| 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 | 33.1 | Very low | 48.8 | Very low | 238 Ų | 238 | 122.1 Ų | 122.1 | 100% | 1.172 | 63% | 0.631 | S | S | * | * | 0 | 132.1 | 0 | -81.2 | 179.2 | 179.2 | 0 | 0 | 106.7 | D3 | M1-D3 PolarHBondContact O-N 3.08Š| |||
| 2 | T | 37 | Very low | 48.3 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 66% | 0.656 | 66% | 0.659 | S | S | * | * | trans | -73.6 | 116.4 | -167.7 | 21.7 | 0 | 0 | 0 | 0 | 112.6 | S4 K5 | T2-S4 PolarHBondContact O-N 3.08Å; T2-S4 VanDerWaalsContact O-N 3.07Å; T2-K5 PolarHBondContact O-N 3.11Å | ||
| 3 | D | 45.2 | Very low | 49.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 56% | 0.556 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -63.5 | -7.6 | 177.3 | -70.1 | -44.9 | 0 | 0 | 0 | 114 | M1 K5 Y6 | M1-D3 PolarHBondContact O-N 3.08Å; D3-K5 PolarHBondContact O-N 3.21Å; D3-K5 VanDerWaalsContact O-N 3.1Å; D3-Y6 HydrophobicContact CB-CD2 4.46Å; D3-Y6 WeakPolarHBondContact O-CD2 3.49Å; D3-Y6 PolarHBondContact O-N 3.29Å |
| 4 | S | 47.4 | Very low | 50.7 | Low | 85 Ų | 85 | 118.1 Ų | 118.1 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -62.1 | -14.4 | 174.8 | -50 | 0 | 0 | 0 | 0 | 114.5 | T2 | T2-S4 PolarHBondContact O-N 3.08Å; T2-S4 VanDerWaalsContact O-N 3.07Å |
| 5 | K | 54.8 | Low | 52 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 70% | 0.7 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -71.2 | -27 | 177.6 | -79.4 | -174.4 | 177 | -179 | 0 | 113.6 | T2 D3 T8 | T2-K5 PolarHBondContact O-N 3.11Å; D3-K5 PolarHBondContact O-N 3.21Å; D3-K5 VanDerWaalsContact O-N 3.1Å; K5-T8 PolarHBondContact O-OG1 3.14Å; K5-T8 VanDerWaalsContact O-OG1 3.08Å |
| 6 | Y | 54.6 | Low | 53.2 | Low | 47 Ų | 47 | 118.9 Ų | 118.9 | 18% | 0.184 | 61% | 0.611 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | -22.8 | -176 | -56.9 | -72.5 | 0 | 0 | 0 | 113.3 | D3 E32 K35 K36 | D3-Y6 HydrophobicContact CB-CD2 4.46Å; D3-Y6 WeakPolarHBondContact O-CD2 3.49Å; D3-Y6 PolarHBondContact O-N 3.29Å; Y6-E32 WeakPolarHBondContact CE1-OE2 3.38Å; Y6-E32 VanDerWaalsContact OH-CD 3.23Å; Y6-E32 PolarHBondContact OH-OE1 3.49Å; Y6-E32 PolarHBondContact OH-OE2 3.39Å; Y6-K35 HydrophobicContact CE1-CB 4.4Å; Y6-K36 HydrophobicContact CD1-CG 3.79Å; Y6-K36 HydrophobicContact CE1-CG 4.31Å |
| 7 | F | 54.8 | Low | 54.4 | Low | 120 Ų | 120 | 118.8 Ų | 118.8 | 53% | 0.526 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -0 | -174.8 | -65.1 | -86.3 | 0 | 0 | 0 | 114.7 | A39 T42 V43 | F7-A39 HydrophobicContact CE1-CB 4.43Å; F7-T42 WeakPolarHBondContact CE1-OG1 3.4Å; F7-V43 HydrophobicContact CD1-CG2 4.22Å |
| 8 | T | 51.9 | Low | 55.6 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 66% | 0.663 | 58% | 0.578 | S | S | * | * | trans | -103.2 | 5.1 | -170.1 | 49.1 | 0 | 0 | 0 | 0 | 115 | K5 | K5-T8 PolarHBondContact O-OG1 3.14Å; K5-T8 VanDerWaalsContact O-OG1 3.08Å | ||
| 9 | T | 53.2 | Low | 56.7 | Low | 72 Ų | 72 | 111.5 Ų | 111.5 | 44% | 0.442 | 57% | 0.567 | S | S | . | * | trans | -105.6 | 110.6 | -169.9 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | E14 K45 | T9-E14 VanDerWaalsContact CB-OE1 3.3Å; T9-E14 WeakPolarHBondContact CB-OE1 3.49Å; T9-K45 PolarHBondContact O-NZ 3.28Å | ||
| 10 | N | 49 | Very low | 57.7 | Low | 133 Ų | 133 | 109 Ų | 109 | 71% | 0.711 | 56% | 0.564 | S | S | * | * | trans | -126.5 | 55.2 | 177.8 | -88.5 | -15.9 | 0 | 0 | 0 | 110.5 | E14 K45 | N10-E14 PolarHBondContact N-OE1 3.13Å; N10-K45 WeakPolarHBondContact OD1-CE 3.47Å; N10-K45 PolarHBondContact OD1-NZ 3.21Å | ||
| 11 | K | 55.4 | Low | 58.7 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 73% | 0.73 | 55% | 0.546 | S | S | * | . | trans | -102.2 | 135.7 | 174.6 | -72.8 | -176 | 177.6 | 178.7 | 0 | 111.5 | G13 E14 | K11-G13 PolarHBondContact O-N 2.89Å; K11-E14 WeakPolarHBondContact CA-OE1 3.23Å; K11-E14 HydrophobicContact CB-CG 4.2Å; K11-E14 WeakPolarHBondContact CB-OE1 2.95Å; K11-E14 PolarHBondContact N-OE1 2.72Å; K11-E14 VanDerWaalsContact O-CD 3.24Å; K11-E14 VanDerWaalsContact O-CG 3.28Å; K11-E14 WeakPolarHBondContact O-CG 3.37Å | ||
| 12 | K | 43.6 | Very low | 60.7 | Low | 223 Ų | 223 | 94.4 Ų | 94.4 | 97% | 0.97 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 119 | 168.4 | -72 | 180 | 175.8 | 179.8 | 0 | 108.9 | ||
| 13 | G | 60.6 | Low | 62.6 | Low | 56 Ų | 56 | 93.5 Ų | 93.5 | 58% | 0.577 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.9 | -8.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K11 I15 F16 E17 | K11-G13 PolarHBondContact O-N 2.89Å; G13-I15 VanDerWaalsContact C-N 3.34Å; G13-I15 PolarHBondContact O-N 3.29Å; G13-F16 PolarHBondContact O-N 2.95Å; G13-E17 PolarHBondContact O-N 2.66Å |
| 14 | E | 69.6 | Low | 64.1 | Low | 32 Ų | 32 | 90.9 Ų | 90.9 | 15% | 0.15 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58.5 | -36.4 | -175.3 | -75.7 | 165.1 | 178.6 | 0 | 0 | 114.2 | T9 N10 K11 F16 E17 L18 K45 | T9-E14 VanDerWaalsContact CB-OE1 3.3Å; T9-E14 WeakPolarHBondContact CB-OE1 3.49Å; N10-E14 PolarHBondContact N-OE1 3.13Å; K11-E14 WeakPolarHBondContact CA-OE1 3.23Å; K11-E14 HydrophobicContact CB-CG 4.2Å; K11-E14 WeakPolarHBondContact CB-OE1 2.95Å; K11-E14 PolarHBondContact N-OE1 2.72Å; K11-E14 VanDerWaalsContact O-CD 3.24Å; K11-E14 VanDerWaalsContact O-CG 3.28Å; K11-E14 WeakPolarHBondContact O-CG 3.37Å; E14-F16 VanDerWaalsContact C-N 3.28Å; E14-F16 PolarHBondContact O-N 3.5Å; E14-E17 PolarHBondContact O-N 3.05Å; E14-L18 WeakPolarHBondContact O-CB 3.45Å; E14-L18 VanDerWaalsContact O-CG 3.22Å; E14-L18 WeakPolarHBondContact O-CG 3.45Å; E14-L18 PolarHBondContact O-N 3.1Å; E14-K45 IonicContact OE2-NZ 2.78Å; E14-K45 PolarHBondContact OE2-NZ 2.71Å; E14-K45 VanDerWaalsContact OE2-NZ 3.07Å |
| 15 | I | 69.5 | Low | 65 | Low | 76 Ų | 76 | 95.7 Ų | 95.7 | 39% | 0.39 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | -178.3 | -60.9 | 174.9 | 0 | 0 | 0 | 111.3 | G13 K19 S49 L50 | G13-I15 VanDerWaalsContact C-N 3.34Å; G13-I15 PolarHBondContact O-N 3.29Å; I15-K19 WeakPolarHBondContact O-CB 3.41Å; I15-K19 PolarHBondContact O-N 3.46Å; I15-S49 WeakPolarHBondContact CG2-OG 3.38Å; I15-L50 HydrophobicContact CG2-CD1 4.41Å; I15-L50 HydrophobicContact CG2-CD2 3.95Å; I15-L50 HydrophobicContact CG2-CG 4.13Å |
| 16 | F | 71.1 | Confident | 66.1 | Low | 172 Ų | 172 | 94.5 Ų | 94.5 | 75% | 0.754 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -73.1 | -37.2 | 179.1 | -168.3 | -92.8 | 0 | 0 | 0 | 111.9 | G13 E14 K19 A20 | G13-F16 PolarHBondContact O-N 2.95Å; E14-F16 VanDerWaalsContact C-N 3.28Å; E14-F16 PolarHBondContact O-N 3.5Å; F16-K19 PolarHBondContact O-N 3.23Å; F16-A20 PolarHBondContact O-N 3.21Å; F16-A20 VanDerWaalsContact O-N 3.15Å |
| 17 | E | 74.9 | Confident | 66.9 | Low | 118 Ų | 118 | 98.6 Ų | 98.6 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.8 | -44.5 | 174.1 | -170.5 | 172.9 | -168.6 | 0 | 0 | 110.9 | G13 E14 K19 A20 E21 | G13-E17 PolarHBondContact O-N 2.66Å; E14-E17 PolarHBondContact O-N 3.05Å; E17-K19 VanDerWaalsContact C-N 3.34Å; E17-K19 PolarHBondContact O-N 2.9Å; E17-A20 PolarHBondContact O-N 3.48Å; E17-A20 VanDerWaalsContact O-N 3.16Å; E17-E21 WeakPolarHBondContact O-CG 3.25Å; E17-E21 PolarHBondContact O-N 3.3Å |
| 18 | L | 75.6 | Confident | 67.8 | Low | 15 Ų | 15 | 98.8 Ų | 98.8 | 8% | 0.079 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 174.9 | -69.9 | 171.3 | 0 | 0 | 0 | 112 | E14 A20 E21 L22 K36 V37 L50 | E14-L18 WeakPolarHBondContact O-CB 3.45Å; E14-L18 VanDerWaalsContact O-CG 3.22Å; E14-L18 WeakPolarHBondContact O-CG 3.45Å; E14-L18 PolarHBondContact O-N 3.1Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-A20 PolarHBondContact O-N 3.42Å; L18-E21 PolarHBondContact O-N 2.97Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 2.9Å; L18-K36 HydrophobicContact CD2-CB 3.52Å; L18-K36 HydrophobicContact CD2-CD 3.66Å; L18-K36 HydrophobicContact CD2-CG 4.27Å; L18-V37 HydrophobicContact CB-CG2 4.45Å; L18-V37 HydrophobicContact CD1-CG2 4.19Å; L18-V37 HydrophobicContact CD2-CG2 4.43Å; L18-L50 HydrophobicContact CB-CD1 3.92Å; L18-L50 HydrophobicContact CD1-CD1 4.25Å |
| 19 | K | 76.9 | Confident | 69 | Low | 84 Ų | 84 | 98.5 Ų | 98.5 | 37% | 0.365 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 175.2 | -169.8 | 160.4 | -175.6 | 145.4 | 0 | 112.7 | I15 F16 E17 N23 L50 D53 | I15-K19 WeakPolarHBondContact O-CB 3.41Å; I15-K19 PolarHBondContact O-N 3.46Å; F16-K19 PolarHBondContact O-N 3.23Å; E17-K19 VanDerWaalsContact C-N 3.34Å; E17-K19 PolarHBondContact O-N 2.9Å; K19-N23 PolarHBondContact O-N 3.42Å; K19-N23 PolarHBondContact O-ND2 3.5Å; K19-L50 HydrophobicContact CB-CD2 3.67Å; K19-L50 HydrophobicContact CD-CD2 4.37Å; K19-L50 HydrophobicContact CG-CD2 4.23Å; K19-D53 WeakPolarHBondContact CE-OD2 3.29Å; K19-D53 IonicContact NZ-OD2 2.55Å; K19-D53 PolarHBondContact NZ-OD2 3.27Å |
| 20 | A | 76.3 | Confident | 70.2 | Confident | 61 Ų | 61 | 97.8 Ų | 97.8 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.4 | -34.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F16 E17 L18 | F16-A20 PolarHBondContact O-N 3.21Å; F16-A20 VanDerWaalsContact O-N 3.15Å; E17-A20 PolarHBondContact O-N 3.48Å; E17-A20 VanDerWaalsContact O-N 3.16Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-A20 PolarHBondContact O-N 3.42Å |
| 21 | E | 78 | Confident | 71.5 | Confident | 39 Ų | 39 | 93.1 Ų | 93.1 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -72.9 | -34.9 | 176.5 | -68.1 | -174.6 | 157 | 0 | 0 | 112.8 | E17 L18 N24 A33 K36 | E17-E21 WeakPolarHBondContact O-CG 3.25Å; E17-E21 PolarHBondContact O-N 3.3Å; L18-E21 PolarHBondContact O-N 2.97Å; E21-N24 WeakPolarHBondContact O-CB 3.34Å; E21-N24 PolarHBondContact O-N 2.84Å; E21-A33 HydrophobicContact CB-CB 3.65Å; E21-K36 IonicContact OE1-NZ 2.79Å; E21-K36 PolarHBondContact OE1-NZ 3.25Å; E21-K36 VanDerWaalsContact OE1-NZ 3.11Å; E21-K36 IonicContact OE2-NZ 2.74Å; E21-K36 PolarHBondContact OE2-NZ 2.99Å |
| 22 | L | 75.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 88.1 Ų | 88.1 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 175.7 | -74 | 169 | 0 | 0 | 0 | 112.1 | L18 N24 R30 A33 V34 V37 L50 D53 V54 | L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 2.9Å; L22-N24 PolarHBondContact O-N 2.78Å; L22-R30 PolarHBondContact O-NE 3.46Å; L22-A33 HydrophobicContact CD2-CB 3.82Å; L22-A33 HydrophobicContact CG-CB 3.97Å; L22-V34 HydrophobicContact CD2-CG2 3.45Å; L22-V34 VanDerWaalsContact CD2-CG2 3.45Å; L22-V37 HydrophobicContact CD1-CG2 4.26Å; L22-L50 HydrophobicContact CD1-CB 4.16Å; L22-L50 HydrophobicContact CD1-CD1 4.36Å; L22-L50 HydrophobicContact CD1-CD2 4.35Å; L22-D53 HydrophobicContact CB-CB 4.18Å; L22-D53 HydrophobicContact CD1-CB 3.99Å; L22-V54 HydrophobicContact CD1-CG2 3.87Å; L22-V54 HydrophobicContact CD2-CG2 4.32Å |
| 23 | N | 76.4 | Confident | 74.4 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 10.3 | 178.4 | -70.5 | -48 | 0 | 0 | 0 | 113.8 | K19 D53 | K19-N23 PolarHBondContact O-N 3.42Å; K19-N23 PolarHBondContact O-ND2 3.5Å; N23-D53 PolarHBondContact ND2-OD1 3.48Å; N23-D53 PolarHBondContact OD1-OD1 3.24Å |
| 24 | N | 77.8 | Confident | 75.3 | Confident | 49 Ų | 49 | 74.9 Ų | 74.9 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | trans | -75.5 | 145.8 | 178.4 | -156.2 | -64.4 | 0 | 0 | 0 | 111.8 | E21 L22 K26 K29 R30 | E21-N24 WeakPolarHBondContact O-CB 3.34Å; E21-N24 PolarHBondContact O-N 2.84Å; L22-N24 PolarHBondContact O-N 2.78Å; N24-K26 VanDerWaalsContact C-N 3.27Å; N24-K26 PolarHBondContact O-N 2.83Å; N24-K26 PolarHBondContact OD1-N 2.58Å; N24-K29 HydrophobicContact CB-CB 4.33Å; N24-R30 PolarHBondContact O-NH2 2.93Å | ||
| 25 | E | 66.4 | Low | 75.9 | Confident | 185 Ų | 185 | 75.4 Ų | 75.4 | 86% | 0.864 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -68.3 | -23.9 | 174.5 | -69.6 | -177.5 | 161.8 | 0 | 0 | 112.8 | K27 | E25-K27 PolarHBondContact O-N 3.19Š|
| 26 | K | 76.3 | Confident | 76.4 | Confident | 136 Ų | 136 | 74.8 Ų | 74.8 | 59% | 0.591 | 35% | 0.351 | S | S | * | . | trans | -79.4 | 117 | -179.5 | -70.4 | -173.9 | 179.2 | -178 | 0 | 112.2 | N24 E28 K29 R30 | N24-K26 VanDerWaalsContact C-N 3.27Å; N24-K26 PolarHBondContact O-N 2.83Å; N24-K26 PolarHBondContact OD1-N 2.58Å; K26-E28 VanDerWaalsContact C-N 3.33Å; K26-E28 PolarHBondContact O-N 3.22Å; K26-K29 HydrophobicContact CB-CB 4.29Å; K26-K29 HydrophobicContact CB-CD 4.44Å; K26-K29 HydrophobicContact CB-CG 4.2Å; K26-K29 PolarHBondContact O-N 2.94Å; K26-K29 VanDerWaalsContact O-N 3.08Å; K26-R30 PolarHBondContact O-N 2.64Å | ||
| 27 | K | 72.4 | Confident | 76.8 | Confident | 134 Ų | 134 | 66.6 Ų | 66.6 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -53 | -41.8 | 178.4 | -63.2 | -175.1 | 178.7 | -174.2 | 0 | 113.9 | E25 K29 R30 K31 | E25-K27 PolarHBondContact O-N 3.19Å; K27-K29 PolarHBondContact O-N 2.89Å; K27-R30 PolarHBondContact O-N 2.93Å; K27-K31 PolarHBondContact O-N 2.89Å; K27-K31 VanDerWaalsContact O-N 3.08Å |
| 28 | E | 73.7 | Confident | 77 | Confident | 124 Ų | 124 | 61.9 Ų | 61.9 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 178.1 | -67.9 | -55.6 | 136.4 | 0 | 0 | 112.8 | K26 K31 E32 | K26-E28 VanDerWaalsContact C-N 3.33Å; K26-E28 PolarHBondContact O-N 3.22Å; E28-K31 PolarHBondContact O-N 3.35Å; E28-E32 VanDerWaalsContact O-CG 3.29Å; E28-E32 WeakPolarHBondContact O-CG 3.33Å; E28-E32 PolarHBondContact O-N 2.85Å |
| 29 | K | 76.6 | Confident | 77.2 | Confident | 102 Ų | 102 | 61.5 Ų | 61.5 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 178.7 | -72 | -167.2 | 169.6 | -163.9 | 0 | 111.9 | N24 K26 K27 E32 A33 | N24-K29 HydrophobicContact CB-CB 4.33Å; K26-K29 HydrophobicContact CB-CB 4.29Å; K26-K29 HydrophobicContact CB-CD 4.44Å; K26-K29 HydrophobicContact CB-CG 4.2Å; K26-K29 PolarHBondContact O-N 2.94Å; K26-K29 VanDerWaalsContact O-N 3.08Å; K27-K29 PolarHBondContact O-N 2.89Å; K29-E32 PolarHBondContact O-N 3.07Å; K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.4Å; K29-A33 PolarHBondContact O-N 2.9Å |
| 30 | R | 77.6 | Confident | 77.2 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 174.7 | -171.1 | -179.3 | -67.7 | 173.5 | 8.1 | 111.6 | L22 N24 K26 K27 A33 V34 C57 L65 | L22-R30 PolarHBondContact O-NE 3.46Å; N24-R30 PolarHBondContact O-NH2 2.93Å; K26-R30 PolarHBondContact O-N 2.64Å; K27-R30 PolarHBondContact O-N 2.93Å; R30-A33 PolarHBondContact O-N 3.5Å; R30-V34 WeakPolarHBondContact O-CG2 3.22Å; R30-V34 PolarHBondContact O-N 3.48Å; R30-C57 WeakPolarHBondContact CD-SG 3.44Å; R30-C57 HydrophobicContact CG-CB 4.18Å; R30-C57 WeakPolarHBondContact CG-SG 3.35Å; R30-L65 HydrophobicContact CG-CD2 3.97Å |
| 31 | K | 77.3 | Confident | 77.2 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 15% | 0.148 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 175.4 | 175.8 | 177.7 | 161.1 | 171.8 | 0 | 112 | K27 E28 A33 V34 K35 E64 | K27-K31 PolarHBondContact O-N 2.89Å; K27-K31 VanDerWaalsContact O-N 3.08Å; E28-K31 PolarHBondContact O-N 3.35Å; K31-A33 VanDerWaalsContact C-N 3.34Å; K31-A33 PolarHBondContact O-N 3.12Å; K31-V34 PolarHBondContact O-N 3.41Å; K31-K35 WeakPolarHBondContact O-CG 3.37Å; K31-K35 PolarHBondContact O-N 3.33Å; K31-E64 WeakPolarHBondContact CE-OE1 3.2Å; K31-E64 WeakPolarHBondContact CE-OE2 3.27Å; K31-E64 VanDerWaalsContact NZ-CD 3.32Å; K31-E64 IonicContact NZ-OE1 3.3Å; K31-E64 PolarHBondContact NZ-OE1 3.38Å; K31-E64 IonicContact NZ-OE2 2.62Å; K31-E64 PolarHBondContact NZ-OE2 2.94Å |
| 32 | E | 79.4 | Confident | 77.1 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 176.3 | -71 | -68.8 | 124.9 | 0 | 0 | 112 | Y6 E28 K29 K35 K36 | Y6-E32 WeakPolarHBondContact CE1-OE2 3.38Å; Y6-E32 VanDerWaalsContact OH-CD 3.23Å; Y6-E32 PolarHBondContact OH-OE1 3.49Å; Y6-E32 PolarHBondContact OH-OE2 3.39Å; E28-E32 VanDerWaalsContact O-CG 3.29Å; E28-E32 WeakPolarHBondContact O-CG 3.33Å; E28-E32 PolarHBondContact O-N 2.85Å; K29-E32 PolarHBondContact O-N 3.07Å; E32-K35 PolarHBondContact O-N 3.46Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.49Å |
| 33 | A | 80.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E21 L22 K29 R30 K31 K35 K36 V37 | E21-A33 HydrophobicContact CB-CB 3.65Å; L22-A33 HydrophobicContact CD2-CB 3.82Å; L22-A33 HydrophobicContact CG-CB 3.97Å; K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.4Å; K29-A33 PolarHBondContact O-N 2.9Å; R30-A33 PolarHBondContact O-N 3.5Å; K31-A33 VanDerWaalsContact C-N 3.34Å; K31-A33 PolarHBondContact O-N 3.12Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.23Å; A33-K36 WeakPolarHBondContact O-CB 3.4Å; A33-K36 PolarHBondContact O-N 2.95Å; A33-V37 VanDerWaalsContact O-CG2 3.31Å; A33-V37 WeakPolarHBondContact O-CG2 3.27Å; A33-V37 PolarHBondContact O-N 3.39Å |
| 34 | V | 79.4 | Confident | 77 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | L22 R30 K31 K36 V37 I38 L65 L68 | L22-V34 HydrophobicContact CD2-CG2 3.45Å; L22-V34 VanDerWaalsContact CD2-CG2 3.45Å; R30-V34 WeakPolarHBondContact O-CG2 3.22Å; R30-V34 PolarHBondContact O-N 3.48Å; K31-V34 PolarHBondContact O-N 3.41Å; V34-K36 PolarHBondContact O-N 3.17Å; V34-V37 WeakPolarHBondContact O-CB 3.43Å; V34-V37 PolarHBondContact O-N 3Å; V34-I38 HydrophobicContact CG1-CG1 4.4Å; V34-I38 WeakPolarHBondContact O-CG1 3.44Å; V34-I38 PolarHBondContact O-N 3.49Å; V34-L65 HydrophobicContact CB-CD1 3.87Å; V34-L65 HydrophobicContact CG1-CD1 4.25Å; V34-L65 HydrophobicContact CG2-CD1 3.61Å; V34-L68 HydrophobicContact CG1-CB 3.46Å; V34-L68 VanDerWaalsContact CG1-CB 3.46Å; V34-L68 HydrophobicContact CG1-CD1 4.17Å; V34-L68 HydrophobicContact CG1-CG 4.42Å |
| 35 | K | 81.4 | Confident | 77 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 19% | 0.191 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 173.8 | -73.3 | -179.6 | 179.7 | -169.6 | 0 | 112.5 | Y6 K31 E32 A33 I38 A39 E64 L68 | Y6-K35 HydrophobicContact CE1-CB 4.4Å; K31-K35 WeakPolarHBondContact O-CG 3.37Å; K31-K35 PolarHBondContact O-N 3.33Å; E32-K35 PolarHBondContact O-N 3.46Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.23Å; K35-I38 PolarHBondContact O-N 2.63Å; K35-A39 WeakPolarHBondContact O-CB 3.48Å; K35-A39 PolarHBondContact O-N 2.96Å; K35-E64 WeakPolarHBondContact CE-OE1 3.24Å; K35-E64 IonicContact NZ-OE1 3.4Å; K35-E64 PolarHBondContact NZ-OE1 2.88Å; K35-E64 VanDerWaalsContact NZ-OE1 3.14Å; K35-L68 HydrophobicContact CG-CD1 3.82Å |
| 36 | K | 80.8 | Confident | 77.2 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 27% | 0.274 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 174.1 | -68.2 | 172 | -171 | 174.1 | 0 | 112.1 | Y6 L18 E21 E32 A33 V34 A39 A40 | Y6-K36 HydrophobicContact CD1-CG 3.79Å; Y6-K36 HydrophobicContact CE1-CG 4.31Å; L18-K36 HydrophobicContact CD2-CB 3.52Å; L18-K36 HydrophobicContact CD2-CD 3.66Å; L18-K36 HydrophobicContact CD2-CG 4.27Å; E21-K36 IonicContact OE1-NZ 2.79Å; E21-K36 PolarHBondContact OE1-NZ 3.25Å; E21-K36 VanDerWaalsContact OE1-NZ 3.11Å; E21-K36 IonicContact OE2-NZ 2.74Å; E21-K36 PolarHBondContact OE2-NZ 2.99Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.49Å; A33-K36 WeakPolarHBondContact O-CB 3.4Å; A33-K36 PolarHBondContact O-N 2.95Å; V34-K36 PolarHBondContact O-N 3.17Å; K36-A39 PolarHBondContact O-N 2.78Å; K36-A40 WeakPolarHBondContact O-CB 3.21Å; K36-A40 PolarHBondContact O-N 3.33Å |
| 37 | V | 80.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | L18 L22 A33 V34 A40 M41 V47 L50 V54 Y72 | L18-V37 HydrophobicContact CB-CG2 4.45Å; L18-V37 HydrophobicContact CD1-CG2 4.19Å; L18-V37 HydrophobicContact CD2-CG2 4.43Å; L22-V37 HydrophobicContact CD1-CG2 4.26Å; A33-V37 VanDerWaalsContact O-CG2 3.31Å; A33-V37 WeakPolarHBondContact O-CG2 3.27Å; A33-V37 PolarHBondContact O-N 3.39Å; V34-V37 WeakPolarHBondContact O-CB 3.43Å; V34-V37 PolarHBondContact O-N 3Å; V37-A40 PolarHBondContact O-N 2.88Å; V37-M41 WeakPolarHBondContact O-CB 3.16Å; V37-M41 PolarHBondContact O-N 2.94Å; V37-V47 HydrophobicContact CG1-CB 4.27Å; V37-V47 HydrophobicContact CG1-CG2 4Å; V37-L50 HydrophobicContact CG2-CD1 3.67Å; V37-V54 HydrophobicContact CG1-CG2 4.38Å; V37-Y72 HydrophobicContact CG1-CD2 3.58Å; V37-Y72 HydrophobicContact CG1-CE2 3.52Å |
| 38 | I | 79.1 | Confident | 77.2 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 174.9 | -64.6 | -61.9 | 0 | 0 | 0 | 111.3 | V34 K35 M41 T42 L68 L71 | V34-I38 HydrophobicContact CG1-CG1 4.4Å; V34-I38 WeakPolarHBondContact O-CG1 3.44Å; V34-I38 PolarHBondContact O-N 3.49Å; K35-I38 PolarHBondContact O-N 2.63Å; I38-M41 HydrophobicContact CD1-CE 3.7Å; I38-M41 HydrophobicContact CD1-SD 4.34Å; I38-M41 HydrophobicContact CG2-CE 4.37Å; I38-M41 WeakPolarHBondContact O-CB 3.29Å; I38-M41 PolarHBondContact O-N 3.13Å; I38-T42 WeakPolarHBondContact O-CG2 3.21Å; I38-T42 PolarHBondContact O-N 2.83Å; I38-T42 PolarHBondContact O-OG1 3.22Å; I38-L68 HydrophobicContact CG1-CD2 4.3Å; I38-L71 HydrophobicContact CD1-CB 4.2Å; I38-L71 HydrophobicContact CD1-CD2 4.29Å; I38-L71 HydrophobicContact CD1-CG 4.26Å; I38-L71 HydrophobicContact CG2-CD2 3.88Å |
| 39 | A | 78.8 | Confident | 77.2 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F7 K35 K36 M41 T42 V43 | F7-A39 HydrophobicContact CE1-CB 4.43Å; K35-A39 WeakPolarHBondContact O-CB 3.48Å; K35-A39 PolarHBondContact O-N 2.96Å; K36-A39 PolarHBondContact O-N 2.78Å; A39-M41 VanDerWaalsContact C-N 3.29Å; A39-M41 PolarHBondContact O-N 3.46Å; A39-T42 WeakPolarHBondContact CA-OG1 3.31Å; A39-T42 PolarHBondContact O-N 3.05Å; A39-T42 PolarHBondContact O-OG1 2.87Å; A39-V43 VanDerWaalsContact O-CG2 3.23Å; A39-V43 WeakPolarHBondContact O-CG2 3.38Å; A39-V43 PolarHBondContact O-N 2.82Å |
| 40 | A | 76.6 | Confident | 77.2 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 12% | 0.116 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K36 V37 V43 G44 K45 V47 | K36-A40 WeakPolarHBondContact O-CB 3.21Å; K36-A40 PolarHBondContact O-N 3.33Å; V37-A40 PolarHBondContact O-N 2.88Å; A40-V43 PolarHBondContact O-N 2.87Å; A40-G44 PolarHBondContact O-N 2.86Å; A40-K45 HydrophobicContact CB-CB 4.35Å; A40-K45 HydrophobicContact CB-CD 4.39Å; A40-K45 WeakPolarHBondContact O-CB 3.47Å; A40-K45 PolarHBondContact O-N 3.07Å; A40-V47 HydrophobicContact CB-CG1 3.77Å |
| 41 | M | 77.1 | Confident | 76.9 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.5 | -174.1 | -177.3 | 77.4 | 0 | 0 | 112.4 | V37 I38 A39 V43 G44 V47 L71 Y72 N75 Y76 | V37-M41 WeakPolarHBondContact O-CB 3.16Å; V37-M41 PolarHBondContact O-N 2.94Å; I38-M41 HydrophobicContact CD1-CE 3.7Å; I38-M41 HydrophobicContact CD1-SD 4.34Å; I38-M41 HydrophobicContact CG2-CE 4.37Å; I38-M41 WeakPolarHBondContact O-CB 3.29Å; I38-M41 PolarHBondContact O-N 3.13Å; A39-M41 VanDerWaalsContact C-N 3.29Å; A39-M41 PolarHBondContact O-N 3.46Å; M41-V43 VanDerWaalsContact C-N 3.28Å; M41-V43 PolarHBondContact O-N 2.83Å; M41-G44 PolarHBondContact O-N 3.21Å; M41-V47 HydrophobicContact CB-CG2 4.19Å; M41-L71 HydrophobicContact CE-CG 4.16Å; M41-Y72 HydrophobicContact SD-CD2 4.24Å; M41-N75 HydrophobicContact CE-CB 4.22Å; M41-N75 HydrophobicContact CG-CB 4.46Å; M41-N75 WeakPolarHBondContact CG-ND2 3.36Å; M41-N75 HydrophobicContact SD-CB 3.55Å; M41-N75 VanDerWaalsContact SD-CB 3.55Å; M41-N75 PolarHBondContact SD-ND2 3.4Å; M41-Y76 HydrophobicContact CG-CE2 4.11Å; M41-Y76 HydrophobicContact SD-CD2 4.3Å; M41-Y76 HydrophobicContact SD-CE2 3.97Å |
| 42 | T | 76.5 | Confident | 76.7 | Confident | 89 Ų | 89 | 38 Ų | 38 | 55% | 0.546 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69 | -25.2 | 178.1 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | F7 I38 A39 | F7-T42 WeakPolarHBondContact CE1-OG1 3.4Å; I38-T42 WeakPolarHBondContact O-CG2 3.21Å; I38-T42 PolarHBondContact O-N 2.83Å; I38-T42 PolarHBondContact O-OG1 3.22Å; A39-T42 WeakPolarHBondContact CA-OG1 3.31Å; A39-T42 PolarHBondContact O-N 3.05Å; A39-T42 PolarHBondContact O-OG1 2.87Å |
| 43 | V | 78.3 | Confident | 76.5 | Confident | 81 Ų | 81 | 35.6 Ų | 35.6 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.9 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 112 | F7 A39 A40 M41 | F7-V43 HydrophobicContact CD1-CG2 4.22Å; A39-V43 VanDerWaalsContact O-CG2 3.23Å; A39-V43 WeakPolarHBondContact O-CG2 3.38Å; A39-V43 PolarHBondContact O-N 2.82Å; A40-V43 PolarHBondContact O-N 2.87Å; M41-V43 VanDerWaalsContact C-N 3.28Å; M41-V43 PolarHBondContact O-N 2.83Å |
| 44 | G | 72 | Confident | 76.3 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 19.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A40 M41 | A40-G44 PolarHBondContact O-N 2.86Å; M41-G44 PolarHBondContact O-N 3.21Å |
| 45 | K | 76.3 | Confident | 75.8 | Confident | 66 Ų | 66 | 37.1 Ų | 37.1 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | trans | -79.2 | 140.7 | 171.8 | -67.6 | -178.2 | 177.9 | 170.5 | 0 | 110.3 | T9 N10 E14 A40 V47 | T9-K45 PolarHBondContact O-NZ 3.28Å; N10-K45 WeakPolarHBondContact OD1-CE 3.47Å; N10-K45 PolarHBondContact OD1-NZ 3.21Å; E14-K45 IonicContact OE2-NZ 2.78Å; E14-K45 PolarHBondContact OE2-NZ 2.71Å; E14-K45 VanDerWaalsContact OE2-NZ 3.07Å; A40-K45 HydrophobicContact CB-CB 4.35Å; A40-K45 HydrophobicContact CB-CD 4.39Å; A40-K45 WeakPolarHBondContact O-CB 3.47Å; A40-K45 PolarHBondContact O-N 3.07Å; K45-V47 PolarHBondContact O-N 3.12Å | ||
| 46 | D | 71.9 | Confident | 75.4 | Confident | 104 Ų | 104 | 39.6 Ų | 39.6 | 56% | 0.556 | 24% | 0.243 | S | C | * | . | trans | -73.5 | 108 | 174.7 | -174.1 | 13.2 | 0 | 0 | 0 | 111.5 | S48 | D46-S48 WeakPolarHBondContact OD1-CB 3.31Å; D46-S48 PolarHBondContact OD1-N 3.12Å; D46-S48 PolarHBondContact OD1-OG 3.02Å; D46-S48 PolarHBondContact OD2-OG 3.24Å | ||
| 47 | V | 77.3 | Confident | 74.8 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | trans | -111.6 | 19.9 | 174.1 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | V37 A40 M41 K45 S49 L50 Y72 Y76 | V37-V47 HydrophobicContact CG1-CB 4.27Å; V37-V47 HydrophobicContact CG1-CG2 4Å; A40-V47 HydrophobicContact CB-CG1 3.77Å; M41-V47 HydrophobicContact CB-CG2 4.19Å; K45-V47 PolarHBondContact O-N 3.12Å; V47-S49 PolarHBondContact O-N 3.16Å; V47-L50 HydrophobicContact CB-CD1 4.27Å; V47-L50 HydrophobicContact CG1-CD1 4.37Å; V47-L50 PolarHBondContact O-N 3.02Å; V47-L50 VanDerWaalsContact O-N 3.15Å; V47-Y72 HydrophobicContact CB-CE2 4.45Å; V47-Y72 HydrophobicContact CG2-CE2 3.77Å; V47-Y72 PolarHBondContact O-OH 2.94Å; V47-Y76 HydrophobicContact CG2-CE2 3.63Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.27Å; V47-Y76 PolarHBondContact N-OH 2.77Å | ||
| 48 | S | 70.9 | Confident | 74 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -57.6 | -32.1 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | D46 L50 F51 | D46-S48 WeakPolarHBondContact OD1-CB 3.31Å; D46-S48 PolarHBondContact OD1-N 3.12Å; D46-S48 PolarHBondContact OD1-OG 3.02Å; D46-S48 PolarHBondContact OD2-OG 3.24Å; S48-L50 PolarHBondContact O-N 3Å; S48-L50 VanDerWaalsContact O-N 3.1Å; S48-F51 VanDerWaalsContact O-CB 3.22Å; S48-F51 WeakPolarHBondContact O-CB 3.38Å; S48-F51 PolarHBondContact O-N 2.8Å; S48-F51 VanDerWaalsContact O-N 3.1Å |
| 49 | S | 74.3 | Confident | 73.4 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 44% | 0.441 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -63.4 | -15.2 | 178 | 63.2 | 0 | 0 | 0 | 0 | 115.1 | I15 V47 | I15-S49 WeakPolarHBondContact CG2-OG 3.38Å; V47-S49 PolarHBondContact O-N 3.16Å |
| 50 | L | 75.9 | Confident | 72.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -93.6 | 0.4 | 178.6 | -58.3 | 177.6 | 0 | 0 | 0 | 112.8 | I15 L18 K19 L22 V37 V47 S48 D53 V54 | I15-L50 HydrophobicContact CG2-CD1 4.41Å; I15-L50 HydrophobicContact CG2-CD2 3.95Å; I15-L50 HydrophobicContact CG2-CG 4.13Å; L18-L50 HydrophobicContact CB-CD1 3.92Å; L18-L50 HydrophobicContact CD1-CD1 4.25Å; K19-L50 HydrophobicContact CB-CD2 3.67Å; K19-L50 HydrophobicContact CD-CD2 4.37Å; K19-L50 HydrophobicContact CG-CD2 4.23Å; L22-L50 HydrophobicContact CD1-CB 4.16Å; L22-L50 HydrophobicContact CD1-CD1 4.36Å; L22-L50 HydrophobicContact CD1-CD2 4.35Å; V37-L50 HydrophobicContact CG2-CD1 3.67Å; V47-L50 HydrophobicContact CB-CD1 4.27Å; V47-L50 HydrophobicContact CG1-CD1 4.37Å; V47-L50 PolarHBondContact O-N 3.02Å; V47-L50 VanDerWaalsContact O-N 3.15Å; S48-L50 PolarHBondContact O-N 3Å; S48-L50 VanDerWaalsContact O-N 3.1Å; L50-D53 WeakPolarHBondContact O-CB 3.5Å; L50-D53 PolarHBondContact O-N 2.95Å; L50-D53 VanDerWaalsContact O-N 3.12Å; L50-V54 HydrophobicContact CB-CG2 4.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.23Å; L50-V54 PolarHBondContact O-N 2.82Å |
| 51 | F | 71.5 | Confident | 72.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.2 | -47.8 | -172 | -164.4 | -71 | 0 | 0 | 0 | 114 | S48 D53 V54 V55 Y72 L73 Y76 Q80 M83 | S48-F51 VanDerWaalsContact O-CB 3.22Å; S48-F51 WeakPolarHBondContact O-CB 3.38Å; S48-F51 PolarHBondContact O-N 2.8Å; S48-F51 VanDerWaalsContact O-N 3.1Å; F51-D53 VanDerWaalsContact C-N 3.27Å; F51-D53 PolarHBondContact O-N 3.48Å; F51-V54 PolarHBondContact O-N 3.01Å; F51-V55 HydrophobicContact CD1-CG2 3.72Å; F51-V55 HydrophobicContact CE1-CG2 3.55Å; F51-V55 HydrophobicContact CZ-CG2 4.44Å; F51-V55 WeakPolarHBondContact O-CG2 3.46Å; F51-V55 PolarHBondContact O-N 3.1Å; F51-Y72 WeakPolarHBondContact CA-OH 3.46Å; F51-Y72 HydrophobicContact CB-CE1 4.14Å; F51-Y72 HydrophobicContact CD2-CD1 4.49Å; F51-Y72 AromaticContact CD2-CE1 3.57Å; F51-Y72 HydrophobicContact CD2-CE1 3.57Å; F51-Y72 HydrophobicContact CE2-CE1 4.26Å; F51-Y72 AromaticContact CG-CE1 3.98Å; F51-Y72 HydrophobicContact CG-CE1 3.98Å; F51-Y72 PolarHBondContact N-OH 2.66Å; F51-L73 HydrophobicContact CE1-CD1 4.11Å; F51-L73 HydrophobicContact CE2-CD1 4.02Å; F51-L73 HydrophobicContact CZ-CD1 3.42Å; F51-L73 VanDerWaalsContact CZ-CD1 3.42Å; F51-Y76 HydrophobicContact CD2-CG 4.42Å; F51-Q80 HydrophobicContact CE2-CB 4.38Å; F51-M83 HydrophobicContact CB-CE 4.43Å; F51-M83 HydrophobicContact CD1-CB 4.14Å; F51-M83 HydrophobicContact CD1-CE 3.46Å; F51-M83 VanDerWaalsContact CD1-CE 3.46Å; F51-M83 HydrophobicContact CD1-SD 4.47Å; F51-M83 HydrophobicContact CE1-CB 3.4Å; F51-M83 VanDerWaalsContact CE1-CB 3.4Å; F51-M83 HydrophobicContact CE1-CE 3.96Å; F51-M83 HydrophobicContact CG-CE 4.17Å; F51-M83 HydrophobicContact CZ-CB 4.02Å |
| 52 | P | 72.8 | Confident | 72.2 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62 | -36.3 | 177.6 | -20.5 | 33 | 0 | 0 | 0 | 112.7 | N56 M83 | P52-N56 VanDerWaalsContact O-CG 3.27Å; P52-N56 PolarHBondContact O-N 2.54Å; P52-N56 PolarHBondContact O-ND2 3.14Å; P52-M83 HydrophobicContact CG-CE 4.28Å |
| 53 | D | 75.5 | Confident | 71.8 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.7 | -37.6 | -178.5 | -55 | -70.6 | 0 | 0 | 0 | 111 | K19 L22 N23 L50 F51 C57 | K19-D53 WeakPolarHBondContact CE-OD2 3.29Å; K19-D53 IonicContact NZ-OD2 2.55Å; K19-D53 PolarHBondContact NZ-OD2 3.27Å; L22-D53 HydrophobicContact CB-CB 4.18Å; L22-D53 HydrophobicContact CD1-CB 3.99Å; N23-D53 PolarHBondContact ND2-OD1 3.48Å; N23-D53 PolarHBondContact OD1-OD1 3.24Å; L50-D53 WeakPolarHBondContact O-CB 3.5Å; L50-D53 PolarHBondContact O-N 2.95Å; L50-D53 VanDerWaalsContact O-N 3.12Å; F51-D53 VanDerWaalsContact C-N 3.27Å; F51-D53 PolarHBondContact O-N 3.48Å; D53-C57 PolarHBondContact O-N 3Å; D53-C57 PolarHBondContact O-SG 3.39Å |
| 54 | V | 75.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.5 | -38.8 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | L22 V37 L50 F51 C57 V69 Y72 | L22-V54 HydrophobicContact CD1-CG2 3.87Å; L22-V54 HydrophobicContact CD2-CG2 4.32Å; V37-V54 HydrophobicContact CG1-CG2 4.38Å; L50-V54 HydrophobicContact CB-CG2 4.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.23Å; L50-V54 PolarHBondContact O-N 2.82Å; F51-V54 PolarHBondContact O-N 3.01Å; V54-C57 VanDerWaalsContact O-CB 3.26Å; V54-C57 WeakPolarHBondContact O-CB 3.46Å; V54-C57 PolarHBondContact O-N 3.22Å; V54-C57 VanDerWaalsContact O-N 3.15Å; V54-V69 HydrophobicContact CG1-CB 4.38Å; V54-V69 HydrophobicContact CG1-CG1 4.18Å; V54-V69 HydrophobicContact CG1-CG2 3.99Å; V54-Y72 HydrophobicContact CB-CD1 4.06Å; V54-Y72 HydrophobicContact CB-CE1 4Å; V54-Y72 HydrophobicContact CG1-CD1 3.57Å; V54-Y72 HydrophobicContact CG1-CE1 4.04Å; V54-Y72 HydrophobicContact CG1-CG 3.89Å; V54-Y72 HydrophobicContact CG2-CD1 4.46Å; V54-Y72 HydrophobicContact CG2-CE1 4.26Å; V54-Y72 HydrophobicContact CG2-CE2 4.46Å |
| 55 | V | 70.4 | Confident | 71.6 | Confident | 32 Ų | 32 | 50 Ų | 50 | 19% | 0.194 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | F51 C57 M58 | F51-V55 HydrophobicContact CD1-CG2 3.72Å; F51-V55 HydrophobicContact CE1-CG2 3.55Å; F51-V55 HydrophobicContact CZ-CG2 4.44Å; F51-V55 WeakPolarHBondContact O-CG2 3.46Å; F51-V55 PolarHBondContact O-N 3.1Å; V55-C57 PolarHBondContact O-N 3.03Å; V55-M58 WeakPolarHBondContact O-CB 3.28Å; V55-M58 PolarHBondContact O-N 3.44Å |
| 56 | N | 72.8 | Confident | 71.4 | Confident | 97 Ų | 97 | 48.2 Ų | 48.2 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -26.1 | 172.7 | -76.5 | -24.5 | 0 | 0 | 0 | 112.9 | P52 M58 | P52-N56 VanDerWaalsContact O-CG 3.27Å; P52-N56 PolarHBondContact O-N 2.54Å; P52-N56 PolarHBondContact O-ND2 3.14Å; N56-M58 PolarHBondContact O-N 2.88Å |
| 57 | C | 68.4 | Low | 71.3 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -69.9 | -7.4 | 173.3 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | R30 D53 V54 V55 T60 V69 | R30-C57 WeakPolarHBondContact CD-SG 3.44Å; R30-C57 HydrophobicContact CG-CB 4.18Å; R30-C57 WeakPolarHBondContact CG-SG 3.35Å; D53-C57 PolarHBondContact O-N 3Å; D53-C57 PolarHBondContact O-SG 3.39Å; V54-C57 VanDerWaalsContact O-CB 3.26Å; V54-C57 WeakPolarHBondContact O-CB 3.46Å; V54-C57 PolarHBondContact O-N 3.22Å; V54-C57 VanDerWaalsContact O-N 3.15Å; V55-C57 PolarHBondContact O-N 3.03Å; C57-T60 WeakPolarHBondContact O-CG2 3.48Å; C57-V69 HydrophobicContact CB-CG2 4.17Å |
| 58 | M | 63.3 | Low | 71.2 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -71.6 | -29.2 | 179.8 | -174.3 | 178.2 | 150.2 | 0 | 0 | 114 | V55 N56 T60 V69 A87 F91 | V55-M58 WeakPolarHBondContact O-CB 3.28Å; V55-M58 PolarHBondContact O-N 3.44Å; N56-M58 PolarHBondContact O-N 2.88Å; M58-T60 PolarHBondContact O-N 2.89Å; M58-V69 HydrophobicContact CB-CG1 4.42Å; M58-A87 HydrophobicContact CE-CB 4.36Å; M58-A87 WeakPolarHBondContact CE-O 3.48Å; M58-A87 HydrophobicContact SD-CB 3.74Å; M58-F91 HydrophobicContact CE-CD1 3.4Å; M58-F91 VanDerWaalsContact CE-CD1 3.4Å; M58-F91 HydrophobicContact CE-CD2 3.88Å; M58-F91 HydrophobicContact CE-CE1 3.14Å; M58-F91 HydrophobicContact CE-CE2 3.62Å; M58-F91 HydrophobicContact CE-CG 3.83Å; M58-F91 HydrophobicContact CE-CZ 3.29Å; M58-F91 HydrophobicContact CG-CE1 3.46Å; M58-F91 VanDerWaalsContact CG-CE1 3.46Å; M58-F91 HydrophobicContact CG-CE2 4.42Å; M58-F91 HydrophobicContact CG-CZ 3.4Å; M58-F91 VanDerWaalsContact CG-CZ 3.4Å; M58-F91 HydrophobicContact SD-CD1 4.42Å; M58-F91 HydrophobicContact SD-CD2 4.47Å; M58-F91 HydrophobicContact SD-CE1 3.62Å; M58-F91 HydrophobicContact SD-CE2 3.65Å; M58-F91 HydrophobicContact SD-CZ 3.19Å; M58-F91 WeakPolarHBondContact SD-CZ 3.41Å |
| 59 | Q | 64.8 | Low | 71.4 | Confident | 181 Ų | 181 | 49.8 Ų | 49.8 | 85% | 0.846 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -73.2 | 17.2 | 179.4 | -65.3 | -176.4 | -5.5 | 0 | 0 | 113.6 | ||
| 60 | T | 69.2 | Low | 71.1 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -94.8 | 147.1 | -179.3 | -167.8 | 0 | 0 | 0 | 0 | 111.4 | C57 M58 N62 L65 K66 | C57-T60 WeakPolarHBondContact O-CG2 3.48Å; M58-T60 PolarHBondContact O-N 2.89Å; T60-N62 HydrophobicContact CG2-CB 4.29Å; T60-N62 PolarHBondContact O-N 2.84Å; T60-L65 HydrophobicContact CG2-CB 3.92Å; T60-L65 HydrophobicContact CG2-CD2 3.65Å; T60-L65 HydrophobicContact CG2-CG 3.88Å; T60-K66 HydrophobicContact CG2-CG 4.42Å; T60-K66 WeakPolarHBondContact O-CE 3.43Å |
| 61 | D | 66.4 | Low | 70.9 | Confident | 146 Ų | 146 | 50.8 Ų | 50.8 | 78% | 0.781 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -77.8 | 2.1 | 175.4 | -44.9 | -48.3 | 0 | 0 | 0 | 113.8 | L63 | D61-L63 PolarHBondContact O-N 3.43Š|
| 62 | N | 72.8 | Confident | 71.2 | Confident | 54 Ų | 54 | 50.9 Ų | 50.9 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | trans | -88.4 | 112.7 | -175.2 | -173.7 | -23.6 | 0 | 0 | 0 | 110.7 | T60 E64 L65 K66 | T60-N62 HydrophobicContact CG2-CB 4.29Å; T60-N62 PolarHBondContact O-N 2.84Å; N62-E64 VanDerWaalsContact C-N 3.33Å; N62-E64 PolarHBondContact O-N 3.46Å; N62-E64 WeakPolarHBondContact OD1-CB 3.46Å; N62-E64 PolarHBondContact OD1-N 2.95Å; N62-L65 HydrophobicContact CB-CB 4.05Å; N62-L65 PolarHBondContact O-N 3.06Å; N62-K66 PolarHBondContact O-N 2.98Å | ||
| 63 | L | 68.2 | Low | 71.1 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.1 | -39 | -179.6 | -173.5 | 61.8 | 0 | 0 | 0 | 113.8 | D61 K66 K67 D96 V99 | D61-L63 PolarHBondContact O-N 3.43Å; L63-K66 PolarHBondContact O-N 3.06Å; L63-K67 WeakPolarHBondContact O-CB 3.42Å; L63-K67 PolarHBondContact O-N 3.43Å; L63-D96 WeakPolarHBondContact CD1-OD2 3.41Å; L63-V99 HydrophobicContact CD1-CG2 4.42Å |
| 64 | E | 72.7 | Confident | 70.7 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 178.9 | -172.2 | -173.8 | 167.6 | 0 | 0 | 110.8 | K31 K35 N62 K67 L68 | K31-E64 WeakPolarHBondContact CE-OE1 3.2Å; K31-E64 WeakPolarHBondContact CE-OE2 3.27Å; K31-E64 VanDerWaalsContact NZ-CD 3.32Å; K31-E64 IonicContact NZ-OE1 3.3Å; K31-E64 PolarHBondContact NZ-OE1 3.38Å; K31-E64 IonicContact NZ-OE2 2.62Å; K31-E64 PolarHBondContact NZ-OE2 2.94Å; K35-E64 WeakPolarHBondContact CE-OE1 3.24Å; K35-E64 IonicContact NZ-OE1 3.4Å; K35-E64 PolarHBondContact NZ-OE1 2.88Å; K35-E64 VanDerWaalsContact NZ-OE1 3.14Å; N62-E64 VanDerWaalsContact C-N 3.33Å; N62-E64 PolarHBondContact O-N 3.46Å; N62-E64 WeakPolarHBondContact OD1-CB 3.46Å; N62-E64 PolarHBondContact OD1-N 2.95Å; E64-K67 WeakPolarHBondContact O-CB 3.06Å; E64-K67 PolarHBondContact O-N 3.07Å; E64-L68 WeakPolarHBondContact O-CG 3.28Å; E64-L68 PolarHBondContact O-N 3.07Å |
| 65 | L | 73.8 | Confident | 70.5 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69 | -42.7 | 178.4 | -172.2 | 54.2 | 0 | 0 | 0 | 110.9 | R30 V34 T60 N62 K67 L68 V69 | R30-L65 HydrophobicContact CG-CD2 3.97Å; V34-L65 HydrophobicContact CB-CD1 3.87Å; V34-L65 HydrophobicContact CG1-CD1 4.25Å; V34-L65 HydrophobicContact CG2-CD1 3.61Å; T60-L65 HydrophobicContact CG2-CB 3.92Å; T60-L65 HydrophobicContact CG2-CD2 3.65Å; T60-L65 HydrophobicContact CG2-CG 3.88Å; N62-L65 HydrophobicContact CB-CB 4.05Å; N62-L65 PolarHBondContact O-N 3.06Å; L65-K67 PolarHBondContact O-N 3.5Å; L65-L68 PolarHBondContact O-N 3.35Å; L65-V69 VanDerWaalsContact O-CG2 3.27Å; L65-V69 WeakPolarHBondContact O-CG2 3.37Å; L65-V69 PolarHBondContact O-N 3.36Å |
| 66 | K | 71.1 | Confident | 70.5 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.2 | -50.4 | 170.4 | -71 | -169.8 | -179.8 | -177.2 | 0 | 110.2 | T60 N62 L63 L68 V69 Y70 D94 V99 | T60-K66 HydrophobicContact CG2-CG 4.42Å; T60-K66 WeakPolarHBondContact O-CE 3.43Å; N62-K66 PolarHBondContact O-N 2.98Å; L63-K66 PolarHBondContact O-N 3.06Å; K66-L68 VanDerWaalsContact C-N 3.32Å; K66-L68 PolarHBondContact O-N 3.38Å; K66-V69 WeakPolarHBondContact O-CB 3.34Å; K66-V69 PolarHBondContact O-N 2.88Å; K66-V69 VanDerWaalsContact O-N 3.11Å; K66-Y70 HydrophobicContact CB-CE2 3.83Å; K66-Y70 WeakPolarHBondContact O-CD2 3.35Å; K66-Y70 WeakPolarHBondContact O-CE2 3.21Å; K66-Y70 PolarHBondContact O-N 3.4Å; K66-D94 IonicContact NZ-OD1 3.67Å; K66-D94 IonicContact NZ-OD2 2.71Å; K66-D94 PolarHBondContact NZ-OD2 3.5Å; K66-V99 HydrophobicContact CD-CG2 3.91Å |
| 67 | K | 70.3 | Confident | 70.1 | Confident | 139 Ų | 139 | 49.7 Ų | 49.7 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -50.3 | -46.9 | 176.8 | -168.3 | 175 | 178.2 | -178.8 | 0 | 113.2 | L63 E64 L65 Y70 L71 | L63-K67 WeakPolarHBondContact O-CB 3.42Å; L63-K67 PolarHBondContact O-N 3.43Å; E64-K67 WeakPolarHBondContact O-CB 3.06Å; E64-K67 PolarHBondContact O-N 3.07Å; L65-K67 PolarHBondContact O-N 3.5Å; K67-Y70 PolarHBondContact O-N 3.25Å; K67-L71 PolarHBondContact O-N 3.05Å; K67-L71 VanDerWaalsContact O-N 3.16Å |
| 68 | L | 74.9 | Confident | 70 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.6 | -39.5 | -179.8 | -65.3 | 168.6 | 0 | 0 | 0 | 112.4 | V34 K35 I38 E64 L65 K66 Y70 L71 Y72 | V34-L68 HydrophobicContact CG1-CB 3.46Å; V34-L68 VanDerWaalsContact CG1-CB 3.46Å; V34-L68 HydrophobicContact CG1-CD1 4.17Å; V34-L68 HydrophobicContact CG1-CG 4.42Å; K35-L68 HydrophobicContact CG-CD1 3.82Å; I38-L68 HydrophobicContact CG1-CD2 4.3Å; E64-L68 WeakPolarHBondContact O-CG 3.28Å; E64-L68 PolarHBondContact O-N 3.07Å; L65-L68 PolarHBondContact O-N 3.35Å; K66-L68 VanDerWaalsContact C-N 3.32Å; K66-L68 PolarHBondContact O-N 3.38Å; L68-Y70 VanDerWaalsContact C-N 3.28Å; L68-Y70 PolarHBondContact O-N 2.84Å; L68-L71 PolarHBondContact O-N 3.46Å; L68-Y72 PolarHBondContact O-N 2.76Å |
| 69 | V | 75.1 | Confident | 70.2 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 173.5 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | V54 C57 M58 L65 K66 Y72 L73 | V54-V69 HydrophobicContact CG1-CB 4.38Å; V54-V69 HydrophobicContact CG1-CG1 4.18Å; V54-V69 HydrophobicContact CG1-CG2 3.99Å; C57-V69 HydrophobicContact CB-CG2 4.17Å; M58-V69 HydrophobicContact CB-CG1 4.42Å; L65-V69 VanDerWaalsContact O-CG2 3.27Å; L65-V69 WeakPolarHBondContact O-CG2 3.37Å; L65-V69 PolarHBondContact O-N 3.36Å; K66-V69 WeakPolarHBondContact O-CB 3.34Å; K66-V69 PolarHBondContact O-N 2.88Å; K66-V69 VanDerWaalsContact O-N 3.11Å; V69-Y72 WeakPolarHBondContact O-CB 3.28Å; V69-Y72 PolarHBondContact O-N 3.22Å; V69-L73 WeakPolarHBondContact O-CB 3.41Å; V69-L73 PolarHBondContact O-N 3.15Å |
| 70 | Y | 68.8 | Low | 70.5 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 173.6 | -64.8 | -76.6 | 0 | 0 | 0 | 113.5 | K66 K67 L68 Y72 L73 M74 F91 V99 T102 | K66-Y70 HydrophobicContact CB-CE2 3.83Å; K66-Y70 WeakPolarHBondContact O-CD2 3.35Å; K66-Y70 WeakPolarHBondContact O-CE2 3.21Å; K66-Y70 PolarHBondContact O-N 3.4Å; K67-Y70 PolarHBondContact O-N 3.25Å; L68-Y70 VanDerWaalsContact C-N 3.28Å; L68-Y70 PolarHBondContact O-N 2.84Å; Y70-Y72 VanDerWaalsContact C-N 3.26Å; Y70-Y72 PolarHBondContact O-N 3.22Å; Y70-L73 WeakPolarHBondContact O-CB 3.48Å; Y70-L73 PolarHBondContact O-N 3.29Å; Y70-L73 VanDerWaalsContact O-N 3.16Å; Y70-M74 WeakPolarHBondContact O-CG 3.29Å; Y70-M74 PolarHBondContact O-N 2.9Å; Y70-F91 AromaticContact CD1-CD2 3.97Å; Y70-F91 HydrophobicContact CD1-CD2 3.97Å; Y70-F91 HydrophobicContact CD1-CE1 4.45Å; Y70-F91 AromaticContact CD1-CE2 3.57Å; Y70-F91 HydrophobicContact CD1-CE2 3.57Å; Y70-F91 AromaticContact CD1-CZ 3.8Å; Y70-F91 HydrophobicContact CD1-CZ 3.8Å; Y70-F91 HydrophobicContact CE1-CB 4.13Å; Y70-F91 AromaticContact CE1-CD1 3.59Å; Y70-F91 HydrophobicContact CE1-CD1 3.59Å; Y70-F91 AromaticContact CE1-CD2 3.19Å; Y70-F91 HydrophobicContact CE1-CD2 3.19Å; Y70-F91 AromaticContact CE1-CE1 3.48Å; Y70-F91 HydrophobicContact CE1-CE1 3.48Å; Y70-F91 VanDerWaalsContact CE1-CE1 3.48Å; Y70-F91 AromaticContact CE1-CE2 3.11Å; Y70-F91 HydrophobicContact CE1-CE2 3.11Å; Y70-F91 AromaticContact CE1-CG 3.4Å; Y70-F91 HydrophobicContact CE1-CG 3.4Å; Y70-F91 AromaticContact CE1-CZ 3.21Å; Y70-F91 HydrophobicContact CE1-CZ 3.21Å; Y70-F91 HydrophobicContact CE2-CE1 4.17Å; Y70-F91 HydrophobicContact CE2-CZ 4.28Å; Y70-F91 AromaticContact CZ-CD1 3.45Å; Y70-F91 VanDerWaalsContact CZ-CD1 3.45Å; Y70-F91 AromaticContact CZ-CD2 3.98Å; Y70-F91 AromaticContact CZ-CE1 3.25Å; Y70-F91 AromaticContact CZ-CE2 3.85Å; Y70-F91 AromaticContact CZ-CG 3.76Å; Y70-F91 AromaticContact CZ-CZ 3.44Å; Y70-F91 VanDerWaalsContact CZ-CZ 3.44Å; Y70-F91 WeakPolarHBondContact OH-CD1 3.46Å; Y70-F91 WeakPolarHBondContact OH-CE1 3.35Å; Y70-F91 WeakPolarHBondContact OH-CG 3.5Å; Y70-V99 WeakPolarHBondContact OH-CG1 3.38Å; Y70-T102 HydrophobicContact CD1-CG2 3.83Å; Y70-T102 HydrophobicContact CD2-CG2 4.04Å; Y70-T102 HydrophobicContact CE1-CG2 4.05Å; Y70-T102 HydrophobicContact CE2-CG2 4.35Å; Y70-T102 HydrophobicContact CG-CG2 3.83Å |
| 71 | L | 71.8 | Confident | 70.4 | Confident | 77 Ų | 77 | 55.9 Ų | 55.9 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 179.3 | -175.8 | 63 | 0 | 0 | 0 | 110.9 | I38 M41 K67 L68 M74 | I38-L71 HydrophobicContact CD1-CB 4.2Å; I38-L71 HydrophobicContact CD1-CD2 4.29Å; I38-L71 HydrophobicContact CD1-CG 4.26Å; I38-L71 HydrophobicContact CG2-CD2 3.88Å; M41-L71 HydrophobicContact CE-CG 4.16Å; K67-L71 PolarHBondContact O-N 3.05Å; K67-L71 VanDerWaalsContact O-N 3.16Å; L68-L71 PolarHBondContact O-N 3.46Å; L71-M74 HydrophobicContact CD1-CE 4.04Å |
| 72 | Y | 76.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -47 | 171.5 | 179.4 | -93.1 | 0 | 0 | 0 | 111.6 | V37 M41 V47 F51 V54 L68 V69 Y70 M74 N75 Y76 | V37-Y72 HydrophobicContact CG1-CD2 3.58Å; V37-Y72 HydrophobicContact CG1-CE2 3.52Å; M41-Y72 HydrophobicContact SD-CD2 4.24Å; V47-Y72 HydrophobicContact CB-CE2 4.45Å; V47-Y72 HydrophobicContact CG2-CE2 3.77Å; V47-Y72 PolarHBondContact O-OH 2.94Å; F51-Y72 WeakPolarHBondContact CA-OH 3.46Å; F51-Y72 HydrophobicContact CB-CE1 4.14Å; F51-Y72 HydrophobicContact CD2-CD1 4.49Å; F51-Y72 AromaticContact CD2-CE1 3.57Å; F51-Y72 HydrophobicContact CD2-CE1 3.57Å; F51-Y72 HydrophobicContact CE2-CE1 4.26Å; F51-Y72 AromaticContact CG-CE1 3.98Å; F51-Y72 HydrophobicContact CG-CE1 3.98Å; F51-Y72 PolarHBondContact N-OH 2.66Å; V54-Y72 HydrophobicContact CB-CD1 4.06Å; V54-Y72 HydrophobicContact CB-CE1 4Å; V54-Y72 HydrophobicContact CG1-CD1 3.57Å; V54-Y72 HydrophobicContact CG1-CE1 4.04Å; V54-Y72 HydrophobicContact CG1-CG 3.89Å; V54-Y72 HydrophobicContact CG2-CD1 4.46Å; V54-Y72 HydrophobicContact CG2-CE1 4.26Å; V54-Y72 HydrophobicContact CG2-CE2 4.46Å; L68-Y72 PolarHBondContact O-N 2.76Å; V69-Y72 WeakPolarHBondContact O-CB 3.28Å; V69-Y72 PolarHBondContact O-N 3.22Å; Y70-Y72 VanDerWaalsContact C-N 3.26Å; Y70-Y72 PolarHBondContact O-N 3.22Å; Y72-M74 PolarHBondContact O-N 3.39Å; Y72-N75 PolarHBondContact O-N 2.79Å; Y72-Y76 HydrophobicContact CD1-CD2 4.26Å; Y72-Y76 AromaticContact CD2-CD2 3.77Å; Y72-Y76 HydrophobicContact CD2-CD2 3.77Å; Y72-Y76 AromaticContact CD2-CE2 3.85Å; Y72-Y76 HydrophobicContact CD2-CE2 3.85Å; Y72-Y76 AromaticContact CE1-CD2 3.98Å; Y72-Y76 HydrophobicContact CE1-CD2 3.98Å; Y72-Y76 AromaticContact CE2-CD2 3.48Å; Y72-Y76 HydrophobicContact CE2-CD2 3.48Å; Y72-Y76 VanDerWaalsContact CE2-CD2 3.48Å; Y72-Y76 AromaticContact CE2-CE2 3.4Å; Y72-Y76 HydrophobicContact CE2-CE2 3.4Å; Y72-Y76 VanDerWaalsContact CE2-CE2 3.4Å; Y72-Y76 HydrophobicContact CG-CD2 4.17Å; Y72-Y76 AromaticContact CZ-CD2 3.58Å; Y72-Y76 AromaticContact CZ-CE2 3.87Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.16Å; Y72-Y76 PolarHBondContact O-N 2.9Å; Y72-Y76 VanDerWaalsContact O-N 3.14Å |
| 73 | L | 71.9 | Confident | 70 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | -178.8 | -162.9 | 69.1 | 0 | 0 | 0 | 112.3 | F51 V69 Y70 N75 Y76 A77 A84 A87 F91 | F51-L73 HydrophobicContact CE1-CD1 4.11Å; F51-L73 HydrophobicContact CE2-CD1 4.02Å; F51-L73 HydrophobicContact CZ-CD1 3.42Å; F51-L73 VanDerWaalsContact CZ-CD1 3.42Å; V69-L73 WeakPolarHBondContact O-CB 3.41Å; V69-L73 PolarHBondContact O-N 3.15Å; Y70-L73 WeakPolarHBondContact O-CB 3.48Å; Y70-L73 PolarHBondContact O-N 3.29Å; Y70-L73 VanDerWaalsContact O-N 3.16Å; L73-N75 VanDerWaalsContact C-N 3.32Å; L73-N75 PolarHBondContact O-N 2.78Å; L73-Y76 PolarHBondContact O-N 3.36Å; L73-A77 WeakPolarHBondContact O-CA 3.18Å; L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.37Å; L73-A77 PolarHBondContact O-N 3.45Å; L73-A84 HydrophobicContact CD1-CB 4.12Å; L73-A84 HydrophobicContact CG-CB 4.23Å; L73-A87 HydrophobicContact CD1-CB 4.35Å; L73-A87 HydrophobicContact CD2-CB 3.58Å; L73-F91 HydrophobicContact CD2-CE2 4.27Å |
| 74 | M | 67.4 | Low | 70 | Confident | 59 Ų | 59 | 50.2 Ų | 50.2 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61 | -39 | 179.5 | -78.2 | -169.9 | -70.7 | 0 | 0 | 112.7 | Y70 L71 Y72 K109 | Y70-M74 WeakPolarHBondContact O-CG 3.29Å; Y70-M74 PolarHBondContact O-N 2.9Å; L71-M74 HydrophobicContact CD1-CE 4.04Å; Y72-M74 PolarHBondContact O-N 3.39Å; M74-K109 HydrophobicContact CG-CD 4.44Å; M74-K109 HydrophobicContact SD-CD 3.76Å; M74-K109 PolarHBondContact SD-NZ 3.2Å; M74-K109 VanDerWaalsContact SD-NZ 3.37Å |
| 75 | N | 70.8 | Confident | 69.7 | Low | 88 Ų | 88 | 47.1 Ų | 47.1 | 47% | 0.471 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75 | -38.5 | -179 | -165 | 38.2 | 0 | 0 | 0 | 111.9 | M41 Y72 L73 | M41-N75 HydrophobicContact CE-CB 4.22Å; M41-N75 HydrophobicContact CG-CB 4.46Å; M41-N75 WeakPolarHBondContact CG-ND2 3.36Å; M41-N75 HydrophobicContact SD-CB 3.55Å; M41-N75 VanDerWaalsContact SD-CB 3.55Å; M41-N75 PolarHBondContact SD-ND2 3.4Å; Y72-N75 PolarHBondContact O-N 2.79Å; L73-N75 VanDerWaalsContact C-N 3.32Å; L73-N75 PolarHBondContact O-N 2.78Å |
| 76 | Y | 69.4 | Low | 69.3 | Low | 17 Ų | 17 | 53.6 Ų | 53.6 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -88.8 | -4.5 | -180 | -75.6 | -74.3 | 0 | 0 | 0 | 114.5 | M41 V47 F51 Y72 L73 K78 S79 Q80 | M41-Y76 HydrophobicContact CG-CE2 4.11Å; M41-Y76 HydrophobicContact SD-CD2 4.3Å; M41-Y76 HydrophobicContact SD-CE2 3.97Å; V47-Y76 HydrophobicContact CG2-CE2 3.63Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.27Å; V47-Y76 PolarHBondContact N-OH 2.77Å; F51-Y76 HydrophobicContact CD2-CG 4.42Å; Y72-Y76 HydrophobicContact CD1-CD2 4.26Å; Y72-Y76 AromaticContact CD2-CD2 3.77Å; Y72-Y76 HydrophobicContact CD2-CD2 3.77Å; Y72-Y76 AromaticContact CD2-CE2 3.85Å; Y72-Y76 HydrophobicContact CD2-CE2 3.85Å; Y72-Y76 AromaticContact CE1-CD2 3.98Å; Y72-Y76 HydrophobicContact CE1-CD2 3.98Å; Y72-Y76 AromaticContact CE2-CD2 3.48Å; Y72-Y76 HydrophobicContact CE2-CD2 3.48Å; Y72-Y76 VanDerWaalsContact CE2-CD2 3.48Å; Y72-Y76 AromaticContact CE2-CE2 3.4Å; Y72-Y76 HydrophobicContact CE2-CE2 3.4Å; Y72-Y76 VanDerWaalsContact CE2-CE2 3.4Å; Y72-Y76 HydrophobicContact CG-CD2 4.17Å; Y72-Y76 AromaticContact CZ-CD2 3.58Å; Y72-Y76 AromaticContact CZ-CE2 3.87Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.16Å; Y72-Y76 PolarHBondContact O-N 2.9Å; Y72-Y76 VanDerWaalsContact O-N 3.14Å; L73-Y76 PolarHBondContact O-N 3.36Å; Y76-K78 PolarHBondContact O-N 2.88Å; Y76-S79 PolarHBondContact O-N 3.14Å; Y76-Q80 PolarHBondContact O-N 3.38Å |
| 77 | A | 64.9 | Low | 69.1 | Low | 9 Ų | 9 | 52.5 Ų | 52.5 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -34.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L73 S79 A84 I113 | L73-A77 WeakPolarHBondContact O-CA 3.18Å; L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.37Å; L73-A77 PolarHBondContact O-N 3.45Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 3.1Å; A77-A84 HydrophobicContact CB-CB 4.1Å; A77-I113 HydrophobicContact CB-CD1 3.88Å |
| 78 | K | 65.4 | Low | 69.1 | Low | 162 Ų | 162 | 46 Ų | 46 | 70% | 0.704 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.2 | 174.1 | -69.7 | -168.3 | 176.7 | -166.7 | 0 | 113 | Y76 I113 | Y76-K78 PolarHBondContact O-N 2.88Å; K78-I113 HydrophobicContact CB-CD1 4.49Å; K78-I113 HydrophobicContact CG-CD1 3.51Å; K78-I113 HydrophobicContact CG-CG1 3.82Å; K78-I113 HydrophobicContact CG-CG2 4.29Å |
| 79 | S | 69.1 | Low | 68.9 | Low | 80 Ų | 80 | 47.5 Ų | 47.5 | 56% | 0.559 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -30.8 | -175.6 | -43.6 | 0 | 0 | 0 | 0 | 112.6 | Y76 A77 | Y76-S79 PolarHBondContact O-N 3.14Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 3.1Å |
| 80 | Q | 69.4 | Low | 68.5 | Low | 70 Ų | 70 | 50.8 Ų | 50.8 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | trans | -143.8 | 78.7 | -176.4 | -65 | -169.4 | -48.8 | 0 | 0 | 111.5 | F51 Y76 A84 | F51-Q80 HydrophobicContact CE2-CB 4.38Å; Y76-Q80 PolarHBondContact O-N 3.38Å; Q80-A84 PolarHBondContact O-N 3.28Å | ||
| 81 | P | 67.1 | Low | 68.6 | Low | 34 Ų | 34 | 50.5 Ų | 50.5 | 22% | 0.221 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -175.1 | 24.6 | -33 | 0 | 0 | 0 | 113.3 | M83 A84 I85 | P81-M83 VanDerWaalsContact C-N 3.28Å; P81-M83 PolarHBondContact O-N 2.86Å; P81-A84 WeakPolarHBondContact O-CB 3.37Å; P81-A84 PolarHBondContact O-N 2.9Å; P81-A84 VanDerWaalsContact O-N 3.07Å; P81-I85 WeakPolarHBondContact O-CD1 3.4Å; P81-I85 PolarHBondContact O-N 2.84Å |
| 82 | D | 67.6 | Low | 68.5 | Low | 99 Ų | 99 | 47.6 Ų | 47.6 | 53% | 0.529 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -33.2 | -174.4 | -59 | -28.8 | 0 | 0 | 0 | 113.8 | I85 M117 | D82-I85 WeakPolarHBondContact O-CB 3.23Å; D82-M117 VanDerWaalsContact OD1-CE 3.29Å; D82-M117 WeakPolarHBondContact OD1-CE 3.25Å |
| 83 | M | 65.3 | Low | 68.4 | Low | 68 Ų | 68 | 55.7 Ų | 55.7 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -87.1 | -25 | 177.5 | -65.6 | -143.7 | -71.9 | 0 | 0 | 112.7 | F51 P52 P81 I85 M86 | F51-M83 HydrophobicContact CB-CE 4.43Å; F51-M83 HydrophobicContact CD1-CB 4.14Å; F51-M83 HydrophobicContact CD1-CE 3.46Å; F51-M83 VanDerWaalsContact CD1-CE 3.46Å; F51-M83 HydrophobicContact CD1-SD 4.47Å; F51-M83 HydrophobicContact CE1-CB 3.4Å; F51-M83 VanDerWaalsContact CE1-CB 3.4Å; F51-M83 HydrophobicContact CE1-CE 3.96Å; F51-M83 HydrophobicContact CG-CE 4.17Å; F51-M83 HydrophobicContact CZ-CB 4.02Å; P52-M83 HydrophobicContact CG-CE 4.28Å; P81-M83 VanDerWaalsContact C-N 3.28Å; P81-M83 PolarHBondContact O-N 2.86Å; M83-I85 VanDerWaalsContact C-N 3.32Å; M83-M86 PolarHBondContact O-N 3.31Å |
| 84 | A | 66.7 | Low | 68.6 | Low | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L73 A77 Q80 P81 M86 A87 V88 | L73-A84 HydrophobicContact CD1-CB 4.12Å; L73-A84 HydrophobicContact CG-CB 4.23Å; A77-A84 HydrophobicContact CB-CB 4.1Å; Q80-A84 PolarHBondContact O-N 3.28Å; P81-A84 WeakPolarHBondContact O-CB 3.37Å; P81-A84 PolarHBondContact O-N 2.9Å; P81-A84 VanDerWaalsContact O-N 3.07Å; A84-M86 PolarHBondContact O-N 2.89Å; A84-A87 PolarHBondContact O-N 3.47Å; A84-V88 WeakPolarHBondContact O-CG2 3.25Å; A84-V88 PolarHBondContact O-N 3.24Å |
| 85 | I | 67.4 | Low | 68.8 | Low | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -50.7 | -49.7 | 171.1 | -86.6 | 153.2 | 0 | 0 | 0 | 113.2 | P81 D82 M83 A87 V88 N89 L110 M117 Q121 F123 | P81-I85 WeakPolarHBondContact O-CD1 3.4Å; P81-I85 PolarHBondContact O-N 2.84Å; D82-I85 WeakPolarHBondContact O-CB 3.23Å; M83-I85 VanDerWaalsContact C-N 3.32Å; I85-A87 VanDerWaalsContact C-N 3.26Å; I85-A87 PolarHBondContact O-N 2.79Å; I85-V88 PolarHBondContact O-N 3.02Å; I85-N89 PolarHBondContact O-N 2.94Å; I85-N89 VanDerWaalsContact O-N 3.1Å; I85-L110 HydrophobicContact CG1-CD2 4.1Å; I85-M117 HydrophobicContact CD1-CB 4.33Å; I85-Q121 VanDerWaalsContact CG2-CD 3.48Å; I85-Q121 VanDerWaalsContact CG2-NE2 3.33Å; I85-F123 HydrophobicContact CG1-CE2 4.17Å |
| 86 | M | 65.3 | Low | 69 | Low | 139 Ų | 139 | 60.9 Ų | 60.9 | 69% | 0.685 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.9 | -36.8 | -175.6 | -72.5 | -169.7 | 177.8 | 0 | 0 | 111.4 | M83 A84 | M83-M86 PolarHBondContact O-N 3.31Å; A84-M86 PolarHBondContact O-N 2.89Å |
| 87 | A | 65.9 | Low | 69.4 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68 | -47.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M58 L73 A84 I85 N89 S90 F91 | M58-A87 HydrophobicContact CE-CB 4.36Å; M58-A87 WeakPolarHBondContact CE-O 3.48Å; M58-A87 HydrophobicContact SD-CB 3.74Å; L73-A87 HydrophobicContact CD1-CB 4.35Å; L73-A87 HydrophobicContact CD2-CB 3.58Å; A84-A87 PolarHBondContact O-N 3.47Å; I85-A87 VanDerWaalsContact C-N 3.26Å; I85-A87 PolarHBondContact O-N 2.79Å; A87-N89 VanDerWaalsContact C-N 3.31Å; A87-N89 PolarHBondContact O-N 3.32Å; A87-S90 PolarHBondContact O-N 3.41Å; A87-S90 VanDerWaalsContact O-N 3.1Å; A87-F91 HydrophobicContact CB-CD2 4.33Å; A87-F91 HydrophobicContact CB-CE2 3.8Å; A87-F91 WeakPolarHBondContact O-CD2 3.5Å; A87-F91 WeakPolarHBondContact O-CG 3.34Å; A87-F91 PolarHBondContact O-N 3.49Å |
| 88 | V | 70.4 | Confident | 70 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58 | -40.2 | 179.9 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | A84 I85 S90 F91 V92 C106 V107 F123 | A84-V88 WeakPolarHBondContact O-CG2 3.25Å; A84-V88 PolarHBondContact O-N 3.24Å; I85-V88 PolarHBondContact O-N 3.02Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 3.35Å; V88-F91 PolarHBondContact O-N 2.9Å; V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.49Å; V88-V92 PolarHBondContact O-N 3.07Å; V88-V92 VanDerWaalsContact O-N 3.11Å; V88-C106 HydrophobicContact CG2-CB 4.26Å; V88-V107 HydrophobicContact CG1-CG2 3.67Å; V88-F123 HydrophobicContact CB-CE1 4.26Å; V88-F123 HydrophobicContact CB-CZ 4.13Å; V88-F123 HydrophobicContact CG1-CD1 4.26Å; V88-F123 HydrophobicContact CG1-CE1 3.8Å; V88-F123 HydrophobicContact CG1-CZ 4.07Å |
| 89 | N | 70.5 | Confident | 70.4 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 32% | 0.316 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -34.8 | 177.2 | -96.7 | -48.1 | 0 | 0 | 0 | 114.3 | I85 A87 F123 | I85-N89 PolarHBondContact O-N 2.94Å; I85-N89 VanDerWaalsContact O-N 3.1Å; A87-N89 VanDerWaalsContact C-N 3.31Å; A87-N89 PolarHBondContact O-N 3.32Å; N89-F123 HydrophobicContact CB-CE1 4.17Å; N89-F123 HydrophobicContact CB-CZ 4.3Å; N89-F123 VanDerWaalsContact CG-CZ 3.47Å; N89-F123 VanDerWaalsContact ND2-CZ 3.27Å; N89-F123 WeakPolarHBondContact ND2-CZ 2.84Å; N89-F123 WeakPolarHBondContact OD1-CE1 3.23Å |
| 90 | S | 67.4 | Low | 71 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -78.7 | -29.5 | 177.3 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | A87 V88 | A87-S90 PolarHBondContact O-N 3.41Å; A87-S90 VanDerWaalsContact O-N 3.1Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 3.35Å |
| 91 | F | 70.2 | Confident | 71.5 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -78.7 | -32.2 | -177.9 | -62.2 | -50.7 | 0 | 0 | 0 | 114.2 | M58 Y70 L73 A87 V88 K93 D94 V99 A103 | M58-F91 HydrophobicContact CE-CD1 3.4Å; M58-F91 VanDerWaalsContact CE-CD1 3.4Å; M58-F91 HydrophobicContact CE-CD2 3.88Å; M58-F91 HydrophobicContact CE-CE1 3.14Å; M58-F91 HydrophobicContact CE-CE2 3.62Å; M58-F91 HydrophobicContact CE-CG 3.83Å; M58-F91 HydrophobicContact CE-CZ 3.29Å; M58-F91 HydrophobicContact CG-CE1 3.46Å; M58-F91 VanDerWaalsContact CG-CE1 3.46Å; M58-F91 HydrophobicContact CG-CE2 4.42Å; M58-F91 HydrophobicContact CG-CZ 3.4Å; M58-F91 VanDerWaalsContact CG-CZ 3.4Å; M58-F91 HydrophobicContact SD-CD1 4.42Å; M58-F91 HydrophobicContact SD-CD2 4.47Å; M58-F91 HydrophobicContact SD-CE1 3.62Å; M58-F91 HydrophobicContact SD-CE2 3.65Å; M58-F91 HydrophobicContact SD-CZ 3.19Å; M58-F91 WeakPolarHBondContact SD-CZ 3.41Å; Y70-F91 AromaticContact CD1-CD2 3.97Å; Y70-F91 HydrophobicContact CD1-CD2 3.97Å; Y70-F91 HydrophobicContact CD1-CE1 4.45Å; Y70-F91 AromaticContact CD1-CE2 3.57Å; Y70-F91 HydrophobicContact CD1-CE2 3.57Å; Y70-F91 AromaticContact CD1-CZ 3.8Å; Y70-F91 HydrophobicContact CD1-CZ 3.8Å; Y70-F91 HydrophobicContact CE1-CB 4.13Å; Y70-F91 AromaticContact CE1-CD1 3.59Å; Y70-F91 HydrophobicContact CE1-CD1 3.59Å; Y70-F91 AromaticContact CE1-CD2 3.19Å; Y70-F91 HydrophobicContact CE1-CD2 3.19Å; Y70-F91 AromaticContact CE1-CE1 3.48Å; Y70-F91 HydrophobicContact CE1-CE1 3.48Å; Y70-F91 VanDerWaalsContact CE1-CE1 3.48Å; Y70-F91 AromaticContact CE1-CE2 3.11Å; Y70-F91 HydrophobicContact CE1-CE2 3.11Å; Y70-F91 AromaticContact CE1-CG 3.4Å; Y70-F91 HydrophobicContact CE1-CG 3.4Å; Y70-F91 AromaticContact CE1-CZ 3.21Å; Y70-F91 HydrophobicContact CE1-CZ 3.21Å; Y70-F91 HydrophobicContact CE2-CE1 4.17Å; Y70-F91 HydrophobicContact CE2-CZ 4.28Å; Y70-F91 AromaticContact CZ-CD1 3.45Å; Y70-F91 VanDerWaalsContact CZ-CD1 3.45Å; Y70-F91 AromaticContact CZ-CD2 3.98Å; Y70-F91 AromaticContact CZ-CE1 3.25Å; Y70-F91 AromaticContact CZ-CE2 3.85Å; Y70-F91 AromaticContact CZ-CG 3.76Å; Y70-F91 AromaticContact CZ-CZ 3.44Å; Y70-F91 VanDerWaalsContact CZ-CZ 3.44Å; Y70-F91 WeakPolarHBondContact OH-CD1 3.46Å; Y70-F91 WeakPolarHBondContact OH-CE1 3.35Å; Y70-F91 WeakPolarHBondContact OH-CG 3.5Å; L73-F91 HydrophobicContact CD2-CE2 4.27Å; A87-F91 HydrophobicContact CB-CD2 4.33Å; A87-F91 HydrophobicContact CB-CE2 3.8Å; A87-F91 WeakPolarHBondContact O-CD2 3.5Å; A87-F91 WeakPolarHBondContact O-CG 3.34Å; A87-F91 PolarHBondContact O-N 3.49Å; V88-F91 PolarHBondContact O-N 2.9Å; F91-K93 PolarHBondContact O-N 3.29Å; F91-D94 WeakPolarHBondContact O-CB 3.22Å; F91-D94 PolarHBondContact O-N 3.14Å; F91-V99 HydrophobicContact CB-CG1 3.94Å; F91-V99 HydrophobicContact CD1-CG1 3.83Å; F91-V99 HydrophobicContact CG-CG1 4.32Å; F91-V99 WeakPolarHBondContact O-CG1 3.44Å; F91-A103 HydrophobicContact CB-CB 3.71Å |
| 92 | V | 70.9 | Confident | 71.9 | Confident | 15 Ų | 15 | 57 Ų | 57 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -28.4 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | V88 R100 A103 L130 | V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.49Å; V88-V92 PolarHBondContact O-N 3.07Å; V88-V92 VanDerWaalsContact O-N 3.11Å; V92-R100 WeakPolarHBondContact O-CD 3.32Å; V92-A103 HydrophobicContact CG2-CB 3.87Å; V92-L130 HydrophobicContact CG1-CD1 4.13Å; V92-L130 HydrophobicContact CG1-CG 4.41Å |
| 93 | K | 74.5 | Confident | 72.4 | Confident | 171 Ų | 171 | 52.3 Ų | 52.3 | 74% | 0.743 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 8.6 | -178.1 | -62.5 | 178.8 | -178.4 | 174.2 | 0 | 114.1 | F91 | F91-K93 PolarHBondContact O-N 3.29Š|
| 94 | D | 74.4 | Confident | 73.2 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | trans | -71 | 151.8 | -177.4 | -157.8 | -64 | 0 | 0 | 0 | 111.4 | K66 F91 D96 V99 R100 | K66-D94 IonicContact NZ-OD1 3.67Å; K66-D94 IonicContact NZ-OD2 2.71Å; K66-D94 PolarHBondContact NZ-OD2 3.5Å; F91-D94 WeakPolarHBondContact O-CB 3.22Å; F91-D94 PolarHBondContact O-N 3.14Å; D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 PolarHBondContact OD1-N 3.05Å; D94-D96 VanDerWaalsContact OD1-N 3.07Å; D94-V99 HydrophobicContact CB-CB 3.9Å; D94-V99 HydrophobicContact CB-CG1 3.26Å; D94-V99 VanDerWaalsContact CG-CG1 3.48Å; D94-R100 VanDerWaalsContact O-CD 3.22Å; D94-R100 WeakPolarHBondContact O-CD 3.45Å; D94-R100 VanDerWaalsContact O-CG 3.26Å; D94-R100 WeakPolarHBondContact O-CG 3.43Å; D94-R100 PolarHBondContact O-NH1 3.41Å | ||
| 95 | E | 71.8 | Confident | 73.8 | Confident | 183 Ų | 183 | 51.3 Ų | 51.3 | 86% | 0.855 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -73 | -27.9 | 179.4 | -65.1 | -171.1 | 165.7 | 0 | 0 | 112.2 | P97 R100 | E95-P97 WeakPolarHBondContact O-CD 3.38Å; E95-R100 PolarHBondContact O-NH1 3.4Å |
| 96 | D | 75.5 | Confident | 74.3 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | trans | -80.5 | 122.2 | -177.4 | -179.6 | 26.7 | 0 | 0 | 0 | 112.4 | L63 D94 Y98 V99 R100 | L63-D96 WeakPolarHBondContact CD1-OD2 3.41Å; D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 PolarHBondContact OD1-N 3.05Å; D94-D96 VanDerWaalsContact OD1-N 3.07Å; D96-Y98 PolarHBondContact O-N 2.7Å; D96-Y98 PolarHBondContact OD1-N 3.41Å; D96-Y98 WeakPolarHBondContact OD2-CB 3.31Å; D96-V99 HydrophobicContact CB-CB 4.26Å; D96-V99 HydrophobicContact CB-CG2 4.1Å; D96-V99 WeakPolarHBondContact O-CB 3.43Å; D96-V99 PolarHBondContact O-N 3.23Å; D96-V99 VanDerWaalsContact O-N 3.11Å; D96-R100 PolarHBondContact O-N 3.33Å; D96-R100 VanDerWaalsContact O-N 3.11Å | ||
| 97 | P | 78.4 | Confident | 75 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.1 | -32.2 | 176.7 | -26.3 | 35.2 | 0 | 0 | 0 | 114.1 | E95 V99 R100 K101 N135 V138 | E95-P97 WeakPolarHBondContact O-CD 3.38Å; P97-V99 VanDerWaalsContact C-N 3.35Å; P97-R100 PolarHBondContact O-N 2.98Å; P97-K101 WeakPolarHBondContact O-CB 3.34Å; P97-K101 PolarHBondContact O-N 3.11Å; P97-N135 HydrophobicContact CB-CB 4.04Å; P97-N135 HydrophobicContact CG-CB 4.26Å; P97-V138 HydrophobicContact CB-CG2 3.96Å; P97-V138 VanDerWaalsContact O-CG2 3.3Å; P97-V138 WeakPolarHBondContact O-CG2 3.25Å |
| 98 | Y | 76.2 | Confident | 75.6 | Confident | 126 Ų | 126 | 44.7 Ų | 44.7 | 49% | 0.494 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 177.4 | -83.4 | -83.6 | 0 | 0 | 0 | 112 | D96 T102 M137 | D96-Y98 PolarHBondContact O-N 2.7Å; D96-Y98 PolarHBondContact OD1-N 3.41Å; D96-Y98 WeakPolarHBondContact OD2-CB 3.31Å; Y98-T102 PolarHBondContact O-N 3.44Å; Y98-T102 PolarHBondContact O-OG1 3.17Å; Y98-M137 HydrophobicContact CE1-CE 4.1Å |
| 99 | V | 75.1 | Confident | 76 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -49.9 | 175.3 | 166 | 0 | 0 | 0 | 0 | 110.8 | L63 K66 Y70 F91 D94 D96 P97 K101 T102 A103 | L63-V99 HydrophobicContact CD1-CG2 4.42Å; K66-V99 HydrophobicContact CD-CG2 3.91Å; Y70-V99 WeakPolarHBondContact OH-CG1 3.38Å; F91-V99 HydrophobicContact CB-CG1 3.94Å; F91-V99 HydrophobicContact CD1-CG1 3.83Å; F91-V99 HydrophobicContact CG-CG1 4.32Å; F91-V99 WeakPolarHBondContact O-CG1 3.44Å; D94-V99 HydrophobicContact CB-CB 3.9Å; D94-V99 HydrophobicContact CB-CG1 3.26Å; D94-V99 VanDerWaalsContact CG-CG1 3.48Å; D96-V99 HydrophobicContact CB-CB 4.26Å; D96-V99 HydrophobicContact CB-CG2 4.1Å; D96-V99 WeakPolarHBondContact O-CB 3.43Å; D96-V99 PolarHBondContact O-N 3.23Å; D96-V99 VanDerWaalsContact O-N 3.11Å; P97-V99 VanDerWaalsContact C-N 3.35Å; V99-K101 VanDerWaalsContact C-N 3.3Å; V99-K101 PolarHBondContact O-N 3.22Å; V99-T102 PolarHBondContact O-N 3.01Å; V99-T102 VanDerWaalsContact O-N 3.14Å; V99-A103 WeakPolarHBondContact O-CB 3.43Å; V99-A103 PolarHBondContact O-N 3.42Å |
| 100 | R | 81.1 | Confident | 76.3 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 13% | 0.125 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 179.1 | -65.2 | -159.8 | -61.6 | -83.5 | 3.1 | 112.2 | V92 D94 E95 D96 P97 T102 A103 A104 D133 V138 | V92-R100 WeakPolarHBondContact O-CD 3.32Å; D94-R100 VanDerWaalsContact O-CD 3.22Å; D94-R100 WeakPolarHBondContact O-CD 3.45Å; D94-R100 VanDerWaalsContact O-CG 3.26Å; D94-R100 WeakPolarHBondContact O-CG 3.43Å; D94-R100 PolarHBondContact O-NH1 3.41Å; E95-R100 PolarHBondContact O-NH1 3.4Å; D96-R100 PolarHBondContact O-N 3.33Å; D96-R100 VanDerWaalsContact O-N 3.11Å; P97-R100 PolarHBondContact O-N 2.98Å; R100-T102 PolarHBondContact O-N 3.35Å; R100-A103 WeakPolarHBondContact O-CB 3.17Å; R100-A103 PolarHBondContact O-N 2.95Å; R100-A104 PolarHBondContact O-N 3.43Å; R100-D133 IonicContact CZ-OD2 3.36Å; R100-D133 IonicContact NE-OD2 2.76Å; R100-D133 PolarHBondContact NE-OD2 3.11Å; R100-D133 IonicContact NH2-OD1 3.09Å; R100-D133 PolarHBondContact NH2-OD1 3.27Å; R100-D133 VanDerWaalsContact NH2-OD1 3.09Å; R100-D133 IonicContact NH2-OD2 3.16Å; R100-D133 PolarHBondContact NH2-OD2 3.16Å; R100-D133 VanDerWaalsContact NH2-OD2 3.16Å; R100-V138 HydrophobicContact CB-CG1 3.98Å; R100-V138 HydrophobicContact CB-CG2 4Å |
| 101 | K | 79.4 | Confident | 76.7 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -48 | 173.8 | -169.3 | -159.5 | 95 | 165.9 | 0 | 111.7 | P97 V99 A103 A104 V105 M137 V138 N141 | P97-K101 WeakPolarHBondContact O-CB 3.34Å; P97-K101 PolarHBondContact O-N 3.11Å; V99-K101 VanDerWaalsContact C-N 3.3Å; V99-K101 PolarHBondContact O-N 3.22Å; K101-A103 VanDerWaalsContact C-N 3.32Å; K101-A104 PolarHBondContact O-N 2.91Å; K101-V105 PolarHBondContact O-N 3.29Å; K101-M137 HydrophobicContact CD-CB 4.42Å; K101-M137 HydrophobicContact CD-CE 4.35Å; K101-V138 HydrophobicContact CB-CG2 4.38Å; K101-N141 VanDerWaalsContact CD-ND2 3.28Å; K101-N141 WeakPolarHBondContact CD-ND2 3.42Å; K101-N141 HydrophobicContact CG-CB 3.64Å; K101-N141 WeakPolarHBondContact CG-ND2 3.5Å |
| 102 | T | 76 | Confident | 77 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 177.8 | -67 | 0 | 0 | 0 | 0 | 111.5 | Y70 Y98 V99 R100 A104 V105 C106 | Y70-T102 HydrophobicContact CD1-CG2 3.83Å; Y70-T102 HydrophobicContact CD2-CG2 4.04Å; Y70-T102 HydrophobicContact CE1-CG2 4.05Å; Y70-T102 HydrophobicContact CE2-CG2 4.35Å; Y70-T102 HydrophobicContact CG-CG2 3.83Å; Y98-T102 PolarHBondContact O-N 3.44Å; Y98-T102 PolarHBondContact O-OG1 3.17Å; V99-T102 PolarHBondContact O-N 3.01Å; V99-T102 VanDerWaalsContact O-N 3.14Å; R100-T102 PolarHBondContact O-N 3.35Å; T102-A104 VanDerWaalsContact C-N 3.35Å; T102-A104 PolarHBondContact O-N 3.44Å; T102-V105 PolarHBondContact O-N 2.8Å; T102-C106 PolarHBondContact O-N 3.01Å; T102-C106 PolarHBondContact O-SG 3.05Å |
| 103 | A | 78.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F91 V92 V99 R100 K101 V105 C106 V107 | F91-A103 HydrophobicContact CB-CB 3.71Å; V92-A103 HydrophobicContact CG2-CB 3.87Å; V99-A103 WeakPolarHBondContact O-CB 3.43Å; V99-A103 PolarHBondContact O-N 3.42Å; R100-A103 WeakPolarHBondContact O-CB 3.17Å; R100-A103 PolarHBondContact O-N 2.95Å; K101-A103 VanDerWaalsContact C-N 3.32Å; A103-V105 VanDerWaalsContact C-N 3.35Å; A103-V105 PolarHBondContact O-N 2.96Å; A103-C106 WeakPolarHBondContact O-CB 3.24Å; A103-C106 PolarHBondContact O-N 3.01Å; A103-C106 VanDerWaalsContact O-N 3.13Å; A103-V107 WeakPolarHBondContact O-CG2 3.36Å; A103-V107 PolarHBondContact O-N 3.49Å |
| 104 | A | 81.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R100 K101 T102 C106 V107 A108 L127 L130 A142 A145 | R100-A104 PolarHBondContact O-N 3.43Å; K101-A104 PolarHBondContact O-N 2.91Å; T102-A104 VanDerWaalsContact C-N 3.35Å; T102-A104 PolarHBondContact O-N 3.44Å; A104-C106 VanDerWaalsContact C-N 3.34Å; A104-C106 PolarHBondContact O-N 2.89Å; A104-V107 PolarHBondContact O-N 3.34Å; A104-A108 PolarHBondContact O-N 3.2Å; A104-L127 HydrophobicContact CB-CD1 3.65Å; A104-L130 HydrophobicContact CB-CD1 4.41Å; A104-A142 HydrophobicContact CB-CB 4.46Å; A104-A145 WeakPolarHBondContact O-CB 3.27Å |
| 105 | V | 80.6 | Confident | 77.4 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 30% | 0.297 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 176.1 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | K101 T102 A103 V107 A108 K109 N141 | K101-V105 PolarHBondContact O-N 3.29Å; T102-V105 PolarHBondContact O-N 2.8Å; A103-V105 VanDerWaalsContact C-N 3.35Å; A103-V105 PolarHBondContact O-N 2.96Å; V105-V107 VanDerWaalsContact C-N 3.33Å; V105-A108 PolarHBondContact O-N 2.84Å; V105-K109 PolarHBondContact O-N 3.36Å; V105-K109 VanDerWaalsContact O-N 3.11Å; V105-N141 HydrophobicContact CG2-CB 4.3Å |
| 106 | C | 76.4 | Confident | 77.5 | Confident | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 175.8 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | V88 T102 A103 A104 A108 K109 L110 | V88-C106 HydrophobicContact CG2-CB 4.26Å; T102-C106 PolarHBondContact O-N 3.01Å; T102-C106 PolarHBondContact O-SG 3.05Å; A103-C106 WeakPolarHBondContact O-CB 3.24Å; A103-C106 PolarHBondContact O-N 3.01Å; A103-C106 VanDerWaalsContact O-N 3.13Å; A104-C106 VanDerWaalsContact C-N 3.34Å; A104-C106 PolarHBondContact O-N 2.89Å; C106-A108 VanDerWaalsContact C-N 3.34Å; C106-K109 PolarHBondContact O-N 3.48Å; C106-L110 VanDerWaalsContact O-CB 3.23Å; C106-L110 WeakPolarHBondContact O-CB 3.37Å; C106-L110 PolarHBondContact O-N 3.02Å |
| 107 | V | 79.5 | Confident | 77.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | V88 A103 A104 V105 L110 H111 V118 F123 L127 | V88-V107 HydrophobicContact CG1-CG2 3.67Å; A103-V107 WeakPolarHBondContact O-CG2 3.36Å; A103-V107 PolarHBondContact O-N 3.49Å; A104-V107 PolarHBondContact O-N 3.34Å; V105-V107 VanDerWaalsContact C-N 3.33Å; V107-L110 PolarHBondContact O-N 2.89Å; V107-H111 WeakPolarHBondContact O-CB 3.49Å; V107-H111 PolarHBondContact O-N 3.33Å; V107-V118 HydrophobicContact CG1-CG1 4.12Å; V107-F123 HydrophobicContact CG1-CB 4.19Å; V107-L127 HydrophobicContact CG1-CD2 4.03Å |
| 108 | A | 80.2 | Confident | 77 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -49.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A104 V105 C106 L110 H111 D112 A145 | A104-A108 PolarHBondContact O-N 3.2Å; V105-A108 PolarHBondContact O-N 2.84Å; C106-A108 VanDerWaalsContact C-N 3.34Å; A108-L110 VanDerWaalsContact C-N 3.33Å; A108-L110 PolarHBondContact O-N 3.18Å; A108-H111 VanDerWaalsContact O-CB 3.28Å; A108-H111 WeakPolarHBondContact O-CB 3.21Å; A108-H111 PolarHBondContact O-N 2.86Å; A108-H111 VanDerWaalsContact O-N 3.15Å; A108-D112 PolarHBondContact O-N 3.04Å; A108-D112 VanDerWaalsContact O-N 3.11Å; A108-A145 HydrophobicContact CB-CB 3.83Å |
| 109 | K | 77.8 | Confident | 76.9 | Confident | 99 Ų | 99 | 40.9 Ų | 40.9 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.4 | -34 | 178.4 | -68.3 | -175.5 | 178.5 | -168.2 | 0 | 113.8 | M74 V105 C106 H111 D112 I113 | M74-K109 HydrophobicContact CG-CD 4.44Å; M74-K109 HydrophobicContact SD-CD 3.76Å; M74-K109 PolarHBondContact SD-NZ 3.2Å; M74-K109 VanDerWaalsContact SD-NZ 3.37Å; V105-K109 PolarHBondContact O-N 3.36Å; V105-K109 VanDerWaalsContact O-N 3.11Å; C106-K109 PolarHBondContact O-N 3.48Å; K109-H111 VanDerWaalsContact C-N 3.3Å; K109-D112 PolarHBondContact O-N 3.33Å; K109-I113 WeakPolarHBondContact O-CG1 3.46Å; K109-I113 PolarHBondContact O-N 3.34Å |
| 110 | L | 76.3 | Confident | 76.7 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.8 | -36.5 | 176.3 | -177 | 63.3 | 0 | 0 | 0 | 110.4 | I85 C106 V107 A108 I113 N114 V118 F123 | I85-L110 HydrophobicContact CG1-CD2 4.1Å; C106-L110 VanDerWaalsContact O-CB 3.23Å; C106-L110 WeakPolarHBondContact O-CB 3.37Å; C106-L110 PolarHBondContact O-N 3.02Å; V107-L110 PolarHBondContact O-N 2.89Å; A108-L110 VanDerWaalsContact C-N 3.33Å; A108-L110 PolarHBondContact O-N 3.18Å; L110-I113 PolarHBondContact O-N 3.08Å; L110-N114 PolarHBondContact O-N 2.65Å; L110-V118 HydrophobicContact CB-CG2 4.14Å; L110-V118 HydrophobicContact CD2-CG2 3.87Å; L110-V118 HydrophobicContact CG-CG2 3.65Å; L110-F123 HydrophobicContact CD2-CE2 4.44Å |
| 111 | H | 77.1 | Confident | 76.2 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.046 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 174.2 | -178 | -85.5 | 0 | 0 | 0 | 111.7 | V107 A108 K109 I113 N114 A115 V118 I149 S152 H153 | V107-H111 WeakPolarHBondContact O-CB 3.49Å; V107-H111 PolarHBondContact O-N 3.33Å; A108-H111 VanDerWaalsContact O-CB 3.28Å; A108-H111 WeakPolarHBondContact O-CB 3.21Å; A108-H111 PolarHBondContact O-N 2.86Å; A108-H111 VanDerWaalsContact O-N 3.15Å; K109-H111 VanDerWaalsContact C-N 3.3Å; H111-I113 PolarHBondContact O-N 3.24Å; H111-N114 CarbonylContact O-C 3.59Å; H111-N114 PolarHBondContact O-N 3.02Å; H111-A115 WeakPolarHBondContact NE2-CB 3.36Å; H111-A115 PolarHBondContact O-N 2.97Å; H111-A115 VanDerWaalsContact O-N 3.08Å; H111-V118 HydrophobicContact CB-CG2 4.33Å; H111-I149 HydrophobicContact CB-CD1 4.47Å; H111-I149 HydrophobicContact CB-CG1 4.21Å; H111-S152 PolarHBondContact CE1-OG 3.34Å; H111-S152 VanDerWaalsContact CE1-OG 3.25Å; H111-H153 AromaticContact CE1-CD2 3.19Å; H111-H153 PolarHBondContact CE1-CD2 2.65Å; H111-H153 AromaticContact CE1-NE2 3.39Å; H111-H153 PolarHBondContact CE1-NE2 3.39Å; H111-H153 AromaticContact NE2-CD2 3.14Å; H111-H153 PolarHBondContact NE2-CD2 3.21Å; H111-H153 AromaticContact NE2-NE2 3.49Å; H111-H153 PolarHBondContact NE2-NE2 3.39Å |
| 112 | D | 76.6 | Confident | 76 | Confident | 95 Ų | 95 | 46.7 Ų | 46.7 | 51% | 0.508 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -29.8 | 174.6 | -62.8 | -22.8 | 0 | 0 | 0 | 113.4 | A108 K109 | A108-D112 PolarHBondContact O-N 3.04Å; A108-D112 VanDerWaalsContact O-N 3.11Å; K109-D112 PolarHBondContact O-N 3.33Å |
| 113 | I | 76.1 | Confident | 76 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 31% | 0.308 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -83.2 | -47.9 | 180 | -62.9 | 167.8 | 0 | 0 | 0 | 110.5 | A77 K78 K109 L110 H111 | A77-I113 HydrophobicContact CB-CD1 3.88Å; K78-I113 HydrophobicContact CB-CD1 4.49Å; K78-I113 HydrophobicContact CG-CD1 3.51Å; K78-I113 HydrophobicContact CG-CG1 3.82Å; K78-I113 HydrophobicContact CG-CG2 4.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.46Å; K109-I113 PolarHBondContact O-N 3.34Å; L110-I113 PolarHBondContact O-N 3.08Å; H111-I113 PolarHBondContact O-N 3.24Å |
| 114 | N | 75.3 | Confident | 75.9 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | trans | -154.5 | 90.2 | -179 | -169.2 | -21.1 | 0 | 0 | 0 | 111.3 | L110 H111 Q116 M117 | L110-N114 PolarHBondContact O-N 2.65Å; H111-N114 CarbonylContact O-C 3.59Å; H111-N114 PolarHBondContact O-N 3.02Å; N114-Q116 PolarHBondContact O-N 2.86Å; N114-Q116 PolarHBondContact OD1-N 2.82Å; N114-M117 HydrophobicContact CB-CB 4.37Å; N114-M117 HydrophobicContact CB-CG 4.38Å; N114-M117 VanDerWaalsContact CG-CG 3.48Å; N114-M117 WeakPolarHBondContact ND2-CG 3.28Å; N114-M117 PolarHBondContact O-N 3.18Å; N114-M117 PolarHBondContact OD1-N 2.84Å | ||
| 115 | A | 76.6 | Confident | 75.9 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | H111 M117 V118 E119 H153 | H111-A115 WeakPolarHBondContact NE2-CB 3.36Å; H111-A115 PolarHBondContact O-N 2.97Å; H111-A115 VanDerWaalsContact O-N 3.08Å; A115-M117 VanDerWaalsContact C-N 3.33Å; A115-M117 PolarHBondContact O-N 2.93Å; A115-V118 WeakPolarHBondContact O-CB 3.43Å; A115-V118 PolarHBondContact O-N 3.42Å; A115-E119 PolarHBondContact O-N 3.15Å; A115-H153 WeakPolarHBondContact CB-NE2 3.38Å |
| 116 | Q | 73.8 | Confident | 75.8 | Confident | 136 Ų | 136 | 49.8 Ų | 49.8 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | -176.2 | -169.4 | 166.8 | 5 | 0 | 0 | 111.9 | N114 V118 E119 D120 | N114-Q116 PolarHBondContact O-N 2.86Å; N114-Q116 PolarHBondContact OD1-N 2.82Å; Q116-V118 VanDerWaalsContact C-N 3.3Å; Q116-V118 PolarHBondContact O-N 2.81Å; Q116-E119 PolarHBondContact O-N 3.08Å; Q116-D120 WeakPolarHBondContact O-CB 3.27Å; Q116-D120 PolarHBondContact O-N 2.73Å |
| 117 | M | 69.3 | Low | 76 | Confident | 57 Ų | 57 | 49.4 Ų | 49.4 | 28% | 0.281 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.9 | -28.6 | 176.4 | -72.1 | -73.4 | -139 | 0 | 0 | 113.5 | D82 I85 N114 A115 Q121 | D82-M117 VanDerWaalsContact OD1-CE 3.29Å; D82-M117 WeakPolarHBondContact OD1-CE 3.25Å; I85-M117 HydrophobicContact CD1-CB 4.33Å; N114-M117 HydrophobicContact CB-CB 4.37Å; N114-M117 HydrophobicContact CB-CG 4.38Å; N114-M117 VanDerWaalsContact CG-CG 3.48Å; N114-M117 WeakPolarHBondContact ND2-CG 3.28Å; N114-M117 PolarHBondContact O-N 3.18Å; N114-M117 PolarHBondContact OD1-N 2.84Å; A115-M117 VanDerWaalsContact C-N 3.33Å; A115-M117 PolarHBondContact O-N 2.93Å; M117-Q121 WeakPolarHBondContact O-CG 3.45Å |
| 118 | V | 73.7 | Confident | 76 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.7 | -38.1 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | V107 L110 H111 A115 Q116 F123 L124 | V107-V118 HydrophobicContact CG1-CG1 4.12Å; L110-V118 HydrophobicContact CB-CG2 4.14Å; L110-V118 HydrophobicContact CD2-CG2 3.87Å; L110-V118 HydrophobicContact CG-CG2 3.65Å; H111-V118 HydrophobicContact CB-CG2 4.33Å; A115-V118 WeakPolarHBondContact O-CB 3.43Å; A115-V118 PolarHBondContact O-N 3.42Å; Q116-V118 VanDerWaalsContact C-N 3.3Å; Q116-V118 PolarHBondContact O-N 2.81Å; V118-F123 HydrophobicContact CG1-CB 3.78Å; V118-F123 HydrophobicContact CG1-CD2 4.35Å; V118-F123 PolarHBondContact O-N 3.48Å; V118-L124 HydrophobicContact CG1-CD2 4.23Å; V118-L124 HydrophobicContact CG1-CG 4.38Å |
| 119 | E | 74.1 | Confident | 76.1 | Confident | 128 Ų | 128 | 59.3 Ų | 59.3 | 60% | 0.598 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.5 | -46.9 | 175.8 | -167.8 | 171.3 | -169.6 | 0 | 0 | 111.6 | A115 Q116 Q121 G122 L124 | A115-E119 PolarHBondContact O-N 3.15Å; Q116-E119 PolarHBondContact O-N 3.08Å; E119-Q121 PolarHBondContact O-N 3.42Å; E119-G122 PolarHBondContact O-N 2.99Å; E119-G122 VanDerWaalsContact O-N 3.07Å; E119-L124 HydrophobicContact CB-CD1 4.4Å; E119-L124 HydrophobicContact CG-CD1 4.35Å |
| 120 | D | 72.1 | Confident | 76.3 | Confident | 120 Ų | 120 | 55.1 Ų | 55.1 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.1 | -23 | -179.1 | -74.6 | -18.7 | 0 | 0 | 0 | 113.7 | Q116 | Q116-D120 WeakPolarHBondContact O-CB 3.27Å; Q116-D120 PolarHBondContact O-N 2.73Å |
| 121 | Q | 70.2 | Confident | 76.4 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -1.6 | -178 | -66 | -176.8 | 24.1 | 0 | 0 | 114.5 | I85 M117 E119 F123 | I85-Q121 VanDerWaalsContact CG2-CD 3.48Å; I85-Q121 VanDerWaalsContact CG2-NE2 3.33Å; M117-Q121 WeakPolarHBondContact O-CG 3.45Å; E119-Q121 PolarHBondContact O-N 3.42Å; Q121-F123 VanDerWaalsContact C-N 3.3Å; Q121-F123 HydrophobicContact CB-CD2 3.88Å; Q121-F123 HydrophobicContact CB-CE2 3.93Å; Q121-F123 PolarHBondContact O-N 3.31Å |
| 122 | G | 75.7 | Confident | 76.6 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 26.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | E119 L124 D125 S126 | E119-G122 PolarHBondContact O-N 2.99Å; E119-G122 VanDerWaalsContact O-N 3.07Å; G122-L124 PolarHBondContact O-N 2.89Å; G122-D125 PolarHBondContact O-N 2.83Å; G122-S126 PolarHBondContact O-N 2.94Å; G122-S126 PolarHBondContact O-OG 2.9Å |
| 123 | F | 75.2 | Confident | 76.9 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.2 | -27.9 | 174.5 | -77.8 | -55 | 0 | 0 | 0 | 112.4 | I85 V88 N89 V107 L110 V118 Q121 S126 L127 | I85-F123 HydrophobicContact CG1-CE2 4.17Å; V88-F123 HydrophobicContact CB-CE1 4.26Å; V88-F123 HydrophobicContact CB-CZ 4.13Å; V88-F123 HydrophobicContact CG1-CD1 4.26Å; V88-F123 HydrophobicContact CG1-CE1 3.8Å; V88-F123 HydrophobicContact CG1-CZ 4.07Å; N89-F123 HydrophobicContact CB-CE1 4.17Å; N89-F123 HydrophobicContact CB-CZ 4.3Å; N89-F123 VanDerWaalsContact CG-CZ 3.47Å; N89-F123 VanDerWaalsContact ND2-CZ 3.27Å; N89-F123 WeakPolarHBondContact ND2-CZ 2.84Å; N89-F123 WeakPolarHBondContact OD1-CE1 3.23Å; V107-F123 HydrophobicContact CG1-CB 4.19Å; L110-F123 HydrophobicContact CD2-CE2 4.44Å; V118-F123 HydrophobicContact CG1-CB 3.78Å; V118-F123 HydrophobicContact CG1-CD2 4.35Å; V118-F123 PolarHBondContact O-N 3.48Å; Q121-F123 VanDerWaalsContact C-N 3.3Å; Q121-F123 HydrophobicContact CB-CD2 3.88Å; Q121-F123 HydrophobicContact CB-CE2 3.93Å; Q121-F123 PolarHBondContact O-N 3.31Å; F123-S126 PolarHBondContact O-N 2.82Å; F123-L127 WeakPolarHBondContact O-CB 3.26Å; F123-L127 PolarHBondContact O-N 3.31Å |
| 124 | L | 76.7 | Confident | 77.1 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.5 | -62.5 | 178.3 | 0 | 0 | 0 | 111.6 | V118 E119 G122 L127 R128 I149 L158 | V118-L124 HydrophobicContact CG1-CD2 4.23Å; V118-L124 HydrophobicContact CG1-CG 4.38Å; E119-L124 HydrophobicContact CB-CD1 4.4Å; E119-L124 HydrophobicContact CG-CD1 4.35Å; G122-L124 PolarHBondContact O-N 2.89Å; L124-L127 PolarHBondContact O-N 3.44Å; L124-R128 WeakPolarHBondContact O-CB 3.33Å; L124-R128 PolarHBondContact O-N 3Å; L124-I149 HydrophobicContact CD2-CD1 4.08Å; L124-I149 HydrophobicContact CD2-CG2 4.23Å; L124-L158 HydrophobicContact CB-CD2 4.26Å; L124-L158 HydrophobicContact CD1-CD1 3.93Å; L124-L158 HydrophobicContact CD1-CD2 3.87Å; L124-L158 HydrophobicContact CD2-CD1 4.06Å |
| 125 | D | 79.8 | Confident | 77.6 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.2 | -42.6 | 175.1 | -63.9 | -40.7 | 0 | 0 | 0 | 111.2 | G122 L127 R128 D129 | G122-D125 PolarHBondContact O-N 2.83Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 2.9Å; D125-R128 WeakPolarHBondContact O-CB 3.45Å; D125-R128 PolarHBondContact O-N 3.44Å; D125-D129 PolarHBondContact O-N 2.8Å |
| 126 | S | 80.3 | Confident | 77.8 | Confident | 33 Ų | 33 | 56.7 Ų | 56.7 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -38 | 177 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | G122 F123 D129 L130 | G122-S126 PolarHBondContact O-N 2.94Å; G122-S126 PolarHBondContact O-OG 2.9Å; F123-S126 PolarHBondContact O-N 2.82Å; S126-D129 PolarHBondContact O-N 3.49Å; S126-L130 WeakPolarHBondContact O-CG 3.36Å; S126-L130 PolarHBondContact O-N 2.99Å |
| 127 | L | 80.2 | Confident | 78 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69 | -35.5 | 175.4 | -173.6 | 62.7 | 0 | 0 | 0 | 111.9 | A104 V107 F123 L124 D125 L130 A142 A145 L146 I149 | A104-L127 HydrophobicContact CB-CD1 3.65Å; V107-L127 HydrophobicContact CG1-CD2 4.03Å; F123-L127 WeakPolarHBondContact O-CB 3.26Å; F123-L127 PolarHBondContact O-N 3.31Å; L124-L127 PolarHBondContact O-N 3.44Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 2.9Å; L127-L130 HydrophobicContact CD1-CD1 4.19Å; L127-L130 WeakPolarHBondContact O-CB 3.34Å; L127-L130 PolarHBondContact O-N 2.94Å; L127-A142 HydrophobicContact CD1-CB 3.93Å; L127-A145 HydrophobicContact CD1-CB 4.34Å; L127-A145 HydrophobicContact CD2-CB 3.92Å; L127-L146 HydrophobicContact CB-CD2 4.45Å; L127-L146 HydrophobicContact CD2-CD2 3.65Å; L127-L146 HydrophobicContact CD2-CG 3.74Å; L127-L146 HydrophobicContact CG-CD1 4.37Å; L127-L146 HydrophobicContact CG-CD2 3.93Å; L127-L146 HydrophobicContact CG-CG 3.87Å; L127-I149 HydrophobicContact CD2-CD1 3.84Å |
| 128 | R | 79.7 | Confident | 78.8 | Confident | 90 Ų | 90 | 50 Ų | 50 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 173.5 | -179.5 | 175.8 | 174.2 | 153.5 | -2.4 | 111.7 | L124 D125 L130 I131 D160 | L124-R128 WeakPolarHBondContact O-CB 3.33Å; L124-R128 PolarHBondContact O-N 3Å; D125-R128 WeakPolarHBondContact O-CB 3.45Å; D125-R128 PolarHBondContact O-N 3.44Å; R128-L130 VanDerWaalsContact C-N 3.27Å; R128-L130 PolarHBondContact O-N 3.11Å; R128-I131 HydrophobicContact CG-CD1 4.46Å; R128-I131 WeakPolarHBondContact O-CB 3.45Å; R128-I131 WeakPolarHBondContact O-CG1 3.48Å; R128-I131 PolarHBondContact O-N 2.96Å; R128-D160 IonicContact CZ-OD2 3.35Å; R128-D160 VanDerWaalsContact CZ-OD2 3.23Å; R128-D160 IonicContact NH1-OD2 3.03Å; R128-D160 PolarHBondContact NH1-OD2 3.29Å; R128-D160 IonicContact NH2-OD2 3.24Å; R128-D160 PolarHBondContact NH2-OD2 3.37Å |
| 129 | D | 81.9 | Confident | 79.3 | Confident | 121 Ų | 121 | 50.3 Ų | 50.3 | 65% | 0.647 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.4 | -32.4 | 174.5 | -73.9 | -18.1 | 0 | 0 | 0 | 112.1 | D125 S126 I131 A132 | D125-D129 PolarHBondContact O-N 2.8Å; S126-D129 PolarHBondContact O-N 3.49Å; D129-I131 PolarHBondContact O-N 3.15Å; D129-A132 PolarHBondContact O-N 3.43Å |
| 130 | L | 81.6 | Confident | 79.7 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -65.9 | -16.1 | 175 | -68.5 | 177.8 | 0 | 0 | 0 | 114 | V92 A104 S126 L127 R128 A132 D133 V138 A142 | V92-L130 HydrophobicContact CG1-CD1 4.13Å; V92-L130 HydrophobicContact CG1-CG 4.41Å; A104-L130 HydrophobicContact CB-CD1 4.41Å; S126-L130 WeakPolarHBondContact O-CG 3.36Å; S126-L130 PolarHBondContact O-N 2.99Å; L127-L130 HydrophobicContact CD1-CD1 4.19Å; L127-L130 WeakPolarHBondContact O-CB 3.34Å; L127-L130 PolarHBondContact O-N 2.94Å; R128-L130 VanDerWaalsContact C-N 3.27Å; R128-L130 PolarHBondContact O-N 3.11Å; L130-A132 PolarHBondContact O-N 3.27Å; L130-D133 VanDerWaalsContact O-CB 3.28Å; L130-D133 WeakPolarHBondContact O-CB 3.42Å; L130-D133 PolarHBondContact O-N 3.32Å; L130-V138 HydrophobicContact CB-CG1 4.32Å; L130-V138 HydrophobicContact CD2-CG1 4.05Å; L130-A142 HydrophobicContact CB-CB 3.92Å |
| 131 | I | 79.7 | Confident | 80.4 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -65.1 | -27.1 | 171.2 | -53.5 | 173.3 | 0 | 0 | 0 | 110.8 | R128 D129 V143 L146 L169 | R128-I131 HydrophobicContact CG-CD1 4.46Å; R128-I131 WeakPolarHBondContact O-CB 3.45Å; R128-I131 WeakPolarHBondContact O-CG1 3.48Å; R128-I131 PolarHBondContact O-N 2.96Å; D129-I131 PolarHBondContact O-N 3.15Å; I131-V143 HydrophobicContact CG2-CG2 4.41Å; I131-L146 HydrophobicContact CD1-CD1 3.31Å; I131-L146 HydrophobicContact CG1-CD1 3.62Å; I131-L169 HydrophobicContact CG2-CD2 4.33Å |
| 132 | A | 80.7 | Confident | 81.1 | Confident | 55 Ų | 55 | 36.8 Ų | 36.8 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -92.8 | 10.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | D129 L130 | D129-A132 PolarHBondContact O-N 3.43Å; L130-A132 PolarHBondContact O-N 3.27Å |
| 133 | D | 81.9 | Confident | 81.5 | Confident | 32 Ų | 32 | 36 Ų | 36 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | trans | -61.6 | 152.3 | 178.4 | -160.7 | -59.9 | 0 | 0 | 0 | 111.5 | R100 L130 N135 V138 V139 | R100-D133 IonicContact CZ-OD2 3.36Å; R100-D133 IonicContact NE-OD2 2.76Å; R100-D133 PolarHBondContact NE-OD2 3.11Å; R100-D133 IonicContact NH2-OD1 3.09Å; R100-D133 PolarHBondContact NH2-OD1 3.27Å; R100-D133 VanDerWaalsContact NH2-OD1 3.09Å; R100-D133 IonicContact NH2-OD2 3.16Å; R100-D133 PolarHBondContact NH2-OD2 3.16Å; R100-D133 VanDerWaalsContact NH2-OD2 3.16Å; L130-D133 VanDerWaalsContact O-CB 3.28Å; L130-D133 WeakPolarHBondContact O-CB 3.42Å; L130-D133 PolarHBondContact O-N 3.32Å; D133-N135 VanDerWaalsContact C-N 3.3Å; D133-N135 PolarHBondContact OD1-N 3.15Å; D133-V138 HydrophobicContact CB-CB 4.23Å; D133-V138 HydrophobicContact CB-CG1 4.1Å; D133-V139 HydrophobicContact CB-CG2 4.1Å; D133-V139 WeakPolarHBondContact O-CG2 3.4Å | ||
| 134 | S | 80.9 | Confident | 81.8 | Confident | 116 Ų | 116 | 36.9 Ų | 36.9 | 81% | 0.811 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -74.9 | -21.1 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 135 | N | 84.7 | Confident | 82.2 | Confident | 41 Ų | 41 | 36.1 Ų | 36.1 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -94.9 | 120.4 | -178.9 | -169.5 | -71.7 | 0 | 0 | 0 | 112.3 | P97 D133 M137 V138 V139 | P97-N135 HydrophobicContact CB-CB 4.04Å; P97-N135 HydrophobicContact CG-CB 4.26Å; D133-N135 VanDerWaalsContact C-N 3.3Å; D133-N135 PolarHBondContact OD1-N 3.15Å; N135-M137 PolarHBondContact O-N 2.66Å; N135-M137 VanDerWaalsContact O-N 3.14Å; N135-M137 VanDerWaalsContact OD1-CB 3.24Å; N135-M137 WeakPolarHBondContact OD1-CB 3.45Å; N135-M137 PolarHBondContact OD1-N 3.25Å; N135-V138 HydrophobicContact CB-CG2 4.07Å; N135-V138 PolarHBondContact O-N 3.38Å; N135-V138 VanDerWaalsContact O-N 3.15Å; N135-V139 PolarHBondContact O-N 3.15Å |
| 136 | P | 81.4 | Confident | 82.3 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -27.8 | -179.6 | -26.6 | 34.9 | 0 | 0 | 0 | 115.1 | A140 A172 E175 C176 | P136-A140 WeakPolarHBondContact O-CB 3.41Å; P136-A140 PolarHBondContact O-N 3.01Å; P136-A172 HydrophobicContact CB-CB 4.28Å; P136-E175 HydrophobicContact CG-CB 4.02Å; P136-C176 HydrophobicContact CB-CB 4.13Å |
| 137 | M | 79.3 | Confident | 82.3 | Confident | 52 Ų | 52 | 30.3 Ų | 30.3 | 26% | 0.256 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71.5 | -38.7 | 179.1 | -58.8 | 178.1 | 67.9 | 0 | 0 | 111.7 | Y98 K101 N135 N141 | Y98-M137 HydrophobicContact CE1-CE 4.1Å; K101-M137 HydrophobicContact CD-CB 4.42Å; K101-M137 HydrophobicContact CD-CE 4.35Å; N135-M137 PolarHBondContact O-N 2.66Å; N135-M137 VanDerWaalsContact O-N 3.14Å; N135-M137 VanDerWaalsContact OD1-CB 3.24Å; N135-M137 WeakPolarHBondContact OD1-CB 3.45Å; N135-M137 PolarHBondContact OD1-N 3.25Å; M137-N141 PolarHBondContact O-N 2.96Å; M137-N141 PolarHBondContact O-ND2 2.92Å |
| 138 | V | 84.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 176.9 | -179 | 0 | 0 | 0 | 0 | 109.2 | P97 R100 K101 L130 D133 N135 A140 N141 A142 | P97-V138 HydrophobicContact CB-CG2 3.96Å; P97-V138 VanDerWaalsContact O-CG2 3.3Å; P97-V138 WeakPolarHBondContact O-CG2 3.25Å; R100-V138 HydrophobicContact CB-CG1 3.98Å; R100-V138 HydrophobicContact CB-CG2 4Å; K101-V138 HydrophobicContact CB-CG2 4.38Å; L130-V138 HydrophobicContact CB-CG1 4.32Å; L130-V138 HydrophobicContact CD2-CG1 4.05Å; D133-V138 HydrophobicContact CB-CB 4.23Å; D133-V138 HydrophobicContact CB-CG1 4.1Å; N135-V138 HydrophobicContact CB-CG2 4.07Å; N135-V138 PolarHBondContact O-N 3.38Å; N135-V138 VanDerWaalsContact O-N 3.15Å; V138-A140 PolarHBondContact O-N 2.65Å; V138-N141 PolarHBondContact O-N 3.23Å; V138-A142 WeakPolarHBondContact O-CB 3.32Å; V138-A142 PolarHBondContact O-N 3.49Å |
| 139 | V | 84.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.5 | -49.9 | 176.4 | 177 | 0 | 0 | 0 | 0 | 111 | D133 N135 N141 A142 V143 L169 | D133-V139 HydrophobicContact CB-CG2 4.1Å; D133-V139 WeakPolarHBondContact O-CG2 3.4Å; N135-V139 PolarHBondContact O-N 3.15Å; V139-N141 VanDerWaalsContact C-N 3.34Å; V139-N141 PolarHBondContact O-N 3.19Å; V139-A142 PolarHBondContact O-N 3.3Å; V139-V143 HydrophobicContact CG1-CG2 4.19Å; V139-V143 VanDerWaalsContact O-CB 3.27Å; V139-V143 WeakPolarHBondContact O-CB 3.41Å; V139-V143 WeakPolarHBondContact O-CG2 3.48Å; V139-V143 PolarHBondContact O-N 3.27Å; V139-L169 HydrophobicContact CG1-CD2 3.62Å |
| 140 | A | 83.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -40.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P136 V138 A144 | P136-A140 WeakPolarHBondContact O-CB 3.41Å; P136-A140 PolarHBondContact O-N 3.01Å; V138-A140 PolarHBondContact O-N 2.65Å; A140-A144 PolarHBondContact O-N 3.12Å |
| 141 | N | 85.6 | Confident | 81.5 | Confident | 31 Ų | 31 | 32.5 Ų | 32.5 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -80.6 | -30.6 | -179.4 | -71.2 | -93.2 | 0 | 0 | 0 | 112.3 | K101 V105 M137 V138 V139 V143 A144 A145 | K101-N141 VanDerWaalsContact CD-ND2 3.28Å; K101-N141 WeakPolarHBondContact CD-ND2 3.42Å; K101-N141 HydrophobicContact CG-CB 3.64Å; K101-N141 WeakPolarHBondContact CG-ND2 3.5Å; V105-N141 HydrophobicContact CG2-CB 4.3Å; M137-N141 PolarHBondContact O-N 2.96Å; M137-N141 PolarHBondContact O-ND2 2.92Å; V138-N141 PolarHBondContact O-N 3.23Å; V139-N141 VanDerWaalsContact C-N 3.34Å; V139-N141 PolarHBondContact O-N 3.19Å; N141-V143 VanDerWaalsContact C-N 3.32Å; N141-A144 PolarHBondContact O-N 3.37Å; N141-A145 VanDerWaalsContact O-CB 3.3Å; N141-A145 WeakPolarHBondContact O-CB 3.26Å; N141-A145 PolarHBondContact O-N 2.81Å |
| 142 | A | 86.1 | Confident | 81 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | A104 L127 L130 V138 V139 A145 L146 | A104-A142 HydrophobicContact CB-CB 4.46Å; L127-A142 HydrophobicContact CD1-CB 3.93Å; L130-A142 HydrophobicContact CB-CB 3.92Å; V138-A142 WeakPolarHBondContact O-CB 3.32Å; V138-A142 PolarHBondContact O-N 3.49Å; V139-A142 PolarHBondContact O-N 3.3Å; A142-A145 PolarHBondContact O-N 3.15Å; A142-L146 WeakPolarHBondContact O-CB 3.21Å; A142-L146 WeakPolarHBondContact O-CD1 3.29Å; A142-L146 VanDerWaalsContact O-CG 3.24Å; A142-L146 WeakPolarHBondContact O-CG 3.42Å; A142-L146 PolarHBondContact O-N 2.67Å |
| 143 | V | 82.4 | Confident | 80.2 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 177 | 169 | 0 | 0 | 0 | 0 | 111.9 | I131 V139 N141 S147 L169 C187 | I131-V143 HydrophobicContact CG2-CG2 4.41Å; V139-V143 HydrophobicContact CG1-CG2 4.19Å; V139-V143 VanDerWaalsContact O-CB 3.27Å; V139-V143 WeakPolarHBondContact O-CB 3.41Å; V139-V143 WeakPolarHBondContact O-CG2 3.48Å; V139-V143 PolarHBondContact O-N 3.27Å; N141-V143 VanDerWaalsContact C-N 3.32Å; V143-S147 PolarHBondContact O-N 3.33Å; V143-S147 PolarHBondContact O-OG 3.07Å; V143-L169 HydrophobicContact CG2-CD2 3.52Å; V143-C187 HydrophobicContact CG1-CB 3.88Å; V143-C187 WeakPolarHBondContact CG1-SG 3.47Å |
| 144 | A | 83.1 | Confident | 79 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A140 N141 L146 S147 E148 F183 | A140-A144 PolarHBondContact O-N 3.12Å; N141-A144 PolarHBondContact O-N 3.37Å; A144-L146 PolarHBondContact O-N 2.93Å; A144-S147 WeakPolarHBondContact O-CB 3.32Å; A144-S147 PolarHBondContact O-N 2.85Å; A144-S147 VanDerWaalsContact O-N 3.15Å; A144-E148 PolarHBondContact O-N 3.05Å; A144-F183 HydrophobicContact CB-CB 4.11Å; A144-F183 HydrophobicContact CB-CD1 4.03Å; A144-F183 HydrophobicContact CB-CD2 3.71Å; A144-F183 HydrophobicContact CB-CE1 4.37Å; A144-F183 HydrophobicContact CB-CE2 4.08Å; A144-F183 HydrophobicContact CB-CG 3.69Å; A144-F183 HydrophobicContact CB-CZ 4.39Å |
| 145 | A | 84.5 | Confident | 77.4 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A104 A108 L127 N141 A142 S147 E148 I149 | A104-A145 WeakPolarHBondContact O-CB 3.27Å; A108-A145 HydrophobicContact CB-CB 3.83Å; L127-A145 HydrophobicContact CD1-CB 4.34Å; L127-A145 HydrophobicContact CD2-CB 3.92Å; N141-A145 VanDerWaalsContact O-CB 3.3Å; N141-A145 WeakPolarHBondContact O-CB 3.26Å; N141-A145 PolarHBondContact O-N 2.81Å; A142-A145 PolarHBondContact O-N 3.15Å; A145-S147 VanDerWaalsContact C-N 3.31Å; A145-S147 PolarHBondContact O-N 3.06Å; A145-E148 PolarHBondContact O-N 3.41Å; A145-I149 WeakPolarHBondContact O-CB 3.25Å; A145-I149 WeakPolarHBondContact O-CD1 3.38Å; A145-I149 WeakPolarHBondContact O-CG1 3.46Å; A145-I149 PolarHBondContact O-N 2.72Å |
| 146 | L | 82.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 177.6 | -72.4 | 166.3 | 0 | 0 | 0 | 112.9 | L127 I131 A142 A144 S150 L159 | L127-L146 HydrophobicContact CB-CD2 4.45Å; L127-L146 HydrophobicContact CD2-CD2 3.65Å; L127-L146 HydrophobicContact CD2-CG 3.74Å; L127-L146 HydrophobicContact CG-CD1 4.37Å; L127-L146 HydrophobicContact CG-CD2 3.93Å; L127-L146 HydrophobicContact CG-CG 3.87Å; I131-L146 HydrophobicContact CD1-CD1 3.31Å; I131-L146 HydrophobicContact CG1-CD1 3.62Å; A142-L146 WeakPolarHBondContact O-CB 3.21Å; A142-L146 WeakPolarHBondContact O-CD1 3.29Å; A142-L146 VanDerWaalsContact O-CG 3.24Å; A142-L146 WeakPolarHBondContact O-CG 3.42Å; A142-L146 PolarHBondContact O-N 2.67Å; A144-L146 PolarHBondContact O-N 2.93Å; L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 2.88Å; L146-S150 PolarHBondContact O-OG 3.4Å; L146-L159 HydrophobicContact CB-CD2 3.83Å; L146-L159 HydrophobicContact CB-CG 4.35Å; L146-L159 HydrophobicContact CD1-CD2 4.24Å |
| 147 | S | 79.1 | Confident | 74.6 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.1 | -45.3 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | V143 A144 A145 I149 S150 E151 C187 | V143-S147 PolarHBondContact O-N 3.33Å; V143-S147 PolarHBondContact O-OG 3.07Å; A144-S147 WeakPolarHBondContact O-CB 3.32Å; A144-S147 PolarHBondContact O-N 2.85Å; A144-S147 VanDerWaalsContact O-N 3.15Å; A145-S147 VanDerWaalsContact C-N 3.31Å; A145-S147 PolarHBondContact O-N 3.06Å; S147-I149 PolarHBondContact O-N 3.01Å; S147-S150 WeakPolarHBondContact CA-OG 3.26Å; S147-S150 PolarHBondContact O-N 3.49Å; S147-S150 VanDerWaalsContact O-N 3.14Å; S147-S150 PolarHBondContact O-OG 3.22Å; S147-E151 WeakPolarHBondContact O-CG 3.25Å; S147-E151 PolarHBondContact O-N 3.26Å; S147-E151 VanDerWaalsContact O-N 3.08Å; S147-C187 PolarHBondContact OG-SG 3.44Å |
| 148 | E | 81.1 | Confident | 73.3 | Confident | 102 Ų | 102 | 42.6 Ų | 42.6 | 48% | 0.477 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.1 | -171.7 | 167.7 | -159.7 | 0 | 0 | 111.5 | A144 A145 S150 E151 S152 | A144-E148 PolarHBondContact O-N 3.05Å; A145-E148 PolarHBondContact O-N 3.41Å; E148-S150 VanDerWaalsContact C-N 3.33Å; E148-S150 PolarHBondContact O-N 3.1Å; E148-E151 PolarHBondContact O-N 2.81Å; E148-S152 PolarHBondContact O-N 3.4Å; E148-S152 PolarHBondContact O-OG 3.41Å |
| 149 | I | 79.9 | Confident | 72.1 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 173.4 | -66.3 | 165.8 | 0 | 0 | 0 | 111.1 | H111 L124 L127 A145 S147 E151 S152 H153 L158 | H111-I149 HydrophobicContact CB-CD1 4.47Å; H111-I149 HydrophobicContact CB-CG1 4.21Å; L124-I149 HydrophobicContact CD2-CD1 4.08Å; L124-I149 HydrophobicContact CD2-CG2 4.23Å; L127-I149 HydrophobicContact CD2-CD1 3.84Å; A145-I149 WeakPolarHBondContact O-CB 3.25Å; A145-I149 WeakPolarHBondContact O-CD1 3.38Å; A145-I149 WeakPolarHBondContact O-CG1 3.46Å; A145-I149 PolarHBondContact O-N 2.72Å; S147-I149 PolarHBondContact O-N 3.01Å; I149-E151 VanDerWaalsContact C-N 3.26Å; I149-E151 PolarHBondContact O-N 2.68Å; I149-S152 WeakPolarHBondContact CA-OG 3.44Å; I149-S152 PolarHBondContact O-N 2.83Å; I149-S152 PolarHBondContact O-OG 3.18Å; I149-H153 PolarHBondContact O-N 3.11Å; I149-H153 VanDerWaalsContact O-N 3.16Å; I149-L158 HydrophobicContact CG2-CD1 3.53Å |
| 150 | S | 73.8 | Confident | 70.9 | Confident | 31 Ų | 31 | 48.2 Ų | 48.2 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -27.8 | 178 | 75.4 | 0 | 0 | 0 | 0 | 113.4 | L146 S147 E148 | L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 2.88Å; L146-S150 PolarHBondContact O-OG 3.4Å; S147-S150 WeakPolarHBondContact CA-OG 3.26Å; S147-S150 PolarHBondContact O-N 3.49Å; S147-S150 VanDerWaalsContact O-N 3.14Å; S147-S150 PolarHBondContact O-OG 3.22Å; E148-S150 VanDerWaalsContact C-N 3.33Å; E148-S150 PolarHBondContact O-N 3.1Å |
| 151 | E | 72.2 | Confident | 69.9 | Low | 136 Ų | 136 | 49.8 Ų | 49.8 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.3 | -30.8 | 176.2 | -71.5 | 179.6 | -176.3 | 0 | 0 | 112.3 | S147 E148 I149 | S147-E151 WeakPolarHBondContact O-CG 3.25Å; S147-E151 PolarHBondContact O-N 3.26Å; S147-E151 VanDerWaalsContact O-N 3.08Å; E148-E151 PolarHBondContact O-N 2.81Å; I149-E151 VanDerWaalsContact C-N 3.26Å; I149-E151 PolarHBondContact O-N 2.68Å |
| 152 | S | 69 | Low | 69.2 | Low | 51 Ų | 51 | 51 Ų | 51 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -79.6 | -27.2 | 177.7 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | H111 E148 I149 | H111-S152 PolarHBondContact CE1-OG 3.34Å; H111-S152 VanDerWaalsContact CE1-OG 3.25Å; E148-S152 PolarHBondContact O-N 3.4Å; E148-S152 PolarHBondContact O-OG 3.41Å; I149-S152 WeakPolarHBondContact CA-OG 3.44Å; I149-S152 PolarHBondContact O-N 2.83Å; I149-S152 PolarHBondContact O-OG 3.18Å |
| 153 | H | 65.3 | Low | 68.5 | Low | 76 Ų | 76 | 54.1 Ų | 54.1 | 35% | 0.352 | 30% | 0.298 | S | S | . | . | trans | -131.5 | 93.4 | 178.1 | -69.1 | -30.5 | 0 | 0 | 0 | 113.2 | H111 A115 I149 N155 S156 | H111-H153 AromaticContact CE1-CD2 3.19Å; H111-H153 PolarHBondContact CE1-CD2 2.65Å; H111-H153 AromaticContact CE1-NE2 3.39Å; H111-H153 PolarHBondContact CE1-NE2 3.39Å; H111-H153 AromaticContact NE2-CD2 3.14Å; H111-H153 PolarHBondContact NE2-CD2 3.21Å; H111-H153 AromaticContact NE2-NE2 3.49Å; H111-H153 PolarHBondContact NE2-NE2 3.39Å; A115-H153 WeakPolarHBondContact CB-NE2 3.38Å; I149-H153 PolarHBondContact O-N 3.11Å; I149-H153 VanDerWaalsContact O-N 3.16Å; H153-N155 PolarHBondContact O-N 3.38Å; H153-N155 VanDerWaalsContact O-N 3.17Å; H153-S156 WeakPolarHBondContact CB-OG 3.43Å; H153-S156 PolarHBondContact O-N 2.94Å; H153-S156 PolarHBondContact O-OG 2.93Å; H153-S156 VanDerWaalsContact O-OG 3.05Å | ||
| 154 | P | 54.7 | Low | 68.2 | Low | 50 Ų | 50 | 60.9 Ų | 60.9 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.5 | -176.3 | 24.7 | -32.3 | 0 | 0 | 0 | 114.6 | H551 | P154-H551 WeakPolarHBondContact CB-NE2 3.23Š|
| 155 | N | 48.4 | Very low | 68 | Low | 162 Ų | 162 | 61 Ų | 61 | 87% | 0.866 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.4 | -179.6 | -69.7 | -22.2 | 0 | 0 | 0 | 114 | H153 | H153-N155 PolarHBondContact O-N 3.38Å; H153-N155 VanDerWaalsContact O-N 3.17Å |
| 156 | S | 52.6 | Low | 67.8 | Low | 34 Ų | 34 | 61 Ų | 61 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | trans | -107.2 | 91.9 | 177.6 | 47.3 | 0 | 0 | 0 | 0 | 108.4 | H153 L158 | H153-S156 WeakPolarHBondContact CB-OG 3.43Å; H153-S156 PolarHBondContact O-N 2.94Å; H153-S156 PolarHBondContact O-OG 2.93Å; H153-S156 VanDerWaalsContact O-OG 3.05Å; S156-L158 PolarHBondContact O-N 3.38Å | ||
| 157 | N | 53.8 | Low | 67.8 | Low | 135 Ų | 135 | 65.3 Ų | 65.3 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | trans | -67 | 67.7 | 169.8 | -72.6 | 17.7 | 0 | 0 | 0 | 110 | L159 | N157-L159 PolarHBondContact O-N 2.95Š| ||
| 158 | L | 53.1 | Low | 67.9 | Low | 36 Ų | 36 | 69.5 Ų | 69.5 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | trans | -72.2 | -21.5 | -178.1 | -67.4 | 166.6 | 0 | 0 | 0 | 112.1 | L124 I149 S156 D160 | L124-L158 HydrophobicContact CB-CD2 4.26Å; L124-L158 HydrophobicContact CD1-CD1 3.93Å; L124-L158 HydrophobicContact CD1-CD2 3.87Å; L124-L158 HydrophobicContact CD2-CD1 4.06Å; I149-L158 HydrophobicContact CG2-CD1 3.53Å; S156-L158 PolarHBondContact O-N 3.38Å; L158-D160 VanDerWaalsContact C-N 3.35Å; L158-D160 PolarHBondContact O-N 3.49Å | ||
| 159 | L | 59.3 | Low | 67.9 | Low | 34 Ų | 34 | 64.8 Ų | 64.8 | 18% | 0.178 | 35% | 0.345 | C | S | . | . | trans | -86 | 71.8 | 172.2 | -74.5 | 174.5 | 0 | 0 | 0 | 110.6 | L146 N157 L161 | L146-L159 HydrophobicContact CB-CD2 3.83Å; L146-L159 HydrophobicContact CB-CG 4.35Å; L146-L159 HydrophobicContact CD1-CD2 4.24Å; N157-L159 PolarHBondContact O-N 2.95Å; L159-L161 HydrophobicContact CB-CG 4.17Å; L159-L161 HydrophobicContact CD2-CD2 4.23Å; L159-L161 PolarHBondContact O-N 3.13Å | ||
| 160 | D | 58.6 | Low | 68 | Low | 90 Ų | 90 | 65.1 Ų | 65.1 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | trans | -70.9 | 77.5 | 160.8 | -82.3 | -28.9 | 0 | 0 | 0 | 109 | R128 L158 N162 | R128-D160 IonicContact CZ-OD2 3.35Å; R128-D160 VanDerWaalsContact CZ-OD2 3.23Å; R128-D160 IonicContact NH1-OD2 3.03Å; R128-D160 PolarHBondContact NH1-OD2 3.29Å; R128-D160 IonicContact NH2-OD2 3.24Å; R128-D160 PolarHBondContact NH2-OD2 3.37Å; L158-D160 VanDerWaalsContact C-N 3.35Å; L158-D160 PolarHBondContact O-N 3.49Å; D160-N162 PolarHBondContact O-N 3.42Å | ||
| 161 | L | 64.3 | Low | 68.5 | Low | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | trans | -72.2 | 95 | 174.9 | -65.3 | 174.8 | 0 | 0 | 0 | 108.6 | L159 L169 Y191 | L159-L161 HydrophobicContact CB-CG 4.17Å; L159-L161 HydrophobicContact CD2-CD2 4.23Å; L159-L161 PolarHBondContact O-N 3.13Å; L161-L169 HydrophobicContact CD2-CD1 4.31Å; L161-Y191 HydrophobicContact CB-CD2 3.87Å; L161-Y191 HydrophobicContact CB-CE2 4.27Å; L161-Y191 HydrophobicContact CD1-CD2 4.09Å; L161-Y191 HydrophobicContact CD1-CG 4.42Å | ||
| 162 | N | 69 | Low | 68.9 | Low | 57 Ų | 57 | 61.5 Ų | 61.5 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | trans | -83.1 | 156.1 | 169.6 | 71.6 | 41 | 0 | 0 | 0 | 110.3 | D160 Q164 N165 I166 | D160-N162 PolarHBondContact O-N 3.42Å; N162-Q164 PolarHBondContact O-N 3.27Å; N162-Q164 VanDerWaalsContact O-N 3.11Å; N162-Q164 WeakPolarHBondContact OD1-CA 3.38Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.32Å; N162-Q164 PolarHBondContact OD1-N 2.91Å; N162-N165 VanDerWaalsContact CG-CG 3.48Å; N162-N165 PolarHBondContact ND2-ND2 2.84Å; N162-N165 PolarHBondContact ND2-OD1 2.85Å; N162-N165 WeakPolarHBondContact O-CB 3.4Å; N162-N165 PolarHBondContact O-N 3.12Å; N162-N165 VanDerWaalsContact O-N 3.1Å; N162-N165 VanDerWaalsContact OD1-CB 3.31Å; N162-N165 WeakPolarHBondContact OD1-CB 3.47Å; N162-N165 PolarHBondContact OD1-N 3.02Å; N162-N165 PolarHBondContact OD1-OD1 3.38Å; N162-I166 PolarHBondContact O-N 2.78Å; N162-I166 VanDerWaalsContact O-N 3.09Å | ||
| 163 | P | 72.4 | Confident | 69.6 | Low | 65 Ų | 65 | 59.1 Ų | 59.1 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.2 | -25.7 | 178.4 | -27.7 | 35.8 | 0 | 0 | 0 | 114.2 | N167 | P163-N167 PolarHBondContact O-N 2.89Å; P163-N167 VanDerWaalsContact O-N 3.09Å; P163-N167 PolarHBondContact O-ND2 3.01Å |
| 164 | Q | 75.1 | Confident | 70.4 | Confident | 145 Ų | 145 | 59.3 Ų | 59.3 | 68% | 0.678 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.9 | -39.3 | 177.2 | -64.7 | -179.8 | -15.8 | 0 | 0 | 111.8 | N162 I166 N167 K168 | N162-Q164 PolarHBondContact O-N 3.27Å; N162-Q164 VanDerWaalsContact O-N 3.11Å; N162-Q164 WeakPolarHBondContact OD1-CA 3.38Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.32Å; N162-Q164 PolarHBondContact OD1-N 2.91Å; Q164-I166 VanDerWaalsContact C-N 3.35Å; Q164-N167 PolarHBondContact O-N 3.31Å; Q164-K168 WeakPolarHBondContact O-CG 3.21Å; Q164-K168 PolarHBondContact O-N 3.17Å |
| 165 | N | 79.3 | Confident | 71.7 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 175.6 | -70.3 | -4.1 | 0 | 0 | 0 | 109 | N162 N167 K168 L169 | N162-N165 VanDerWaalsContact CG-CG 3.48Å; N162-N165 PolarHBondContact ND2-ND2 2.84Å; N162-N165 PolarHBondContact ND2-OD1 2.85Å; N162-N165 WeakPolarHBondContact O-CB 3.4Å; N162-N165 PolarHBondContact O-N 3.12Å; N162-N165 VanDerWaalsContact O-N 3.1Å; N162-N165 VanDerWaalsContact OD1-CB 3.31Å; N162-N165 WeakPolarHBondContact OD1-CB 3.47Å; N162-N165 PolarHBondContact OD1-N 3.02Å; N162-N165 PolarHBondContact OD1-OD1 3.38Å; N165-N167 PolarHBondContact O-N 2.88Å; N165-K168 CarbonylContact O-C 3.46Å; N165-K168 WeakPolarHBondContact O-CB 3.49Å; N165-K168 PolarHBondContact O-N 3.35Å; N165-K168 VanDerWaalsContact O-N 3.14Å; N165-L169 WeakPolarHBondContact O-CB 3.47Å; N165-L169 VanDerWaalsContact O-CG 3.23Å; N165-L169 WeakPolarHBondContact O-CG 3.36Å; N165-L169 PolarHBondContact O-N 3.28Å |
| 166 | I | 81 | Confident | 73.1 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.4 | -65.9 | 168.5 | 0 | 0 | 0 | 111.3 | N162 Q164 K168 L169 L170 L188 Y191 I202 | N162-I166 PolarHBondContact O-N 2.78Å; N162-I166 VanDerWaalsContact O-N 3.09Å; Q164-I166 VanDerWaalsContact C-N 3.35Å; I166-K168 VanDerWaalsContact C-N 3.27Å; I166-K168 PolarHBondContact O-N 3.48Å; I166-L169 PolarHBondContact O-N 3.36Å; I166-L170 HydrophobicContact CG2-CD1 3.84Å; I166-L170 HydrophobicContact CG2-CG 4.24Å; I166-L170 WeakPolarHBondContact O-CB 2.98Å; I166-L170 VanDerWaalsContact O-CG 3.26Å; I166-L170 WeakPolarHBondContact O-CG 3.14Å; I166-L170 PolarHBondContact O-N 2.95Å; I166-L188 HydrophobicContact CG2-CD2 4.01Å; I166-Y191 HydrophobicContact CD1-CD1 3.54Å; I166-Y191 HydrophobicContact CD1-CD2 3.71Å; I166-Y191 HydrophobicContact CD1-CE1 3.22Å; I166-Y191 HydrophobicContact CD1-CE2 3.42Å; I166-Y191 VanDerWaalsContact CD1-CE2 3.42Å; I166-Y191 HydrophobicContact CD1-CG 3.77Å; I166-I202 HydrophobicContact CG2-CD1 4.31Å; I166-I202 HydrophobicContact CG2-CG1 4.44Å |
| 167 | N | 81.8 | Confident | 74.7 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 175.5 | -80.1 | -64.9 | 0 | 0 | 0 | 112.2 | P163 Q164 N165 T171 | P163-N167 PolarHBondContact O-N 2.89Å; P163-N167 VanDerWaalsContact O-N 3.09Å; P163-N167 PolarHBondContact O-ND2 3.01Å; Q164-N167 PolarHBondContact O-N 3.31Å; N165-N167 PolarHBondContact O-N 2.88Å; N167-T171 WeakPolarHBondContact O-CB 3.5Å; N167-T171 PolarHBondContact O-N 2.93Å; N167-T171 PolarHBondContact O-OG1 3.17Å |
| 168 | K | 80.6 | Confident | 76.2 | Confident | 103 Ų | 103 | 55.7 Ų | 55.7 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 173.9 | -71.5 | 177.7 | -179.7 | -176.7 | 0 | 112 | Q164 N165 I166 L170 T171 A172 | Q164-K168 WeakPolarHBondContact O-CG 3.21Å; Q164-K168 PolarHBondContact O-N 3.17Å; N165-K168 CarbonylContact O-C 3.46Å; N165-K168 WeakPolarHBondContact O-CB 3.49Å; N165-K168 PolarHBondContact O-N 3.35Å; N165-K168 VanDerWaalsContact O-N 3.14Å; I166-K168 VanDerWaalsContact C-N 3.27Å; I166-K168 PolarHBondContact O-N 3.48Å; K168-L170 PolarHBondContact O-N 3.27Å; K168-T171 WeakPolarHBondContact O-CB 3.47Å; K168-T171 PolarHBondContact O-N 3.03Å; K168-T171 VanDerWaalsContact O-N 3.13Å; K168-A172 WeakPolarHBondContact O-CB 3.04Å; K168-A172 PolarHBondContact O-N 2.97Å |
| 169 | L | 82.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.3 | -68.5 | 174.9 | 0 | 0 | 0 | 111.7 | I131 V139 V143 L161 N165 I166 T171 A172 L173 I184 | I131-L169 HydrophobicContact CG2-CD2 4.33Å; V139-L169 HydrophobicContact CG1-CD2 3.62Å; V143-L169 HydrophobicContact CG2-CD2 3.52Å; L161-L169 HydrophobicContact CD2-CD1 4.31Å; N165-L169 WeakPolarHBondContact O-CB 3.47Å; N165-L169 VanDerWaalsContact O-CG 3.23Å; N165-L169 WeakPolarHBondContact O-CG 3.36Å; N165-L169 PolarHBondContact O-N 3.28Å; I166-L169 PolarHBondContact O-N 3.36Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 2.88Å; L169-A172 CarbonylContact O-C 3.22Å; L169-A172 PolarHBondContact O-N 3.03Å; L169-L173 WeakPolarHBondContact O-CB 3.44Å; L169-L173 PolarHBondContact O-N 3.35Å; L169-I184 HydrophobicContact CB-CG2 4.05Å; L169-I184 HydrophobicContact CD2-CG1 4.38Å |
| 170 | L | 82.6 | Confident | 78.8 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.9 | -29.6 | 174.1 | -69 | 171 | 0 | 0 | 0 | 112.8 | I166 K168 L173 N174 L188 I202 R205 V206 | I166-L170 HydrophobicContact CG2-CD1 3.84Å; I166-L170 HydrophobicContact CG2-CG 4.24Å; I166-L170 WeakPolarHBondContact O-CB 2.98Å; I166-L170 VanDerWaalsContact O-CG 3.26Å; I166-L170 WeakPolarHBondContact O-CG 3.14Å; I166-L170 PolarHBondContact O-N 2.95Å; K168-L170 PolarHBondContact O-N 3.27Å; L170-L173 HydrophobicContact CD2-CD2 4.34Å; L170-L173 WeakPolarHBondContact O-CB 3.48Å; L170-N174 PolarHBondContact O-ND2 2.9Å; L170-L188 HydrophobicContact CD2-CD1 3.8Å; L170-I202 HydrophobicContact CD1-CG1 4.11Å; L170-I202 HydrophobicContact CD2-CG2 4.31Å; L170-R205 HydrophobicContact CD1-CB 4.47Å; L170-R205 HydrophobicContact CD1-CG 4.42Å; L170-R205 HydrophobicContact CD2-CB 4.1Å; L170-V206 HydrophobicContact CD2-CG2 4.5Å |
| 171 | T | 83.2 | Confident | 80.2 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.1 | -48.1 | 172.3 | -53.3 | 0 | 0 | 0 | 0 | 109.8 | N167 K168 L169 L173 N174 | N167-T171 WeakPolarHBondContact O-CB 3.5Å; N167-T171 PolarHBondContact O-N 2.93Å; N167-T171 PolarHBondContact O-OG1 3.17Å; K168-T171 WeakPolarHBondContact O-CB 3.47Å; K168-T171 PolarHBondContact O-N 3.03Å; K168-T171 VanDerWaalsContact O-N 3.13Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 2.88Å; T171-L173 PolarHBondContact O-N 3.42Å; T171-N174 PolarHBondContact O-N 3.31Å; T171-N174 VanDerWaalsContact O-N 3.13Å; T171-N174 PolarHBondContact O-ND2 2.98Å |
| 172 | A | 81.4 | Confident | 81.3 | Confident | 10 Ų | 10 | 55 Ų | 55 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.9 | -30.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | P136 K168 L169 N174 E175 C176 I184 | P136-A172 HydrophobicContact CB-CB 4.28Å; K168-A172 WeakPolarHBondContact O-CB 3.04Å; K168-A172 PolarHBondContact O-N 2.97Å; L169-A172 CarbonylContact O-C 3.22Å; L169-A172 PolarHBondContact O-N 3.03Å; A172-N174 PolarHBondContact O-N 2.92Å; A172-N174 VanDerWaalsContact O-N 3.17Å; A172-E175 PolarHBondContact O-N 3.35Å; A172-C176 VanDerWaalsContact O-CB 3.28Å; A172-C176 WeakPolarHBondContact O-CB 3.46Å; A172-C176 PolarHBondContact O-N 3.08Å; A172-C176 PolarHBondContact O-SG 3.26Å; A172-I184 HydrophobicContact CB-CD1 4.29Å |
| 173 | L | 83.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.1 | -30.5 | 175.4 | -171.9 | 68.9 | 0 | 0 | 0 | 112.6 | L169 L170 T171 Q181 I184 L185 R209 | L169-L173 WeakPolarHBondContact O-CB 3.44Å; L169-L173 PolarHBondContact O-N 3.35Å; L170-L173 HydrophobicContact CD2-CD2 4.34Å; L170-L173 WeakPolarHBondContact O-CB 3.48Å; T171-L173 PolarHBondContact O-N 3.42Å; L173-Q181 HydrophobicContact CD1-CB 3.74Å; L173-Q181 HydrophobicContact CD1-CG 3.88Å; L173-I184 HydrophobicContact CD1-CB 4.19Å; L173-I184 HydrophobicContact CD1-CG2 4.07Å; L173-L185 HydrophobicContact CD1-CG 4.21Å; L173-L185 HydrophobicContact CD2-CD2 4.38Å; L173-R209 HydrophobicContact CD2-CG 4.23Å |
| 174 | N | 81.4 | Confident | 82.8 | Confident | 80 Ų | 80 | 52.2 Ų | 52.2 | 43% | 0.428 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -77 | -27.1 | 179.7 | -60.2 | -52.4 | 0 | 0 | 0 | 113.2 | L170 T171 A172 | L170-N174 PolarHBondContact O-ND2 2.9Å; T171-N174 PolarHBondContact O-N 3.31Å; T171-N174 VanDerWaalsContact O-N 3.13Å; T171-N174 PolarHBondContact O-ND2 2.98Å; A172-N174 PolarHBondContact O-N 2.92Å; A172-N174 VanDerWaalsContact O-N 3.17Å |
| 175 | E | 81.6 | Confident | 83.3 | Confident | 146 Ų | 146 | 45.3 Ų | 45.3 | 68% | 0.682 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -112.2 | -7.5 | -170 | -63 | -179.7 | -180 | 0 | 0 | 113.1 | P136 A172 | P136-E175 HydrophobicContact CG-CB 4.02Å; A172-E175 PolarHBondContact O-N 3.35Å |
| 176 | C | 79.3 | Confident | 83.6 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -87.2 | 157.8 | -179 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | P136 A172 Q181 | P136-C176 HydrophobicContact CB-CB 4.13Å; A172-C176 VanDerWaalsContact O-CB 3.28Å; A172-C176 WeakPolarHBondContact O-CB 3.46Å; A172-C176 PolarHBondContact O-N 3.08Å; A172-C176 PolarHBondContact O-SG 3.26Å; C176-Q181 PolarHBondContact O-NE2 3.33Å; C176-Q181 WeakPolarHBondContact SG-CG 3.36Å; C176-Q181 PolarHBondContact SG-N 3.2Å; C176-Q181 VanDerWaalsContact SG-N 3.44Å |
| 177 | T | 85.9 | Confident | 83.6 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 41% | 0.405 | 23% | 0.229 | S | C | . | . | trans | -64.3 | 163.4 | 174.2 | 63.2 | 0 | 0 | 0 | 0 | 111 | W179 G180 Q181 | T177-W179 VanDerWaalsContact C-N 3.29Å; T177-W179 PolarHBondContact O-N 3.26Å; T177-G180 WeakPolarHBondContact O-CA 3.35Å; T177-G180 PolarHBondContact O-N 3.11Å; T177-Q181 WeakPolarHBondContact O-CG 3.35Å; T177-Q181 PolarHBondContact O-N 2.94Å | ||
| 178 | E | 85.3 | Confident | 83.7 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -54.3 | -44 | -177.3 | -57.2 | 86.1 | 170 | 0 | 0 | 112.5 | G180 Q181 I182 H212 V217 | E178-G180 VanDerWaalsContact C-N 3.33Å; E178-G180 PolarHBondContact O-N 3.29Å; E178-Q181 PolarHBondContact O-N 3.13Å; E178-I182 WeakPolarHBondContact O-CG1 3.35Å; E178-I182 PolarHBondContact O-N 2.85Å; E178-I182 VanDerWaalsContact O-N 3.08Å; E178-H212 VanDerWaalsContact CG-CE1 3.46Å; E178-H212 WeakPolarHBondContact CG-CE1 3.39Å; E178-V217 HydrophobicContact CB-CG2 4.14Å |
| 179 | W | 83.8 | Confident | 83.7 | Confident | 153 Ų | 153 | 37.7 Ų | 37.7 | 58% | 0.58 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -59.6 | -41.6 | 174.7 | -64.9 | 104 | 0 | 0 | 0 | 112.9 | T177 I182 F183 | T177-W179 VanDerWaalsContact C-N 3.29Å; T177-W179 PolarHBondContact O-N 3.26Å; W179-I182 PolarHBondContact O-N 3.09Å; W179-F183 HydrophobicContact CB-CE2 4.24Å; W179-F183 WeakPolarHBondContact O-CD2 3.38Å; W179-F183 VanDerWaalsContact O-CG 3.27Å; W179-F183 WeakPolarHBondContact O-CG 3.33Å; W179-F183 PolarHBondContact O-N 3.39Å; W179-F183 VanDerWaalsContact O-N 3.1Å |
| 180 | G | 83.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.2 | -35.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T177 E178 I182 F183 I184 | T177-G180 WeakPolarHBondContact O-CA 3.35Å; T177-G180 PolarHBondContact O-N 3.11Å; E178-G180 VanDerWaalsContact C-N 3.33Å; E178-G180 PolarHBondContact O-N 3.29Å; G180-I182 VanDerWaalsContact C-N 3.33Å; G180-I182 PolarHBondContact O-N 2.62Å; G180-F183 PolarHBondContact O-N 2.95Å; G180-I184 WeakPolarHBondContact O-CB 3.16Å; G180-I184 VanDerWaalsContact O-CG1 3.25Å; G180-I184 WeakPolarHBondContact O-CG1 3.47Å; G180-I184 PolarHBondContact O-N 2.89Å |
| 181 | Q | 87.3 | Confident | 83.4 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 174 | -63.7 | 176.9 | 34.5 | 0 | 0 | 111 | L173 C176 T177 E178 I184 L185 R209 V217 | L173-Q181 HydrophobicContact CD1-CB 3.74Å; L173-Q181 HydrophobicContact CD1-CG 3.88Å; C176-Q181 PolarHBondContact O-NE2 3.33Å; C176-Q181 WeakPolarHBondContact SG-CG 3.36Å; C176-Q181 PolarHBondContact SG-N 3.2Å; C176-Q181 VanDerWaalsContact SG-N 3.44Å; T177-Q181 WeakPolarHBondContact O-CG 3.35Å; T177-Q181 PolarHBondContact O-N 2.94Å; E178-Q181 PolarHBondContact O-N 3.13Å; Q181-I184 PolarHBondContact O-N 3.44Å; Q181-L185 WeakPolarHBondContact O-CB 3.46Å; Q181-L185 WeakPolarHBondContact O-CD1 3.38Å; Q181-L185 WeakPolarHBondContact O-CG 3.17Å; Q181-L185 PolarHBondContact O-N 3.17Å; Q181-R209 VanDerWaalsContact OE1-CD 3.23Å; Q181-V217 HydrophobicContact CB-CG1 4.38Å |
| 182 | I | 87.4 | Confident | 83.2 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 9% | 0.087 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -50.5 | 176.9 | -64.9 | 162.7 | 0 | 0 | 0 | 110.6 | E178 W179 G180 I184 L185 D186 A216 V217 | E178-I182 WeakPolarHBondContact O-CG1 3.35Å; E178-I182 PolarHBondContact O-N 2.85Å; E178-I182 VanDerWaalsContact O-N 3.08Å; W179-I182 PolarHBondContact O-N 3.09Å; G180-I182 VanDerWaalsContact C-N 3.33Å; G180-I182 PolarHBondContact O-N 2.62Å; I182-I184 VanDerWaalsContact C-N 3.31Å; I182-I184 PolarHBondContact O-N 2.71Å; I182-L185 PolarHBondContact O-N 3.27Å; I182-L185 VanDerWaalsContact O-N 3.1Å; I182-D186 WeakPolarHBondContact CG2-OD2 3.47Å; I182-D186 PolarHBondContact O-N 3.09Å; I182-A216 HydrophobicContact CD1-CB 3.68Å; I182-A216 HydrophobicContact CG1-CB 4.49Å; I182-V217 HydrophobicContact CD1-CG2 4.21Å; I182-V217 HydrophobicContact CG1-CG2 3.92Å |
| 183 | F | 85.9 | Confident | 83.1 | Confident | 63 Ų | 63 | 41.7 Ų | 41.7 | 28% | 0.276 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 179.3 | -58.6 | -39 | 0 | 0 | 0 | 112.4 | A144 W179 G180 D186 C187 | A144-F183 HydrophobicContact CB-CB 4.11Å; A144-F183 HydrophobicContact CB-CD1 4.03Å; A144-F183 HydrophobicContact CB-CD2 3.71Å; A144-F183 HydrophobicContact CB-CE1 4.37Å; A144-F183 HydrophobicContact CB-CE2 4.08Å; A144-F183 HydrophobicContact CB-CG 3.69Å; A144-F183 HydrophobicContact CB-CZ 4.39Å; W179-F183 HydrophobicContact CB-CE2 4.24Å; W179-F183 WeakPolarHBondContact O-CD2 3.38Å; W179-F183 VanDerWaalsContact O-CG 3.27Å; W179-F183 WeakPolarHBondContact O-CG 3.33Å; W179-F183 PolarHBondContact O-N 3.39Å; W179-F183 VanDerWaalsContact O-N 3.1Å; G180-F183 PolarHBondContact O-N 2.95Å; F183-D186 PolarHBondContact O-N 3.11Å; F183-C187 PolarHBondContact O-N 2.88Å; F183-C187 PolarHBondContact O-SG 2.79Å |
| 184 | I | 85.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 175.8 | -67.9 | 168 | 0 | 0 | 0 | 110.8 | L169 A172 L173 G180 Q181 I182 C187 L188 | L169-I184 HydrophobicContact CB-CG2 4.05Å; L169-I184 HydrophobicContact CD2-CG1 4.38Å; A172-I184 HydrophobicContact CB-CD1 4.29Å; L173-I184 HydrophobicContact CD1-CB 4.19Å; L173-I184 HydrophobicContact CD1-CG2 4.07Å; G180-I184 WeakPolarHBondContact O-CB 3.16Å; G180-I184 VanDerWaalsContact O-CG1 3.25Å; G180-I184 WeakPolarHBondContact O-CG1 3.47Å; G180-I184 PolarHBondContact O-N 2.89Å; Q181-I184 PolarHBondContact O-N 3.44Å; I182-I184 VanDerWaalsContact C-N 3.31Å; I182-I184 PolarHBondContact O-N 2.71Å; I184-C187 WeakPolarHBondContact O-CB 3.33Å; I184-C187 PolarHBondContact O-N 2.86Å; I184-L188 HydrophobicContact CG2-CD1 4.07Å; I184-L188 HydrophobicContact CG2-CG 4.42Å; I184-L188 VanDerWaalsContact O-CG 3.29Å; I184-L188 WeakPolarHBondContact O-CG 3.46Å; I184-L188 PolarHBondContact O-N 2.81Å |
| 185 | L | 87.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 178.6 | -71.8 | 168.4 | 0 | 0 | 0 | 112 | L173 Q181 I182 C187 L188 S189 V206 V217 A221 V224 | L173-L185 HydrophobicContact CD1-CG 4.21Å; L173-L185 HydrophobicContact CD2-CD2 4.38Å; Q181-L185 WeakPolarHBondContact O-CB 3.46Å; Q181-L185 WeakPolarHBondContact O-CD1 3.38Å; Q181-L185 WeakPolarHBondContact O-CG 3.17Å; Q181-L185 PolarHBondContact O-N 3.17Å; I182-L185 PolarHBondContact O-N 3.27Å; I182-L185 VanDerWaalsContact O-N 3.1Å; L185-C187 VanDerWaalsContact C-N 3.32Å; L185-C187 PolarHBondContact O-N 2.86Å; L185-L188 HydrophobicContact CD2-CD1 4.4Å; L185-L188 PolarHBondContact O-N 3.39Å; L185-S189 PolarHBondContact O-N 2.82Å; L185-V206 HydrophobicContact CD2-CG1 3.98Å; L185-V206 HydrophobicContact CD2-CG2 4.02Å; L185-V217 HydrophobicContact CD1-CG1 4.26Å; L185-A221 HydrophobicContact CD1-CB 4.27Å; L185-V224 HydrophobicContact CB-CG2 4.26Å; L185-V224 HydrophobicContact CD2-CG2 4.23Å; L185-V224 WeakPolarHBondContact O-CG2 2.95Å |
| 186 | D | 84.1 | Confident | 82.5 | Confident | 47 Ų | 47 | 47.3 Ų | 47.3 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 175.4 | -74.2 | -32.3 | 0 | 0 | 0 | 111.4 | I182 F183 S189 N190 K223 | I182-D186 WeakPolarHBondContact CG2-OD2 3.47Å; I182-D186 PolarHBondContact O-N 3.09Å; F183-D186 PolarHBondContact O-N 3.11Å; D186-S189 WeakPolarHBondContact O-CB 3.36Å; D186-S189 PolarHBondContact O-N 2.73Å; D186-S189 VanDerWaalsContact O-N 3.17Å; D186-S189 PolarHBondContact O-OG 3.15Å; D186-N190 PolarHBondContact O-N 3.04Å; D186-K223 IonicContact OD1-NZ 2.78Å; D186-K223 PolarHBondContact OD1-NZ 2.81Å |
| 187 | C | 82.1 | Confident | 82.6 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 172.1 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | V143 S147 F183 I184 L185 S189 N190 Y191 | V143-C187 HydrophobicContact CG1-CB 3.88Å; V143-C187 WeakPolarHBondContact CG1-SG 3.47Å; S147-C187 PolarHBondContact OG-SG 3.44Å; F183-C187 PolarHBondContact O-N 2.88Å; F183-C187 PolarHBondContact O-SG 2.79Å; I184-C187 WeakPolarHBondContact O-CB 3.33Å; I184-C187 PolarHBondContact O-N 2.86Å; L185-C187 VanDerWaalsContact C-N 3.32Å; L185-C187 PolarHBondContact O-N 2.86Å; C187-S189 PolarHBondContact O-N 2.87Å; C187-N190 PolarHBondContact O-N 2.9Å; C187-Y191 PolarHBondContact O-N 3.42Å; C187-Y191 VanDerWaalsContact O-N 3.12Å |
| 188 | L | 82.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -32.1 | 174 | -68.8 | 171.7 | 0 | 0 | 0 | 111.2 | I166 L170 I184 L185 N190 Y191 V224 F228 | I166-L188 HydrophobicContact CG2-CD2 4.01Å; L170-L188 HydrophobicContact CD2-CD1 3.8Å; I184-L188 HydrophobicContact CG2-CD1 4.07Å; I184-L188 HydrophobicContact CG2-CG 4.42Å; I184-L188 VanDerWaalsContact O-CG 3.29Å; I184-L188 WeakPolarHBondContact O-CG 3.46Å; I184-L188 PolarHBondContact O-N 2.81Å; L185-L188 HydrophobicContact CD2-CD1 4.4Å; L185-L188 PolarHBondContact O-N 3.39Å; L188-N190 PolarHBondContact O-N 3Å; L188-Y191 PolarHBondContact O-N 2.94Å; L188-V224 HydrophobicContact CB-CG1 4.4Å; L188-V224 HydrophobicContact CB-CG2 4.37Å; L188-F228 WeakPolarHBondContact O-CZ 3.49Å |
| 189 | S | 80.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.3 | -23.1 | 174.2 | 86.3 | 0 | 0 | 0 | 0 | 113.1 | L185 D186 C187 K227 | L185-S189 PolarHBondContact O-N 2.82Å; D186-S189 WeakPolarHBondContact O-CB 3.36Å; D186-S189 PolarHBondContact O-N 2.73Å; D186-S189 VanDerWaalsContact O-N 3.17Å; D186-S189 PolarHBondContact O-OG 3.15Å; C187-S189 PolarHBondContact O-N 2.87Å; S189-K227 VanDerWaalsContact O-CD 3.31Å; S189-K227 WeakPolarHBondContact O-CD 3.12Å; S189-K227 WeakPolarHBondContact O-CE 3.46Å; S189-K227 PolarHBondContact O-NZ 3.21Å |
| 190 | N | 79.1 | Confident | 82.3 | Confident | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -87.1 | -21.5 | 172.8 | -66.3 | -27.9 | 0 | 0 | 0 | 112.4 | D186 C187 L188 K553 | D186-N190 PolarHBondContact O-N 3.04Å; C187-N190 PolarHBondContact O-N 2.9Å; L188-N190 PolarHBondContact O-N 3Å; N190-K553 PolarHBondContact OD1-NZ 3.02Å |
| 191 | Y | 80.8 | Confident | 82.4 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | trans | -71.1 | 142.3 | 174.2 | -176.7 | -113.3 | 0 | 0 | 0 | 112 | L161 I166 C187 L188 P193 E198 I202 K227 | L161-Y191 HydrophobicContact CB-CD2 3.87Å; L161-Y191 HydrophobicContact CB-CE2 4.27Å; L161-Y191 HydrophobicContact CD1-CD2 4.09Å; L161-Y191 HydrophobicContact CD1-CG 4.42Å; I166-Y191 HydrophobicContact CD1-CD1 3.54Å; I166-Y191 HydrophobicContact CD1-CD2 3.71Å; I166-Y191 HydrophobicContact CD1-CE1 3.22Å; I166-Y191 HydrophobicContact CD1-CE2 3.42Å; I166-Y191 VanDerWaalsContact CD1-CE2 3.42Å; I166-Y191 HydrophobicContact CD1-CG 3.77Å; C187-Y191 PolarHBondContact O-N 3.42Å; C187-Y191 VanDerWaalsContact O-N 3.12Å; L188-Y191 PolarHBondContact O-N 2.94Å; Y191-P193 HydrophobicContact CD1-CG 4.01Å; Y191-P193 HydrophobicContact CE1-CB 4.12Å; Y191-P193 HydrophobicContact CE1-CG 3.97Å; Y191-E198 PolarHBondContact OH-OE1 3.03Å; Y191-E198 PolarHBondContact OH-OE2 3.38Å; Y191-I202 HydrophobicContact CD1-CD1 4.44Å; Y191-I202 HydrophobicContact CE1-CD1 4.34Å; Y191-K227 PolarHBondContact O-NZ 3.3Å | ||
| 192 | N | 78.9 | Confident | 82.3 | Confident | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | trans | -115.1 | 105.7 | 172.3 | -68.1 | -25.4 | 0 | 0 | 0 | 108.1 | K227 | N192-K227 WeakPolarHBondContact OD1-CE 3.49Å; N192-K227 PolarHBondContact OD1-NZ 2.9Å | ||
| 193 | P | 79.1 | Confident | 82.2 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | trans | -56 | 145.8 | 175.4 | -24.5 | 33.6 | 0 | 0 | 0 | 111.7 | Y191 E198 A199 I202 F228 L231 | Y191-P193 HydrophobicContact CD1-CG 4.01Å; Y191-P193 HydrophobicContact CE1-CB 4.12Å; Y191-P193 HydrophobicContact CE1-CG 3.97Å; P193-E198 WeakPolarHBondContact CA-OE2 3.26Å; P193-E198 HydrophobicContact CB-CB 4.5Å; P193-E198 HydrophobicContact CB-CG 4.44Å; P193-A199 HydrophobicContact CB-CB 4.1Å; P193-A199 HydrophobicContact CG-CB 4.16Å; P193-I202 HydrophobicContact CG-CD1 4.2Å; P193-F228 HydrophobicContact CG-CD1 3.89Å; P193-F228 HydrophobicContact CG-CE1 3.57Å; P193-F228 HydrophobicContact CG-CE2 4.46Å; P193-F228 HydrophobicContact CG-CG 4.5Å; P193-F228 HydrophobicContact CG-CZ 3.88Å; P193-L231 HydrophobicContact CB-CD1 4.5Å; P193-L231 HydrophobicContact CG-CD1 4.31Å | ||
| 194 | K | 76.2 | Confident | 82.1 | Confident | 191 Ų | 191 | 49.8 Ų | 49.8 | 83% | 0.83 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -87.4 | -23.8 | -178.9 | -65.7 | -174.7 | -179.3 | -178.7 | 0 | 113.2 | E198 | K194-E198 PolarHBondContact N-OE2 2.77Š|
| 195 | D | 78.8 | Confident | 82.1 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -139.6 | 149.1 | -174.1 | -168.3 | 15 | 0 | 0 | 0 | 110.5 | R197 E198 A199 | D195-R197 PolarHBondContact O-N 2.86Å; D195-E198 WeakPolarHBondContact O-CB 3.47Å; D195-E198 PolarHBondContact O-N 2.75Å; D195-E198 VanDerWaalsContact O-N 3.13Å; D195-A199 PolarHBondContact O-N 2.99Å; D195-A199 VanDerWaalsContact O-N 3.16Å |
| 196 | D | 79 | Confident | 82.1 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -32.9 | -178.3 | -61.6 | -16.2 | 0 | 0 | 0 | 111 | A199 Q200 | D196-A199 PolarHBondContact O-N 2.88Å; D196-Q200 WeakPolarHBondContact O-CG 3.36Å; D196-Q200 PolarHBondContact O-N 2.87Å |
| 197 | R | 81.1 | Confident | 82.2 | Confident | 193 Ų | 193 | 56 Ų | 56 | 73% | 0.728 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.7 | -38.6 | 177.6 | -64.1 | 177.1 | 179.6 | -179.1 | 2 | 112.2 | D195 S201 | D195-R197 PolarHBondContact O-N 2.86Å; R197-S201 PolarHBondContact O-N 2.93Å |
| 198 | E | 82.7 | Confident | 82.5 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 175.1 | -175.7 | -174.9 | -158.7 | 0 | 0 | 109.5 | Y191 P193 K194 D195 Q200 S201 I202 | Y191-E198 PolarHBondContact OH-OE1 3.03Å; Y191-E198 PolarHBondContact OH-OE2 3.38Å; P193-E198 WeakPolarHBondContact CA-OE2 3.26Å; P193-E198 HydrophobicContact CB-CB 4.5Å; P193-E198 HydrophobicContact CB-CG 4.44Å; K194-E198 PolarHBondContact N-OE2 2.77Å; D195-E198 WeakPolarHBondContact O-CB 3.47Å; D195-E198 PolarHBondContact O-N 2.75Å; D195-E198 VanDerWaalsContact O-N 3.13Å; E198-Q200 VanDerWaalsContact C-N 3.34Å; E198-Q200 PolarHBondContact O-N 3Å; E198-S201 PolarHBondContact O-N 3.05Å; E198-S201 VanDerWaalsContact O-N 3.13Å; E198-S201 PolarHBondContact O-OG 3.48Å; E198-I202 HydrophobicContact CG-CD1 4.08Å; E198-I202 WeakPolarHBondContact O-CG1 3.46Å; E198-I202 PolarHBondContact O-N 3.37Å |
| 199 | A | 82.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.6 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P193 D195 D196 S201 I202 C203 F228 L232 | P193-A199 HydrophobicContact CB-CB 4.1Å; P193-A199 HydrophobicContact CG-CB 4.16Å; D195-A199 PolarHBondContact O-N 2.99Å; D195-A199 VanDerWaalsContact O-N 3.16Å; D196-A199 PolarHBondContact O-N 2.88Å; A199-S201 PolarHBondContact O-N 3.39Å; A199-I202 PolarHBondContact O-N 2.88Å; A199-C203 WeakPolarHBondContact O-CB 3.37Å; A199-C203 PolarHBondContact O-N 2.97Å; A199-C203 PolarHBondContact O-SG 2.86Å; A199-F228 HydrophobicContact CB-CB 4.46Å; A199-L232 HydrophobicContact CB-CD2 4.32Å |
| 200 | Q | 83.4 | Confident | 82.9 | Confident | 55 Ų | 55 | 61 Ų | 61 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 174.1 | -75 | -179.6 | -9.5 | 0 | 0 | 111.8 | D196 E198 I202 C203 E204 L232 Y238 | D196-Q200 WeakPolarHBondContact O-CG 3.36Å; D196-Q200 PolarHBondContact O-N 2.87Å; E198-Q200 VanDerWaalsContact C-N 3.34Å; E198-Q200 PolarHBondContact O-N 3Å; Q200-I202 VanDerWaalsContact C-N 3.3Å; Q200-I202 PolarHBondContact O-N 3.47Å; Q200-C203 PolarHBondContact O-N 2.72Å; Q200-E204 WeakPolarHBondContact O-CG 3.45Å; Q200-E204 PolarHBondContact O-N 3.33Å; Q200-L232 HydrophobicContact CG-CD2 3.47Å; Q200-L232 VanDerWaalsContact CG-CD2 3.47Å; Q200-Y238 HydrophobicContact CG-CD1 4.21Å; Q200-Y238 HydrophobicContact CG-CE1 4.37Å |
| 201 | S | 84.8 | Confident | 83.2 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 179.4 | 77.1 | 0 | 0 | 0 | 0 | 112.6 | R197 E198 A199 R205 | R197-S201 PolarHBondContact O-N 2.93Å; E198-S201 PolarHBondContact O-N 3.05Å; E198-S201 VanDerWaalsContact O-N 3.13Å; E198-S201 PolarHBondContact O-OG 3.48Å; A199-S201 PolarHBondContact O-N 3.39Å; S201-R205 VanDerWaalsContact O-CG 3.24Å; S201-R205 WeakPolarHBondContact O-CG 3.35Å; S201-R205 PolarHBondContact O-N 3.21Å |
| 202 | I | 85.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 176 | -62.5 | 165.4 | 0 | 0 | 0 | 109.9 | I166 L170 Y191 P193 E198 A199 Q200 E204 R205 V206 F228 | I166-I202 HydrophobicContact CG2-CD1 4.31Å; I166-I202 HydrophobicContact CG2-CG1 4.44Å; L170-I202 HydrophobicContact CD1-CG1 4.11Å; L170-I202 HydrophobicContact CD2-CG2 4.31Å; Y191-I202 HydrophobicContact CD1-CD1 4.44Å; Y191-I202 HydrophobicContact CE1-CD1 4.34Å; P193-I202 HydrophobicContact CG-CD1 4.2Å; E198-I202 HydrophobicContact CG-CD1 4.08Å; E198-I202 WeakPolarHBondContact O-CG1 3.46Å; E198-I202 PolarHBondContact O-N 3.37Å; A199-I202 PolarHBondContact O-N 2.88Å; Q200-I202 VanDerWaalsContact C-N 3.3Å; Q200-I202 PolarHBondContact O-N 3.47Å; I202-E204 VanDerWaalsContact C-N 3.31Å; I202-E204 PolarHBondContact O-N 3.48Å; I202-R205 PolarHBondContact O-N 3.34Å; I202-R205 VanDerWaalsContact O-N 3.11Å; I202-V206 HydrophobicContact CG2-CG2 4.14Å; I202-V206 WeakPolarHBondContact O-CG2 3.48Å; I202-V206 PolarHBondContact O-N 3.22Å; I202-F228 HydrophobicContact CB-CE2 4.33Å; I202-F228 HydrophobicContact CD1-CE2 4.42Å; I202-F228 HydrophobicContact CG2-CD2 4.21Å; I202-F228 HydrophobicContact CG2-CE2 3.69Å |
| 203 | C | 85.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 177.3 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | A199 Q200 R205 V206 T207 L225 Y238 L242 | A199-C203 WeakPolarHBondContact O-CB 3.37Å; A199-C203 PolarHBondContact O-N 2.97Å; A199-C203 PolarHBondContact O-SG 2.86Å; Q200-C203 PolarHBondContact O-N 2.72Å; C203-R205 VanDerWaalsContact C-N 3.33Å; C203-R205 PolarHBondContact O-N 3.14Å; C203-V206 PolarHBondContact O-N 2.86Å; C203-T207 WeakPolarHBondContact O-CB 3.37Å; C203-T207 PolarHBondContact O-N 3Å; C203-T207 PolarHBondContact O-OG1 3.2Å; C203-L225 HydrophobicContact CB-CD2 3.84Å; C203-Y238 HydrophobicContact CB-CE1 4.12Å; C203-Y238 VanDerWaalsContact CB-OH 3.32Å; C203-Y238 WeakPolarHBondContact CB-OH 3.35Å; C203-L242 HydrophobicContact CB-CD1 4.01Å |
| 204 | E | 85.5 | Confident | 83.9 | Confident | 117 Ų | 117 | 67.1 Ų | 67.1 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 175.7 | -72.4 | -172.9 | 166.6 | 0 | 0 | 112.4 | Q200 I202 P208 Y238 | Q200-E204 WeakPolarHBondContact O-CG 3.45Å; Q200-E204 PolarHBondContact O-N 3.33Å; I202-E204 VanDerWaalsContact C-N 3.31Å; I202-E204 PolarHBondContact O-N 3.48Å; E204-P208 WeakPolarHBondContact O-CD 3.5Å; E204-Y238 HydrophobicContact CG-CE2 3.63Å; E204-Y238 WeakPolarHBondContact CG-OH 3.47Å; E204-Y238 PolarHBondContact N-OH 3.12Å; E204-Y238 VanDerWaalsContact N-OH 3.13Å |
| 205 | R | 85.8 | Confident | 84.3 | Confident | 149 Ų | 149 | 59.5 Ų | 59.5 | 56% | 0.562 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73.1 | -30.4 | 178.1 | -64.6 | -71.2 | -174.7 | 169.6 | 2.5 | 112.8 | L170 S201 I202 C203 P208 | L170-R205 HydrophobicContact CD1-CB 4.47Å; L170-R205 HydrophobicContact CD1-CG 4.42Å; L170-R205 HydrophobicContact CD2-CB 4.1Å; S201-R205 VanDerWaalsContact O-CG 3.24Å; S201-R205 WeakPolarHBondContact O-CG 3.35Å; S201-R205 PolarHBondContact O-N 3.21Å; I202-R205 PolarHBondContact O-N 3.34Å; I202-R205 VanDerWaalsContact O-N 3.11Å; C203-R205 VanDerWaalsContact C-N 3.33Å; C203-R205 PolarHBondContact O-N 3.14Å; R205-P208 WeakPolarHBondContact O-CD 3.46Å |
| 206 | V | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.5 | -28.7 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 112 | L170 L185 I202 C203 P208 R209 A221 L225 | L170-V206 HydrophobicContact CD2-CG2 4.5Å; L185-V206 HydrophobicContact CD2-CG1 3.98Å; L185-V206 HydrophobicContact CD2-CG2 4.02Å; I202-V206 HydrophobicContact CG2-CG2 4.14Å; I202-V206 WeakPolarHBondContact O-CG2 3.48Å; I202-V206 PolarHBondContact O-N 3.22Å; C203-V206 PolarHBondContact O-N 2.86Å; V206-P208 VanDerWaalsContact C-CD 3.45Å; V206-R209 VanDerWaalsContact O-CB 3.25Å; V206-R209 WeakPolarHBondContact O-CB 3.39Å; V206-R209 PolarHBondContact O-N 2.93Å; V206-A221 HydrophobicContact CG1-CB 3.74Å; V206-L225 HydrophobicContact CB-CD2 4.22Å; V206-L225 HydrophobicContact CG1-CD2 4.13Å; V206-L225 HydrophobicContact CG1-CG 4.15Å |
| 207 | T | 86.3 | Confident | 85.1 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.172 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -49.4 | -43.5 | -177.4 | -64.1 | 0 | 0 | 0 | 0 | 114.3 | C203 R209 L210 K245 | C203-T207 WeakPolarHBondContact O-CB 3.37Å; C203-T207 PolarHBondContact O-N 3Å; C203-T207 PolarHBondContact O-OG1 3.2Å; T207-R209 PolarHBondContact O-N 3.49Å; T207-R209 VanDerWaalsContact O-N 3.13Å; T207-L210 WeakPolarHBondContact O-CB 3.47Å; T207-L210 WeakPolarHBondContact O-CG 3.3Å; T207-L210 PolarHBondContact O-N 3.32Å; T207-L210 VanDerWaalsContact O-N 3.13Å; T207-K245 HydrophobicContact CG2-CD 4.08Å |
| 208 | P | 88.3 | Confident | 85.5 | Confident | 67 Ų | 67 | 45 Ų | 45 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -62.8 | -16.9 | 177.2 | -23.3 | 34.6 | 0 | 0 | 0 | 114.9 | E204 R205 V206 L210 S211 | E204-P208 WeakPolarHBondContact O-CD 3.5Å; R205-P208 WeakPolarHBondContact O-CD 3.46Å; V206-P208 VanDerWaalsContact C-CD 3.45Å; P208-L210 VanDerWaalsContact C-N 3.28Å; P208-S211 PolarHBondContact O-OG 3.27Å |
| 209 | R | 85.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -77.2 | -14.6 | 176.9 | -59.4 | -61.7 | 87.4 | 173 | 7.9 | 113 | L173 Q181 V206 T207 S211 H212 V217 A221 | L173-R209 HydrophobicContact CD2-CG 4.23Å; Q181-R209 VanDerWaalsContact OE1-CD 3.23Å; V206-R209 VanDerWaalsContact O-CB 3.25Å; V206-R209 WeakPolarHBondContact O-CB 3.39Å; V206-R209 PolarHBondContact O-N 2.93Å; T207-R209 PolarHBondContact O-N 3.49Å; T207-R209 VanDerWaalsContact O-N 3.13Å; R209-S211 PolarHBondContact O-N 3.42Å; R209-H212 VanDerWaalsContact O-CB 3.31Å; R209-H212 WeakPolarHBondContact O-CB 3.14Å; R209-H212 PolarHBondContact O-N 2.78Å; R209-V217 HydrophobicContact CB-CG1 4.26Å; R209-A221 HydrophobicContact CB-CB 4.16Å |
| 210 | L | 84 | Confident | 85.9 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -65.7 | -23.2 | 177.3 | -69 | 175.8 | 0 | 0 | 0 | 113.4 | T207 P208 A221 V222 L225 L246 P249 | T207-L210 WeakPolarHBondContact O-CB 3.47Å; T207-L210 WeakPolarHBondContact O-CG 3.3Å; T207-L210 PolarHBondContact O-N 3.32Å; T207-L210 VanDerWaalsContact O-N 3.13Å; P208-L210 VanDerWaalsContact C-N 3.28Å; L210-A221 HydrophobicContact CD2-CB 4.18Å; L210-V222 HydrophobicContact CD2-CG2 3.88Å; L210-L225 HydrophobicContact CD1-CD1 3.8Å; L210-L225 HydrophobicContact CD2-CD1 3.97Å; L210-L225 HydrophobicContact CG-CD1 4.11Å; L210-L246 HydrophobicContact CD1-CD1 4.23Å; L210-L246 HydrophobicContact CD2-CD1 4.03Å; L210-P249 HydrophobicContact CB-CB 4.17Å; L210-P249 HydrophobicContact CB-CG 3.65Å; L210-P249 HydrophobicContact CD1-CG 4.27Å; L210-P249 HydrophobicContact CD2-CB 4.5Å; L210-P249 HydrophobicContact CD2-CG 4.48Å; L210-P249 HydrophobicContact CG-CG 4.36Å |
| 211 | S | 85.7 | Confident | 86.1 | Confident | 108 Ų | 108 | 41.6 Ų | 41.6 | 76% | 0.755 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -97.7 | 18.4 | 177.2 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | P208 R209 | P208-S211 PolarHBondContact O-OG 3.27Å; R209-S211 PolarHBondContact O-N 3.42Å |
| 212 | H | 86.4 | Confident | 86.3 | Confident | 47 Ų | 47 | 39.2 Ų | 39.2 | 22% | 0.218 | 23% | 0.226 | C | C | . | . | trans | -70.6 | 148.9 | 179.8 | -157.5 | -78.3 | 0 | 0 | 0 | 111.2 | E178 R209 N214 V217 V218 | E178-H212 VanDerWaalsContact CG-CE1 3.46Å; E178-H212 WeakPolarHBondContact CG-CE1 3.39Å; R209-H212 VanDerWaalsContact O-CB 3.31Å; R209-H212 WeakPolarHBondContact O-CB 3.14Å; R209-H212 PolarHBondContact O-N 2.78Å; H212-N214 PolarHBondContact ND1-N 3.07Å; H212-N214 VanDerWaalsContact ND1-N 3.17Å; H212-N214 PolarHBondContact O-N 2.99Å; H212-V217 HydrophobicContact CB-CB 4.25Å; H212-V217 HydrophobicContact CB-CG1 4.1Å; H212-V218 HydrophobicContact CB-CG2 4.31Å | ||
| 213 | A | 81.9 | Confident | 86.4 | Confident | 106 Ų | 106 | 40 Ų | 40 | 88% | 0.876 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -67.7 | -15.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 214 | N | 85.9 | Confident | 86.5 | Confident | 54 Ų | 54 | 40 Ų | 40 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | trans | -105.9 | 118.6 | -174.7 | -176.1 | -18.3 | 0 | 0 | 0 | 109.3 | H212 A216 V217 V218 | H212-N214 PolarHBondContact ND1-N 3.07Å; H212-N214 VanDerWaalsContact ND1-N 3.17Å; H212-N214 PolarHBondContact O-N 2.99Å; N214-A216 PolarHBondContact O-N 2.74Å; N214-A216 WeakPolarHBondContact OD1-CB 3.48Å; N214-A216 PolarHBondContact OD1-N 3.34Å; N214-V217 HydrophobicContact CB-CG2 4.09Å; N214-V217 PolarHBondContact O-N 2.92Å; N214-V217 VanDerWaalsContact O-N 3.17Å; N214-V218 PolarHBondContact O-N 3.28Å | ||
| 215 | S | 84.8 | Confident | 86.6 | Confident | 32 Ų | 32 | 34.4 Ų | 34.4 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -30.6 | -178.6 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | V218 L219 L253 V260 | S215-V218 PolarHBondContact O-N 3.47Å; S215-L219 WeakPolarHBondContact O-CG 3.46Å; S215-L219 PolarHBondContact O-N 2.55Å; S215-L253 WeakPolarHBondContact OG-CD2 3.13Å; S215-V260 WeakPolarHBondContact OG-CG1 3.49Å |
| 216 | A | 85.8 | Confident | 86.5 | Confident | 41 Ų | 41 | 27.4 Ų | 27.4 | 34% | 0.339 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I182 N214 V218 S220 | I182-A216 HydrophobicContact CD1-CB 3.68Å; I182-A216 HydrophobicContact CG1-CB 4.49Å; N214-A216 PolarHBondContact O-N 2.74Å; N214-A216 WeakPolarHBondContact OD1-CB 3.48Å; N214-A216 PolarHBondContact OD1-N 3.34Å; A216-V218 VanDerWaalsContact C-N 3.35Å; A216-S220 WeakPolarHBondContact O-CB 3.36Å; A216-S220 PolarHBondContact O-N 2.79Å; A216-S220 PolarHBondContact O-OG 3.39Å |
| 217 | V | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 175 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | E178 Q181 I182 L185 R209 H212 N214 S220 A221 | E178-V217 HydrophobicContact CB-CG2 4.14Å; Q181-V217 HydrophobicContact CB-CG1 4.38Å; I182-V217 HydrophobicContact CD1-CG2 4.21Å; I182-V217 HydrophobicContact CG1-CG2 3.92Å; L185-V217 HydrophobicContact CD1-CG1 4.26Å; R209-V217 HydrophobicContact CB-CG1 4.26Å; H212-V217 HydrophobicContact CB-CB 4.25Å; H212-V217 HydrophobicContact CB-CG1 4.1Å; N214-V217 HydrophobicContact CB-CG2 4.09Å; N214-V217 PolarHBondContact O-N 2.92Å; N214-V217 VanDerWaalsContact O-N 3.17Å; V217-S220 PolarHBondContact O-N 3.28Å; V217-A221 WeakPolarHBondContact O-CB 3.43Å; V217-A221 PolarHBondContact O-N 3.28Å |
| 218 | V | 89.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 178 | -180 | 0 | 0 | 0 | 0 | 111 | H212 N214 S215 A216 S220 A221 V222 P249 L253 | H212-V218 HydrophobicContact CB-CG2 4.31Å; N214-V218 PolarHBondContact O-N 3.28Å; S215-V218 PolarHBondContact O-N 3.47Å; A216-V218 VanDerWaalsContact C-N 3.35Å; V218-S220 VanDerWaalsContact C-N 3.35Å; V218-S220 PolarHBondContact O-N 3.37Å; V218-A221 WeakPolarHBondContact O-CB 3.46Å; V218-A221 PolarHBondContact O-N 2.98Å; V218-V222 HydrophobicContact CG1-CG2 4.38Å; V218-V222 WeakPolarHBondContact O-CG2 3.4Å; V218-V222 PolarHBondContact O-N 2.98Å; V218-P249 HydrophobicContact CG1-CB 4.21Å; V218-L253 HydrophobicContact CB-CD2 4.2Å; V218-L253 HydrophobicContact CG1-CD1 3.94Å; V218-L253 HydrophobicContact CG1-CD2 4.21Å; V218-L253 HydrophobicContact CG1-CG 4.24Å |
| 219 | L | 86.4 | Confident | 85.8 | Confident | 12 Ų | 12 | 23.6 Ų | 23.6 | 6% | 0.063 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 178.9 | -70.5 | 174.1 | 0 | 0 | 0 | 112.4 | S215 V222 K223 L253 V263 N267 | S215-L219 WeakPolarHBondContact O-CG 3.46Å; S215-L219 PolarHBondContact O-N 2.55Å; L219-V222 PolarHBondContact O-N 3Å; L219-K223 PolarHBondContact O-N 3.07Å; L219-L253 HydrophobicContact CD2-CD1 3.91Å; L219-L253 HydrophobicContact CG-CD1 4.31Å; L219-V263 HydrophobicContact CD1-CG1 3.89Å; L219-N267 HydrophobicContact CD2-CB 4.2Å |
| 220 | S | 86.5 | Confident | 85.3 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.1 | -54 | 0 | 0 | 0 | 0 | 111.6 | A216 V217 V218 K223 V224 | A216-S220 WeakPolarHBondContact O-CB 3.36Å; A216-S220 PolarHBondContact O-N 2.79Å; A216-S220 PolarHBondContact O-OG 3.39Å; V217-S220 PolarHBondContact O-N 3.28Å; V218-S220 VanDerWaalsContact C-N 3.35Å; V218-S220 PolarHBondContact O-N 3.37Å; S220-K223 WeakPolarHBondContact O-CB 3.35Å; S220-K223 PolarHBondContact O-N 2.95Å; S220-V224 WeakPolarHBondContact O-CG2 3.45Å; S220-V224 PolarHBondContact O-N 3.25Å; S220-V224 VanDerWaalsContact O-N 3.15Å |
| 221 | A | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L185 V206 R209 L210 V217 V218 K223 V224 L225 | L185-A221 HydrophobicContact CD1-CB 4.27Å; V206-A221 HydrophobicContact CG1-CB 3.74Å; R209-A221 HydrophobicContact CB-CB 4.16Å; L210-A221 HydrophobicContact CD2-CB 4.18Å; V217-A221 WeakPolarHBondContact O-CB 3.43Å; V217-A221 PolarHBondContact O-N 3.28Å; V218-A221 WeakPolarHBondContact O-CB 3.46Å; V218-A221 PolarHBondContact O-N 2.98Å; A221-K223 VanDerWaalsContact C-N 3.33Å; A221-K223 PolarHBondContact O-N 3Å; A221-V224 PolarHBondContact O-N 3.08Å; A221-L225 WeakPolarHBondContact O-CB 3.36Å; A221-L225 VanDerWaalsContact O-CG 3.26Å; A221-L225 WeakPolarHBondContact O-CG 3.32Å; A221-L225 PolarHBondContact O-N 3.35Å |
| 222 | V | 88.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L210 V218 L219 V224 L225 M226 L246 L250 I271 | L210-V222 HydrophobicContact CD2-CG2 3.88Å; V218-V222 HydrophobicContact CG1-CG2 4.38Å; V218-V222 WeakPolarHBondContact O-CG2 3.4Å; V218-V222 PolarHBondContact O-N 2.98Å; L219-V222 PolarHBondContact O-N 3Å; V222-V224 PolarHBondContact O-N 3.22Å; V222-L225 PolarHBondContact O-N 3.24Å; V222-M226 HydrophobicContact CG1-CG 4.01Å; V222-M226 WeakPolarHBondContact O-CB 3.34Å; V222-M226 VanDerWaalsContact O-CG 3.22Å; V222-M226 WeakPolarHBondContact O-CG 3.38Å; V222-M226 PolarHBondContact O-N 3.31Å; V222-L246 HydrophobicContact CG1-CD1 4.43Å; V222-L246 HydrophobicContact CG2-CD1 3.88Å; V222-L250 HydrophobicContact CG2-CD2 4.35Å; V222-I271 HydrophobicContact CG1-CD1 3.79Å |
| 223 | K | 87.8 | Confident | 83.6 | Confident | 17 Ų | 17 | 21.6 Ų | 21.6 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -53.8 | -53.1 | 174.6 | -179.8 | -159.5 | -61.5 | 176.1 | 0 | 111.4 | D186 L219 S220 A221 L225 M226 K227 I529 | D186-K223 IonicContact OD1-NZ 2.78Å; D186-K223 PolarHBondContact OD1-NZ 2.81Å; L219-K223 PolarHBondContact O-N 3.07Å; S220-K223 WeakPolarHBondContact O-CB 3.35Å; S220-K223 PolarHBondContact O-N 2.95Å; A221-K223 VanDerWaalsContact C-N 3.33Å; A221-K223 PolarHBondContact O-N 3Å; K223-L225 PolarHBondContact O-N 3.39Å; K223-M226 PolarHBondContact O-N 2.88Å; K223-K227 PolarHBondContact O-N 3.47Å; K223-I529 HydrophobicContact CB-CB 4.01Å; K223-I529 HydrophobicContact CB-CG2 4.19Å; K223-I529 WeakPolarHBondContact CE-O 3.38Å; K223-I529 HydrophobicContact CG-CB 4.29Å; K223-I529 PolarHBondContact NZ-O 2.97Å |
| 224 | V | 86.9 | Confident | 83 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | -179.4 | 176 | 0 | 0 | 0 | 0 | 111.1 | L185 L188 S220 A221 V222 K227 F228 | L185-V224 HydrophobicContact CB-CG2 4.26Å; L185-V224 HydrophobicContact CD2-CG2 4.23Å; L185-V224 WeakPolarHBondContact O-CG2 2.95Å; L188-V224 HydrophobicContact CB-CG1 4.4Å; L188-V224 HydrophobicContact CB-CG2 4.37Å; S220-V224 WeakPolarHBondContact O-CG2 3.45Å; S220-V224 PolarHBondContact O-N 3.25Å; S220-V224 VanDerWaalsContact O-N 3.15Å; A221-V224 PolarHBondContact O-N 3.08Å; V222-V224 PolarHBondContact O-N 3.22Å; V224-K227 PolarHBondContact O-N 3.2Å; V224-F228 HydrophobicContact CG1-CD2 3.69Å; V224-F228 HydrophobicContact CG1-CE2 3.3Å; V224-F228 HydrophobicContact CG1-CZ 4.03Å; V224-F228 WeakPolarHBondContact O-CG 3.42Å; V224-F228 PolarHBondContact O-N 3.36Å |
| 225 | L | 86.8 | Confident | 82 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 179.4 | -67.3 | -179.9 | 0 | 0 | 0 | 112 | C203 V206 L210 A221 V222 K223 K227 F228 L229 L242 L246 | C203-L225 HydrophobicContact CB-CD2 3.84Å; V206-L225 HydrophobicContact CB-CD2 4.22Å; V206-L225 HydrophobicContact CG1-CD2 4.13Å; V206-L225 HydrophobicContact CG1-CG 4.15Å; L210-L225 HydrophobicContact CD1-CD1 3.8Å; L210-L225 HydrophobicContact CD2-CD1 3.97Å; L210-L225 HydrophobicContact CG-CD1 4.11Å; A221-L225 WeakPolarHBondContact O-CB 3.36Å; A221-L225 VanDerWaalsContact O-CG 3.26Å; A221-L225 WeakPolarHBondContact O-CG 3.32Å; A221-L225 PolarHBondContact O-N 3.35Å; V222-L225 PolarHBondContact O-N 3.24Å; K223-L225 PolarHBondContact O-N 3.39Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 3.19Å; L225-F228 PolarHBondContact O-N 2.96Å; L225-L229 VanDerWaalsContact O-CB 3.32Å; L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 PolarHBondContact O-N 3.44Å; L225-L242 HydrophobicContact CB-CD2 4.48Å; L225-L242 HydrophobicContact CD1-CD2 4.48Å; L225-L242 HydrophobicContact CD2-CD1 4.27Å; L225-L246 HydrophobicContact CD1-CD1 4.21Å |
| 226 | M | 83.4 | Confident | 81.7 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 178 | -73.8 | -62.8 | -65.4 | 0 | 0 | 111.8 | V222 K223 L229 L246 I271 R275 I278 I526 | V222-M226 HydrophobicContact CG1-CG 4.01Å; V222-M226 WeakPolarHBondContact O-CB 3.34Å; V222-M226 VanDerWaalsContact O-CG 3.22Å; V222-M226 WeakPolarHBondContact O-CG 3.38Å; V222-M226 PolarHBondContact O-N 3.31Å; K223-M226 PolarHBondContact O-N 2.88Å; M226-L229 WeakPolarHBondContact O-CB 3.45Å; M226-L229 PolarHBondContact O-N 2.96Å; M226-L229 HydrophobicContact SD-CD2 4.5Å; M226-L246 HydrophobicContact SD-CD2 3.91Å; M226-I271 HydrophobicContact CE-CG2 4.39Å; M226-R275 HydrophobicContact CE-CG 4.05Å; M226-I278 HydrophobicContact SD-CD1 4.31Å; M226-I526 HydrophobicContact CB-CG2 4.05Å |
| 227 | K | 83.6 | Confident | 81.4 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.1 | -173.8 | -174 | 179.2 | -165 | 0 | 111.7 | S189 Y191 N192 K223 V224 L225 L229 E230 L555 | S189-K227 VanDerWaalsContact O-CD 3.31Å; S189-K227 WeakPolarHBondContact O-CD 3.12Å; S189-K227 WeakPolarHBondContact O-CE 3.46Å; S189-K227 PolarHBondContact O-NZ 3.21Å; Y191-K227 PolarHBondContact O-NZ 3.3Å; N192-K227 WeakPolarHBondContact OD1-CE 3.49Å; N192-K227 PolarHBondContact OD1-NZ 2.9Å; K223-K227 PolarHBondContact O-N 3.47Å; V224-K227 PolarHBondContact O-N 3.2Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 3.19Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 3.44Å; K227-E230 PolarHBondContact O-N 3.02Å; K227-L555 HydrophobicContact CG-CD2 4.34Å |
| 228 | F | 82.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -76.2 | -18.7 | -178.8 | -61.3 | -24.4 | 0 | 0 | 0 | 113.1 | L188 P193 A199 I202 V224 L225 E230 L231 L232 | L188-F228 WeakPolarHBondContact O-CZ 3.49Å; P193-F228 HydrophobicContact CG-CD1 3.89Å; P193-F228 HydrophobicContact CG-CE1 3.57Å; P193-F228 HydrophobicContact CG-CE2 4.46Å; P193-F228 HydrophobicContact CG-CG 4.5Å; P193-F228 HydrophobicContact CG-CZ 3.88Å; A199-F228 HydrophobicContact CB-CB 4.46Å; I202-F228 HydrophobicContact CB-CE2 4.33Å; I202-F228 HydrophobicContact CD1-CE2 4.42Å; I202-F228 HydrophobicContact CG2-CD2 4.21Å; I202-F228 HydrophobicContact CG2-CE2 3.69Å; V224-F228 HydrophobicContact CG1-CD2 3.69Å; V224-F228 HydrophobicContact CG1-CE2 3.3Å; V224-F228 HydrophobicContact CG1-CZ 4.03Å; V224-F228 WeakPolarHBondContact O-CG 3.42Å; V224-F228 PolarHBondContact O-N 3.36Å; L225-F228 PolarHBondContact O-N 2.96Å; F228-E230 PolarHBondContact O-N 3.34Å; F228-L231 HydrophobicContact CD1-CD1 4.18Å; F228-L231 WeakPolarHBondContact O-CB 3.24Å; F228-L231 PolarHBondContact O-N 3.49Å; F228-L231 VanDerWaalsContact O-N 3.1Å; F228-L232 WeakPolarHBondContact O-CG 3.37Å; F228-L232 PolarHBondContact O-N 3.46Å |
| 229 | L | 80.9 | Confident | 80.8 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -31.5 | 172.9 | -125.7 | 66.6 | 0 | 0 | 0 | 113.1 | L225 M226 K227 L231 L232 Y239 L242 L243 | L225-L229 VanDerWaalsContact O-CB 3.32Å; L225-L229 WeakPolarHBondContact O-CB 3.4Å; L225-L229 PolarHBondContact O-N 3.44Å; M226-L229 WeakPolarHBondContact O-CB 3.45Å; M226-L229 PolarHBondContact O-N 2.96Å; M226-L229 HydrophobicContact SD-CD2 4.5Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 3.44Å; L229-L231 VanDerWaalsContact C-N 3.25Å; L229-L231 PolarHBondContact O-N 3.15Å; L229-L232 HydrophobicContact CD1-CD1 4.33Å; L229-L232 PolarHBondContact O-N 2.68Å; L229-Y239 HydrophobicContact CB-CE2 4.31Å; L229-Y239 HydrophobicContact CD1-CD2 4.47Å; L229-Y239 HydrophobicContact CD2-CE2 3.98Å; L229-Y239 HydrophobicContact CG-CD2 3.93Å; L229-Y239 HydrophobicContact CG-CE2 3.58Å; L229-Y239 WeakPolarHBondContact O-CE2 3.2Å; L229-L242 HydrophobicContact CD1-CB 4.43Å; L229-L242 HydrophobicContact CD1-CD1 3.73Å; L229-L242 HydrophobicContact CD1-CD2 3.41Å; L229-L242 VanDerWaalsContact CD1-CD2 3.41Å; L229-L242 HydrophobicContact CD1-CG 4.03Å; L229-L242 HydrophobicContact CD2-CD2 4.42Å; L229-L243 HydrophobicContact CD2-CD2 3.57Å; L229-L243 HydrophobicContact CD2-CG 4.38Å |
| 230 | E | 76.4 | Confident | 80.6 | Confident | 49 Ų | 49 | 37 Ų | 37 | 23% | 0.229 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.3 | 176.8 | -62.7 | -60.6 | 156.5 | 0 | 0 | 113 | K227 F228 K274 R275 L555 | K227-E230 PolarHBondContact O-N 3.02Å; F228-E230 PolarHBondContact O-N 3.34Å; E230-K274 WeakPolarHBondContact OE1-CE 3.46Å; E230-K274 IonicContact OE1-NZ 3.42Å; E230-R275 IonicContact OE1-CZ 3.14Å; E230-R275 IonicContact OE1-NE 2.79Å; E230-R275 IonicContact OE1-NH2 3.23Å; E230-R275 PolarHBondContact OE1-NH2 3.03Å; E230-R275 IonicContact OE2-NH2 2.99Å; E230-R275 PolarHBondContact OE2-NH2 3.31Å; E230-L555 HydrophobicContact CG-CD1 4.11Å; E230-L555 HydrophobicContact CG-CD2 3.95Å; E230-L555 HydrophobicContact CG-CG 4.41Å |
| 231 | L | 73.8 | Confident | 80.6 | Confident | 44 Ų | 44 | 40.4 Ų | 40.4 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -26.1 | 175.7 | -69.9 | 168.2 | 0 | 0 | 0 | 112.3 | P193 F228 L229 P556 | P193-L231 HydrophobicContact CB-CD1 4.5Å; P193-L231 HydrophobicContact CG-CD1 4.31Å; F228-L231 HydrophobicContact CD1-CD1 4.18Å; F228-L231 WeakPolarHBondContact O-CB 3.24Å; F228-L231 PolarHBondContact O-N 3.49Å; F228-L231 VanDerWaalsContact O-N 3.1Å; L229-L231 VanDerWaalsContact C-N 3.25Å; L229-L231 PolarHBondContact O-N 3.15Å; L231-P556 HydrophobicContact CD1-CG 4.09Å; L231-P556 HydrophobicContact CD2-CB 3.42Å; L231-P556 VanDerWaalsContact CD2-CB 3.42Å; L231-P556 HydrophobicContact CD2-CG 3.74Å; L231-P556 HydrophobicContact CG-CB 4.06Å; L231-P556 HydrophobicContact CG-CG 3.85Å |
| 232 | L | 74.5 | Confident | 80.3 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -78.1 | 141 | -175.5 | -63.7 | 179 | 0 | 0 | 0 | 111.6 | A199 Q200 F228 L229 K234 Y238 Y239 | A199-L232 HydrophobicContact CB-CD2 4.32Å; Q200-L232 HydrophobicContact CG-CD2 3.47Å; Q200-L232 VanDerWaalsContact CG-CD2 3.47Å; F228-L232 WeakPolarHBondContact O-CG 3.37Å; F228-L232 PolarHBondContact O-N 3.46Å; L229-L232 HydrophobicContact CD1-CD1 4.33Å; L229-L232 PolarHBondContact O-N 2.68Å; L232-K234 PolarHBondContact O-N 2.62Å; L232-Y238 HydrophobicContact CD1-CD1 4.08Å; L232-Y238 HydrophobicContact CD1-CE1 4.17Å; L232-Y239 HydrophobicContact CB-CD2 4.13Å |
| 233 | P | 71.8 | Confident | 80 | Confident | 64 Ų | 64 | 41.1 Ų | 41.1 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | trans | -62.6 | 127.6 | 174.5 | 21.3 | -28.2 | 0 | 0 | 0 | 110.3 | D235 S236 | P233-D235 PolarHBondContact O-N 3.2Å; P233-D235 VanDerWaalsContact O-N 3.13Å; P233-S236 VanDerWaalsContact O-CB 3.25Å; P233-S236 WeakPolarHBondContact O-CB 3.24Å; P233-S236 PolarHBondContact O-N 3.25Å | ||
| 234 | K | 69.6 | Low | 79.8 | Confident | 139 Ų | 139 | 48.1 Ų | 48.1 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.7 | -176.8 | -63 | 178.5 | -176.1 | 176 | 0 | 113.1 | L232 S236 | L232-K234 PolarHBondContact O-N 2.62Å; K234-S236 VanDerWaalsContact C-N 3.3Å; K234-S236 PolarHBondContact O-N 3.46Å |
| 235 | D | 65.6 | Low | 79.7 | Confident | 157 Ų | 157 | 52.7 Ų | 52.7 | 84% | 0.84 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2.4 | 179.9 | -58.8 | -38.8 | 0 | 0 | 0 | 113.5 | P233 D237 | P233-D235 PolarHBondContact O-N 3.2Å; P233-D235 VanDerWaalsContact O-N 3.13Å; D235-D237 PolarHBondContact O-N 2.95Å |
| 236 | S | 77.9 | Confident | 79.6 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | trans | -70.4 | 131.4 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | P233 K234 Y238 Y239 N240 | P233-S236 VanDerWaalsContact O-CB 3.25Å; P233-S236 WeakPolarHBondContact O-CB 3.24Å; P233-S236 PolarHBondContact O-N 3.25Å; K234-S236 VanDerWaalsContact C-N 3.3Å; K234-S236 PolarHBondContact O-N 3.46Å; S236-Y238 PolarHBondContact O-N 2.8Å; S236-Y238 VanDerWaalsContact O-N 3.16Å; S236-Y238 WeakPolarHBondContact OG-CB 3.28Å; S236-Y238 PolarHBondContact OG-N 3.28Å; S236-Y239 VanDerWaalsContact O-CB 3.3Å; S236-Y239 WeakPolarHBondContact O-CB 3.07Å; S236-Y239 PolarHBondContact O-N 3.01Å; S236-N240 PolarHBondContact O-N 3.27Å | ||
| 237 | D | 80.3 | Confident | 79.6 | Confident | 143 Ų | 143 | 52.7 Ų | 52.7 | 77% | 0.765 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55.8 | -31.7 | 169.9 | -69.5 | -41.2 | 0 | 0 | 0 | 112.1 | D235 N240 M241 | D235-D237 PolarHBondContact O-N 2.95Å; D237-N240 PolarHBondContact O-N 2.98Å; D237-M241 WeakPolarHBondContact O-CB 3.45Å; D237-M241 PolarHBondContact O-N 3.24Å |
| 238 | Y | 81.5 | Confident | 79.8 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 11% | 0.106 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 176.2 | -175.3 | -92.1 | 0 | 0 | 0 | 112.1 | Q200 C203 E204 L232 S236 M241 L242 | Q200-Y238 HydrophobicContact CG-CD1 4.21Å; Q200-Y238 HydrophobicContact CG-CE1 4.37Å; C203-Y238 HydrophobicContact CB-CE1 4.12Å; C203-Y238 VanDerWaalsContact CB-OH 3.32Å; C203-Y238 WeakPolarHBondContact CB-OH 3.35Å; E204-Y238 HydrophobicContact CG-CE2 3.63Å; E204-Y238 WeakPolarHBondContact CG-OH 3.47Å; E204-Y238 PolarHBondContact N-OH 3.12Å; E204-Y238 VanDerWaalsContact N-OH 3.13Å; L232-Y238 HydrophobicContact CD1-CD1 4.08Å; L232-Y238 HydrophobicContact CD1-CE1 4.17Å; S236-Y238 PolarHBondContact O-N 2.8Å; S236-Y238 VanDerWaalsContact O-N 3.16Å; S236-Y238 WeakPolarHBondContact OG-CB 3.28Å; S236-Y238 PolarHBondContact OG-N 3.28Å; Y238-M241 HydrophobicContact CD2-CE 3.55Å; Y238-M241 HydrophobicContact CE2-CE 3.69Å; Y238-M241 HydrophobicContact CG-CE 4.47Å; Y238-M241 PolarHBondContact O-N 2.91Å; Y238-L242 HydrophobicContact CE1-CD1 3.84Å; Y238-L242 WeakPolarHBondContact O-CB 3.43Å; Y238-L242 PolarHBondContact O-N 2.82Å |
| 239 | Y | 83 | Confident | 79.9 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 176.6 | 178.9 | -88.1 | 0 | 0 | 0 | 110.7 | L229 L232 S236 M241 L242 L243 R275 | L229-Y239 HydrophobicContact CB-CE2 4.31Å; L229-Y239 HydrophobicContact CD1-CD2 4.47Å; L229-Y239 HydrophobicContact CD2-CE2 3.98Å; L229-Y239 HydrophobicContact CG-CD2 3.93Å; L229-Y239 HydrophobicContact CG-CE2 3.58Å; L229-Y239 WeakPolarHBondContact O-CE2 3.2Å; L232-Y239 HydrophobicContact CB-CD2 4.13Å; S236-Y239 VanDerWaalsContact O-CB 3.3Å; S236-Y239 WeakPolarHBondContact O-CB 3.07Å; S236-Y239 PolarHBondContact O-N 3.01Å; Y239-M241 PolarHBondContact O-N 3.17Å; Y239-L242 PolarHBondContact O-N 2.78Å; Y239-L243 HydrophobicContact CD1-CD1 3.87Å; Y239-L243 HydrophobicContact CD1-CG 4.39Å; Y239-L243 HydrophobicContact CE1-CD1 3.38Å; Y239-L243 HydrophobicContact CE1-CG 4.09Å; Y239-L243 WeakPolarHBondContact O-CG 3.5Å; Y239-L243 PolarHBondContact O-N 2.83Å; Y239-R275 VanDerWaalsContact OH-CZ 3.29Å; Y239-R275 PolarHBondContact OH-NH1 3.44Å |
| 240 | N | 82.6 | Confident | 80.1 | Confident | 70 Ų | 70 | 56.2 Ų | 56.2 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 177.4 | -70.8 | -51.1 | 0 | 0 | 0 | 112.9 | S236 D237 L242 K244 | S236-N240 PolarHBondContact O-N 3.27Å; D237-N240 PolarHBondContact O-N 2.98Å; N240-L242 VanDerWaalsContact C-N 3.34Å; N240-K244 WeakPolarHBondContact O-CG 3.26Å; N240-K244 PolarHBondContact O-N 3.33Å |
| 241 | M | 85.1 | Confident | 80.6 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 38% | 0.384 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -42 | 173.4 | -177.8 | -178.6 | 64.5 | 0 | 0 | 111.3 | D237 Y238 Y239 K244 K245 | D237-M241 WeakPolarHBondContact O-CB 3.45Å; D237-M241 PolarHBondContact O-N 3.24Å; Y238-M241 HydrophobicContact CD2-CE 3.55Å; Y238-M241 HydrophobicContact CE2-CE 3.69Å; Y238-M241 HydrophobicContact CG-CE 4.47Å; Y238-M241 PolarHBondContact O-N 2.91Å; Y239-M241 PolarHBondContact O-N 3.17Å; M241-K244 PolarHBondContact O-N 2.89Å; M241-K245 HydrophobicContact CG-CD 4.32Å; M241-K245 WeakPolarHBondContact O-CG 3.43Å; M241-K245 PolarHBondContact O-N 2.93Å |
| 242 | L | 83.5 | Confident | 81.2 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.9 | -43.5 | -179 | -165.6 | 157.7 | 0 | 0 | 0 | 111.5 | C203 L225 L229 Y238 Y239 N240 K244 K245 L246 | C203-L242 HydrophobicContact CB-CD1 4.01Å; L225-L242 HydrophobicContact CB-CD2 4.48Å; L225-L242 HydrophobicContact CD1-CD2 4.48Å; L225-L242 HydrophobicContact CD2-CD1 4.27Å; L229-L242 HydrophobicContact CD1-CB 4.43Å; L229-L242 HydrophobicContact CD1-CD1 3.73Å; L229-L242 HydrophobicContact CD1-CD2 3.41Å; L229-L242 VanDerWaalsContact CD1-CD2 3.41Å; L229-L242 HydrophobicContact CD1-CG 4.03Å; L229-L242 HydrophobicContact CD2-CD2 4.42Å; Y238-L242 HydrophobicContact CE1-CD1 3.84Å; Y238-L242 WeakPolarHBondContact O-CB 3.43Å; Y238-L242 PolarHBondContact O-N 2.82Å; Y239-L242 PolarHBondContact O-N 2.78Å; N240-L242 VanDerWaalsContact C-N 3.34Å; L242-K244 VanDerWaalsContact C-N 3.31Å; L242-K244 PolarHBondContact O-N 3Å; L242-K245 CarbonylContact O-C 3.58Å; L242-K245 PolarHBondContact O-N 3.44Å; L242-L246 PolarHBondContact O-N 2.85Å |
| 243 | L | 82.1 | Confident | 81.8 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.9 | -45.9 | 173.6 | -69.9 | 177.7 | 0 | 0 | 0 | 112 | L229 Y239 K245 L246 I278 | L229-L243 HydrophobicContact CD2-CD2 3.57Å; L229-L243 HydrophobicContact CD2-CG 4.38Å; Y239-L243 HydrophobicContact CD1-CD1 3.87Å; Y239-L243 HydrophobicContact CD1-CG 4.39Å; Y239-L243 HydrophobicContact CE1-CD1 3.38Å; Y239-L243 HydrophobicContact CE1-CG 4.09Å; Y239-L243 WeakPolarHBondContact O-CG 3.5Å; Y239-L243 PolarHBondContact O-N 2.83Å; L243-K245 VanDerWaalsContact C-N 3.32Å; L243-K245 PolarHBondContact O-N 2.84Å; L243-L246 PolarHBondContact O-N 2.92Å; L243-I278 HydrophobicContact CD2-CD1 4.06Å; L243-I278 HydrophobicContact CD2-CG1 3.65Å |
| 244 | K | 83.8 | Confident | 82.4 | Confident | 163 Ų | 163 | 55.3 Ų | 55.3 | 71% | 0.709 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.1 | -33.7 | 176.7 | -71 | 176 | -177.4 | 175.5 | 0 | 113 | N240 M241 L242 L246 P248 | N240-K244 WeakPolarHBondContact O-CG 3.26Å; N240-K244 PolarHBondContact O-N 3.33Å; M241-K244 PolarHBondContact O-N 2.89Å; L242-K244 VanDerWaalsContact C-N 3.31Å; L242-K244 PolarHBondContact O-N 3Å; K244-L246 VanDerWaalsContact C-N 3.31Å; K244-P248 VanDerWaalsContact O-CD 3.31Å; K244-P248 WeakPolarHBondContact O-CD 3.44Å |
| 245 | K | 84.9 | Confident | 83.2 | Confident | 96 Ų | 96 | 53.5 Ų | 53.5 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -75.4 | -19.3 | 176.6 | -75.6 | -177.8 | -179.7 | 179.5 | 0 | 113.2 | T207 M241 L242 L243 P249 | T207-K245 HydrophobicContact CG2-CD 4.08Å; M241-K245 HydrophobicContact CG-CD 4.32Å; M241-K245 WeakPolarHBondContact O-CG 3.43Å; M241-K245 PolarHBondContact O-N 2.93Å; L242-K245 CarbonylContact O-C 3.58Å; L242-K245 PolarHBondContact O-N 3.44Å; L243-K245 VanDerWaalsContact C-N 3.32Å; L243-K245 PolarHBondContact O-N 2.84Å; K245-P249 WeakPolarHBondContact O-CD 3.48Å; K245-P249 WeakPolarHBondContact O-CG 3.28Å |
| 246 | L | 84.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -80.6 | -27.6 | -178.4 | -158.6 | 65.7 | 0 | 0 | 0 | 112.8 | L210 V222 L225 M226 L242 L243 K244 P249 L250 I278 | L210-L246 HydrophobicContact CD1-CD1 4.23Å; L210-L246 HydrophobicContact CD2-CD1 4.03Å; V222-L246 HydrophobicContact CG1-CD1 4.43Å; V222-L246 HydrophobicContact CG2-CD1 3.88Å; L225-L246 HydrophobicContact CD1-CD1 4.21Å; M226-L246 HydrophobicContact SD-CD2 3.91Å; L242-L246 PolarHBondContact O-N 2.85Å; L243-L246 PolarHBondContact O-N 2.92Å; K244-L246 VanDerWaalsContact C-N 3.31Å; L246-P249 WeakPolarHBondContact O-CD 3.35Å; L246-L250 HydrophobicContact CG-CD1 4.36Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.32Å; L246-I278 HydrophobicContact CB-CG2 4.28Å; L246-I278 HydrophobicContact CD2-CD1 4.08Å |
| 247 | A | 84.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -49.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | L250 V251 I278 L279 | A247-L250 PolarHBondContact O-N 3.4Å; A247-V251 WeakPolarHBondContact O-CG2 3.39Å; A247-V251 PolarHBondContact O-N 3.32Å; A247-V251 VanDerWaalsContact O-N 3.09Å; A247-I278 HydrophobicContact CB-CG2 4.3Å; A247-I278 WeakPolarHBondContact CB-O 3.16Å; A247-L279 HydrophobicContact CB-CD2 3.92Å |
| 248 | P | 86.7 | Confident | 85 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | -177.9 | -19.1 | 29.7 | 0 | 0 | 0 | 114.1 | K244 L250 V251 T252 | K244-P248 VanDerWaalsContact O-CD 3.31Å; K244-P248 WeakPolarHBondContact O-CD 3.44Å; P248-L250 VanDerWaalsContact C-N 3.34Å; P248-L250 PolarHBondContact O-N 3.35Å; P248-V251 WeakPolarHBondContact O-CB 3.29Å; P248-V251 PolarHBondContact O-N 2.76Å; P248-V251 VanDerWaalsContact O-N 3.14Å; P248-T252 WeakPolarHBondContact O-CG2 3.4Å; P248-T252 PolarHBondContact O-N 3.2Å |
| 249 | P | 85.9 | Confident | 85.4 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.6 | -46.1 | 173.5 | -27.7 | 34.6 | 0 | 0 | 0 | 113.3 | L210 V218 K245 L246 V251 T252 L253 | L210-P249 HydrophobicContact CB-CB 4.17Å; L210-P249 HydrophobicContact CB-CG 3.65Å; L210-P249 HydrophobicContact CD1-CG 4.27Å; L210-P249 HydrophobicContact CD2-CB 4.5Å; L210-P249 HydrophobicContact CD2-CG 4.48Å; L210-P249 HydrophobicContact CG-CG 4.36Å; V218-P249 HydrophobicContact CG1-CB 4.21Å; K245-P249 WeakPolarHBondContact O-CD 3.48Å; K245-P249 WeakPolarHBondContact O-CG 3.28Å; L246-P249 WeakPolarHBondContact O-CD 3.35Å; P249-V251 VanDerWaalsContact C-N 3.28Å; P249-V251 PolarHBondContact O-N 2.79Å; P249-T252 WeakPolarHBondContact CA-OG1 3Å; P249-T252 PolarHBondContact O-N 3.26Å; P249-T252 VanDerWaalsContact O-N 3.11Å; P249-T252 PolarHBondContact O-OG1 3.39Å; P249-L253 WeakPolarHBondContact O-CG 3.22Å; P249-L253 PolarHBondContact O-N 3.38Å |
| 250 | L | 85.3 | Confident | 85.7 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | 178.2 | -65.4 | 175.2 | 0 | 0 | 0 | 111.4 | V222 L246 A247 P248 L253 L254 I268 I271 I278 L279 | V222-L250 HydrophobicContact CG2-CD2 4.35Å; L246-L250 HydrophobicContact CG-CD1 4.36Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.32Å; A247-L250 PolarHBondContact O-N 3.4Å; P248-L250 VanDerWaalsContact C-N 3.34Å; P248-L250 PolarHBondContact O-N 3.35Å; L250-L253 HydrophobicContact CD2-CD1 4.41Å; L250-L253 PolarHBondContact O-N 2.73Å; L250-L254 VanDerWaalsContact O-CD1 3.31Å; L250-L254 WeakPolarHBondContact O-CD1 3.43Å; L250-L254 PolarHBondContact O-N 3.44Å; L250-I268 HydrophobicContact CB-CD1 4.11Å; L250-I268 HydrophobicContact CB-CG1 4.36Å; L250-I268 HydrophobicContact CD1-CG1 4.5Å; L250-I268 HydrophobicContact CD2-CD1 4.45Å; L250-I268 HydrophobicContact CD2-CG1 4.03Å; L250-I271 HydrophobicContact CD1-CD1 4.33Å; L250-I271 HydrophobicContact CD2-CD1 4.07Å; L250-I278 HydrophobicContact CD1-CG2 4.21Å; L250-L279 HydrophobicContact CB-CD2 4.45Å; L250-L279 HydrophobicContact CD1-CD1 4.13Å; L250-L279 HydrophobicContact CD1-CD2 4.38Å; L250-L279 HydrophobicContact CD1-CG 4.45Å |
| 251 | V | 85.8 | Confident | 86 | Confident | 36 Ų | 36 | 50.9 Ų | 50.9 | 22% | 0.218 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 112 | A247 P248 P249 L253 L254 E282 V285 | A247-V251 WeakPolarHBondContact O-CG2 3.39Å; A247-V251 PolarHBondContact O-N 3.32Å; A247-V251 VanDerWaalsContact O-N 3.09Å; P248-V251 WeakPolarHBondContact O-CB 3.29Å; P248-V251 PolarHBondContact O-N 2.76Å; P248-V251 VanDerWaalsContact O-N 3.14Å; P249-V251 VanDerWaalsContact C-N 3.28Å; P249-V251 PolarHBondContact O-N 2.79Å; V251-L253 VanDerWaalsContact C-N 3.29Å; V251-L253 PolarHBondContact O-N 2.81Å; V251-L254 WeakPolarHBondContact O-CB 3.47Å; V251-L254 PolarHBondContact O-N 2.97Å; V251-E282 HydrophobicContact CG2-CB 4.27Å; V251-E282 HydrophobicContact CG2-CG 4.14Å; V251-V285 HydrophobicContact CG1-CB 4.36Å; V251-V285 HydrophobicContact CG1-CG1 3.72Å; V251-V285 HydrophobicContact CG2-CG1 4.1Å; V251-V285 HydrophobicContact CG2-CG2 4.32Å |
| 252 | T | 87.1 | Confident | 86.3 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -33.9 | 176.9 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | P248 P249 L254 S255 | P248-T252 WeakPolarHBondContact O-CG2 3.4Å; P248-T252 PolarHBondContact O-N 3.2Å; P249-T252 WeakPolarHBondContact CA-OG1 3Å; P249-T252 PolarHBondContact O-N 3.26Å; P249-T252 VanDerWaalsContact O-N 3.11Å; P249-T252 PolarHBondContact O-OG1 3.39Å; T252-L254 VanDerWaalsContact C-N 3.25Å; T252-L254 PolarHBondContact O-N 3.25Å; T252-S255 WeakPolarHBondContact O-CB 3.4Å; T252-S255 PolarHBondContact O-N 3.04Å |
| 253 | L | 85.6 | Confident | 86.7 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -32.5 | 174.8 | -65.8 | 177.8 | 0 | 0 | 0 | 112.3 | S215 V218 L219 P249 L250 V251 S255 G256 A264 | S215-L253 WeakPolarHBondContact OG-CD2 3.13Å; V218-L253 HydrophobicContact CB-CD2 4.2Å; V218-L253 HydrophobicContact CG1-CD1 3.94Å; V218-L253 HydrophobicContact CG1-CD2 4.21Å; V218-L253 HydrophobicContact CG1-CG 4.24Å; L219-L253 HydrophobicContact CD2-CD1 3.91Å; L219-L253 HydrophobicContact CG-CD1 4.31Å; P249-L253 WeakPolarHBondContact O-CG 3.22Å; P249-L253 PolarHBondContact O-N 3.38Å; L250-L253 HydrophobicContact CD2-CD1 4.41Å; L250-L253 PolarHBondContact O-N 2.73Å; V251-L253 VanDerWaalsContact C-N 3.29Å; V251-L253 PolarHBondContact O-N 2.81Å; L253-S255 PolarHBondContact O-N 3.38Å; L253-G256 PolarHBondContact O-N 3.08Å; L253-A264 HydrophobicContact CB-CB 3.71Å; L253-A264 HydrophobicContact CD1-CB 4.38Å |
| 254 | L | 85.9 | Confident | 87.1 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -11.6 | 174.4 | -94.3 | 71.6 | 0 | 0 | 0 | 113.7 | L250 V251 T252 Q261 A264 L265 I268 V285 F286 | L250-L254 VanDerWaalsContact O-CD1 3.31Å; L250-L254 WeakPolarHBondContact O-CD1 3.43Å; L250-L254 PolarHBondContact O-N 3.44Å; V251-L254 WeakPolarHBondContact O-CB 3.47Å; V251-L254 PolarHBondContact O-N 2.97Å; T252-L254 VanDerWaalsContact C-N 3.25Å; T252-L254 PolarHBondContact O-N 3.25Å; L254-Q261 VanDerWaalsContact O-CD 3.24Å; L254-Q261 WeakPolarHBondContact O-CG 3.5Å; L254-Q261 PolarHBondContact O-NE2 2.95Å; L254-Q261 VanDerWaalsContact O-NE2 3.15Å; L254-A264 HydrophobicContact CD1-CB 4.25Å; L254-L265 HydrophobicContact CD1-CD2 4.31Å; L254-L265 HydrophobicContact CD2-CD2 3.99Å; L254-L265 HydrophobicContact CG-CD2 4.2Å; L254-L265 HydrophobicContact CG-CG 4.49Å; L254-I268 HydrophobicContact CD1-CD1 3.2Å; L254-V285 HydrophobicContact CD2-CG2 4.02Å; L254-F286 HydrophobicContact CD2-CD1 3.84Å; L254-F286 HydrophobicContact CD2-CE1 3.62Å; L254-F286 HydrophobicContact CD2-CZ 4.34Å |
| 255 | S | 85.6 | Confident | 87.4 | Confident | 100 Ų | 100 | 44.3 Ų | 44.3 | 70% | 0.699 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0.6 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | T252 L253 | T252-S255 WeakPolarHBondContact O-CB 3.4Å; T252-S255 PolarHBondContact O-N 3.04Å; L253-S255 PolarHBondContact O-N 3.38Å |
| 256 | G | 84.3 | Confident | 87.7 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 37% | 0.371 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -78 | -160.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L253 Q261 | L253-G256 PolarHBondContact O-N 3.08Å; G256-Q261 PolarHBondContact O-NE2 2.83Å |
| 257 | E | 88.3 | Confident | 87.9 | Confident | 126 Ų | 126 | 41.4 Ų | 41.4 | 59% | 0.589 | 24% | 0.238 | S | C | * | . | trans | -70 | 152.7 | 175.5 | -64.2 | 175.9 | 143.4 | 0 | 0 | 111.8 | E259 V260 Q261 | E257-E259 VanDerWaalsContact C-N 3.27Å; E257-E259 WeakPolarHBondContact CB-OE1 3.25Å; E257-E259 PolarHBondContact O-N 3.19Å; E257-E259 VanDerWaalsContact O-N 3.14Å; E257-V260 WeakPolarHBondContact O-CB 3.29Å; E257-V260 PolarHBondContact O-N 3.21Å; E257-Q261 WeakPolarHBondContact O-CG 3.44Å; E257-Q261 PolarHBondContact O-N 2.81Å | ||
| 258 | P | 88.4 | Confident | 88.2 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.1 | -36 | -172.7 | -27.6 | 35.7 | 0 | 0 | 0 | 115.3 | Q261 Y262 P293 | P258-Q261 PolarHBondContact O-N 3.31Å; P258-Y262 WeakPolarHBondContact O-CB 3.45Å; P258-Y262 PolarHBondContact O-N 3.28Å; P258-P293 HydrophobicContact CB-CG 4.14Å |
| 259 | E | 89.8 | Confident | 88.2 | Confident | 101 Ų | 101 | 38 Ų | 38 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69 | -40.9 | 176.5 | 60.6 | -78 | -174 | 0 | 0 | 112.2 | E257 Y262 V263 | E257-E259 VanDerWaalsContact C-N 3.27Å; E257-E259 WeakPolarHBondContact CB-OE1 3.25Å; E257-E259 PolarHBondContact O-N 3.19Å; E257-E259 VanDerWaalsContact O-N 3.14Å; E259-Y262 PolarHBondContact O-N 2.95Å; E259-V263 WeakPolarHBondContact O-CG2 3.41Å; E259-V263 PolarHBondContact O-N 3.17Å |
| 260 | V | 89.4 | Confident | 88.3 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.4 | -40.8 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 110 | S215 E257 Y262 V263 A264 | S215-V260 WeakPolarHBondContact OG-CG1 3.49Å; E257-V260 WeakPolarHBondContact O-CB 3.29Å; E257-V260 PolarHBondContact O-N 3.21Å; V260-Y262 VanDerWaalsContact C-N 3.33Å; V260-Y262 PolarHBondContact O-N 2.77Å; V260-V263 PolarHBondContact O-N 2.97Å; V260-A264 VanDerWaalsContact O-CB 3.27Å; V260-A264 WeakPolarHBondContact O-CB 3.18Å; V260-A264 PolarHBondContact O-N 3.47Å |
| 261 | Q | 89.7 | Confident | 88.4 | Confident | 24 Ų | 24 | 37.3 Ų | 37.3 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.3 | -67.7 | -180 | 8.9 | 0 | 0 | 111 | L254 G256 E257 P258 A264 L265 | L254-Q261 VanDerWaalsContact O-CD 3.24Å; L254-Q261 WeakPolarHBondContact O-CG 3.5Å; L254-Q261 PolarHBondContact O-NE2 2.95Å; L254-Q261 VanDerWaalsContact O-NE2 3.15Å; G256-Q261 PolarHBondContact O-NE2 2.83Å; E257-Q261 WeakPolarHBondContact O-CG 3.44Å; E257-Q261 PolarHBondContact O-N 2.81Å; P258-Q261 PolarHBondContact O-N 3.31Å; Q261-A264 PolarHBondContact O-N 3.18Å; Q261-L265 WeakPolarHBondContact O-CB 3.49Å; Q261-L265 VanDerWaalsContact O-CG 3.22Å; Q261-L265 WeakPolarHBondContact O-CG 3.32Å; Q261-L265 PolarHBondContact O-N 3.03Å |
| 262 | Y | 91.4 | Very high | 88.4 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61 | -49.6 | 177.7 | -178.8 | -108.5 | 0 | 0 | 0 | 111.4 | P258 E259 V260 A264 L265 R266 Y295 E299 | P258-Y262 WeakPolarHBondContact O-CB 3.45Å; P258-Y262 PolarHBondContact O-N 3.28Å; E259-Y262 PolarHBondContact O-N 2.95Å; V260-Y262 VanDerWaalsContact C-N 3.33Å; V260-Y262 PolarHBondContact O-N 2.77Å; Y262-A264 VanDerWaalsContact C-N 3.28Å; Y262-A264 PolarHBondContact O-N 3.25Å; Y262-L265 PolarHBondContact O-N 2.89Å; Y262-R266 HydrophobicContact CD1-CG 4.38Å; Y262-R266 HydrophobicContact CD2-CG 4.43Å; Y262-R266 HydrophobicContact CE1-CG 4.02Å; Y262-R266 HydrophobicContact CE2-CG 4.09Å; Y262-R266 VanDerWaalsContact O-CG 3.29Å; Y262-R266 WeakPolarHBondContact O-CG 3.48Å; Y262-R266 PolarHBondContact O-N 3.32Å; Y262-Y295 AromaticContact CD2-CD2 3.61Å; Y262-Y295 HydrophobicContact CD2-CD2 3.61Å; Y262-Y295 HydrophobicContact CD2-CE2 4.41Å; Y262-Y295 HydrophobicContact CD2-CG 4.48Å; Y262-Y295 HydrophobicContact CE2-CD2 4.19Å; Y262-Y295 AromaticContact CG-CD2 3.95Å; Y262-Y295 HydrophobicContact CG-CD2 3.95Å; Y262-Y295 HydrophobicContact CG-CE2 4.34Å; Y262-E299 HydrophobicContact CD2-CG 4.12Å; Y262-E299 HydrophobicContact CE2-CG 3.71Å |
| 263 | V | 91 | Very high | 88.3 | Confident | 48 Ų | 48 | 33.6 Ų | 33.6 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.8 | -41.4 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L219 E259 V260 N267 V535 | L219-V263 HydrophobicContact CD1-CG1 3.89Å; E259-V263 WeakPolarHBondContact O-CG2 3.41Å; E259-V263 PolarHBondContact O-N 3.17Å; V260-V263 PolarHBondContact O-N 2.97Å; V263-N267 PolarHBondContact O-N 3.11Å; V263-N267 VanDerWaalsContact O-N 3.16Å; V263-N267 PolarHBondContact O-ND2 2.99Å; V263-V535 HydrophobicContact CG1-CG2 3.93Å |
| 264 | A | 90.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L253 L254 V260 Q261 Y262 R266 N267 I268 | L253-A264 HydrophobicContact CB-CB 3.71Å; L253-A264 HydrophobicContact CD1-CB 4.38Å; L254-A264 HydrophobicContact CD1-CB 4.25Å; V260-A264 VanDerWaalsContact O-CB 3.27Å; V260-A264 WeakPolarHBondContact O-CB 3.18Å; V260-A264 PolarHBondContact O-N 3.47Å; Q261-A264 PolarHBondContact O-N 3.18Å; Y262-A264 VanDerWaalsContact C-N 3.28Å; Y262-A264 PolarHBondContact O-N 3.25Å; A264-R266 PolarHBondContact O-N 3.24Å; A264-N267 PolarHBondContact O-N 2.82Å; A264-I268 WeakPolarHBondContact O-CB 3.44Å; A264-I268 WeakPolarHBondContact O-CD1 3.2Å; A264-I268 VanDerWaalsContact O-CG1 3.23Å; A264-I268 WeakPolarHBondContact O-CG1 3.47Å; A264-I268 PolarHBondContact O-N 3.02Å |
| 265 | L | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 178.4 | -73.8 | 163.7 | 0 | 0 | 0 | 111.7 | L254 Q261 Y262 N267 I268 N269 F286 V296 E299 K300 I303 | L254-L265 HydrophobicContact CD1-CD2 4.31Å; L254-L265 HydrophobicContact CD2-CD2 3.99Å; L254-L265 HydrophobicContact CG-CD2 4.2Å; L254-L265 HydrophobicContact CG-CG 4.49Å; Q261-L265 WeakPolarHBondContact O-CB 3.49Å; Q261-L265 VanDerWaalsContact O-CG 3.22Å; Q261-L265 WeakPolarHBondContact O-CG 3.32Å; Q261-L265 PolarHBondContact O-N 3.03Å; Y262-L265 PolarHBondContact O-N 2.89Å; L265-N267 VanDerWaalsContact C-N 3.33Å; L265-N267 PolarHBondContact O-N 3.44Å; L265-I268 PolarHBondContact O-N 3.22Å; L265-N269 WeakPolarHBondContact O-CB 3.48Å; L265-N269 PolarHBondContact O-N 3.4Å; L265-F286 HydrophobicContact CD2-CD1 3.89Å; L265-F286 HydrophobicContact CD2-CE1 3.89Å; L265-V296 HydrophobicContact CD1-CB 4.37Å; L265-V296 HydrophobicContact CD1-CG1 3.74Å; L265-V296 HydrophobicContact CD1-CG2 4.41Å; L265-E299 HydrophobicContact CB-CB 3.98Å; L265-E299 HydrophobicContact CD1-CB 4.3Å; L265-K300 HydrophobicContact CD1-CG 3.98Å; L265-K300 HydrophobicContact CD2-CG 3.88Å; L265-I303 HydrophobicContact CB-CD1 4.22Å; L265-I303 HydrophobicContact CD2-CD1 3.65Å |
| 266 | R | 90.3 | Very high | 87.8 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | 176.7 | -64.8 | -66.8 | -70.4 | 172.2 | -0.3 | 112.2 | Y262 A264 L270 E299 V535 H537 | Y262-R266 HydrophobicContact CD1-CG 4.38Å; Y262-R266 HydrophobicContact CD2-CG 4.43Å; Y262-R266 HydrophobicContact CE1-CG 4.02Å; Y262-R266 HydrophobicContact CE2-CG 4.09Å; Y262-R266 VanDerWaalsContact O-CG 3.29Å; Y262-R266 WeakPolarHBondContact O-CG 3.48Å; Y262-R266 PolarHBondContact O-N 3.32Å; A264-R266 PolarHBondContact O-N 3.24Å; R266-L270 PolarHBondContact O-N 3.02Å; R266-E299 WeakPolarHBondContact CD-OE1 3.39Å; R266-E299 WeakPolarHBondContact CD-OE2 3.48Å; R266-E299 IonicContact CZ-OE1 2.79Å; R266-E299 IonicContact NE-OE1 3.7Å; R266-E299 IonicContact NH1-OE1 3.56Å; R266-E299 PolarHBondContact NH1-OE1 2.99Å; R266-E299 IonicContact NH1-OE2 3.42Å; R266-E299 PolarHBondContact NH1-OE2 3.33Å; R266-V535 HydrophobicContact CB-CG1 4.4Å; R266-V535 HydrophobicContact CG-CG1 4.35Å; R266-V535 PolarHBondContact NE-O 3.37Å; R266-V535 PolarHBondContact NH2-O 3.25Å; R266-V535 VanDerWaalsContact NH2-O 3.15Å; R266-H537 PolarHBondContact NH1-CE1 2.85Å; R266-H537 VanDerWaalsContact NH1-CE1 3.33Å; R266-H537 PolarHBondContact NH1-ND1 3.48Å; R266-H537 PolarHBondContact NH2-CE1 3.29Å; R266-H537 PolarHBondContact NH2-ND1 3.45Å; R266-H537 PolarHBondContact O-NE2 3.05Å |
| 267 | N | 89.2 | Confident | 87.7 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.1 | -38.1 | 175.2 | -72.9 | -64.9 | 0 | 0 | 0 | 112.1 | L219 V263 A264 L265 N269 L270 I271 G530 S534 | L219-N267 HydrophobicContact CD2-CB 4.2Å; V263-N267 PolarHBondContact O-N 3.11Å; V263-N267 VanDerWaalsContact O-N 3.16Å; V263-N267 PolarHBondContact O-ND2 2.99Å; A264-N267 PolarHBondContact O-N 2.82Å; L265-N267 VanDerWaalsContact C-N 3.33Å; L265-N267 PolarHBondContact O-N 3.44Å; N267-N269 VanDerWaalsContact C-N 3.3Å; N267-N269 PolarHBondContact O-N 3.41Å; N267-L270 WeakPolarHBondContact O-CB 3.42Å; N267-L270 PolarHBondContact O-N 3.33Å; N267-I271 WeakPolarHBondContact O-CG1 3.43Å; N267-I271 PolarHBondContact O-N 2.81Å; N267-G530 PolarHBondContact OD1-N 3.01Å; N267-S534 PolarHBondContact OD1-OG 3.25Å |
| 268 | I | 89.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -37.7 | 175.3 | -75.3 | 162.3 | 0 | 0 | 0 | 110.9 | L250 L254 A264 L265 L270 I271 V272 L279 F286 I303 | L250-I268 HydrophobicContact CB-CD1 4.11Å; L250-I268 HydrophobicContact CB-CG1 4.36Å; L250-I268 HydrophobicContact CD1-CG1 4.5Å; L250-I268 HydrophobicContact CD2-CD1 4.45Å; L250-I268 HydrophobicContact CD2-CG1 4.03Å; L254-I268 HydrophobicContact CD1-CD1 3.2Å; A264-I268 WeakPolarHBondContact O-CB 3.44Å; A264-I268 WeakPolarHBondContact O-CD1 3.2Å; A264-I268 VanDerWaalsContact O-CG1 3.23Å; A264-I268 WeakPolarHBondContact O-CG1 3.47Å; A264-I268 PolarHBondContact O-N 3.02Å; L265-I268 PolarHBondContact O-N 3.22Å; I268-L270 VanDerWaalsContact C-N 3.3Å; I268-L270 PolarHBondContact O-N 3.25Å; I268-I271 PolarHBondContact O-N 3.18Å; I268-I271 VanDerWaalsContact O-N 3.14Å; I268-V272 HydrophobicContact CG2-CG2 3.9Å; I268-V272 WeakPolarHBondContact O-CB 3.36Å; I268-V272 VanDerWaalsContact O-CG2 3.25Å; I268-V272 WeakPolarHBondContact O-CG2 3.42Å; I268-V272 PolarHBondContact O-N 2.89Å; I268-L279 HydrophobicContact CG1-CD1 4.46Å; I268-L279 HydrophobicContact CG2-CD1 3.52Å; I268-F286 HydrophobicContact CG2-CE1 4.05Å; I268-F286 HydrophobicContact CG2-CZ 3.94Å; I268-I303 HydrophobicContact CB-CD1 4.44Å; I268-I303 HydrophobicContact CG2-CD1 4.04Å; I268-I303 HydrophobicContact CG2-CG2 4.45Å |
| 269 | N | 88.6 | Confident | 87 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.9 | -44.9 | 174.9 | -171.5 | 2.8 | 0 | 0 | 0 | 111 | L265 N267 V272 Q273 I303 R306 | L265-N269 WeakPolarHBondContact O-CB 3.48Å; L265-N269 PolarHBondContact O-N 3.4Å; N267-N269 VanDerWaalsContact C-N 3.3Å; N267-N269 PolarHBondContact O-N 3.41Å; N269-V272 PolarHBondContact O-N 3.03Å; N269-Q273 VanDerWaalsContact O-CG 3.28Å; N269-Q273 WeakPolarHBondContact O-CG 3.33Å; N269-Q273 PolarHBondContact O-N 2.94Å; N269-Q273 PolarHBondContact OD1-NE2 2.59Å; N269-I303 HydrophobicContact CB-CD1 4.33Å; N269-I303 HydrophobicContact CB-CG1 4.11Å; N269-R306 WeakPolarHBondContact OD1-CD 3.43Å; N269-R306 PolarHBondContact OD1-NE 3.41Å; N269-R306 VanDerWaalsContact OD1-NE 3.17Å |
| 270 | L | 86.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 173.8 | -63 | 175.1 | 0 | 0 | 0 | 112.3 | R266 N267 I268 V272 Q273 K274 L522 L525 I526 S534 | R266-L270 PolarHBondContact O-N 3.02Å; N267-L270 WeakPolarHBondContact O-CB 3.42Å; N267-L270 PolarHBondContact O-N 3.33Å; I268-L270 VanDerWaalsContact C-N 3.3Å; I268-L270 PolarHBondContact O-N 3.25Å; L270-V272 VanDerWaalsContact C-N 3.34Å; L270-V272 PolarHBondContact O-N 2.88Å; L270-Q273 PolarHBondContact O-N 3.4Å; L270-K274 PolarHBondContact O-N 3.35Å; L270-L522 HydrophobicContact CB-CD1 4.3Å; L270-L522 HydrophobicContact CD2-CD1 3.99Å; L270-L525 HydrophobicContact CD1-CB 4.2Å; L270-L525 HydrophobicContact CD2-CD1 4.16Å; L270-I526 HydrophobicContact CB-CD1 4.36Å; L270-S534 WeakPolarHBondContact CD1-O 3.27Å |
| 271 | I | 87.1 | Confident | 86 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.9 | -66.3 | 165 | 0 | 0 | 0 | 110.8 | V222 M226 L250 N267 I268 Q273 K274 R275 I278 I529 | V222-I271 HydrophobicContact CG1-CD1 3.79Å; M226-I271 HydrophobicContact CE-CG2 4.39Å; L250-I271 HydrophobicContact CD1-CD1 4.33Å; L250-I271 HydrophobicContact CD2-CD1 4.07Å; N267-I271 WeakPolarHBondContact O-CG1 3.43Å; N267-I271 PolarHBondContact O-N 2.81Å; I268-I271 PolarHBondContact O-N 3.18Å; I268-I271 VanDerWaalsContact O-N 3.14Å; I271-Q273 VanDerWaalsContact C-N 3.34Å; I271-K274 PolarHBondContact O-N 3.26Å; I271-R275 CarbonylContact O-C 3.59Å; I271-R275 WeakPolarHBondContact O-CA 3.26Å; I271-R275 PolarHBondContact O-N 3.16Å; I271-I278 HydrophobicContact CG2-CD1 3.59Å; I271-I529 HydrophobicContact CG1-CD1 4.12Å |
| 272 | V | 87.2 | Confident | 85.6 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.9 | -36.2 | 178.9 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | I268 N269 L270 R275 P276 L279 I303 R306 L307 | I268-V272 HydrophobicContact CG2-CG2 3.9Å; I268-V272 WeakPolarHBondContact O-CB 3.36Å; I268-V272 VanDerWaalsContact O-CG2 3.25Å; I268-V272 WeakPolarHBondContact O-CG2 3.42Å; I268-V272 PolarHBondContact O-N 2.89Å; N269-V272 PolarHBondContact O-N 3.03Å; L270-V272 VanDerWaalsContact C-N 3.34Å; L270-V272 PolarHBondContact O-N 2.88Å; V272-R275 CarbonylContact O-C 3.59Å; V272-P276 WeakPolarHBondContact O-CA 3.45Å; V272-P276 WeakPolarHBondContact O-CD 3.42Å; V272-L279 HydrophobicContact CG2-CD1 4.13Å; V272-I303 HydrophobicContact CG2-CG2 4.44Å; V272-R306 HydrophobicContact CG1-CB 3.94Å; V272-L307 HydrophobicContact CG1-CD2 3.64Å; V272-L307 HydrophobicContact CG1-CG 4.12Å; V272-L307 HydrophobicContact CG2-CD2 4.09Å |
| 273 | Q | 84.6 | Confident | 85.3 | Confident | 38 Ų | 38 | 38.1 Ų | 38.1 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.2 | -73.4 | 175.7 | 49.4 | 0 | 0 | 111.9 | N269 L270 I271 L522 | N269-Q273 VanDerWaalsContact O-CG 3.28Å; N269-Q273 WeakPolarHBondContact O-CG 3.33Å; N269-Q273 PolarHBondContact O-N 2.94Å; N269-Q273 PolarHBondContact OD1-NE2 2.59Å; L270-Q273 PolarHBondContact O-N 3.4Å; I271-Q273 VanDerWaalsContact C-N 3.34Å; Q273-L522 HydrophobicContact CB-CD1 4.23Å; Q273-L522 HydrophobicContact CB-CD2 4.05Å |
| 274 | K | 84 | Confident | 85 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.3 | -43.2 | 178 | -172.5 | 70.6 | 178.6 | -178.8 | 0 | 112.2 | E230 L270 I271 L522 D523 I526 | E230-K274 WeakPolarHBondContact OE1-CE 3.46Å; E230-K274 IonicContact OE1-NZ 3.42Å; L270-K274 PolarHBondContact O-N 3.35Å; I271-K274 PolarHBondContact O-N 3.26Å; K274-L522 HydrophobicContact CB-CD2 3.99Å; K274-L522 HydrophobicContact CB-CG 4.44Å; K274-L522 HydrophobicContact CD-CD2 4.13Å; K274-L522 HydrophobicContact CD-CG 4.47Å; K274-D523 WeakPolarHBondContact CE-OD1 3.31Å; K274-D523 IonicContact NZ-OD1 3.11Å; K274-D523 PolarHBondContact NZ-OD1 3.44Å; K274-D523 IonicContact NZ-OD2 2.76Å; K274-D523 PolarHBondContact NZ-OD2 3.27Å; K274-I526 HydrophobicContact CB-CD1 4.18Å; K274-I526 HydrophobicContact CG-CG1 4.45Å |
| 275 | R | 83.6 | Confident | 84.8 | Confident | 40 Ų | 40 | 44.6 Ų | 44.6 | 15% | 0.151 | 21% | 0.21 | C | C | . | . | trans | -141.7 | 83.9 | -170.9 | -62.2 | -61.5 | 178 | 158.1 | 4.9 | 110.8 | M226 E230 Y239 I271 V272 E277 I278 | M226-R275 HydrophobicContact CE-CG 4.05Å; E230-R275 IonicContact OE1-CZ 3.14Å; E230-R275 IonicContact OE1-NE 2.79Å; E230-R275 IonicContact OE1-NH2 3.23Å; E230-R275 PolarHBondContact OE1-NH2 3.03Å; E230-R275 IonicContact OE2-NH2 2.99Å; E230-R275 PolarHBondContact OE2-NH2 3.31Å; Y239-R275 VanDerWaalsContact OH-CZ 3.29Å; Y239-R275 PolarHBondContact OH-NH1 3.44Å; I271-R275 CarbonylContact O-C 3.59Å; I271-R275 WeakPolarHBondContact O-CA 3.26Å; I271-R275 PolarHBondContact O-N 3.16Å; V272-R275 CarbonylContact O-C 3.59Å; R275-E277 PolarHBondContact O-N 3.39Å; R275-E277 VanDerWaalsContact O-N 3.14Å; R275-I278 HydrophobicContact CB-CD1 3.6Å; R275-I278 HydrophobicContact CB-CG1 4.17Å; R275-I278 HydrophobicContact CG-CD1 4.39Å | ||
| 276 | P | 79.8 | Confident | 84.7 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 46% | 0.455 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12 | -179.2 | 27.6 | -35.3 | 0 | 0 | 0 | 113.7 | V272 I278 | V272-P276 WeakPolarHBondContact O-CA 3.45Å; V272-P276 WeakPolarHBondContact O-CD 3.42Å; P276-I278 PolarHBondContact O-N 3.42Å |
| 277 | E | 80.7 | Confident | 84.7 | Confident | 135 Ų | 135 | 44.9 Ų | 44.9 | 63% | 0.631 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -26.6 | -177.9 | -61 | -175.4 | 167.1 | 0 | 0 | 113.7 | R275 L279 | R275-E277 PolarHBondContact O-N 3.39Å; R275-E277 VanDerWaalsContact O-N 3.14Å; E277-L279 PolarHBondContact O-N 2.85Å |
| 278 | I | 81.5 | Confident | 84.7 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -39.1 | -171.7 | -62.1 | 160.9 | 0 | 0 | 0 | 111.9 | M226 L243 L246 A247 L250 I271 R275 P276 | M226-I278 HydrophobicContact SD-CD1 4.31Å; L243-I278 HydrophobicContact CD2-CD1 4.06Å; L243-I278 HydrophobicContact CD2-CG1 3.65Å; L246-I278 HydrophobicContact CB-CG2 4.28Å; L246-I278 HydrophobicContact CD2-CD1 4.08Å; A247-I278 HydrophobicContact CB-CG2 4.3Å; A247-I278 WeakPolarHBondContact CB-O 3.16Å; L250-I278 HydrophobicContact CD1-CG2 4.21Å; I271-I278 HydrophobicContact CG2-CD1 3.59Å; R275-I278 HydrophobicContact CB-CD1 3.6Å; R275-I278 HydrophobicContact CB-CG1 4.17Å; R275-I278 HydrophobicContact CG-CD1 4.39Å; P276-I278 PolarHBondContact O-N 3.42Å |
| 279 | L | 81.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 19.9 | -170.6 | -64.8 | 175 | 0 | 0 | 0 | 113.6 | A247 L250 I268 V272 E277 Q281 E282 F286 L307 | A247-L279 HydrophobicContact CB-CD2 3.92Å; L250-L279 HydrophobicContact CB-CD2 4.45Å; L250-L279 HydrophobicContact CD1-CD1 4.13Å; L250-L279 HydrophobicContact CD1-CD2 4.38Å; L250-L279 HydrophobicContact CD1-CG 4.45Å; I268-L279 HydrophobicContact CG1-CD1 4.46Å; I268-L279 HydrophobicContact CG2-CD1 3.52Å; V272-L279 HydrophobicContact CG2-CD1 4.13Å; E277-L279 PolarHBondContact O-N 2.85Å; L279-Q281 VanDerWaalsContact C-N 3.25Å; L279-Q281 PolarHBondContact O-N 2.94Å; L279-E282 WeakPolarHBondContact CA-OE2 3.48Å; L279-E282 PolarHBondContact O-N 3.07Å; L279-F286 HydrophobicContact CB-CE2 4.49Å; L279-F286 HydrophobicContact CD1-CE2 4.43Å; L279-F286 HydrophobicContact CD1-CZ 3.93Å; L279-L307 HydrophobicContact CB-CD1 4.16Å; L279-L307 HydrophobicContact CB-CD2 4.44Å |
| 280 | K | 77.3 | Confident | 84.3 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -66.6 | -27.4 | -175.7 | -167.8 | 172 | -177.2 | 175.9 | 0 | 112.8 | ||
| 281 | Q | 79.6 | Confident | 84.3 | Confident | 176 Ų | 176 | 67.6 Ų | 67.6 | 82% | 0.822 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -91 | -21.1 | -176.4 | -61.6 | -175.9 | -1.4 | 0 | 0 | 112.3 | L279 | L279-Q281 VanDerWaalsContact C-N 3.25Å; L279-Q281 PolarHBondContact O-N 2.94Å |
| 282 | E | 81.9 | Confident | 84.4 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | trans | -96.3 | 16.7 | -169.9 | -64.3 | 76 | -169.9 | 0 | 0 | 113.5 | V251 L279 K284 V285 | V251-E282 HydrophobicContact CG2-CB 4.27Å; V251-E282 HydrophobicContact CG2-CG 4.14Å; L279-E282 WeakPolarHBondContact CA-OE2 3.48Å; L279-E282 PolarHBondContact O-N 3.07Å; E282-K284 PolarHBondContact O-N 2.83Å; E282-V285 HydrophobicContact CB-CG1 4.37Å; E282-V285 HydrophobicContact CB-CG2 4.44Å; E282-V285 WeakPolarHBondContact O-CG1 3.35Å; E282-V285 WeakPolarHBondContact O-CG2 3.3Å; E282-V285 PolarHBondContact O-N 2.88Å | ||
| 283 | I | 84.4 | Confident | 84.5 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 5% | 0.046 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -50.1 | -32.3 | -172.8 | -167.5 | 163.2 | 0 | 0 | 0 | 114.9 | V285 F286 F287 L307 N312 V316 | I283-V285 PolarHBondContact O-N 3.48Å; I283-F286 PolarHBondContact O-N 2.82Å; I283-F286 VanDerWaalsContact O-N 3.08Å; I283-F287 HydrophobicContact CG1-CE1 4.41Å; I283-L307 HydrophobicContact CD1-CB 4.35Å; I283-N312 HydrophobicContact CD1-CB 4.28Å; I283-N312 WeakPolarHBondContact CD1-ND2 3.31Å; I283-N312 HydrophobicContact CG2-CB 4.47Å; I283-V316 HydrophobicContact CD1-CG2 3.39Å; I283-V316 HydrophobicContact CG1-CG2 4.42Å |
| 284 | K | 85.3 | Confident | 84.8 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 62% | 0.617 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -60.5 | -25.4 | -179.7 | -63.4 | -176.5 | 179.1 | -177.6 | 0 | 113.9 | E282 F286 F287 | E282-K284 PolarHBondContact O-N 2.83Å; K284-F286 PolarHBondContact O-N 2.82Å; K284-F287 HydrophobicContact CB-CD2 4.41Å; K284-F287 HydrophobicContact CB-CE2 4.31Å; K284-F287 HydrophobicContact CG-CE2 4.02Å; K284-F287 HydrophobicContact CG-CZ 4.28Å; K284-F287 WeakPolarHBondContact O-CB 3.29Å; K284-F287 PolarHBondContact O-N 2.72Å |
| 285 | V | 85.8 | Confident | 85 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -69.6 | -21.8 | 179.4 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | V251 L254 E282 I283 | V251-V285 HydrophobicContact CG1-CB 4.36Å; V251-V285 HydrophobicContact CG1-CG1 3.72Å; V251-V285 HydrophobicContact CG2-CG1 4.1Å; V251-V285 HydrophobicContact CG2-CG2 4.32Å; L254-V285 HydrophobicContact CD2-CG2 4.02Å; E282-V285 HydrophobicContact CB-CG1 4.37Å; E282-V285 HydrophobicContact CB-CG2 4.44Å; E282-V285 WeakPolarHBondContact O-CG1 3.35Å; E282-V285 WeakPolarHBondContact O-CG2 3.3Å; E282-V285 PolarHBondContact O-N 2.88Å; I283-V285 PolarHBondContact O-N 3.48Å |
| 286 | F | 89.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -89.5 | -1.2 | 177.7 | -58.1 | -74.6 | 0 | 0 | 0 | 113 | L254 L265 I268 L279 I283 K284 V288 K300 I303 M304 L307 | L254-F286 HydrophobicContact CD2-CD1 3.84Å; L254-F286 HydrophobicContact CD2-CE1 3.62Å; L254-F286 HydrophobicContact CD2-CZ 4.34Å; L265-F286 HydrophobicContact CD2-CD1 3.89Å; L265-F286 HydrophobicContact CD2-CE1 3.89Å; I268-F286 HydrophobicContact CG2-CE1 4.05Å; I268-F286 HydrophobicContact CG2-CZ 3.94Å; L279-F286 HydrophobicContact CB-CE2 4.49Å; L279-F286 HydrophobicContact CD1-CE2 4.43Å; L279-F286 HydrophobicContact CD1-CZ 3.93Å; I283-F286 PolarHBondContact O-N 2.82Å; I283-F286 VanDerWaalsContact O-N 3.08Å; K284-F286 PolarHBondContact O-N 2.82Å; F286-V288 PolarHBondContact O-N 2.79Å; F286-K300 WeakPolarHBondContact O-CB 3.47Å; F286-K300 WeakPolarHBondContact O-CD 3.29Å; F286-I303 HydrophobicContact CD1-CB 4.27Å; F286-I303 HydrophobicContact CD1-CD1 4.33Å; F286-I303 HydrophobicContact CD1-CG2 3.84Å; F286-I303 HydrophobicContact CD2-CG2 4.21Å; F286-I303 HydrophobicContact CE1-CB 4.45Å; F286-I303 HydrophobicContact CE1-CD1 4.08Å; F286-I303 HydrophobicContact CE1-CG2 3.74Å; F286-I303 HydrophobicContact CE2-CG2 4.11Å; F286-I303 HydrophobicContact CG-CG2 4.08Å; F286-I303 HydrophobicContact CZ-CG2 3.88Å; F286-M304 HydrophobicContact CB-CG 3.64Å; F286-M304 HydrophobicContact CB-SD 4.38Å; F286-L307 HydrophobicContact CD2-CD1 3.85Å; F286-L307 HydrophobicContact CE2-CD1 3.57Å; F286-L307 HydrophobicContact CZ-CD1 4.38Å |
| 287 | F | 90.4 | Very high | 85.9 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 17% | 0.167 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -62.9 | 135.8 | 173.3 | -65.7 | -8.5 | 0 | 0 | 0 | 109.9 | I283 K284 K300 M304 E319 | I283-F287 HydrophobicContact CG1-CE1 4.41Å; K284-F287 HydrophobicContact CB-CD2 4.41Å; K284-F287 HydrophobicContact CB-CE2 4.31Å; K284-F287 HydrophobicContact CG-CE2 4.02Å; K284-F287 HydrophobicContact CG-CZ 4.28Å; K284-F287 WeakPolarHBondContact O-CB 3.29Å; K284-F287 PolarHBondContact O-N 2.72Å; F287-K300 PolarHBondContact O-NZ 3.39Å; F287-M304 HydrophobicContact CD1-CE 3.71Å; F287-M304 HydrophobicContact CD1-SD 4.07Å; F287-M304 HydrophobicContact CE1-CE 3.89Å; F287-E319 HydrophobicContact CD1-CG 4.31Å; F287-E319 HydrophobicContact CD2-CG 4.22Å; F287-E319 HydrophobicContact CE1-CG 4.16Å; F287-E319 HydrophobicContact CE2-CG 4.05Å; F287-E319 HydrophobicContact CG-CG 4.35Å; F287-E319 HydrophobicContact CZ-CG 4.02Å |
| 288 | V | 89.3 | Confident | 86.3 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 131 | -173.7 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | F286 K297 K300 Y323 F331 | F286-V288 PolarHBondContact O-N 2.79Å; V288-K297 HydrophobicContact CG1-CB 3.9Å; V288-K297 HydrophobicContact CG1-CD 3.59Å; V288-K297 HydrophobicContact CG1-CG 3.49Å; V288-K297 VanDerWaalsContact CG1-CG 3.49Å; V288-K297 HydrophobicContact CG2-CB 4.37Å; V288-K300 HydrophobicContact CG2-CB 4.11Å; V288-K300 HydrophobicContact CG2-CD 4.39Å; V288-Y323 HydrophobicContact CB-CE1 4.07Å; V288-Y323 HydrophobicContact CB-CE2 4.08Å; V288-Y323 HydrophobicContact CG2-CE2 3.92Å; V288-Y323 PolarHBondContact N-OH 2.72Å; V288-F331 HydrophobicContact CB-CZ 4.46Å; V288-F331 HydrophobicContact CG1-CZ 4.15Å; V288-F331 HydrophobicContact CG2-CZ 4.17Å |
| 289 | K | 86.7 | Confident | 86.7 | Confident | 128 Ų | 128 | 66 Ų | 66 | 56% | 0.557 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -98.5 | 152.7 | 173.5 | -56.5 | 175.5 | -177.2 | 171.7 | 0 | 109.6 | N291 D292 | K289-N291 WeakPolarHBondContact CB-OD1 3.45Å; K289-N291 PolarHBondContact O-N 3.34Å; K289-D292 PolarHBondContact N-OD2 3.39Å; K289-D292 WeakPolarHBondContact O-CB 3.44Å; K289-D292 PolarHBondContact O-N 3.15Å |
| 290 | Y | 83.5 | Confident | 87.2 | Confident | 212 Ų | 212 | 66.3 Ų | 66.3 | 83% | 0.831 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -32.5 | 178.2 | 179.5 | -95 | 0 | 0 | 0 | 113.3 | D292 | Y290-D292 VanDerWaalsContact C-N 3.33Š|
| 291 | N | 85.8 | Confident | 87.8 | Confident | 128 Ų | 128 | 60.5 Ų | 60.5 | 68% | 0.684 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2.4 | 179.8 | 67.5 | -43.2 | 0 | 0 | 0 | 114.1 | K289 | K289-N291 WeakPolarHBondContact CB-OD1 3.45Å; K289-N291 PolarHBondContact O-N 3.34Å |
| 292 | D | 89.1 | Confident | 88.2 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -75 | 136.7 | 178.5 | -66.7 | -19 | 0 | 0 | 0 | 110 | K289 Y290 V296 K297 K300 | K289-D292 PolarHBondContact N-OD2 3.39Å; K289-D292 WeakPolarHBondContact O-CB 3.44Å; K289-D292 PolarHBondContact O-N 3.15Å; Y290-D292 VanDerWaalsContact C-N 3.33Å; D292-V296 HydrophobicContact CB-CG1 4.15Å; D292-K297 HydrophobicContact CB-CG 4.03Å; D292-K297 WeakPolarHBondContact O-CE 3.45Å; D292-K300 IonicContact OD1-NZ 2.86Å; D292-K300 IonicContact OD2-NZ 3.13Å; D292-K300 PolarHBondContact OD2-NZ 2.67Å |
| 293 | P | 90.5 | Very high | 88.5 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | trans | -69.8 | 152 | 175.7 | 29.9 | -34.7 | 0 | 0 | 0 | 111.2 | P258 Y295 V296 K297 | P258-P293 HydrophobicContact CB-CG 4.14Å; P293-Y295 VanDerWaalsContact C-N 3.29Å; P293-Y295 HydrophobicContact CB-CD1 4.05Å; P293-Y295 HydrophobicContact CB-CE1 3.5Å; P293-Y295 HydrophobicContact CB-CE2 4.17Å; P293-Y295 HydrophobicContact CG-CD2 4.28Å; P293-Y295 HydrophobicContact CG-CE1 3.9Å; P293-Y295 HydrophobicContact CG-CE2 3.62Å; P293-Y295 WeakPolarHBondContact CG-OH 3.21Å; P293-Y295 PolarHBondContact O-N 2.9Å; P293-Y295 VanDerWaalsContact O-N 3.13Å; P293-V296 HydrophobicContact CG-CB 3.93Å; P293-V296 HydrophobicContact CG-CG2 3.74Å; P293-V296 WeakPolarHBondContact O-CA 3.35Å; P293-V296 WeakPolarHBondContact O-CB 3.48Å; P293-V296 PolarHBondContact O-N 3.18Å; P293-K297 WeakPolarHBondContact O-CG 3.19Å; P293-K297 PolarHBondContact O-N 3.28Å | ||
| 294 | I | 89.9 | Confident | 88.7 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -50.8 | -43.3 | -173.3 | -176.9 | 58.6 | 0 | 0 | 0 | 113.8 | V296 K297 L298 F331 | I294-V296 VanDerWaalsContact C-N 3.3Å; I294-V296 PolarHBondContact O-N 2.9Å; I294-K297 WeakPolarHBondContact O-CB 3.46Å; I294-K297 PolarHBondContact O-N 3.44Å; I294-K297 VanDerWaalsContact O-N 3.12Å; I294-L298 HydrophobicContact CD1-CD1 4.47Å; I294-L298 HydrophobicContact CD1-CG 4.2Å; I294-L298 HydrophobicContact CG1-CD1 4.23Å; I294-L298 HydrophobicContact CG1-CG 4.41Å; I294-L298 WeakPolarHBondContact O-CG 3.21Å; I294-L298 PolarHBondContact O-N 3.03Å; I294-F331 HydrophobicContact CD1-CB 3.7Å; I294-F331 HydrophobicContact CD1-CD2 4.08Å; I294-F331 HydrophobicContact CD1-CG 4.16Å |
| 295 | Y | 89.4 | Confident | 88.8 | Confident | 104 Ų | 104 | 45 Ų | 45 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.4 | -31.1 | 179.7 | 54.7 | -98.2 | 0 | 0 | 0 | 113 | Y262 P293 E299 | Y262-Y295 AromaticContact CD2-CD2 3.61Å; Y262-Y295 HydrophobicContact CD2-CD2 3.61Å; Y262-Y295 HydrophobicContact CD2-CE2 4.41Å; Y262-Y295 HydrophobicContact CD2-CG 4.48Å; Y262-Y295 HydrophobicContact CE2-CD2 4.19Å; Y262-Y295 AromaticContact CG-CD2 3.95Å; Y262-Y295 HydrophobicContact CG-CD2 3.95Å; Y262-Y295 HydrophobicContact CG-CE2 4.34Å; P293-Y295 VanDerWaalsContact C-N 3.29Å; P293-Y295 HydrophobicContact CB-CD1 4.05Å; P293-Y295 HydrophobicContact CB-CE1 3.5Å; P293-Y295 HydrophobicContact CB-CE2 4.17Å; P293-Y295 HydrophobicContact CG-CD2 4.28Å; P293-Y295 HydrophobicContact CG-CE1 3.9Å; P293-Y295 HydrophobicContact CG-CE2 3.62Å; P293-Y295 WeakPolarHBondContact CG-OH 3.21Å; P293-Y295 PolarHBondContact O-N 2.9Å; P293-Y295 VanDerWaalsContact O-N 3.13Å; Y295-E299 WeakPolarHBondContact O-CG 3.35Å; Y295-E299 PolarHBondContact O-N 2.87Å |
| 296 | V | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.4 | -41.2 | 171.8 | 165.5 | 0 | 0 | 0 | 0 | 110.3 | L265 D292 P293 I294 L298 E299 K300 | L265-V296 HydrophobicContact CD1-CB 4.37Å; L265-V296 HydrophobicContact CD1-CG1 3.74Å; L265-V296 HydrophobicContact CD1-CG2 4.41Å; D292-V296 HydrophobicContact CB-CG1 4.15Å; P293-V296 HydrophobicContact CG-CB 3.93Å; P293-V296 HydrophobicContact CG-CG2 3.74Å; P293-V296 WeakPolarHBondContact O-CA 3.35Å; P293-V296 WeakPolarHBondContact O-CB 3.48Å; P293-V296 PolarHBondContact O-N 3.18Å; I294-V296 VanDerWaalsContact C-N 3.3Å; I294-V296 PolarHBondContact O-N 2.9Å; V296-L298 VanDerWaalsContact C-N 3.32Å; V296-L298 PolarHBondContact O-N 3.45Å; V296-E299 PolarHBondContact O-N 3.17Å; V296-K300 HydrophobicContact CG1-CD 4.09Å; V296-K300 HydrophobicContact CG1-CG 4.41Å; V296-K300 WeakPolarHBondContact O-CB 3.39Å; V296-K300 WeakPolarHBondContact O-CG 3.5Å; V296-K300 PolarHBondContact O-N 3Å |
| 297 | K | 90.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 46 Ų | 46 | 9% | 0.087 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 177.4 | -57 | -166.7 | 165.8 | -172.5 | 0 | 111.5 | V288 D292 P293 I294 K300 L301 E326 F331 | V288-K297 HydrophobicContact CG1-CB 3.9Å; V288-K297 HydrophobicContact CG1-CD 3.59Å; V288-K297 HydrophobicContact CG1-CG 3.49Å; V288-K297 VanDerWaalsContact CG1-CG 3.49Å; V288-K297 HydrophobicContact CG2-CB 4.37Å; D292-K297 HydrophobicContact CB-CG 4.03Å; D292-K297 WeakPolarHBondContact O-CE 3.45Å; P293-K297 WeakPolarHBondContact O-CG 3.19Å; P293-K297 PolarHBondContact O-N 3.28Å; I294-K297 WeakPolarHBondContact O-CB 3.46Å; I294-K297 PolarHBondContact O-N 3.44Å; I294-K297 VanDerWaalsContact O-N 3.12Å; K297-K300 PolarHBondContact O-N 3.33Å; K297-L301 WeakPolarHBondContact O-CB 3.36Å; K297-L301 PolarHBondContact O-N 3.13Å; K297-E326 IonicContact NZ-OE1 3.2Å; K297-E326 IonicContact NZ-OE2 2.69Å; K297-E326 PolarHBondContact NZ-OE2 3.21Å; K297-F331 HydrophobicContact CB-CD2 3.96Å; K297-F331 HydrophobicContact CB-CE2 3.57Å; K297-F331 HydrophobicContact CB-CZ 4.15Å; K297-F331 HydrophobicContact CD-CD1 4.47Å; K297-F331 HydrophobicContact CD-CD2 4.36Å; K297-F331 HydrophobicContact CD-CE1 4.31Å; K297-F331 HydrophobicContact CD-CE2 4.24Å; K297-F331 HydrophobicContact CD-CG 4.49Å; K297-F331 HydrophobicContact CD-CZ 4.22Å |
| 298 | L | 89 | Confident | 88.4 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 27% | 0.272 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -46.5 | -179.6 | -69.3 | 175 | 0 | 0 | 0 | 112.4 | I294 V296 K300 L301 D302 F331 K334 | I294-L298 HydrophobicContact CD1-CD1 4.47Å; I294-L298 HydrophobicContact CD1-CG 4.2Å; I294-L298 HydrophobicContact CG1-CD1 4.23Å; I294-L298 HydrophobicContact CG1-CG 4.41Å; I294-L298 WeakPolarHBondContact O-CG 3.21Å; I294-L298 PolarHBondContact O-N 3.03Å; V296-L298 VanDerWaalsContact C-N 3.32Å; V296-L298 PolarHBondContact O-N 3.45Å; L298-K300 PolarHBondContact O-N 3.03Å; L298-L301 WeakPolarHBondContact O-CB 3.28Å; L298-L301 PolarHBondContact O-N 2.87Å; L298-D302 PolarHBondContact O-N 3.4Å; L298-F331 HydrophobicContact CD2-CD2 4.22Å; L298-K334 HydrophobicContact CD2-CB 3.91Å; L298-K334 HydrophobicContact CD2-CG 3.75Å |
| 299 | E | 90 | Very high | 88.2 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 178.1 | -66.9 | -63.7 | 157.4 | 0 | 0 | 112.3 | Y262 L265 R266 Y295 V296 L301 D302 I303 | Y262-E299 HydrophobicContact CD2-CG 4.12Å; Y262-E299 HydrophobicContact CE2-CG 3.71Å; L265-E299 HydrophobicContact CB-CB 3.98Å; L265-E299 HydrophobicContact CD1-CB 4.3Å; R266-E299 WeakPolarHBondContact CD-OE1 3.39Å; R266-E299 WeakPolarHBondContact CD-OE2 3.48Å; R266-E299 IonicContact CZ-OE1 2.79Å; R266-E299 IonicContact NE-OE1 3.7Å; R266-E299 IonicContact NH1-OE1 3.56Å; R266-E299 PolarHBondContact NH1-OE1 2.99Å; R266-E299 IonicContact NH1-OE2 3.42Å; R266-E299 PolarHBondContact NH1-OE2 3.33Å; Y295-E299 WeakPolarHBondContact O-CG 3.35Å; Y295-E299 PolarHBondContact O-N 2.87Å; V296-E299 PolarHBondContact O-N 3.17Å; E299-L301 VanDerWaalsContact C-N 3.33Å; E299-L301 PolarHBondContact O-N 3.14Å; E299-D302 PolarHBondContact O-N 2.88Å; E299-I303 WeakPolarHBondContact O-CD1 3.37Å; E299-I303 VanDerWaalsContact O-CG1 3.31Å; E299-I303 WeakPolarHBondContact O-CG1 3.25Å; E299-I303 PolarHBondContact O-N 2.96Å |
| 300 | K | 91.1 | Very high | 88.1 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 173.4 | -83.4 | -177.5 | 173.3 | -172.1 | 0 | 111.4 | L265 F286 F287 V288 D292 V296 K297 L298 D302 I303 M304 | L265-K300 HydrophobicContact CD1-CG 3.98Å; L265-K300 HydrophobicContact CD2-CG 3.88Å; F286-K300 WeakPolarHBondContact O-CB 3.47Å; F286-K300 WeakPolarHBondContact O-CD 3.29Å; F287-K300 PolarHBondContact O-NZ 3.39Å; V288-K300 HydrophobicContact CG2-CB 4.11Å; V288-K300 HydrophobicContact CG2-CD 4.39Å; D292-K300 IonicContact OD1-NZ 2.86Å; D292-K300 IonicContact OD2-NZ 3.13Å; D292-K300 PolarHBondContact OD2-NZ 2.67Å; V296-K300 HydrophobicContact CG1-CD 4.09Å; V296-K300 HydrophobicContact CG1-CG 4.41Å; V296-K300 WeakPolarHBondContact O-CB 3.39Å; V296-K300 WeakPolarHBondContact O-CG 3.5Å; V296-K300 PolarHBondContact O-N 3Å; K297-K300 PolarHBondContact O-N 3.33Å; L298-K300 PolarHBondContact O-N 3.03Å; K300-D302 PolarHBondContact O-N 2.68Å; K300-I303 PolarHBondContact O-N 3.18Å; K300-M304 WeakPolarHBondContact O-CB 3.35Å; K300-M304 VanDerWaalsContact O-CG 3.25Å; K300-M304 WeakPolarHBondContact O-CG 3.45Å; K300-M304 PolarHBondContact O-N 3.38Å |
| 301 | L | 90.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 177.4 | -172.2 | 107.3 | 0 | 0 | 0 | 111.4 | K297 L298 E299 I303 M304 I305 L320 Y323 F331 K334 A335 A338 | K297-L301 WeakPolarHBondContact O-CB 3.36Å; K297-L301 PolarHBondContact O-N 3.13Å; L298-L301 WeakPolarHBondContact O-CB 3.28Å; L298-L301 PolarHBondContact O-N 2.87Å; E299-L301 VanDerWaalsContact C-N 3.33Å; E299-L301 PolarHBondContact O-N 3.14Å; L301-I303 PolarHBondContact O-N 3.27Å; L301-M304 WeakPolarHBondContact O-CB 3.49Å; L301-M304 PolarHBondContact O-N 3.06Å; L301-I305 HydrophobicContact CD2-CD1 4.45Å; L301-I305 VanDerWaalsContact O-CG1 3.32Å; L301-I305 WeakPolarHBondContact O-CG1 3.38Å; L301-I305 PolarHBondContact O-N 3.34Å; L301-I305 VanDerWaalsContact O-N 3.12Å; L301-L320 HydrophobicContact CD1-CD2 3.57Å; L301-L320 HydrophobicContact CG-CD2 4.42Å; L301-Y323 HydrophobicContact CD1-CD2 4.15Å; L301-F331 HydrophobicContact CD1-CE2 4.2Å; L301-F331 HydrophobicContact CD1-CZ 4.45Å; L301-K334 HydrophobicContact CD2-CB 3.98Å; L301-A335 HydrophobicContact CD1-CB 4.1Å; L301-A338 HydrophobicContact CD1-CB 4.39Å; L301-A338 HydrophobicContact CD2-CB 3.98Å; L301-A338 HydrophobicContact CG-CB 4.17Å |
| 302 | D | 86.9 | Confident | 88.3 | Confident | 47 Ų | 47 | 34.1 Ų | 34.1 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 178.6 | -79.2 | -24.4 | 0 | 0 | 0 | 112.3 | L298 E299 K300 I305 R306 R341 | L298-D302 PolarHBondContact O-N 3.4Å; E299-D302 PolarHBondContact O-N 2.88Å; K300-D302 PolarHBondContact O-N 2.68Å; D302-I305 PolarHBondContact O-N 3.15Å; D302-R306 WeakPolarHBondContact O-CG 3.24Å; D302-R306 PolarHBondContact O-N 3.23Å; D302-R306 VanDerWaalsContact O-N 3.15Å; D302-R341 IonicContact OD1-NH1 3.43Å; D302-R341 PolarHBondContact OD1-NH1 3.39Å |
| 303 | I | 89.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 176.4 | -65.4 | 162.9 | 0 | 0 | 0 | 111.2 | L265 I268 N269 V272 F286 E299 K300 L301 I305 R306 L307 | L265-I303 HydrophobicContact CB-CD1 4.22Å; L265-I303 HydrophobicContact CD2-CD1 3.65Å; I268-I303 HydrophobicContact CB-CD1 4.44Å; I268-I303 HydrophobicContact CG2-CD1 4.04Å; I268-I303 HydrophobicContact CG2-CG2 4.45Å; N269-I303 HydrophobicContact CB-CD1 4.33Å; N269-I303 HydrophobicContact CB-CG1 4.11Å; V272-I303 HydrophobicContact CG2-CG2 4.44Å; F286-I303 HydrophobicContact CD1-CB 4.27Å; F286-I303 HydrophobicContact CD1-CD1 4.33Å; F286-I303 HydrophobicContact CD1-CG2 3.84Å; F286-I303 HydrophobicContact CD2-CG2 4.21Å; F286-I303 HydrophobicContact CE1-CB 4.45Å; F286-I303 HydrophobicContact CE1-CD1 4.08Å; F286-I303 HydrophobicContact CE1-CG2 3.74Å; F286-I303 HydrophobicContact CE2-CG2 4.11Å; F286-I303 HydrophobicContact CG-CG2 4.08Å; F286-I303 HydrophobicContact CZ-CG2 3.88Å; E299-I303 WeakPolarHBondContact O-CD1 3.37Å; E299-I303 VanDerWaalsContact O-CG1 3.31Å; E299-I303 WeakPolarHBondContact O-CG1 3.25Å; E299-I303 PolarHBondContact O-N 2.96Å; K300-I303 PolarHBondContact O-N 3.18Å; L301-I303 PolarHBondContact O-N 3.27Å; I303-I305 VanDerWaalsContact C-N 3.32Å; I303-I305 PolarHBondContact O-N 3.27Å; I303-R306 PolarHBondContact O-N 3.22Å; I303-R306 VanDerWaalsContact O-N 3.14Å; I303-L307 HydrophobicContact CG2-CD1 3.73Å; I303-L307 HydrophobicContact CG2-CG 4.15Å; I303-L307 WeakPolarHBondContact O-CG 3.27Å; I303-L307 PolarHBondContact O-N 2.88Å |
| 304 | M | 88.3 | Confident | 88.2 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 176.6 | -76.7 | 172.5 | 62.3 | 0 | 0 | 111.8 | F286 F287 K300 L301 R306 L307 A308 V316 E319 Y323 | F286-M304 HydrophobicContact CB-CG 3.64Å; F286-M304 HydrophobicContact CB-SD 4.38Å; F287-M304 HydrophobicContact CD1-CE 3.71Å; F287-M304 HydrophobicContact CD1-SD 4.07Å; F287-M304 HydrophobicContact CE1-CE 3.89Å; K300-M304 WeakPolarHBondContact O-CB 3.35Å; K300-M304 VanDerWaalsContact O-CG 3.25Å; K300-M304 WeakPolarHBondContact O-CG 3.45Å; K300-M304 PolarHBondContact O-N 3.38Å; L301-M304 WeakPolarHBondContact O-CB 3.49Å; L301-M304 PolarHBondContact O-N 3.06Å; M304-R306 VanDerWaalsContact C-N 3.33Å; M304-R306 PolarHBondContact O-N 3.09Å; M304-L307 CarbonylContact O-C 3.51Å; M304-L307 PolarHBondContact O-N 3.39Å; M304-A308 PolarHBondContact O-N 3.18Å; M304-V316 HydrophobicContact CE-CG1 4.21Å; M304-E319 HydrophobicContact CE-CB 4.41Å; M304-Y323 HydrophobicContact CE-CE2 4.2Å; M304-Y323 HydrophobicContact SD-CE2 4.44Å |
| 305 | I | 87.4 | Confident | 88.2 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.4 | -58.6 | 159.9 | 0 | 0 | 0 | 110.1 | L301 D302 I303 L307 A308 A338 R341 K345 | L301-I305 HydrophobicContact CD2-CD1 4.45Å; L301-I305 VanDerWaalsContact O-CG1 3.32Å; L301-I305 WeakPolarHBondContact O-CG1 3.38Å; L301-I305 PolarHBondContact O-N 3.34Å; L301-I305 VanDerWaalsContact O-N 3.12Å; D302-I305 PolarHBondContact O-N 3.15Å; I303-I305 VanDerWaalsContact C-N 3.32Å; I303-I305 PolarHBondContact O-N 3.27Å; I305-L307 VanDerWaalsContact C-N 3.35Å; I305-L307 PolarHBondContact O-N 2.86Å; I305-A308 VanDerWaalsContact O-CB 3.22Å; I305-A308 WeakPolarHBondContact O-CB 3.4Å; I305-A308 PolarHBondContact O-N 3.03Å; I305-A338 HydrophobicContact CD1-CB 3.3Å; I305-A338 HydrophobicContact CG1-CB 3.71Å; I305-R341 HydrophobicContact CG2-CB 3.9Å; I305-K345 PolarHBondContact O-NZ 3.46Å |
| 306 | R | 85.3 | Confident | 88.3 | Confident | 59 Ų | 59 | 31.4 Ų | 31.4 | 22% | 0.223 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -36.6 | 178.6 | -69 | -177.2 | -166.4 | -86.2 | 1.6 | 112.6 | N269 V272 D302 I303 M304 A308 K345 D515 | N269-R306 WeakPolarHBondContact OD1-CD 3.43Å; N269-R306 PolarHBondContact OD1-NE 3.41Å; N269-R306 VanDerWaalsContact OD1-NE 3.17Å; V272-R306 HydrophobicContact CG1-CB 3.94Å; D302-R306 WeakPolarHBondContact O-CG 3.24Å; D302-R306 PolarHBondContact O-N 3.23Å; D302-R306 VanDerWaalsContact O-N 3.15Å; I303-R306 PolarHBondContact O-N 3.22Å; I303-R306 VanDerWaalsContact O-N 3.14Å; M304-R306 VanDerWaalsContact C-N 3.33Å; M304-R306 PolarHBondContact O-N 3.09Å; R306-A308 VanDerWaalsContact C-N 3.33Å; R306-K345 VanDerWaalsContact C-NZ 3.3Å; R306-K345 PolarHBondContact O-NZ 3.27Å; R306-D515 PolarHBondContact NH1-O 2.9Å; R306-D515 PolarHBondContact NH2-O 3Å |
| 307 | L | 86.1 | Confident | 88.3 | Confident | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -84.4 | -4.4 | 176.2 | -63.7 | 177.5 | 0 | 0 | 0 | 114 | V272 L279 I283 F286 I303 M304 I305 S309 N312 | V272-L307 HydrophobicContact CG1-CD2 3.64Å; V272-L307 HydrophobicContact CG1-CG 4.12Å; V272-L307 HydrophobicContact CG2-CD2 4.09Å; L279-L307 HydrophobicContact CB-CD1 4.16Å; L279-L307 HydrophobicContact CB-CD2 4.44Å; I283-L307 HydrophobicContact CD1-CB 4.35Å; F286-L307 HydrophobicContact CD2-CD1 3.85Å; F286-L307 HydrophobicContact CE2-CD1 3.57Å; F286-L307 HydrophobicContact CZ-CD1 4.38Å; I303-L307 HydrophobicContact CG2-CD1 3.73Å; I303-L307 HydrophobicContact CG2-CG 4.15Å; I303-L307 WeakPolarHBondContact O-CG 3.27Å; I303-L307 PolarHBondContact O-N 2.88Å; M304-L307 CarbonylContact O-C 3.51Å; M304-L307 PolarHBondContact O-N 3.39Å; I305-L307 VanDerWaalsContact C-N 3.35Å; I305-L307 PolarHBondContact O-N 2.86Å; L307-S309 PolarHBondContact O-N 3.15Å; L307-N312 PolarHBondContact O-ND2 3.28Å |
| 308 | A | 87 | Confident | 88.4 | Confident | 7 Ų | 7 | 34 Ų | 34 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | trans | -62.8 | 130.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M304 I305 R306 N312 I313 K345 | M304-A308 PolarHBondContact O-N 3.18Å; I305-A308 VanDerWaalsContact O-CB 3.22Å; I305-A308 WeakPolarHBondContact O-CB 3.4Å; I305-A308 PolarHBondContact O-N 3.03Å; R306-A308 VanDerWaalsContact C-N 3.33Å; A308-N312 WeakPolarHBondContact CA-OD1 3.36Å; A308-I313 HydrophobicContact CB-CD1 4.22Å; A308-K345 WeakPolarHBondContact O-CE 3.33Å | ||
| 309 | S | 85.4 | Confident | 88.5 | Confident | 26 Ų | 26 | 33.9 Ų | 33.9 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | trans | -143.2 | 167 | -179.7 | 69.9 | 0 | 0 | 0 | 0 | 109.9 | L307 A311 N312 I313 | L307-S309 PolarHBondContact O-N 3.15Å; S309-A311 PolarHBondContact O-N 3.41Å; S309-N312 PolarHBondContact N-OD1 3.42Å; S309-N312 PolarHBondContact O-N 2.89Å; S309-N312 VanDerWaalsContact O-N 3.14Å; S309-N312 PolarHBondContact O-OD1 3.14Å; S309-N312 PolarHBondContact OG-ND2 2.89Å; S309-N312 PolarHBondContact OG-OD1 2.87Å; S309-I313 WeakPolarHBondContact O-CB 3.2Å; S309-I313 PolarHBondContact O-N 3.36Å | ||
| 310 | Q | 83.9 | Confident | 88.7 | Confident | 130 Ų | 130 | 33.1 Ų | 33.1 | 61% | 0.607 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.6 | -179.6 | -69.4 | 179 | -1.2 | 0 | 0 | 113.7 | V346 | Q310-V346 HydrophobicContact CG-CG1 3.69Š|
| 311 | A | 85.4 | Confident | 88.7 | Confident | 97 Ų | 97 | 36.5 Ų | 36.5 | 80% | 0.802 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -33.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S309 | S309-A311 PolarHBondContact O-N 3.41Š|
| 312 | N | 88.8 | Confident | 88.7 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -9.6 | -171.4 | 62.9 | 19 | 0 | 0 | 0 | 113.5 | I283 L307 A308 S309 A314 Q315 V316 | I283-N312 HydrophobicContact CD1-CB 4.28Å; I283-N312 WeakPolarHBondContact CD1-ND2 3.31Å; I283-N312 HydrophobicContact CG2-CB 4.47Å; L307-N312 PolarHBondContact O-ND2 3.28Å; A308-N312 WeakPolarHBondContact CA-OD1 3.36Å; S309-N312 PolarHBondContact N-OD1 3.42Å; S309-N312 PolarHBondContact O-N 2.89Å; S309-N312 VanDerWaalsContact O-N 3.14Å; S309-N312 PolarHBondContact O-OD1 3.14Å; S309-N312 PolarHBondContact OG-ND2 2.89Å; S309-N312 PolarHBondContact OG-OD1 2.87Å; N312-A314 PolarHBondContact O-N 3.49Å; N312-A314 VanDerWaalsContact O-N 3.11Å; N312-Q315 PolarHBondContact O-N 3.46Å; N312-V316 PolarHBondContact O-N 2.85Å; N312-V316 VanDerWaalsContact O-N 3.1Å |
| 313 | I | 87.5 | Confident | 88.9 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.7 | -32.7 | -172.5 | -167.6 | 59.4 | 0 | 0 | 0 | 114.1 | A308 S309 Q315 V316 L317 C342 | A308-I313 HydrophobicContact CB-CD1 4.22Å; S309-I313 WeakPolarHBondContact O-CB 3.2Å; S309-I313 PolarHBondContact O-N 3.36Å; I313-Q315 VanDerWaalsContact C-N 3.34Å; I313-Q315 PolarHBondContact O-N 3.19Å; I313-V316 PolarHBondContact O-N 3.22Å; I313-L317 WeakPolarHBondContact O-CB 3.4Å; I313-L317 PolarHBondContact O-N 3.33Å; I313-C342 HydrophobicContact CD1-CB 3.87Å |
| 314 | A | 89.7 | Confident | 88.9 | Confident | 55 Ų | 55 | 40.5 Ų | 40.5 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N312 A318 | N312-A314 PolarHBondContact O-N 3.49Å; N312-A314 VanDerWaalsContact O-N 3.11Å; A314-A318 PolarHBondContact O-N 3.25Å |
| 315 | Q | 90.1 | Very high | 88.9 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.8 | -44.6 | 176.6 | -66.5 | 175.8 | -5.7 | 0 | 0 | 110.4 | N312 I313 L317 A318 E319 | N312-Q315 PolarHBondContact O-N 3.46Å; I313-Q315 VanDerWaalsContact C-N 3.34Å; I313-Q315 PolarHBondContact O-N 3.19Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-L317 PolarHBondContact O-N 3.42Å; Q315-A318 PolarHBondContact O-N 2.7Å; Q315-E319 WeakPolarHBondContact O-CG 3.45Å; Q315-E319 PolarHBondContact O-N 3.38Å; Q315-E319 VanDerWaalsContact O-N 3.13Å |
| 316 | V | 91.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 177.1 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | I283 M304 N312 I313 A318 E319 L320 | I283-V316 HydrophobicContact CD1-CG2 3.39Å; I283-V316 HydrophobicContact CG1-CG2 4.42Å; M304-V316 HydrophobicContact CE-CG1 4.21Å; N312-V316 PolarHBondContact O-N 2.85Å; N312-V316 VanDerWaalsContact O-N 3.1Å; I313-V316 PolarHBondContact O-N 3.22Å; V316-A318 VanDerWaalsContact C-N 3.34Å; V316-A318 PolarHBondContact O-N 2.95Å; V316-E319 PolarHBondContact O-N 2.97Å; V316-L320 HydrophobicContact CG1-CD1 3.88Å; V316-L320 HydrophobicContact CG1-CG 4.17Å; V316-L320 WeakPolarHBondContact O-CB 3.43Å; V316-L320 VanDerWaalsContact O-CG 3.28Å; V316-L320 WeakPolarHBondContact O-CG 3.41Å; V316-L320 PolarHBondContact O-N 2.84Å |
| 317 | L | 91.7 | Very high | 89 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.7 | -35.5 | -179.7 | -173.4 | 61.5 | 0 | 0 | 0 | 112.5 | I313 Q315 K321 I339 R352 T356 | I313-L317 WeakPolarHBondContact O-CB 3.4Å; I313-L317 PolarHBondContact O-N 3.33Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-L317 PolarHBondContact O-N 3.42Å; L317-K321 WeakPolarHBondContact O-CB 3.31Å; L317-K321 PolarHBondContact O-N 3.44Å; L317-I339 HydrophobicContact CD1-CB 4.4Å; L317-I339 HydrophobicContact CD1-CD1 4.44Å; L317-I339 HydrophobicContact CD1-CG1 3.98Å; L317-I339 HydrophobicContact CD1-CG2 3.77Å; L317-R352 HydrophobicContact CD2-CB 3.85Å; L317-T356 HydrophobicContact CD1-CG2 4.3Å; L317-T356 HydrophobicContact CD2-CG2 3.89Å; L317-T356 HydrophobicContact CG-CG2 4.04Å |
| 318 | A | 91.7 | Very high | 89.2 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 50% | 0.504 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A314 Q315 V316 K321 E322 | A314-A318 PolarHBondContact O-N 3.25Å; Q315-A318 PolarHBondContact O-N 2.7Å; V316-A318 VanDerWaalsContact C-N 3.34Å; V316-A318 PolarHBondContact O-N 2.95Å; A318-K321 PolarHBondContact O-N 3.4Å; A318-E322 PolarHBondContact O-N 2.94Å |
| 319 | E | 92.1 | Very high | 89.3 | Confident | 51 Ų | 51 | 56 Ų | 56 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 175.6 | -66.4 | -73 | 154 | 0 | 0 | 111.8 | F287 M304 Q315 V316 K321 E322 Y323 | F287-E319 HydrophobicContact CD1-CG 4.31Å; F287-E319 HydrophobicContact CD2-CG 4.22Å; F287-E319 HydrophobicContact CE1-CG 4.16Å; F287-E319 HydrophobicContact CE2-CG 4.05Å; F287-E319 HydrophobicContact CG-CG 4.35Å; F287-E319 HydrophobicContact CZ-CG 4.02Å; M304-E319 HydrophobicContact CE-CB 4.41Å; Q315-E319 WeakPolarHBondContact O-CG 3.45Å; Q315-E319 PolarHBondContact O-N 3.38Å; Q315-E319 VanDerWaalsContact O-N 3.13Å; V316-E319 PolarHBondContact O-N 2.97Å; E319-K321 VanDerWaalsContact C-N 3.25Å; E319-K321 PolarHBondContact O-N 3.01Å; E319-E322 WeakPolarHBondContact O-CB 3.45Å; E319-E322 PolarHBondContact O-N 3.44Å; E319-Y323 HydrophobicContact CB-CE1 4.45Å; E319-Y323 HydrophobicContact CB-CE2 4.17Å; E319-Y323 VanDerWaalsContact O-CD1 3.31Å; E319-Y323 WeakPolarHBondContact O-CD1 3.39Å; E319-Y323 VanDerWaalsContact O-CG 3.23Å; E319-Y323 PolarHBondContact O-N 3.43Å; E319-Y323 PolarHBondContact OE2-OH 3.01Å |
| 320 | L | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -34.9 | 177.2 | -71.4 | 177.2 | 0 | 0 | 0 | 112.4 | L301 V316 E322 Y323 A324 A338 I339 | L301-L320 HydrophobicContact CD1-CD2 3.57Å; L301-L320 HydrophobicContact CG-CD2 4.42Å; V316-L320 HydrophobicContact CG1-CD1 3.88Å; V316-L320 HydrophobicContact CG1-CG 4.17Å; V316-L320 WeakPolarHBondContact O-CB 3.43Å; V316-L320 VanDerWaalsContact O-CG 3.28Å; V316-L320 WeakPolarHBondContact O-CG 3.41Å; V316-L320 PolarHBondContact O-N 2.84Å; L320-E322 VanDerWaalsContact C-N 3.35Å; L320-Y323 HydrophobicContact CD2-CD2 4.12Å; L320-Y323 PolarHBondContact O-N 3.45Å; L320-A324 WeakPolarHBondContact O-CB 3.45Å; L320-A324 PolarHBondContact O-N 2.82Å; L320-A338 HydrophobicContact CD1-CB 4.09Å; L320-A338 HydrophobicContact CD2-CB 3.89Å; L320-I339 HydrophobicContact CB-CD1 4.12Å; L320-I339 HydrophobicContact CB-CG1 3.7Å; L320-I339 HydrophobicContact CD1-CG1 3.88Å; L320-I339 HydrophobicContact CG-CG1 4.4Å |
| 321 | K | 91.3 | Very high | 89.8 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 34% | 0.339 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 174.9 | -174.3 | 172.6 | -179.7 | 173.2 | 0 | 111.5 | L317 A318 E319 T356 D359 | L317-K321 WeakPolarHBondContact O-CB 3.31Å; L317-K321 PolarHBondContact O-N 3.44Å; A318-K321 PolarHBondContact O-N 3.4Å; E319-K321 VanDerWaalsContact C-N 3.25Å; E319-K321 PolarHBondContact O-N 3.01Å; K321-T356 HydrophobicContact CD-CG2 4.25Å; K321-D359 IonicContact NZ-OD2 3.54Å; K321-D359 PolarHBondContact NZ-OD2 3.06Å |
| 322 | E | 91.1 | Very high | 90.1 | Very high | 124 Ų | 124 | 49.2 Ų | 49.2 | 58% | 0.579 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.6 | -43.8 | 173.1 | -172.6 | 171.6 | 173.2 | 0 | 0 | 111.1 | A318 E319 L320 A324 T325 | A318-E322 PolarHBondContact O-N 2.94Å; E319-E322 WeakPolarHBondContact O-CB 3.45Å; E319-E322 PolarHBondContact O-N 3.44Å; L320-E322 VanDerWaalsContact C-N 3.35Å; E322-A324 VanDerWaalsContact C-N 3.25Å; E322-A324 PolarHBondContact O-N 2.98Å; E322-T325 PolarHBondContact O-N 3.44Å; E322-T325 PolarHBondContact O-OG1 3.4Å |
| 323 | Y | 92 | Very high | 90.2 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -33 | 177.5 | -58.2 | -14.2 | 0 | 0 | 0 | 112.6 | V288 L301 M304 E319 L320 T325 E326 F331 V332 | V288-Y323 HydrophobicContact CB-CE1 4.07Å; V288-Y323 HydrophobicContact CB-CE2 4.08Å; V288-Y323 HydrophobicContact CG2-CE2 3.92Å; V288-Y323 PolarHBondContact N-OH 2.72Å; L301-Y323 HydrophobicContact CD1-CD2 4.15Å; M304-Y323 HydrophobicContact CE-CE2 4.2Å; M304-Y323 HydrophobicContact SD-CE2 4.44Å; E319-Y323 HydrophobicContact CB-CE1 4.45Å; E319-Y323 HydrophobicContact CB-CE2 4.17Å; E319-Y323 VanDerWaalsContact O-CD1 3.31Å; E319-Y323 WeakPolarHBondContact O-CD1 3.39Å; E319-Y323 VanDerWaalsContact O-CG 3.23Å; E319-Y323 PolarHBondContact O-N 3.43Å; E319-Y323 PolarHBondContact OE2-OH 3.01Å; L320-Y323 HydrophobicContact CD2-CD2 4.12Å; L320-Y323 PolarHBondContact O-N 3.45Å; Y323-T325 PolarHBondContact O-N 3.42Å; Y323-E326 WeakPolarHBondContact O-CB 3.38Å; Y323-E326 PolarHBondContact O-N 3.21Å; Y323-F331 HydrophobicContact CD1-CE1 4.37Å; Y323-F331 HydrophobicContact CD2-CE1 4.43Å; Y323-F331 AromaticContact CD2-CZ 3.97Å; Y323-F331 HydrophobicContact CD2-CZ 3.97Å; Y323-F331 AromaticContact CG-CE1 3.91Å; Y323-F331 HydrophobicContact CG-CE1 3.91Å; Y323-F331 AromaticContact CG-CZ 3.92Å; Y323-F331 HydrophobicContact CG-CZ 3.92Å; Y323-V332 WeakPolarHBondContact O-CG2 3.47Å |
| 324 | A | 89.2 | Confident | 90.4 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -9.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | L320 E322 V332 V336 L360 | L320-A324 WeakPolarHBondContact O-CB 3.45Å; L320-A324 PolarHBondContact O-N 2.82Å; E322-A324 VanDerWaalsContact C-N 3.25Å; E322-A324 PolarHBondContact O-N 2.98Å; A324-V332 WeakPolarHBondContact O-CG1 3.26Å; A324-V336 HydrophobicContact CB-CG2 4.14Å; A324-L360 HydrophobicContact CB-CD1 3.78Å; A324-L360 HydrophobicContact CB-CD2 3.75Å; A324-L360 HydrophobicContact CB-CG 4.45Å |
| 325 | T | 87.8 | Confident | 90.6 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 6.6 | 175.4 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | E322 Y323 | E322-T325 PolarHBondContact O-N 3.44Å; E322-T325 PolarHBondContact O-OG1 3.4Å; Y323-T325 PolarHBondContact O-N 3.42Å |
| 326 | E | 87.8 | Confident | 90.8 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -69.4 | 170 | 172.9 | -73.3 | -160.4 | 178.3 | 0 | 0 | 112.5 | K297 Y323 F331 V332 | K297-E326 IonicContact NZ-OE1 3.2Å; K297-E326 IonicContact NZ-OE2 2.69Å; K297-E326 PolarHBondContact NZ-OE2 3.21Å; Y323-E326 WeakPolarHBondContact O-CB 3.38Å; Y323-E326 PolarHBondContact O-N 3.21Å; E326-F331 HydrophobicContact CB-CD1 4.41Å; E326-F331 HydrophobicContact CG-CE1 4.49Å; E326-F331 WeakPolarHBondContact OE2-CD1 3.3Å; E326-F331 WeakPolarHBondContact OE2-CE1 3.44Å; E326-V332 HydrophobicContact CB-CG2 4.26Å; E326-V332 WeakPolarHBondContact O-CG2 3.41Å |
| 327 | V | 87.3 | Confident | 90.8 | Very high | 139 Ų | 139 | 52 Ų | 52 | 84% | 0.842 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -82.3 | -25.6 | -176 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | V329 | V327-V329 PolarHBondContact O-N 2.94Š|
| 328 | D | 88.8 | Confident | 90.7 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | trans | -80.4 | 114.1 | -175 | -172.9 | -87.9 | 0 | 0 | 0 | 111.4 | D330 F331 V332 | D328-D330 PolarHBondContact O-N 3.27Å; D328-D330 PolarHBondContact OD1-N 3.16Å; D328-F331 HydrophobicContact CB-CB 3.99Å; D328-F331 PolarHBondContact O-N 3.41Å; D328-F331 VanDerWaalsContact OD1-CB 3.26Å; D328-F331 WeakPolarHBondContact OD1-CB 3.46Å; D328-F331 PolarHBondContact OD1-N 3.15Å; D328-V332 WeakPolarHBondContact O-CB 3.28Å; D328-V332 WeakPolarHBondContact O-CG2 3.25Å; D328-V332 PolarHBondContact O-N 2.87Å | ||
| 329 | V | 89.6 | Confident | 90.8 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 34% | 0.339 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -44.3 | -173.1 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | V327 V332 R333 Y367 | V327-V329 PolarHBondContact O-N 2.94Å; V329-V332 PolarHBondContact O-N 3.25Å; V329-R333 WeakPolarHBondContact O-CG 3.4Å; V329-R333 PolarHBondContact O-N 2.87Å; V329-Y367 HydrophobicContact CG1-CD2 3.95Å; V329-Y367 HydrophobicContact CG1-CE2 4.5Å; V329-Y367 HydrophobicContact CG1-CG 3.97Å; V329-Y367 HydrophobicContact CG2-CD1 4.45Å; V329-Y367 HydrophobicContact CG2-CE1 4.29Å; V329-Y367 HydrophobicContact CG2-CE2 4.43Å |
| 330 | D | 89.4 | Confident | 90.7 | Very high | 111 Ų | 111 | 46.2 Ų | 46.2 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.1 | -44.1 | -177.6 | -69.8 | -36.3 | 0 | 0 | 0 | 111 | D328 R333 K334 | D328-D330 PolarHBondContact O-N 3.27Å; D328-D330 PolarHBondContact OD1-N 3.16Å; D330-R333 PolarHBondContact O-N 3.4Å; D330-K334 VanDerWaalsContact O-CG 3.26Å; D330-K334 WeakPolarHBondContact O-CG 3.27Å; D330-K334 PolarHBondContact O-N 3.5Å; D330-K334 VanDerWaalsContact O-N 3.09Å |
| 331 | F | 91 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.8 | -174.6 | -119.8 | 0 | 0 | 0 | 112.2 | V288 I294 K297 L298 L301 Y323 E326 D328 R333 K334 A335 | V288-F331 HydrophobicContact CB-CZ 4.46Å; V288-F331 HydrophobicContact CG1-CZ 4.15Å; V288-F331 HydrophobicContact CG2-CZ 4.17Å; I294-F331 HydrophobicContact CD1-CB 3.7Å; I294-F331 HydrophobicContact CD1-CD2 4.08Å; I294-F331 HydrophobicContact CD1-CG 4.16Å; K297-F331 HydrophobicContact CB-CD2 3.96Å; K297-F331 HydrophobicContact CB-CE2 3.57Å; K297-F331 HydrophobicContact CB-CZ 4.15Å; K297-F331 HydrophobicContact CD-CD1 4.47Å; K297-F331 HydrophobicContact CD-CD2 4.36Å; K297-F331 HydrophobicContact CD-CE1 4.31Å; K297-F331 HydrophobicContact CD-CE2 4.24Å; K297-F331 HydrophobicContact CD-CG 4.49Å; K297-F331 HydrophobicContact CD-CZ 4.22Å; L298-F331 HydrophobicContact CD2-CD2 4.22Å; L301-F331 HydrophobicContact CD1-CE2 4.2Å; L301-F331 HydrophobicContact CD1-CZ 4.45Å; Y323-F331 HydrophobicContact CD1-CE1 4.37Å; Y323-F331 HydrophobicContact CD2-CE1 4.43Å; Y323-F331 AromaticContact CD2-CZ 3.97Å; Y323-F331 HydrophobicContact CD2-CZ 3.97Å; Y323-F331 AromaticContact CG-CE1 3.91Å; Y323-F331 HydrophobicContact CG-CE1 3.91Å; Y323-F331 AromaticContact CG-CZ 3.92Å; Y323-F331 HydrophobicContact CG-CZ 3.92Å; E326-F331 HydrophobicContact CB-CD1 4.41Å; E326-F331 HydrophobicContact CG-CE1 4.49Å; E326-F331 WeakPolarHBondContact OE2-CD1 3.3Å; E326-F331 WeakPolarHBondContact OE2-CE1 3.44Å; D328-F331 HydrophobicContact CB-CB 3.99Å; D328-F331 PolarHBondContact O-N 3.41Å; D328-F331 VanDerWaalsContact OD1-CB 3.26Å; D328-F331 WeakPolarHBondContact OD1-CB 3.46Å; D328-F331 PolarHBondContact OD1-N 3.15Å; F331-R333 VanDerWaalsContact C-N 3.34Å; F331-R333 PolarHBondContact O-N 2.81Å; F331-K334 PolarHBondContact O-N 3.33Å; F331-A335 PolarHBondContact O-N 3.18Å |
| 332 | V | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 178.2 | 167 | 0 | 0 | 0 | 0 | 110.7 | Y323 A324 E326 D328 V329 K334 A335 V336 Y367 V368 | Y323-V332 WeakPolarHBondContact O-CG2 3.47Å; A324-V332 WeakPolarHBondContact O-CG1 3.26Å; E326-V332 HydrophobicContact CB-CG2 4.26Å; E326-V332 WeakPolarHBondContact O-CG2 3.41Å; D328-V332 WeakPolarHBondContact O-CB 3.28Å; D328-V332 WeakPolarHBondContact O-CG2 3.25Å; D328-V332 PolarHBondContact O-N 2.87Å; V329-V332 PolarHBondContact O-N 3.25Å; V332-K334 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 3Å; V332-A335 WeakPolarHBondContact O-CB 3.19Å; V332-A335 PolarHBondContact O-N 3.21Å; V332-A335 VanDerWaalsContact O-N 3.14Å; V332-V336 HydrophobicContact CG1-CG2 4.42Å; V332-V336 WeakPolarHBondContact O-CG2 3.34Å; V332-V336 PolarHBondContact O-N 3.35Å; V332-Y367 HydrophobicContact CB-CE2 4.4Å; V332-Y367 HydrophobicContact CG1-CD2 4.39Å; V332-Y367 HydrophobicContact CG1-CE2 3.98Å; V332-V368 HydrophobicContact CG1-CG2 3.63Å |
| 333 | R | 91.1 | Very high | 90.2 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 177.3 | -73.2 | -178.4 | 179.2 | -173.1 | -1 | 112.1 | V329 D330 F331 A335 V336 R337 E371 E403 | V329-R333 WeakPolarHBondContact O-CG 3.4Å; V329-R333 PolarHBondContact O-N 2.87Å; D330-R333 PolarHBondContact O-N 3.4Å; F331-R333 VanDerWaalsContact C-N 3.34Å; F331-R333 PolarHBondContact O-N 2.81Å; R333-A335 VanDerWaalsContact C-N 3.31Å; R333-A335 PolarHBondContact O-N 2.84Å; R333-V336 PolarHBondContact O-N 2.81Å; R333-R337 WeakPolarHBondContact O-CB 3.26Å; R333-R337 PolarHBondContact O-N 2.89Å; R333-E371 HydrophobicContact CB-CB 4.46Å; R333-E371 HydrophobicContact CB-CG 4.05Å; R333-E371 HydrophobicContact CG-CB 4.11Å; R333-E371 HydrophobicContact CG-CG 4.26Å; R333-E371 WeakPolarHBondContact O-CG 3.32Å; R333-E403 VanDerWaalsContact CZ-CD 3.48Å; R333-E403 IonicContact CZ-OE1 2.84Å; R333-E403 IonicContact CZ-OE2 3.15Å; R333-E403 VanDerWaalsContact NH1-CD 3.29Å; R333-E403 IonicContact NH1-OE1 2.7Å; R333-E403 PolarHBondContact NH1-OE1 3.19Å; R333-E403 IonicContact NH1-OE2 2.72Å; R333-E403 PolarHBondContact NH1-OE2 3.03Å; R333-E403 IonicContact NH2-OE1 3.39Å; R333-E403 PolarHBondContact NH2-OE1 3.16Å; R333-E403 IonicContact NH2-OE2 3.23Å; R333-E403 PolarHBondContact NH2-OE2 2.85Å |
| 334 | K | 91.2 | Very high | 90 | Very high | 120 Ų | 120 | 40.7 Ų | 40.7 | 52% | 0.522 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.3 | -37.6 | 176 | -65 | -69.9 | -178.7 | -173.7 | 0 | 111.8 | L298 L301 D330 F331 V332 R337 A338 | L298-K334 HydrophobicContact CD2-CB 3.91Å; L298-K334 HydrophobicContact CD2-CG 3.75Å; L301-K334 HydrophobicContact CD2-CB 3.98Å; D330-K334 VanDerWaalsContact O-CG 3.26Å; D330-K334 WeakPolarHBondContact O-CG 3.27Å; D330-K334 PolarHBondContact O-N 3.5Å; D330-K334 VanDerWaalsContact O-N 3.09Å; F331-K334 PolarHBondContact O-N 3.33Å; V332-K334 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 3Å; K334-R337 WeakPolarHBondContact O-CB 3.38Å; K334-R337 PolarHBondContact O-N 3.46Å; K334-A338 WeakPolarHBondContact O-CB 3.45Å; K334-A338 PolarHBondContact O-N 3.47Å |
| 335 | A | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L301 F331 V332 R333 A338 I339 | L301-A335 HydrophobicContact CD1-CB 4.1Å; F331-A335 PolarHBondContact O-N 3.18Å; V332-A335 WeakPolarHBondContact O-CB 3.19Å; V332-A335 PolarHBondContact O-N 3.21Å; V332-A335 VanDerWaalsContact O-N 3.14Å; R333-A335 VanDerWaalsContact C-N 3.31Å; R333-A335 PolarHBondContact O-N 2.84Å; A335-A338 VanDerWaalsContact O-CB 3.28Å; A335-A338 WeakPolarHBondContact O-CB 3.42Å; A335-A338 PolarHBondContact O-N 3.08Å; A335-A338 VanDerWaalsContact O-N 3.15Å; A335-I339 WeakPolarHBondContact O-CG1 3.43Å; A335-I339 PolarHBondContact O-N 3.25Å |
| 336 | V | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | 174.1 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | A324 V332 R333 A338 I339 G340 L357 L360 V368 E371 A372 V375 | A324-V336 HydrophobicContact CB-CG2 4.14Å; V332-V336 HydrophobicContact CG1-CG2 4.42Å; V332-V336 WeakPolarHBondContact O-CG2 3.34Å; V332-V336 PolarHBondContact O-N 3.35Å; R333-V336 PolarHBondContact O-N 2.81Å; V336-A338 VanDerWaalsContact C-N 3.27Å; V336-A338 PolarHBondContact O-N 2.76Å; V336-I339 WeakPolarHBondContact O-CB 3.3Å; V336-I339 PolarHBondContact O-N 3.27Å; V336-G340 PolarHBondContact O-N 2.97Å; V336-L357 HydrophobicContact CG1-CD2 3.78Å; V336-L360 HydrophobicContact CG2-CD1 4.31Å; V336-V368 HydrophobicContact CG2-CG1 4.05Å; V336-E371 HydrophobicContact CB-CB 4.49Å; V336-E371 HydrophobicContact CB-CG 3.93Å; V336-E371 HydrophobicContact CG1-CB 4.22Å; V336-E371 HydrophobicContact CG1-CG 3.87Å; V336-A372 HydrophobicContact CG1-CB 4.04Å; V336-V375 HydrophobicContact CG1-CG2 4.35Å |
| 337 | R | 91.9 | Very high | 89.5 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.6 | -40.3 | 172.6 | -166.3 | 78.8 | -178.5 | 156.7 | 3.6 | 112.1 | R333 K334 G340 R341 E371 V375 D378 | R333-R337 WeakPolarHBondContact O-CB 3.26Å; R333-R337 PolarHBondContact O-N 2.89Å; K334-R337 WeakPolarHBondContact O-CB 3.38Å; K334-R337 PolarHBondContact O-N 3.46Å; R337-G340 WeakPolarHBondContact O-CA 3.47Å; R337-G340 PolarHBondContact O-N 3.36Å; R337-R341 PolarHBondContact O-N 3.15Å; R337-E371 VanDerWaalsContact CD-OE1 3.25Å; R337-E371 WeakPolarHBondContact CD-OE1 3.35Å; R337-V375 HydrophobicContact CB-CG2 4.47Å; R337-D378 IonicContact CZ-OD2 3.54Å; R337-D378 IonicContact NH1-OD2 3.07Å; R337-D378 PolarHBondContact NH1-OD2 3.42Å; R337-D378 IonicContact NH2-OD2 3.71Å; R337-D378 PolarHBondContact NH2-OD2 3.19Å |
| 338 | A | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L301 I305 L320 K334 A335 V336 G340 R341 C342 | L301-A338 HydrophobicContact CD1-CB 4.39Å; L301-A338 HydrophobicContact CD2-CB 3.98Å; L301-A338 HydrophobicContact CG-CB 4.17Å; I305-A338 HydrophobicContact CD1-CB 3.3Å; I305-A338 HydrophobicContact CG1-CB 3.71Å; L320-A338 HydrophobicContact CD1-CB 4.09Å; L320-A338 HydrophobicContact CD2-CB 3.89Å; K334-A338 WeakPolarHBondContact O-CB 3.45Å; K334-A338 PolarHBondContact O-N 3.47Å; A335-A338 VanDerWaalsContact O-CB 3.28Å; A335-A338 WeakPolarHBondContact O-CB 3.42Å; A335-A338 PolarHBondContact O-N 3.08Å; A335-A338 VanDerWaalsContact O-N 3.15Å; V336-A338 VanDerWaalsContact C-N 3.27Å; V336-A338 PolarHBondContact O-N 2.76Å; A338-G340 PolarHBondContact O-N 3.19Å; A338-R341 PolarHBondContact O-N 3.03Å; A338-C342 WeakPolarHBondContact O-CB 3.28Å; A338-C342 PolarHBondContact O-N 2.7Å; A338-C342 PolarHBondContact O-SG 3.36Å; A338-C342 VanDerWaalsContact O-SG 3.36Å |
| 339 | I | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -41.6 | 173.4 | -64 | 170.7 | 0 | 0 | 0 | 110.1 | L317 L320 A335 V336 C342 A343 C353 L357 L360 | L317-I339 HydrophobicContact CD1-CB 4.4Å; L317-I339 HydrophobicContact CD1-CD1 4.44Å; L317-I339 HydrophobicContact CD1-CG1 3.98Å; L317-I339 HydrophobicContact CD1-CG2 3.77Å; L320-I339 HydrophobicContact CB-CD1 4.12Å; L320-I339 HydrophobicContact CB-CG1 3.7Å; L320-I339 HydrophobicContact CD1-CG1 3.88Å; L320-I339 HydrophobicContact CG-CG1 4.4Å; A335-I339 WeakPolarHBondContact O-CG1 3.43Å; A335-I339 PolarHBondContact O-N 3.25Å; V336-I339 WeakPolarHBondContact O-CB 3.3Å; V336-I339 PolarHBondContact O-N 3.27Å; I339-C342 WeakPolarHBondContact O-CB 3.39Å; I339-C342 PolarHBondContact O-N 3.5Å; I339-A343 PolarHBondContact O-N 3.44Å; I339-A343 VanDerWaalsContact O-N 3.12Å; I339-C353 HydrophobicContact CG2-CB 3.84Å; I339-L357 HydrophobicContact CB-CD2 4.36Å; I339-L357 HydrophobicContact CG2-CD1 4.36Å; I339-L357 HydrophobicContact CG2-CD2 4.07Å; I339-L357 HydrophobicContact CG2-CG 3.95Å; I339-L360 HydrophobicContact CD1-CD1 3.97Å |
| 340 | G | 89.9 | Confident | 89.3 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -51.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V336 R337 A338 C342 A343 I344 | V336-G340 PolarHBondContact O-N 2.97Å; R337-G340 WeakPolarHBondContact O-CA 3.47Å; R337-G340 PolarHBondContact O-N 3.36Å; A338-G340 PolarHBondContact O-N 3.19Å; G340-C342 VanDerWaalsContact C-N 3.29Å; G340-C342 PolarHBondContact O-N 3.07Å; G340-A343 VanDerWaalsContact O-CB 3.3Å; G340-A343 WeakPolarHBondContact O-CB 3.48Å; G340-A343 PolarHBondContact O-N 3.08Å; G340-I344 WeakPolarHBondContact O-CG1 2.88Å; G340-I344 PolarHBondContact O-N 3.42Å; G340-I344 VanDerWaalsContact O-N 3.08Å |
| 341 | R | 88.6 | Confident | 89.3 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.1 | -41.6 | 177.6 | -71.9 | 178.7 | 171.9 | 163.6 | -3.4 | 111.5 | D302 I305 R337 A338 A343 I344 K345 D515 | D302-R341 IonicContact OD1-NH1 3.43Å; D302-R341 PolarHBondContact OD1-NH1 3.39Å; I305-R341 HydrophobicContact CG2-CB 3.9Å; R337-R341 PolarHBondContact O-N 3.15Å; A338-R341 PolarHBondContact O-N 3.03Å; R341-A343 VanDerWaalsContact C-N 3.3Å; R341-A343 PolarHBondContact O-N 3.17Å; R341-I344 PolarHBondContact O-N 3.15Å; R341-I344 VanDerWaalsContact O-N 3.15Å; R341-K345 WeakPolarHBondContact O-CB 3.19Å; R341-K345 PolarHBondContact O-N 2.94Å; R341-D515 IonicContact CZ-OD2 3.98Å; R341-D515 IonicContact NE-OD2 3.6Å; R341-D515 PolarHBondContact NE-OD2 3.15Å; R341-D515 VanDerWaalsContact NE-OD2 3.15Å; R341-D515 IonicContact NH1-OD2 3.84Å; R341-D515 IonicContact NH2-OD1 2.8Å; R341-D515 PolarHBondContact NH2-OD1 2.75Å; R341-D515 IonicContact NH2-OD2 2.7Å; R341-D515 PolarHBondContact NH2-OD2 3.31Å |
| 342 | C | 88.3 | Confident | 89.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.1 | -40.6 | 173.1 | -78.2 | 0 | 0 | 0 | 0 | 113 | I313 A338 I339 G340 K345 V346 S349 | I313-C342 HydrophobicContact CD1-CB 3.87Å; A338-C342 WeakPolarHBondContact O-CB 3.28Å; A338-C342 PolarHBondContact O-N 2.7Å; A338-C342 PolarHBondContact O-SG 3.36Å; A338-C342 VanDerWaalsContact O-SG 3.36Å; I339-C342 WeakPolarHBondContact O-CB 3.39Å; I339-C342 PolarHBondContact O-N 3.5Å; G340-C342 VanDerWaalsContact C-N 3.29Å; G340-C342 PolarHBondContact O-N 3.07Å; C342-K345 PolarHBondContact O-N 3.12Å; C342-V346 PolarHBondContact O-N 2.99Å; C342-V346 VanDerWaalsContact O-N 3.07Å; C342-S349 PolarHBondContact O-OG 3.13Å |
| 343 | A | 88.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I339 G340 R341 A350 C353 I379 Y383 | I339-A343 PolarHBondContact O-N 3.44Å; I339-A343 VanDerWaalsContact O-N 3.12Å; G340-A343 VanDerWaalsContact O-CB 3.3Å; G340-A343 WeakPolarHBondContact O-CB 3.48Å; G340-A343 PolarHBondContact O-N 3.08Å; R341-A343 VanDerWaalsContact C-N 3.3Å; R341-A343 PolarHBondContact O-N 3.17Å; A343-A350 HydrophobicContact CB-CB 4.27Å; A343-C353 HydrophobicContact CB-CB 3.64Å; A343-I379 HydrophobicContact CB-CD1 3.81Å; A343-I379 HydrophobicContact CB-CG1 4.08Å; A343-Y383 WeakPolarHBondContact O-CE2 3.35Å; A343-Y383 PolarHBondContact O-OH 3.1Å; A343-Y383 VanDerWaalsContact O-OH 3.08Å |
| 344 | I | 87.1 | Confident | 89.3 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.2 | -38.8 | 178.4 | -63.7 | 164.9 | 0 | 0 | 0 | 110.6 | G340 R341 D378 K382 Y383 I510 | G340-I344 WeakPolarHBondContact O-CG1 2.88Å; G340-I344 PolarHBondContact O-N 3.42Å; G340-I344 VanDerWaalsContact O-N 3.08Å; R341-I344 PolarHBondContact O-N 3.15Å; R341-I344 VanDerWaalsContact O-N 3.15Å; I344-D378 HydrophobicContact CD1-CB 4.31Å; I344-K382 HydrophobicContact CG2-CG 4.3Å; I344-Y383 PolarHBondContact O-OH 3.44Å; I344-I510 HydrophobicContact CD1-CD1 3.87Å |
| 345 | K | 84.6 | Confident | 89.3 | Confident | 66 Ų | 66 | 39.8 Ų | 39.8 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.9 | -47.6 | -177.6 | -171.7 | 174.5 | -176.8 | 162 | 0 | 114.1 | I305 R306 A308 R341 C342 E512 | I305-K345 PolarHBondContact O-NZ 3.46Å; R306-K345 VanDerWaalsContact C-NZ 3.3Å; R306-K345 PolarHBondContact O-NZ 3.27Å; A308-K345 WeakPolarHBondContact O-CE 3.33Å; R341-K345 WeakPolarHBondContact O-CB 3.19Å; R341-K345 PolarHBondContact O-N 2.94Å; C342-K345 PolarHBondContact O-N 3.12Å; K345-E512 WeakPolarHBondContact CA-OE2 3.36Å; K345-E512 WeakPolarHBondContact CB-OE2 3.36Å; K345-E512 WeakPolarHBondContact CD-OE1 3.5Å; K345-E512 WeakPolarHBondContact CG-OE2 3.42Å |
| 346 | V | 84.9 | Confident | 89.3 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 10% | 0.097 | 19% | 0.187 | C | C | . | . | trans | -121.1 | 101.3 | -174.3 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | Q310 C342 Q348 S349 A350 | Q310-V346 HydrophobicContact CG-CG1 3.69Å; C342-V346 PolarHBondContact O-N 2.99Å; C342-V346 VanDerWaalsContact O-N 3.07Å; V346-Q348 VanDerWaalsContact C-N 3.26Å; V346-Q348 HydrophobicContact CG1-CB 4.45Å; V346-Q348 PolarHBondContact O-N 3.37Å; V346-S349 WeakPolarHBondContact CB-OG 3.44Å; V346-S349 PolarHBondContact O-N 2.9Å; V346-S349 PolarHBondContact O-OG 3.42Å; V346-A350 PolarHBondContact O-N 2.95Å | ||
| 347 | E | 85.4 | Confident | 89.2 | Confident | 113 Ų | 113 | 40.6 Ų | 40.6 | 53% | 0.528 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -54.6 | -40.2 | -176.8 | -177 | 177.6 | -168.6 | 0 | 0 | 112.8 | S349 A350 Y383 K386 | E347-S349 PolarHBondContact O-N 3.03Å; E347-A350 VanDerWaalsContact O-CB 3.25Å; E347-A350 WeakPolarHBondContact O-CB 3.33Å; E347-A350 PolarHBondContact O-N 3.28Å; E347-Y383 WeakPolarHBondContact CA-OH 3.47Å; E347-Y383 HydrophobicContact CB-CE1 4.27Å; E347-Y383 HydrophobicContact CG-CE1 3.77Å; E347-K386 IonicContact OE1-NZ 2.89Å; E347-K386 PolarHBondContact OE1-NZ 3.49Å |
| 348 | Q | 85.7 | Confident | 89.2 | Confident | 140 Ų | 140 | 39.1 Ų | 39.1 | 65% | 0.654 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -63.2 | -23.5 | 179.8 | -65.8 | 177.6 | 4 | 0 | 0 | 113.8 | V346 | V346-Q348 VanDerWaalsContact C-N 3.26Å; V346-Q348 HydrophobicContact CG1-CB 4.45Å; V346-Q348 PolarHBondContact O-N 3.37Å |
| 349 | S | 87.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -91.1 | -10.6 | 175.6 | 51 | 0 | 0 | 0 | 0 | 113.9 | C342 V346 E347 E351 R352 C353 | C342-S349 PolarHBondContact O-OG 3.13Å; V346-S349 WeakPolarHBondContact CB-OG 3.44Å; V346-S349 PolarHBondContact O-N 2.9Å; V346-S349 PolarHBondContact O-OG 3.42Å; E347-S349 PolarHBondContact O-N 3.03Å; S349-E351 VanDerWaalsContact C-N 3.3Å; S349-E351 PolarHBondContact O-N 2.98Å; S349-R352 PolarHBondContact O-N 3.04Å; S349-C353 PolarHBondContact O-N 3.2Å; S349-C353 PolarHBondContact O-SG 2.89Å; S349-C353 VanDerWaalsContact O-SG 3.37Å |
| 350 | A | 88.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55 | -45.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A343 V346 E347 R352 C353 V354 Y383 Y387 | A343-A350 HydrophobicContact CB-CB 4.27Å; V346-A350 PolarHBondContact O-N 2.95Å; E347-A350 VanDerWaalsContact O-CB 3.25Å; E347-A350 WeakPolarHBondContact O-CB 3.33Å; E347-A350 PolarHBondContact O-N 3.28Å; A350-R352 VanDerWaalsContact C-N 3.33Å; A350-R352 PolarHBondContact O-N 3.12Å; A350-C353 PolarHBondContact O-N 3.35Å; A350-V354 WeakPolarHBondContact O-CB 3.32Å; A350-V354 WeakPolarHBondContact O-CG2 3.13Å; A350-V354 PolarHBondContact O-N 3.29Å; A350-Y383 HydrophobicContact CB-CD2 4.38Å; A350-Y383 HydrophobicContact CB-CE2 3.91Å; A350-Y387 WeakPolarHBondContact CB-OH 3.29Å |
| 351 | E | 89.6 | Confident | 89.1 | Confident | 119 Ų | 119 | 42.1 Ų | 42.1 | 56% | 0.556 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -55.2 | -45.8 | 175.2 | -173.9 | 66.9 | -143.9 | 0 | 0 | 112.5 | S349 V354 S355 Y387 | S349-E351 VanDerWaalsContact C-N 3.3Å; S349-E351 PolarHBondContact O-N 2.98Å; E351-V354 PolarHBondContact O-N 2.84Å; E351-S355 PolarHBondContact O-N 3.41Å; E351-Y387 VanDerWaalsContact OE2-CE1 3.28Å; E351-Y387 WeakPolarHBondContact OE2-CE1 3.29Å |
| 352 | R | 90.2 | Very high | 89.1 | Confident | 149 Ų | 149 | 45.2 Ų | 45.2 | 56% | 0.562 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -69.2 | -43.3 | -179.2 | -64.4 | -176.8 | -176.4 | 169.4 | 2.2 | 111.2 | L317 S349 A350 V354 S355 T356 | L317-R352 HydrophobicContact CD2-CB 3.85Å; S349-R352 PolarHBondContact O-N 3.04Å; A350-R352 VanDerWaalsContact C-N 3.33Å; A350-R352 PolarHBondContact O-N 3.12Å; R352-V354 VanDerWaalsContact C-N 3.32Å; R352-V354 PolarHBondContact O-N 2.71Å; R352-S355 PolarHBondContact O-N 2.88Å; R352-T356 WeakPolarHBondContact O-CG2 3.43Å; R352-T356 PolarHBondContact O-N 3.29Å; R352-T356 PolarHBondContact O-OG1 3.06Å |
| 353 | C | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 176 | -68.2 | 0 | 0 | 0 | 0 | 111 | I339 A343 S349 A350 T356 L357 | I339-C353 HydrophobicContact CG2-CB 3.84Å; A343-C353 HydrophobicContact CB-CB 3.64Å; S349-C353 PolarHBondContact O-N 3.2Å; S349-C353 PolarHBondContact O-SG 2.89Å; S349-C353 VanDerWaalsContact O-SG 3.37Å; A350-C353 PolarHBondContact O-N 3.35Å; C353-T356 VanDerWaalsContact C-OG1 3.31Å; C353-T356 VanDerWaalsContact CA-OG1 3.29Å; C353-T356 WeakPolarHBondContact CA-OG1 3.09Å; C353-T356 PolarHBondContact O-N 3.38Å; C353-T356 PolarHBondContact O-OG1 2.97Å; C353-L357 VanDerWaalsContact O-CG 3.27Å; C353-L357 WeakPolarHBondContact O-CG 3.48Å; C353-L357 PolarHBondContact O-N 3.39Å |
| 354 | V | 91.5 | Very high | 89 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 176.8 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | A350 E351 R352 T356 L357 L358 I379 Y387 I390 | A350-V354 WeakPolarHBondContact O-CB 3.32Å; A350-V354 WeakPolarHBondContact O-CG2 3.13Å; A350-V354 PolarHBondContact O-N 3.29Å; E351-V354 PolarHBondContact O-N 2.84Å; R352-V354 VanDerWaalsContact C-N 3.32Å; R352-V354 PolarHBondContact O-N 2.71Å; V354-T356 VanDerWaalsContact C-N 3.33Å; V354-T356 PolarHBondContact O-N 3.34Å; V354-L357 PolarHBondContact O-N 3.19Å; V354-L358 PolarHBondContact O-N 2.52Å; V354-I379 HydrophobicContact CG2-CD1 4.23Å; V354-I379 HydrophobicContact CG2-CG2 4.17Å; V354-Y387 HydrophobicContact CG1-CD1 4.26Å; V354-Y387 HydrophobicContact CG1-CG 4.29Å; V354-Y387 HydrophobicContact CG2-CD2 4.14Å; V354-Y387 HydrophobicContact CG2-CE2 4.17Å; V354-Y387 HydrophobicContact CG2-CG 4.31Å; V354-I390 HydrophobicContact CG1-CD1 3.03Å; V354-I390 HydrophobicContact CG1-CG1 4.48Å |
| 355 | S | 91.4 | Very high | 89.1 | Confident | 61 Ų | 61 | 57.2 Ų | 57.2 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 173.2 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | E351 R352 L358 D359 | E351-S355 PolarHBondContact O-N 3.41Å; R352-S355 PolarHBondContact O-N 2.88Å; S355-L358 PolarHBondContact O-N 3.39Å; S355-D359 PolarHBondContact O-N 3.25Å |
| 356 | T | 92.3 | Very high | 89.3 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68 | -36.1 | 177 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | L317 K321 R352 C353 V354 L358 D359 L360 | L317-T356 HydrophobicContact CD1-CG2 4.3Å; L317-T356 HydrophobicContact CD2-CG2 3.89Å; L317-T356 HydrophobicContact CG-CG2 4.04Å; K321-T356 HydrophobicContact CD-CG2 4.25Å; R352-T356 WeakPolarHBondContact O-CG2 3.43Å; R352-T356 PolarHBondContact O-N 3.29Å; R352-T356 PolarHBondContact O-OG1 3.06Å; C353-T356 VanDerWaalsContact C-OG1 3.31Å; C353-T356 VanDerWaalsContact CA-OG1 3.29Å; C353-T356 WeakPolarHBondContact CA-OG1 3.09Å; C353-T356 PolarHBondContact O-N 3.38Å; C353-T356 PolarHBondContact O-OG1 2.97Å; V354-T356 VanDerWaalsContact C-N 3.33Å; V354-T356 PolarHBondContact O-N 3.34Å; T356-L358 VanDerWaalsContact C-N 3.31Å; T356-D359 PolarHBondContact O-N 3.5Å; T356-L360 VanDerWaalsContact O-CG 3.3Å; T356-L360 WeakPolarHBondContact O-CG 3.49Å; T356-L360 PolarHBondContact O-N 3.47Å |
| 357 | L | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 174.5 | -70.2 | 168.7 | 0 | 0 | 0 | 110.7 | V336 I339 C353 V354 L360 I361 A372 V375 I376 I379 | V336-L357 HydrophobicContact CG1-CD2 3.78Å; I339-L357 HydrophobicContact CB-CD2 4.36Å; I339-L357 HydrophobicContact CG2-CD1 4.36Å; I339-L357 HydrophobicContact CG2-CD2 4.07Å; I339-L357 HydrophobicContact CG2-CG 3.95Å; C353-L357 VanDerWaalsContact O-CG 3.27Å; C353-L357 WeakPolarHBondContact O-CG 3.48Å; C353-L357 PolarHBondContact O-N 3.39Å; V354-L357 PolarHBondContact O-N 3.19Å; L357-L360 PolarHBondContact O-N 3.33Å; L357-I361 VanDerWaalsContact O-CG1 3.29Å; L357-I361 WeakPolarHBondContact O-CG1 3.41Å; L357-I361 PolarHBondContact O-N 2.96Å; L357-A372 HydrophobicContact CD2-CB 4.21Å; L357-V375 HydrophobicContact CD1-CG1 3.72Å; L357-V375 HydrophobicContact CD2-CG1 4.44Å; L357-I376 HydrophobicContact CB-CD1 4.46Å; L357-I376 HydrophobicContact CD1-CG1 4.09Å; L357-I379 HydrophobicContact CD1-CD1 3.76Å |
| 358 | L | 91.4 | Very high | 89.8 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.3 | -163.8 | 69.5 | 0 | 0 | 0 | 111.8 | V354 S355 T356 L360 I361 Q362 I390 T393 | V354-L358 PolarHBondContact O-N 2.52Å; S355-L358 PolarHBondContact O-N 3.39Å; T356-L358 VanDerWaalsContact C-N 3.31Å; L358-L360 VanDerWaalsContact C-N 3.27Å; L358-L360 PolarHBondContact O-N 2.84Å; L358-I361 PolarHBondContact O-N 3.46Å; L358-Q362 WeakPolarHBondContact O-CG 3.43Å; L358-Q362 PolarHBondContact O-N 3.1Å; L358-I390 HydrophobicContact CD1-CG2 4.01Å; L358-T393 HydrophobicContact CD1-CG2 4.04Å |
| 359 | D | 91.4 | Very high | 90 | Very high | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 172.6 | -67.9 | -11.9 | 0 | 0 | 0 | 111.3 | K321 S355 T356 Q362 T363 | K321-D359 IonicContact NZ-OD2 3.54Å; K321-D359 PolarHBondContact NZ-OD2 3.06Å; S355-D359 PolarHBondContact O-N 3.25Å; T356-D359 PolarHBondContact O-N 3.5Å; D359-Q362 WeakPolarHBondContact O-CB 3.44Å; D359-Q362 PolarHBondContact O-N 3.35Å; D359-T363 PolarHBondContact O-N 3.1Å |
| 360 | L | 90.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 177.8 | -72.1 | 172.7 | 0 | 0 | 0 | 111.7 | A324 V336 I339 T356 L357 L358 Q362 T363 V368 | A324-L360 HydrophobicContact CB-CD1 3.78Å; A324-L360 HydrophobicContact CB-CD2 3.75Å; A324-L360 HydrophobicContact CB-CG 4.45Å; V336-L360 HydrophobicContact CG2-CD1 4.31Å; I339-L360 HydrophobicContact CD1-CD1 3.97Å; T356-L360 VanDerWaalsContact O-CG 3.3Å; T356-L360 WeakPolarHBondContact O-CG 3.49Å; T356-L360 PolarHBondContact O-N 3.47Å; L357-L360 PolarHBondContact O-N 3.33Å; L358-L360 VanDerWaalsContact C-N 3.27Å; L358-L360 PolarHBondContact O-N 2.84Å; L360-Q362 VanDerWaalsContact C-N 3.3Å; L360-Q362 PolarHBondContact O-N 3.38Å; L360-T363 WeakPolarHBondContact O-CB 3.04Å; L360-T363 PolarHBondContact O-N 3.34Å; L360-T363 VanDerWaalsContact O-N 3.16Å; L360-T363 PolarHBondContact O-OG1 2.98Å; L360-V368 HydrophobicContact CB-CG1 3.93Å |
| 361 | I | 89.7 | Confident | 90.4 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | 174.5 | -69.8 | 162.7 | 0 | 0 | 0 | 110.7 | L357 L358 T363 K364 V369 A372 I376 L394 | L357-I361 VanDerWaalsContact O-CG1 3.29Å; L357-I361 WeakPolarHBondContact O-CG1 3.41Å; L357-I361 PolarHBondContact O-N 2.96Å; L358-I361 PolarHBondContact O-N 3.46Å; I361-T363 PolarHBondContact O-N 3.1Å; I361-K364 PolarHBondContact O-N 3.37Å; I361-V369 HydrophobicContact CG2-CG1 4.35Å; I361-V369 HydrophobicContact CG2-CG2 4.35Å; I361-A372 HydrophobicContact CD1-CB 4.15Å; I361-A372 HydrophobicContact CG1-CB 3.94Å; I361-I376 HydrophobicContact CD1-CD1 3.7Å; I361-L394 HydrophobicContact CD1-CD2 3.77Å |
| 362 | Q | 89 | Confident | 90.6 | Very high | 128 Ų | 128 | 44.6 Ų | 44.6 | 60% | 0.598 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.4 | -18.1 | 177.3 | -70.1 | 172.8 | 13.9 | 0 | 0 | 113.8 | L358 D359 L360 K364 | L358-Q362 WeakPolarHBondContact O-CG 3.43Å; L358-Q362 PolarHBondContact O-N 3.1Å; D359-Q362 WeakPolarHBondContact O-CB 3.44Å; D359-Q362 PolarHBondContact O-N 3.35Å; L360-Q362 VanDerWaalsContact C-N 3.3Å; L360-Q362 PolarHBondContact O-N 3.38Å; Q362-K364 PolarHBondContact O-N 3.09Å |
| 363 | T | 88.6 | Confident | 90.6 | Very high | 72 Ų | 72 | 37.5 Ų | 37.5 | 44% | 0.442 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.5 | 172.3 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | D359 L360 I361 V365 | D359-T363 PolarHBondContact O-N 3.1Å; L360-T363 WeakPolarHBondContact O-CB 3.04Å; L360-T363 PolarHBondContact O-N 3.34Å; L360-T363 VanDerWaalsContact O-N 3.16Å; L360-T363 PolarHBondContact O-OG1 2.98Å; I361-T363 PolarHBondContact O-N 3.1Å; T363-V365 PolarHBondContact O-N 3.45Å |
| 364 | K | 85.4 | Confident | 90.6 | Very high | 159 Ų | 159 | 38 Ų | 38 | 69% | 0.691 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 30.5 | -179.7 | -59.2 | -164.5 | 173.7 | -162.6 | 0 | 114.3 | I361 Q362 | I361-K364 PolarHBondContact O-N 3.37Å; Q362-K364 PolarHBondContact O-N 3.09Å |
| 365 | V | 88.6 | Confident | 90.6 | Very high | 48 Ų | 48 | 37.7 Ų | 37.7 | 29% | 0.291 | 19% | 0.194 | S | C | . | . | trans | -87.8 | 110.5 | 171 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | T363 Y367 V368 V369 | T363-V365 PolarHBondContact O-N 3.45Å; V365-Y367 HydrophobicContact CG1-CD1 3.77Å; V365-Y367 HydrophobicContact CG1-CD2 4.18Å; V365-Y367 HydrophobicContact CG1-CE1 3.26Å; V365-Y367 HydrophobicContact CG1-CE2 3.72Å; V365-Y367 HydrophobicContact CG1-CG 4.2Å; V365-Y367 PolarHBondContact O-N 2.93Å; V365-V368 HydrophobicContact CB-CB 4.22Å; V365-V368 HydrophobicContact CB-CG2 3.96Å; V365-V368 HydrophobicContact CG1-CB 4.43Å; V365-V368 HydrophobicContact CG1-CG2 3.79Å; V365-V368 WeakPolarHBondContact O-CB 3.11Å; V365-V368 PolarHBondContact O-N 2.91Å; V365-V369 WeakPolarHBondContact O-CG2 3.22Å; V365-V369 PolarHBondContact O-N 3.17Å | ||
| 366 | N | 89.2 | Confident | 90.6 | Very high | 85 Ų | 85 | 35.1 Ų | 35.1 | 46% | 0.455 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -49.4 | -52.9 | -169.5 | -65.1 | -0.6 | 0 | 0 | 0 | 114 | V368 V369 Q370 | N366-V368 VanDerWaalsContact C-N 3.26Å; N366-V368 PolarHBondContact O-N 3.33Å; N366-V369 PolarHBondContact O-N 3.36Å; N366-Q370 WeakPolarHBondContact O-CB 3.4Å; N366-Q370 WeakPolarHBondContact O-CG 3.35Å; N366-Q370 PolarHBondContact O-N 3.36Å; N366-Q370 PolarHBondContact O-NE2 2.98Å |
| 367 | Y | 89.3 | Confident | 90.5 | Very high | 70 Ų | 70 | 36.3 Ų | 36.3 | 28% | 0.275 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.4 | -24.9 | -177.5 | 58.4 | -99.1 | 0 | 0 | 0 | 113.7 | V329 V332 V365 E371 | V329-Y367 HydrophobicContact CG1-CD2 3.95Å; V329-Y367 HydrophobicContact CG1-CE2 4.5Å; V329-Y367 HydrophobicContact CG1-CG 3.97Å; V329-Y367 HydrophobicContact CG2-CD1 4.45Å; V329-Y367 HydrophobicContact CG2-CE1 4.29Å; V329-Y367 HydrophobicContact CG2-CE2 4.43Å; V332-Y367 HydrophobicContact CB-CE2 4.4Å; V332-Y367 HydrophobicContact CG1-CD2 4.39Å; V332-Y367 HydrophobicContact CG1-CE2 3.98Å; V365-Y367 HydrophobicContact CG1-CD1 3.77Å; V365-Y367 HydrophobicContact CG1-CD2 4.18Å; V365-Y367 HydrophobicContact CG1-CE1 3.26Å; V365-Y367 HydrophobicContact CG1-CE2 3.72Å; V365-Y367 HydrophobicContact CG1-CG 4.2Å; V365-Y367 PolarHBondContact O-N 2.93Å; Y367-E371 PolarHBondContact O-N 3.18Å |
| 368 | V | 91.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76.8 | -44.8 | 174.4 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | V332 V336 L360 V365 N366 Q370 E371 A372 | V332-V368 HydrophobicContact CG1-CG2 3.63Å; V336-V368 HydrophobicContact CG2-CG1 4.05Å; L360-V368 HydrophobicContact CB-CG1 3.93Å; V365-V368 HydrophobicContact CB-CB 4.22Å; V365-V368 HydrophobicContact CB-CG2 3.96Å; V365-V368 HydrophobicContact CG1-CB 4.43Å; V365-V368 HydrophobicContact CG1-CG2 3.79Å; V365-V368 WeakPolarHBondContact O-CB 3.11Å; V365-V368 PolarHBondContact O-N 2.91Å; N366-V368 VanDerWaalsContact C-N 3.26Å; N366-V368 PolarHBondContact O-N 3.33Å; V368-Q370 VanDerWaalsContact C-N 3.32Å; V368-Q370 PolarHBondContact O-N 2.74Å; V368-E371 PolarHBondContact O-N 2.85Å; V368-A372 WeakPolarHBondContact O-CB 3.25Å; V368-A372 PolarHBondContact O-N 3.32Å |
| 369 | V | 91.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 178 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | I361 V365 N366 A372 I373 N397 | I361-V369 HydrophobicContact CG2-CG1 4.35Å; I361-V369 HydrophobicContact CG2-CG2 4.35Å; V365-V369 WeakPolarHBondContact O-CG2 3.22Å; V365-V369 PolarHBondContact O-N 3.17Å; N366-V369 PolarHBondContact O-N 3.36Å; V369-A372 PolarHBondContact O-N 3.03Å; V369-I373 HydrophobicContact CG1-CD1 3.92Å; V369-I373 VanDerWaalsContact O-CG1 3.32Å; V369-I373 WeakPolarHBondContact O-CG1 3.36Å; V369-I373 PolarHBondContact O-N 3.46Å; V369-N397 HydrophobicContact CG1-CB 4.11Å |
| 370 | Q | 91.3 | Very high | 90 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.9 | -51 | 179.9 | -71.7 | 162.4 | 23.3 | 0 | 0 | 112.4 | N366 V368 A372 I373 V374 S400 L401 D402 A406 | N366-Q370 WeakPolarHBondContact O-CB 3.4Å; N366-Q370 WeakPolarHBondContact O-CG 3.35Å; N366-Q370 PolarHBondContact O-N 3.36Å; N366-Q370 PolarHBondContact O-NE2 2.98Å; V368-Q370 VanDerWaalsContact C-N 3.32Å; V368-Q370 PolarHBondContact O-N 2.74Å; Q370-A372 VanDerWaalsContact C-N 3.32Å; Q370-A372 PolarHBondContact O-N 2.79Å; Q370-I373 WeakPolarHBondContact O-CB 3.45Å; Q370-I373 PolarHBondContact O-N 3.15Å; Q370-V374 WeakPolarHBondContact O-CG2 3.4Å; Q370-V374 PolarHBondContact O-N 3.19Å; Q370-S400 PolarHBondContact NE2-O 3.08Å; Q370-L401 HydrophobicContact CG-CD2 3.82Å; Q370-D402 PolarHBondContact NE2-OD1 3.49Å; Q370-D402 PolarHBondContact OE1-OD1 3.39Å; Q370-A406 HydrophobicContact CB-CB 3.67Å; Q370-A406 HydrophobicContact CG-CB 4.04Å |
| 371 | E | 92.4 | Very high | 89.8 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 13% | 0.131 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 177.3 | -176.1 | 64.2 | -139.9 | 0 | 0 | 111.4 | R333 V336 R337 Y367 V368 I373 V374 V375 | R333-E371 HydrophobicContact CB-CB 4.46Å; R333-E371 HydrophobicContact CB-CG 4.05Å; R333-E371 HydrophobicContact CG-CB 4.11Å; R333-E371 HydrophobicContact CG-CG 4.26Å; R333-E371 WeakPolarHBondContact O-CG 3.32Å; V336-E371 HydrophobicContact CB-CB 4.49Å; V336-E371 HydrophobicContact CB-CG 3.93Å; V336-E371 HydrophobicContact CG1-CB 4.22Å; V336-E371 HydrophobicContact CG1-CG 3.87Å; R337-E371 VanDerWaalsContact CD-OE1 3.25Å; R337-E371 WeakPolarHBondContact CD-OE1 3.35Å; Y367-E371 PolarHBondContact O-N 3.18Å; V368-E371 PolarHBondContact O-N 2.85Å; E371-I373 VanDerWaalsContact C-N 3.28Å; E371-I373 PolarHBondContact O-N 3.41Å; E371-V374 PolarHBondContact O-N 3.41Å; E371-V375 WeakPolarHBondContact O-CG2 3.28Å; E371-V375 PolarHBondContact O-N 3.12Å |
| 372 | A | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V336 L357 I361 V368 V369 Q370 V375 I376 | V336-A372 HydrophobicContact CG1-CB 4.04Å; L357-A372 HydrophobicContact CD2-CB 4.21Å; I361-A372 HydrophobicContact CD1-CB 4.15Å; I361-A372 HydrophobicContact CG1-CB 3.94Å; V368-A372 WeakPolarHBondContact O-CB 3.25Å; V368-A372 PolarHBondContact O-N 3.32Å; V369-A372 PolarHBondContact O-N 3.03Å; Q370-A372 VanDerWaalsContact C-N 3.32Å; Q370-A372 PolarHBondContact O-N 2.79Å; A372-V375 PolarHBondContact O-N 3.35Å; A372-I376 WeakPolarHBondContact O-CB 3.45Å; A372-I376 WeakPolarHBondContact O-CD1 3.39Å; A372-I376 WeakPolarHBondContact O-CG1 3.32Å; A372-I376 PolarHBondContact O-N 2.96Å |
| 373 | I | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 175.1 | -71.8 | 161.8 | 0 | 0 | 0 | 111.3 | V369 Q370 E371 V375 I376 R377 L394 L401 A409 M410 | V369-I373 HydrophobicContact CG1-CD1 3.92Å; V369-I373 VanDerWaalsContact O-CG1 3.32Å; V369-I373 WeakPolarHBondContact O-CG1 3.36Å; V369-I373 PolarHBondContact O-N 3.46Å; Q370-I373 WeakPolarHBondContact O-CB 3.45Å; Q370-I373 PolarHBondContact O-N 3.15Å; E371-I373 VanDerWaalsContact C-N 3.28Å; E371-I373 PolarHBondContact O-N 3.41Å; I373-V375 VanDerWaalsContact C-N 3.26Å; I373-V375 PolarHBondContact O-N 3.49Å; I373-I376 PolarHBondContact O-N 3.14Å; I373-R377 PolarHBondContact O-N 3.45Å; I373-L394 HydrophobicContact CG1-CD2 4.01Å; I373-L401 HydrophobicContact CD1-CD2 3.61Å; I373-A409 HydrophobicContact CG2-CB 4.06Å; I373-M410 HydrophobicContact CG2-CB 4.27Å |
| 374 | V | 91.8 | Very high | 89.2 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | Q370 E371 R377 D378 D405 A406 A409 | Q370-V374 WeakPolarHBondContact O-CG2 3.4Å; Q370-V374 PolarHBondContact O-N 3.19Å; E371-V374 PolarHBondContact O-N 3.41Å; V374-R377 WeakPolarHBondContact O-CB 3.28Å; V374-D378 PolarHBondContact O-N 2.88Å; V374-D405 HydrophobicContact CG2-CB 4.22Å; V374-A406 HydrophobicContact CG2-CB 4.08Å; V374-A409 HydrophobicContact CB-CB 4.48Å; V374-A409 HydrophobicContact CG2-CB 4.14Å |
| 375 | V | 91.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.4 | -46.6 | 176 | 166.9 | 0 | 0 | 0 | 0 | 112.2 | V336 R337 L357 E371 A372 I373 R377 D378 I379 | V336-V375 HydrophobicContact CG1-CG2 4.35Å; R337-V375 HydrophobicContact CB-CG2 4.47Å; L357-V375 HydrophobicContact CD1-CG1 3.72Å; L357-V375 HydrophobicContact CD2-CG1 4.44Å; E371-V375 WeakPolarHBondContact O-CG2 3.28Å; E371-V375 PolarHBondContact O-N 3.12Å; A372-V375 PolarHBondContact O-N 3.35Å; I373-V375 VanDerWaalsContact C-N 3.26Å; I373-V375 PolarHBondContact O-N 3.49Å; V375-R377 VanDerWaalsContact C-N 3.28Å; V375-R377 PolarHBondContact O-N 3.25Å; V375-D378 PolarHBondContact O-N 2.98Å; V375-I379 HydrophobicContact CG1-CD1 3.96Å; V375-I379 HydrophobicContact CG1-CG1 4.41Å; V375-I379 WeakPolarHBondContact O-CG1 3.37Å; V375-I379 PolarHBondContact O-N 3.41Å |
| 376 | I | 90.9 | Very high | 88.7 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | -179.6 | -70.7 | 164.3 | 0 | 0 | 0 | 110.7 | L357 I361 A372 I373 D378 I379 F380 I390 L394 | L357-I376 HydrophobicContact CB-CD1 4.46Å; L357-I376 HydrophobicContact CD1-CG1 4.09Å; I361-I376 HydrophobicContact CD1-CD1 3.7Å; A372-I376 WeakPolarHBondContact O-CB 3.45Å; A372-I376 WeakPolarHBondContact O-CD1 3.39Å; A372-I376 WeakPolarHBondContact O-CG1 3.32Å; A372-I376 PolarHBondContact O-N 2.96Å; I373-I376 PolarHBondContact O-N 3.14Å; I376-D378 VanDerWaalsContact C-N 3.28Å; I376-D378 PolarHBondContact O-N 3.34Å; I376-I379 PolarHBondContact O-N 3.43Å; I376-F380 HydrophobicContact CG2-CD2 4.23Å; I376-F380 HydrophobicContact CG2-CE2 4.1Å; I376-F380 HydrophobicContact CG2-CZ 4.39Å; I376-F380 PolarHBondContact O-N 3Å; I376-I390 HydrophobicContact CD1-CG2 4.49Å; I376-L394 HydrophobicContact CD1-CD2 4.03Å; I376-L394 HydrophobicContact CG2-CD1 4.06Å |
| 377 | R | 89.5 | Confident | 88.4 | Confident | 40 Ų | 40 | 30.3 Ų | 30.3 | 15% | 0.151 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -52.4 | -49 | 170.4 | -178.6 | -157.6 | 65.2 | -155.3 | -5.5 | 111.2 | I373 V374 V375 F380 R381 A409 W412 I413 | I373-R377 PolarHBondContact O-N 3.45Å; V374-R377 WeakPolarHBondContact O-CB 3.28Å; V375-R377 VanDerWaalsContact C-N 3.28Å; V375-R377 PolarHBondContact O-N 3.25Å; R377-F380 PolarHBondContact O-N 3.49Å; R377-R381 WeakPolarHBondContact O-CG 3.46Å; R377-R381 PolarHBondContact O-N 3.38Å; R377-A409 HydrophobicContact CB-CB 4.02Å; R377-A409 HydrophobicContact CG-CB 4.27Å; R377-W412 HydrophobicContact CB-CE3 4.35Å; R377-W412 HydrophobicContact CB-CZ3 4.45Å; R377-W412 HydrophobicContact CG-CD2 3.84Å; R377-W412 HydrophobicContact CG-CE3 3.33Å; R377-W412 HydrophobicContact CG-CG 4.45Å; R377-W412 HydrophobicContact CG-CH2 4.43Å; R377-W412 HydrophobicContact CG-CZ3 3.65Å; R377-I413 HydrophobicContact CB-CD1 4.45Å |
| 378 | D | 88.8 | Confident | 88 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.5 | -36 | -178.9 | -64.2 | -22.6 | 0 | 0 | 0 | 111.4 | R337 I344 V374 V375 I376 R381 K382 I510 | R337-D378 IonicContact CZ-OD2 3.54Å; R337-D378 IonicContact NH1-OD2 3.07Å; R337-D378 PolarHBondContact NH1-OD2 3.42Å; R337-D378 IonicContact NH2-OD2 3.71Å; R337-D378 PolarHBondContact NH2-OD2 3.19Å; I344-D378 HydrophobicContact CD1-CB 4.31Å; V374-D378 PolarHBondContact O-N 2.88Å; V375-D378 PolarHBondContact O-N 2.98Å; I376-D378 VanDerWaalsContact C-N 3.28Å; I376-D378 PolarHBondContact O-N 3.34Å; D378-R381 WeakPolarHBondContact O-CB 3.4Å; D378-R381 PolarHBondContact O-N 3.05Å; D378-R381 IonicContact OD1-NH1 2.65Å; D378-R381 PolarHBondContact OD1-NH1 2.95Å; D378-K382 PolarHBondContact O-N 3.4Å; D378-I510 HydrophobicContact CB-CD1 3.96Å; D378-I510 WeakPolarHBondContact O-CD1 3.34Å |
| 379 | I | 88.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 170.9 | -64.1 | 172.5 | 0 | 0 | 0 | 111 | A343 V354 L357 V375 I376 R381 K382 Y383 Y387 | A343-I379 HydrophobicContact CB-CD1 3.81Å; A343-I379 HydrophobicContact CB-CG1 4.08Å; V354-I379 HydrophobicContact CG2-CD1 4.23Å; V354-I379 HydrophobicContact CG2-CG2 4.17Å; L357-I379 HydrophobicContact CD1-CD1 3.76Å; V375-I379 HydrophobicContact CG1-CD1 3.96Å; V375-I379 HydrophobicContact CG1-CG1 4.41Å; V375-I379 WeakPolarHBondContact O-CG1 3.37Å; V375-I379 PolarHBondContact O-N 3.41Å; I376-I379 PolarHBondContact O-N 3.43Å; I379-R381 VanDerWaalsContact C-N 3.32Å; I379-R381 PolarHBondContact O-N 3.5Å; I379-K382 PolarHBondContact O-N 3.43Å; I379-K382 VanDerWaalsContact O-N 3.08Å; I379-Y383 HydrophobicContact CG2-CD2 4.01Å; I379-Y383 PolarHBondContact O-N 2.84Å; I379-Y387 HydrophobicContact CG2-CD2 4.26Å; I379-Y387 HydrophobicContact CG2-CE2 4.19Å |
| 380 | F | 88.1 | Confident | 87.5 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -33.9 | 175.8 | -82.5 | -21 | 0 | 0 | 0 | 113.2 | I376 R377 K382 Y383 P384 Y387 I391 W412 I413 Y417 | I376-F380 HydrophobicContact CG2-CD2 4.23Å; I376-F380 HydrophobicContact CG2-CE2 4.1Å; I376-F380 HydrophobicContact CG2-CZ 4.39Å; I376-F380 PolarHBondContact O-N 3Å; R377-F380 PolarHBondContact O-N 3.49Å; F380-K382 PolarHBondContact O-N 3.42Å; F380-Y383 CarbonylContact O-C 3.42Å; F380-P384 WeakPolarHBondContact O-CA 3.29Å; F380-Y387 WeakPolarHBondContact CZ-O 3.44Å; F380-I391 HydrophobicContact CE2-CD1 4.18Å; F380-I391 HydrophobicContact CE2-CG1 3.81Å; F380-I391 HydrophobicContact CZ-CD1 4.24Å; F380-I391 HydrophobicContact CZ-CG1 3.87Å; F380-W412 HydrophobicContact CB-CH2 4.2Å; F380-W412 HydrophobicContact CB-CZ3 4.11Å; F380-I413 HydrophobicContact CD2-CD1 4.36Å; F380-I413 HydrophobicContact CD2-CG1 4.28Å; F380-I413 HydrophobicContact CE2-CD1 4.48Å; F380-I413 HydrophobicContact CE2-CG2 4.29Å; F380-Y417 HydrophobicContact CB-CE2 4.49Å; F380-Y417 AromaticContact CD2-CE2 3.73Å; F380-Y417 HydrophobicContact CD2-CE2 3.73Å; F380-Y417 HydrophobicContact CE2-CE2 4.05Å; F380-Y417 HydrophobicContact CG-CE2 4.14Å |
| 381 | R | 86.6 | Confident | 87.2 | Confident | 105 Ų | 105 | 34.7 Ų | 34.7 | 40% | 0.396 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.6 | -25.9 | 172.9 | -70.4 | 170.8 | 66.5 | -167.3 | 4.1 | 112.6 | R377 D378 I379 W412 L509 I510 | R377-R381 WeakPolarHBondContact O-CG 3.46Å; R377-R381 PolarHBondContact O-N 3.38Å; D378-R381 WeakPolarHBondContact O-CB 3.4Å; D378-R381 PolarHBondContact O-N 3.05Å; D378-R381 IonicContact OD1-NH1 2.65Å; D378-R381 PolarHBondContact OD1-NH1 2.95Å; I379-R381 VanDerWaalsContact C-N 3.32Å; I379-R381 PolarHBondContact O-N 3.5Å; R381-W412 HydrophobicContact CG-CH2 3.4Å; R381-W412 HydrophobicContact CG-CZ2 3.35Å; R381-W412 HydrophobicContact CG-CZ3 4.31Å; R381-L509 VanDerWaalsContact O-CD2 3.26Å; R381-L509 WeakPolarHBondContact O-CD2 3.07Å; R381-I510 HydrophobicContact CB-CD1 4.32Å; R381-I510 HydrophobicContact CB-CG1 4.4Å; R381-I510 HydrophobicContact CB-CG2 4.35Å; R381-I510 VanDerWaalsContact CZ-CG2 3.48Å; R381-I510 VanDerWaalsContact NH2-CG2 3.35Å |
| 382 | K | 86.7 | Confident | 86.9 | Confident | 53 Ų | 53 | 36.3 Ų | 36.3 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -89.1 | -41.1 | 176.4 | -173.3 | 59.7 | 164.5 | -170 | 0 | 112.8 | I344 D378 I379 F380 P384 L509 I510 | I344-K382 HydrophobicContact CG2-CG 4.3Å; D378-K382 PolarHBondContact O-N 3.4Å; I379-K382 PolarHBondContact O-N 3.43Å; I379-K382 VanDerWaalsContact O-N 3.08Å; F380-K382 PolarHBondContact O-N 3.42Å; K382-P384 WeakPolarHBondContact O-CD 3.38Å; K382-L509 HydrophobicContact CD-CB 4.41Å; K382-I510 HydrophobicContact CB-CD1 4.46Å; K382-I510 HydrophobicContact CB-CG1 4.11Å; K382-I510 HydrophobicContact CD-CG1 4.42Å; K382-I510 WeakPolarHBondContact CD-O 3.43Å; K382-I510 PolarHBondContact NZ-O 2.97Å |
| 383 | Y | 86.6 | Confident | 86.5 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -123.8 | 73.1 | -176.7 | -53.2 | -66.1 | 0 | 0 | 0 | 110.3 | A343 I344 E347 A350 I379 F380 Y387 | A343-Y383 WeakPolarHBondContact O-CE2 3.35Å; A343-Y383 PolarHBondContact O-OH 3.1Å; A343-Y383 VanDerWaalsContact O-OH 3.08Å; I344-Y383 PolarHBondContact O-OH 3.44Å; E347-Y383 WeakPolarHBondContact CA-OH 3.47Å; E347-Y383 HydrophobicContact CB-CE1 4.27Å; E347-Y383 HydrophobicContact CG-CE1 3.77Å; A350-Y383 HydrophobicContact CB-CD2 4.38Å; A350-Y383 HydrophobicContact CB-CE2 3.91Å; I379-Y383 HydrophobicContact CG2-CD2 4.01Å; I379-Y383 PolarHBondContact O-N 2.84Å; F380-Y383 CarbonylContact O-C 3.42Å; Y383-Y387 HydrophobicContact CD2-CE2 4.44Å |
| 384 | P | 81.7 | Confident | 86.2 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 146 | -179 | 27.1 | -34.4 | 0 | 0 | 0 | 111 | F380 K382 K386 | F380-P384 WeakPolarHBondContact O-CA 3.29Å; K382-P384 WeakPolarHBondContact O-CD 3.38Å; P384-K386 VanDerWaalsContact C-N 3.26Å; P384-K386 PolarHBondContact O-N 3.11Å; P384-K386 VanDerWaalsContact O-N 3.17Å |
| 385 | N | 79.3 | Confident | 85.8 | Confident | 90 Ų | 90 | 38.8 Ų | 38.8 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 16.5 | 175.3 | -53.3 | -65.4 | 0 | 0 | 0 | 117.1 | E388 Y417 R420 | N385-E388 VanDerWaalsContact CA-OE1 3.29Å; N385-E388 WeakPolarHBondContact CA-OE1 3.25Å; N385-E388 WeakPolarHBondContact CB-OE1 3.38Å; N385-E388 PolarHBondContact OD1-OE1 2.87Å; N385-Y417 PolarHBondContact N-OH 3.19Å; N385-R420 PolarHBondContact OD1-NH2 3.44Å; N385-R420 VanDerWaalsContact OD1-NH2 3.07Å |
| 386 | K | 82.8 | Confident | 85.5 | Confident | 112 Ų | 112 | 45.7 Ų | 45.7 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -93.1 | -41.4 | 178 | -68.8 | -163.5 | -171.7 | 174.9 | 0 | 114.4 | E347 P384 | E347-K386 IonicContact OE1-NZ 2.89Å; E347-K386 PolarHBondContact OE1-NZ 3.49Å; P384-K386 VanDerWaalsContact C-N 3.26Å; P384-K386 PolarHBondContact O-N 3.11Å; P384-K386 VanDerWaalsContact O-N 3.17Å |
| 387 | Y | 83.9 | Confident | 85.1 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -115.8 | 38.1 | -169.3 | -46.3 | -71.9 | 0 | 0 | 0 | 113.9 | A350 E351 V354 I379 F380 Y383 S389 I390 | A350-Y387 WeakPolarHBondContact CB-OH 3.29Å; E351-Y387 VanDerWaalsContact OE2-CE1 3.28Å; E351-Y387 WeakPolarHBondContact OE2-CE1 3.29Å; V354-Y387 HydrophobicContact CG1-CD1 4.26Å; V354-Y387 HydrophobicContact CG1-CG 4.29Å; V354-Y387 HydrophobicContact CG2-CD2 4.14Å; V354-Y387 HydrophobicContact CG2-CE2 4.17Å; V354-Y387 HydrophobicContact CG2-CG 4.31Å; I379-Y387 HydrophobicContact CG2-CD2 4.26Å; I379-Y387 HydrophobicContact CG2-CE2 4.19Å; F380-Y387 WeakPolarHBondContact CZ-O 3.44Å; Y383-Y387 HydrophobicContact CD2-CE2 4.44Å; Y387-S389 VanDerWaalsContact C-N 3.27Å; Y387-S389 PolarHBondContact O-N 2.82Å; Y387-I390 WeakPolarHBondContact O-CB 3.5Å; Y387-I390 PolarHBondContact O-N 3.47Å |
| 388 | E | 81.3 | Confident | 84.7 | Confident | 43 Ų | 43 | 45.9 Ų | 45.9 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.3 | -171.8 | -64.3 | 175 | -160.8 | 0 | 0 | 114.8 | N385 I390 I391 Y417 R420 | N385-E388 VanDerWaalsContact CA-OE1 3.29Å; N385-E388 WeakPolarHBondContact CA-OE1 3.25Å; N385-E388 WeakPolarHBondContact CB-OE1 3.38Å; N385-E388 PolarHBondContact OD1-OE1 2.87Å; E388-I390 PolarHBondContact O-N 3.3Å; E388-I391 HydrophobicContact CB-CD1 4.2Å; E388-I391 HydrophobicContact CG-CD1 4.38Å; E388-I391 WeakPolarHBondContact O-CB 3.45Å; E388-I391 WeakPolarHBondContact O-CG1 3.32Å; E388-I391 PolarHBondContact O-N 2.72Å; E388-Y417 HydrophobicContact CG-CE1 4.38Å; E388-R420 IonicContact OE1-CZ 3.05Å; E388-R420 IonicContact OE1-NE 3.01Å; E388-R420 IonicContact OE1-NH1 2.65Å; E388-R420 PolarHBondContact OE1-NH1 3.09Å; E388-R420 IonicContact OE1-NH2 2.68Å; E388-R420 PolarHBondContact OE1-NH2 3.07Å; E388-R420 WeakPolarHBondContact OE2-CD 3.5Å; E388-R420 IonicContact OE2-CZ 3.74Å; E388-R420 IonicContact OE2-NE 3.38Å; E388-R420 PolarHBondContact OE2-NE 2.85Å; E388-R420 IonicContact OE2-NH1 2.88Å; E388-R420 PolarHBondContact OE2-NH1 3.27Å |
| 389 | S | 83.7 | Confident | 84.2 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 74% | 0.741 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -55.8 | -20.4 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | Y387 | Y387-S389 VanDerWaalsContact C-N 3.27Å; Y387-S389 PolarHBondContact O-N 2.82Å |
| 390 | I | 86.5 | Confident | 83.9 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -80.7 | -25.1 | -178.8 | -58.2 | 175.8 | 0 | 0 | 0 | 111.7 | V354 L358 I376 Y387 E388 A392 T393 L394 | V354-I390 HydrophobicContact CG1-CD1 3.03Å; V354-I390 HydrophobicContact CG1-CG1 4.48Å; L358-I390 HydrophobicContact CD1-CG2 4.01Å; I376-I390 HydrophobicContact CD1-CG2 4.49Å; Y387-I390 WeakPolarHBondContact O-CB 3.5Å; Y387-I390 PolarHBondContact O-N 3.47Å; E388-I390 PolarHBondContact O-N 3.3Å; I390-A392 VanDerWaalsContact C-N 3.27Å; I390-A392 PolarHBondContact O-N 2.9Å; I390-T393 WeakPolarHBondContact O-CB 3.45Å; I390-T393 PolarHBondContact O-N 2.89Å; I390-L394 HydrophobicContact CG2-CD1 4.34Å; I390-L394 HydrophobicContact CG2-CD2 4.06Å; I390-L394 HydrophobicContact CG2-CG 3.98Å; I390-L394 WeakPolarHBondContact O-CG 3.5Å; I390-L394 PolarHBondContact O-N 3.06Å |
| 391 | I | 85.9 | Confident | 83.7 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.3 | -42.4 | -175.1 | -63.3 | 172.8 | 0 | 0 | 0 | 110.9 | F380 E388 T393 L394 C395 I413 Y417 I421 | F380-I391 HydrophobicContact CE2-CD1 4.18Å; F380-I391 HydrophobicContact CE2-CG1 3.81Å; F380-I391 HydrophobicContact CZ-CD1 4.24Å; F380-I391 HydrophobicContact CZ-CG1 3.87Å; E388-I391 HydrophobicContact CB-CD1 4.2Å; E388-I391 HydrophobicContact CG-CD1 4.38Å; E388-I391 WeakPolarHBondContact O-CB 3.45Å; E388-I391 WeakPolarHBondContact O-CG1 3.32Å; E388-I391 PolarHBondContact O-N 2.72Å; I391-T393 VanDerWaalsContact C-N 3.33Å; I391-T393 PolarHBondContact O-N 3.07Å; I391-L394 WeakPolarHBondContact O-CB 3.2Å; I391-L394 PolarHBondContact O-N 3.03Å; I391-L394 VanDerWaalsContact O-N 3.09Å; I391-C395 PolarHBondContact O-N 3.33Å; I391-C395 PolarHBondContact O-SG 3.21Å; I391-I413 HydrophobicContact CG1-CG2 4.25Å; I391-I413 HydrophobicContact CG2-CG2 4.33Å; I391-Y417 HydrophobicContact CD1-CD1 4.19Å; I391-Y417 HydrophobicContact CD1-CD2 3.71Å; I391-Y417 HydrophobicContact CD1-CE2 4.28Å; I391-Y417 HydrophobicContact CD1-CG 3.66Å; I391-I421 HydrophobicContact CG2-CD1 3.72Å; I391-I421 HydrophobicContact CG2-CG1 3.92Å |
| 392 | A | 85.3 | Confident | 83.6 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 51% | 0.512 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.4 | -45.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I390 L394 C395 E396 | I390-A392 VanDerWaalsContact C-N 3.27Å; I390-A392 PolarHBondContact O-N 2.9Å; A392-L394 VanDerWaalsContact C-N 3.33Å; A392-L394 PolarHBondContact O-N 2.87Å; A392-C395 PolarHBondContact O-N 3.13Å; A392-E396 PolarHBondContact O-N 3.46Å; A392-E396 VanDerWaalsContact O-N 3.11Å |
| 393 | T | 85.5 | Confident | 83.8 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 176.4 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | L358 I390 I391 N397 | L358-T393 HydrophobicContact CD1-CG2 4.04Å; I390-T393 WeakPolarHBondContact O-CB 3.45Å; I390-T393 PolarHBondContact O-N 2.89Å; I391-T393 VanDerWaalsContact C-N 3.33Å; I391-T393 PolarHBondContact O-N 3.07Å; T393-N397 PolarHBondContact O-ND2 3.23Å |
| 394 | L | 85.6 | Confident | 84 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 173.8 | -58.7 | -176.1 | 0 | 0 | 0 | 111.4 | I361 I373 I376 I390 I391 A392 E396 N397 M410 I413 | I361-L394 HydrophobicContact CD1-CD2 3.77Å; I373-L394 HydrophobicContact CG1-CD2 4.01Å; I376-L394 HydrophobicContact CD1-CD2 4.03Å; I376-L394 HydrophobicContact CG2-CD1 4.06Å; I390-L394 HydrophobicContact CG2-CD1 4.34Å; I390-L394 HydrophobicContact CG2-CD2 4.06Å; I390-L394 HydrophobicContact CG2-CG 3.98Å; I390-L394 WeakPolarHBondContact O-CG 3.5Å; I390-L394 PolarHBondContact O-N 3.06Å; I391-L394 WeakPolarHBondContact O-CB 3.2Å; I391-L394 PolarHBondContact O-N 3.03Å; I391-L394 VanDerWaalsContact O-N 3.09Å; A392-L394 VanDerWaalsContact C-N 3.33Å; A392-L394 PolarHBondContact O-N 2.87Å; L394-E396 VanDerWaalsContact C-N 3.3Å; L394-E396 PolarHBondContact O-N 3.06Å; L394-N397 PolarHBondContact O-N 2.92Å; L394-N397 VanDerWaalsContact O-N 3.08Å; L394-M410 HydrophobicContact CB-CE 3.99Å; L394-M410 HydrophobicContact CB-SD 4.04Å; L394-I413 HydrophobicContact CD1-CD1 3.78Å |
| 395 | C | 83.8 | Confident | 84.4 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 176.4 | -65.6 | 0 | 0 | 0 | 0 | 112 | I391 A392 N397 L398 M410 | I391-C395 PolarHBondContact O-N 3.33Å; I391-C395 PolarHBondContact O-SG 3.21Å; A392-C395 PolarHBondContact O-N 3.13Å; C395-N397 PolarHBondContact O-N 3.26Å; C395-N397 VanDerWaalsContact O-N 3.09Å; C395-L398 HydrophobicContact CB-CD1 4Å; C395-L398 WeakPolarHBondContact O-CB 3.28Å; C395-L398 WeakPolarHBondContact O-CD1 3.37Å; C395-L398 WeakPolarHBondContact O-CG 3.33Å; C395-L398 PolarHBondContact O-N 3.07Å; C395-M410 HydrophobicContact CB-CE 4.2Å; C395-M410 WeakPolarHBondContact SG-CE 3.43Å |
| 396 | E | 84.6 | Confident | 85.1 | Confident | 147 Ų | 147 | 52.9 Ų | 52.9 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.9 | 175 | -70.7 | 171.6 | -167.6 | 0 | 0 | 114 | A392 L394 | A392-E396 PolarHBondContact O-N 3.46Å; A392-E396 VanDerWaalsContact O-N 3.11Å; L394-E396 VanDerWaalsContact C-N 3.3Å; L394-E396 PolarHBondContact O-N 3.06Å |
| 397 | N | 82.2 | Confident | 85.5 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 13.5 | -176.9 | -66.1 | -74.3 | 0 | 0 | 0 | 113.7 | V369 T393 L394 C395 D399 S400 | V369-N397 HydrophobicContact CG1-CB 4.11Å; T393-N397 PolarHBondContact O-ND2 3.23Å; L394-N397 PolarHBondContact O-N 2.92Å; L394-N397 VanDerWaalsContact O-N 3.08Å; C395-N397 PolarHBondContact O-N 3.26Å; C395-N397 VanDerWaalsContact O-N 3.09Å; N397-D399 VanDerWaalsContact C-N 3.28Å; N397-D399 PolarHBondContact O-N 3.39Å; N397-S400 PolarHBondContact O-N 3.43Å; N397-S400 VanDerWaalsContact O-N 3.17Å; N397-S400 PolarHBondContact O-OG 3.3Å |
| 398 | L | 80.2 | Confident | 85.9 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -55.4 | -39.4 | 179.5 | -76.2 | 156.2 | 0 | 0 | 0 | 113.3 | C395 S400 L401 M410 L427 F431 | C395-L398 HydrophobicContact CB-CD1 4Å; C395-L398 WeakPolarHBondContact O-CB 3.28Å; C395-L398 WeakPolarHBondContact O-CD1 3.37Å; C395-L398 WeakPolarHBondContact O-CG 3.33Å; C395-L398 PolarHBondContact O-N 3.07Å; L398-S400 PolarHBondContact O-N 3.22Å; L398-S400 VanDerWaalsContact O-N 3.12Å; L398-L401 HydrophobicContact CD2-CD1 4.43Å; L398-L401 WeakPolarHBondContact O-CB 3.4Å; L398-L401 WeakPolarHBondContact O-CG 3.36Å; L398-L401 PolarHBondContact O-N 3.17Å; L398-M410 HydrophobicContact CD1-CE 4.43Å; L398-M410 HydrophobicContact CD2-CE 3.76Å; L398-M410 HydrophobicContact CD2-CG 3.48Å; L398-M410 VanDerWaalsContact CD2-CG 3.48Å; L398-M410 HydrophobicContact CD2-SD 4.45Å; L398-M410 HydrophobicContact CG-CE 4.07Å; L398-L427 HydrophobicContact CD1-CD1 3.86Å; L398-L427 HydrophobicContact CD1-CD2 3.45Å; L398-L427 VanDerWaalsContact CD1-CD2 3.45Å; L398-L427 HydrophobicContact CD1-CG 4.21Å; L398-F431 HydrophobicContact CD2-CE2 3.85Å; L398-F431 HydrophobicContact CD2-CZ 3.69Å |
| 399 | D | 80.3 | Confident | 86.4 | Confident | 167 Ų | 167 | 46.7 Ų | 46.7 | 89% | 0.893 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -67.6 | -13.3 | -176.9 | -57.9 | -22.6 | 0 | 0 | 0 | 113.5 | N397 | N397-D399 VanDerWaalsContact C-N 3.28Å; N397-D399 PolarHBondContact O-N 3.39Å |
| 400 | S | 81.1 | Confident | 86.8 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -93.9 | 3.4 | -178.7 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | Q370 N397 L398 | Q370-S400 PolarHBondContact NE2-O 3.08Å; N397-S400 PolarHBondContact O-N 3.43Å; N397-S400 VanDerWaalsContact O-N 3.17Å; N397-S400 PolarHBondContact O-OG 3.3Å; L398-S400 PolarHBondContact O-N 3.22Å; L398-S400 VanDerWaalsContact O-N 3.12Å |
| 401 | L | 83.2 | Confident | 87.1 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -92 | 104.6 | -174.7 | -56.6 | -179.6 | 0 | 0 | 0 | 112.3 | Q370 I373 L398 A406 R407 M410 | Q370-L401 HydrophobicContact CG-CD2 3.82Å; I373-L401 HydrophobicContact CD1-CD2 3.61Å; L398-L401 HydrophobicContact CD2-CD1 4.43Å; L398-L401 WeakPolarHBondContact O-CB 3.4Å; L398-L401 WeakPolarHBondContact O-CG 3.36Å; L398-L401 PolarHBondContact O-N 3.17Å; L401-A406 HydrophobicContact CD2-CB 4.15Å; L401-R407 HydrophobicContact CB-CG 3.72Å; L401-R407 HydrophobicContact CD1-CG 4.46Å; L401-M410 HydrophobicContact CD1-CB 3.81Å; L401-M410 HydrophobicContact CD1-CG 3.99Å | ||
| 402 | D | 86.4 | Confident | 87.4 | Confident | 101 Ų | 101 | 42.7 Ų | 42.7 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | trans | -102.5 | -27.1 | 171 | 57.3 | -1 | 0 | 0 | 0 | 112.6 | Q370 | Q370-D402 PolarHBondContact NE2-OD1 3.49Å; Q370-D402 PolarHBondContact OE1-OD1 3.39Å | ||
| 403 | E | 89.9 | Confident | 87.6 | Confident | 47 Ų | 47 | 39.7 Ų | 39.7 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | trans | -77.6 | 137.5 | -179.3 | -75 | -158.1 | 152.8 | 0 | 0 | 115.2 | R333 D405 A406 R407 | R333-E403 VanDerWaalsContact CZ-CD 3.48Å; R333-E403 IonicContact CZ-OE1 2.84Å; R333-E403 IonicContact CZ-OE2 3.15Å; R333-E403 VanDerWaalsContact NH1-CD 3.29Å; R333-E403 IonicContact NH1-OE1 2.7Å; R333-E403 PolarHBondContact NH1-OE1 3.19Å; R333-E403 IonicContact NH1-OE2 2.72Å; R333-E403 PolarHBondContact NH1-OE2 3.03Å; R333-E403 IonicContact NH2-OE1 3.39Å; R333-E403 PolarHBondContact NH2-OE1 3.16Å; R333-E403 IonicContact NH2-OE2 3.23Å; R333-E403 PolarHBondContact NH2-OE2 2.85Å; E403-D405 VanDerWaalsContact C-N 3.34Å; E403-D405 PolarHBondContact O-N 3.42Å; E403-A406 HydrophobicContact CB-CB 4.29Å; E403-A406 PolarHBondContact O-N 3.14Å; E403-R407 WeakPolarHBondContact O-CG 3.29Å; E403-R407 PolarHBondContact O-N 2.91Å | ||
| 404 | P | 91.3 | Very high | 87.9 | Confident | 50 Ų | 50 | 37.8 Ų | 37.8 | 33% | 0.325 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.7 | -36.3 | -178.7 | 26.1 | -34.1 | 0 | 0 | 0 | 112.5 | R407 A408 S439 V442 | P404-R407 PolarHBondContact O-N 3.05Å; P404-A408 VanDerWaalsContact O-CB 3.26Å; P404-A408 WeakPolarHBondContact O-CB 3.43Å; P404-A408 PolarHBondContact O-N 3.43Å; P404-S439 WeakPolarHBondContact CB-OG 3.14Å; P404-V442 HydrophobicContact CB-CG2 3.84Å; P404-V442 VanDerWaalsContact O-CG2 3.26Å; P404-V442 WeakPolarHBondContact O-CG2 3.38Å |
| 405 | D | 90.6 | Very high | 88 | Confident | 75 Ų | 75 | 37.8 Ų | 37.8 | 40% | 0.401 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 179.3 | -76.8 | -38.5 | 0 | 0 | 0 | 112.3 | V374 E403 A409 Q441 | V374-D405 HydrophobicContact CG2-CB 4.22Å; E403-D405 VanDerWaalsContact C-N 3.34Å; E403-D405 PolarHBondContact O-N 3.42Å; D405-A409 VanDerWaalsContact O-CB 3.28Å; D405-A409 WeakPolarHBondContact O-CB 3.16Å; D405-A409 PolarHBondContact O-N 3.22Å; D405-Q441 PolarHBondContact OD1-NE2 2.97Å |
| 406 | A | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q370 V374 L401 E403 A409 M410 | Q370-A406 HydrophobicContact CB-CB 3.67Å; Q370-A406 HydrophobicContact CG-CB 4.04Å; V374-A406 HydrophobicContact CG2-CB 4.08Å; L401-A406 HydrophobicContact CD2-CB 4.15Å; E403-A406 HydrophobicContact CB-CB 4.29Å; E403-A406 PolarHBondContact O-N 3.14Å; A406-A409 WeakPolarHBondContact O-CB 3.22Å; A406-A409 PolarHBondContact O-N 3.11Å; A406-M410 WeakPolarHBondContact O-CB 3.43Å; A406-M410 PolarHBondContact O-N 3.39Å |
| 407 | R | 91.7 | Very high | 88.2 | Confident | 47 Ų | 47 | 33.2 Ų | 33.2 | 18% | 0.177 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -48.2 | 173.4 | -72.3 | -173.1 | -69.5 | -170.8 | 11.6 | 111.9 | L401 E403 P404 A409 M410 I411 E438 V442 | L401-R407 HydrophobicContact CB-CG 3.72Å; L401-R407 HydrophobicContact CD1-CG 4.46Å; E403-R407 WeakPolarHBondContact O-CG 3.29Å; E403-R407 PolarHBondContact O-N 2.91Å; P404-R407 PolarHBondContact O-N 3.05Å; R407-A409 VanDerWaalsContact C-N 3.27Å; R407-A409 PolarHBondContact O-N 3.47Å; R407-M410 PolarHBondContact O-N 3.25Å; R407-I411 WeakPolarHBondContact O-CB 3.44Å; R407-I411 VanDerWaalsContact O-CG1 3.25Å; R407-I411 WeakPolarHBondContact O-CG1 3.45Å; R407-I411 PolarHBondContact O-N 3.25Å; R407-E438 IonicContact CZ-OE1 3.21Å; R407-E438 IonicContact CZ-OE2 3.7Å; R407-E438 IonicContact NE-OE1 2.79Å; R407-E438 IonicContact NE-OE2 3.89Å; R407-E438 PolarHBondContact NE-OE2 3.44Å; R407-E438 IonicContact NH1-OE1 2.76Å; R407-E438 PolarHBondContact NH1-OE1 2.77Å; R407-E438 IonicContact NH1-OE2 2.73Å; R407-E438 VanDerWaalsContact NH2-CD 3.33Å; R407-E438 IonicContact NH2-OE1 3.52Å; R407-E438 PolarHBondContact NH2-OE1 3.4Å; R407-E438 IonicContact NH2-OE2 3.94Å; R407-E438 PolarHBondContact NH2-OE2 3.18Å; R407-V442 HydrophobicContact CB-CG2 4.35Å |
| 408 | A | 92.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P404 W412 V442 T445 | P404-A408 VanDerWaalsContact O-CB 3.26Å; P404-A408 WeakPolarHBondContact O-CB 3.43Å; P404-A408 PolarHBondContact O-N 3.43Å; A408-W412 WeakPolarHBondContact O-CB 3.43Å; A408-W412 PolarHBondContact O-N 3.44Å; A408-V442 HydrophobicContact CB-CG2 4.22Å; A408-T445 HydrophobicContact CB-CG2 4.42Å; A408-T445 WeakPolarHBondContact O-CG2 3.39Å |
| 409 | A | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I373 V374 R377 D405 A406 R407 W412 I413 | I373-A409 HydrophobicContact CG2-CB 4.06Å; V374-A409 HydrophobicContact CB-CB 4.48Å; V374-A409 HydrophobicContact CG2-CB 4.14Å; R377-A409 HydrophobicContact CB-CB 4.02Å; R377-A409 HydrophobicContact CG-CB 4.27Å; D405-A409 VanDerWaalsContact O-CB 3.28Å; D405-A409 WeakPolarHBondContact O-CB 3.16Å; D405-A409 PolarHBondContact O-N 3.22Å; A406-A409 WeakPolarHBondContact O-CB 3.22Å; A406-A409 PolarHBondContact O-N 3.11Å; R407-A409 VanDerWaalsContact C-N 3.27Å; R407-A409 PolarHBondContact O-N 3.47Å; A409-W412 WeakPolarHBondContact O-CB 3.41Å; A409-W412 PolarHBondContact O-N 3.07Å; A409-I413 WeakPolarHBondContact O-CG1 3.47Å; A409-I413 PolarHBondContact O-N 2.89Å |
| 410 | M | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.1 | -45.9 | 178.6 | -168.4 | 56 | -171.7 | 0 | 0 | 112.2 | I373 L394 C395 L398 L401 A406 R407 W412 I413 V414 | I373-M410 HydrophobicContact CG2-CB 4.27Å; L394-M410 HydrophobicContact CB-CE 3.99Å; L394-M410 HydrophobicContact CB-SD 4.04Å; C395-M410 HydrophobicContact CB-CE 4.2Å; C395-M410 WeakPolarHBondContact SG-CE 3.43Å; L398-M410 HydrophobicContact CD1-CE 4.43Å; L398-M410 HydrophobicContact CD2-CE 3.76Å; L398-M410 HydrophobicContact CD2-CG 3.48Å; L398-M410 VanDerWaalsContact CD2-CG 3.48Å; L398-M410 HydrophobicContact CD2-SD 4.45Å; L398-M410 HydrophobicContact CG-CE 4.07Å; L401-M410 HydrophobicContact CD1-CB 3.81Å; L401-M410 HydrophobicContact CD1-CG 3.99Å; A406-M410 WeakPolarHBondContact O-CB 3.43Å; A406-M410 PolarHBondContact O-N 3.39Å; R407-M410 PolarHBondContact O-N 3.25Å; M410-W412 PolarHBondContact O-N 3.36Å; M410-I413 WeakPolarHBondContact O-CB 3.25Å; M410-I413 PolarHBondContact O-N 3.46Å; M410-V414 HydrophobicContact CE-CG2 4.24Å; M410-V414 WeakPolarHBondContact O-CG2 3.21Å; M410-V414 PolarHBondContact O-N 3.33Å |
| 411 | I | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -39.4 | 174.7 | -68.5 | 165.8 | 0 | 0 | 0 | 110.9 | R407 V414 G415 L428 F431 V442 T445 L446 A449 | R407-I411 WeakPolarHBondContact O-CB 3.44Å; R407-I411 VanDerWaalsContact O-CG1 3.25Å; R407-I411 WeakPolarHBondContact O-CG1 3.45Å; R407-I411 PolarHBondContact O-N 3.25Å; I411-V414 PolarHBondContact O-N 3.26Å; I411-G415 PolarHBondContact O-N 2.93Å; I411-L428 HydrophobicContact CG2-CD2 4.09Å; I411-F431 HydrophobicContact CD1-CB 4.36Å; I411-F431 HydrophobicContact CD1-CD1 4.2Å; I411-F431 HydrophobicContact CD1-CD2 4.41Å; I411-F431 HydrophobicContact CD1-CG 4.08Å; I411-F431 HydrophobicContact CG1-CD1 4.47Å; I411-F431 HydrophobicContact CG1-CD2 3.94Å; I411-F431 HydrophobicContact CG1-CE2 4.13Å; I411-F431 HydrophobicContact CG1-CG 4.12Å; I411-F431 HydrophobicContact CG1-CZ 4.49Å; I411-V442 HydrophobicContact CD1-CG1 3.68Å; I411-T445 HydrophobicContact CB-CG2 4.35Å; I411-T445 HydrophobicContact CG2-CG2 4.07Å; I411-L446 HydrophobicContact CD1-CB 4.37Å; I411-L446 HydrophobicContact CD1-CD1 4.38Å; I411-L446 HydrophobicContact CG2-CB 4.22Å; I411-L446 HydrophobicContact CG2-CD1 4.03Å; I411-A449 HydrophobicContact CG2-CB 3.56Å |
| 412 | W | 92.5 | Very high | 88.6 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 17% | 0.167 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 173.7 | 177.6 | 93.2 | 0 | 0 | 0 | 112 | R377 F380 R381 A408 A409 M410 V414 G415 E416 T445 | R377-W412 HydrophobicContact CB-CE3 4.35Å; R377-W412 HydrophobicContact CB-CZ3 4.45Å; R377-W412 HydrophobicContact CG-CD2 3.84Å; R377-W412 HydrophobicContact CG-CE3 3.33Å; R377-W412 HydrophobicContact CG-CG 4.45Å; R377-W412 HydrophobicContact CG-CH2 4.43Å; R377-W412 HydrophobicContact CG-CZ3 3.65Å; F380-W412 HydrophobicContact CB-CH2 4.2Å; F380-W412 HydrophobicContact CB-CZ3 4.11Å; R381-W412 HydrophobicContact CG-CH2 3.4Å; R381-W412 HydrophobicContact CG-CZ2 3.35Å; R381-W412 HydrophobicContact CG-CZ3 4.31Å; A408-W412 WeakPolarHBondContact O-CB 3.43Å; A408-W412 PolarHBondContact O-N 3.44Å; A409-W412 WeakPolarHBondContact O-CB 3.41Å; A409-W412 PolarHBondContact O-N 3.07Å; M410-W412 PolarHBondContact O-N 3.36Å; W412-V414 VanDerWaalsContact C-N 3.34Å; W412-V414 PolarHBondContact O-N 3.3Å; W412-G415 PolarHBondContact O-N 3.46Å; W412-E416 HydrophobicContact CD2-CG 3.87Å; W412-E416 VanDerWaalsContact CE2-CG 3.46Å; W412-E416 HydrophobicContact CE3-CG 4.25Å; W412-E416 HydrophobicContact CG-CG 4.48Å; W412-E416 HydrophobicContact CH2-CG 3.98Å; W412-E416 HydrophobicContact CZ2-CG 3.53Å; W412-E416 HydrophobicContact CZ3-CG 4.32Å; W412-E416 WeakPolarHBondContact O-CG 3.28Å; W412-E416 PolarHBondContact O-N 3.27Å; W412-T445 HydrophobicContact CB-CG2 4.1Å |
| 413 | I | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 178.1 | -67.6 | 173.4 | 0 | 0 | 0 | 109.7 | R377 F380 I391 L394 A409 M410 G415 E416 Y417 | R377-I413 HydrophobicContact CB-CD1 4.45Å; F380-I413 HydrophobicContact CD2-CD1 4.36Å; F380-I413 HydrophobicContact CD2-CG1 4.28Å; F380-I413 HydrophobicContact CE2-CD1 4.48Å; F380-I413 HydrophobicContact CE2-CG2 4.29Å; I391-I413 HydrophobicContact CG1-CG2 4.25Å; I391-I413 HydrophobicContact CG2-CG2 4.33Å; L394-I413 HydrophobicContact CD1-CD1 3.78Å; A409-I413 WeakPolarHBondContact O-CG1 3.47Å; A409-I413 PolarHBondContact O-N 2.89Å; M410-I413 WeakPolarHBondContact O-CB 3.25Å; M410-I413 PolarHBondContact O-N 3.46Å; I413-G415 PolarHBondContact O-N 2.96Å; I413-E416 PolarHBondContact O-N 3.15Å; I413-Y417 HydrophobicContact CG2-CD2 4.14Å; I413-Y417 WeakPolarHBondContact O-CD2 3.49Å; I413-Y417 PolarHBondContact O-N 3.36Å |
| 414 | V | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 111 | M410 I411 W412 Y417 A418 I421 A424 L428 | M410-V414 HydrophobicContact CE-CG2 4.24Å; M410-V414 WeakPolarHBondContact O-CG2 3.21Å; M410-V414 PolarHBondContact O-N 3.33Å; I411-V414 PolarHBondContact O-N 3.26Å; W412-V414 VanDerWaalsContact C-N 3.34Å; W412-V414 PolarHBondContact O-N 3.3Å; V414-Y417 CarbonylContact O-C 3.6Å; V414-A418 VanDerWaalsContact O-CA 3.26Å; V414-A418 WeakPolarHBondContact O-CA 3.4Å; V414-A418 WeakPolarHBondContact O-CB 3.46Å; V414-A418 PolarHBondContact O-N 2.63Å; V414-I421 HydrophobicContact CB-CD1 4.45Å; V414-I421 HydrophobicContact CG1-CD1 4.5Å; V414-I421 HydrophobicContact CG2-CD1 4.38Å; V414-A424 HydrophobicContact CG1-CB 3.9Å; V414-L428 HydrophobicContact CB-CD2 4.3Å; V414-L428 HydrophobicContact CG1-CD1 4.29Å; V414-L428 HydrophobicContact CG1-CD2 3.96Å; V414-L428 HydrophobicContact CG1-CG 3.88Å |
| 415 | G | 88.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.1 | -34.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I411 W412 I413 K456 | I411-G415 PolarHBondContact O-N 2.93Å; W412-G415 PolarHBondContact O-N 3.46Å; I413-G415 PolarHBondContact O-N 2.96Å; G415-K456 PolarHBondContact O-NZ 3.04Å |
| 416 | E | 86.4 | Confident | 87.9 | Confident | 57 Ų | 57 | 39.3 Ų | 39.3 | 27% | 0.266 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73 | -41.3 | 175.9 | -74.2 | -60.1 | 158.8 | 0 | 0 | 112.2 | W412 I413 K452 K456 | W412-E416 HydrophobicContact CD2-CG 3.87Å; W412-E416 VanDerWaalsContact CE2-CG 3.46Å; W412-E416 HydrophobicContact CE3-CG 4.25Å; W412-E416 HydrophobicContact CG-CG 4.48Å; W412-E416 HydrophobicContact CH2-CG 3.98Å; W412-E416 HydrophobicContact CZ2-CG 3.53Å; W412-E416 HydrophobicContact CZ3-CG 4.32Å; W412-E416 WeakPolarHBondContact O-CG 3.28Å; W412-E416 PolarHBondContact O-N 3.27Å; I413-E416 PolarHBondContact O-N 3.15Å; E416-K452 WeakPolarHBondContact OE1-CE 3.41Å; E416-K452 IonicContact OE1-NZ 3.52Å; E416-K452 PolarHBondContact OE1-NZ 3.49Å; E416-K456 PolarHBondContact O-NZ 3.37Å |
| 417 | Y | 86.9 | Confident | 87.7 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -103.5 | 20.4 | -177 | -62.2 | -76.3 | 0 | 0 | 0 | 113.7 | F380 N385 E388 I391 I413 V414 E419 R420 I421 | F380-Y417 HydrophobicContact CB-CE2 4.49Å; F380-Y417 AromaticContact CD2-CE2 3.73Å; F380-Y417 HydrophobicContact CD2-CE2 3.73Å; F380-Y417 HydrophobicContact CE2-CE2 4.05Å; F380-Y417 HydrophobicContact CG-CE2 4.14Å; N385-Y417 PolarHBondContact N-OH 3.19Å; E388-Y417 HydrophobicContact CG-CE1 4.38Å; I391-Y417 HydrophobicContact CD1-CD1 4.19Å; I391-Y417 HydrophobicContact CD1-CD2 3.71Å; I391-Y417 HydrophobicContact CD1-CE2 4.28Å; I391-Y417 HydrophobicContact CD1-CG 3.66Å; I413-Y417 HydrophobicContact CG2-CD2 4.14Å; I413-Y417 WeakPolarHBondContact O-CD2 3.49Å; I413-Y417 PolarHBondContact O-N 3.36Å; V414-Y417 CarbonylContact O-C 3.6Å; Y417-E419 PolarHBondContact O-N 3.23Å; Y417-R420 PolarHBondContact O-N 3.45Å; Y417-I421 PolarHBondContact O-N 3Å; Y417-I421 VanDerWaalsContact O-N 3.13Å |
| 418 | A | 85.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -22.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V414 R420 L453 K456 K457 | V414-A418 VanDerWaalsContact O-CA 3.26Å; V414-A418 WeakPolarHBondContact O-CA 3.4Å; V414-A418 WeakPolarHBondContact O-CB 3.46Å; V414-A418 PolarHBondContact O-N 2.63Å; A418-R420 VanDerWaalsContact C-N 3.32Å; A418-L453 HydrophobicContact CB-CB 4.45Å; A418-L453 HydrophobicContact CB-CD1 3.78Å; A418-K456 HydrophobicContact CB-CD 4.03Å; A418-K457 VanDerWaalsContact O-CE 3.31Å; A418-K457 WeakPolarHBondContact O-CE 3.49Å; A418-K457 PolarHBondContact O-NZ 3.39Å |
| 419 | E | 82.8 | Confident | 87.5 | Confident | 121 Ų | 121 | 42.3 Ų | 42.3 | 57% | 0.565 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -25.2 | 176.6 | -51.8 | -173.6 | -178.5 | 0 | 0 | 112.6 | Y417 K456 | Y417-E419 PolarHBondContact O-N 3.23Å; E419-K456 HydrophobicContact CG-CB 4.07Å; E419-K456 HydrophobicContact CG-CD 3.62Å; E419-K456 HydrophobicContact CG-CG 3.89Å; E419-K456 WeakPolarHBondContact OE1-CE 3.46Å; E419-K456 WeakPolarHBondContact OE1-CG 3.09Å |
| 420 | R | 82.7 | Confident | 87.3 | Confident | 141 Ų | 141 | 45.5 Ų | 45.5 | 53% | 0.532 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -19.9 | -176 | -55.3 | -168.1 | -167 | -155.3 | 14.9 | 112.9 | N385 E388 Y417 A418 | N385-R420 PolarHBondContact OD1-NH2 3.44Å; N385-R420 VanDerWaalsContact OD1-NH2 3.07Å; E388-R420 IonicContact OE1-CZ 3.05Å; E388-R420 IonicContact OE1-NE 3.01Å; E388-R420 IonicContact OE1-NH1 2.65Å; E388-R420 PolarHBondContact OE1-NH1 3.09Å; E388-R420 IonicContact OE1-NH2 2.68Å; E388-R420 PolarHBondContact OE1-NH2 3.07Å; E388-R420 WeakPolarHBondContact OE2-CD 3.5Å; E388-R420 IonicContact OE2-CZ 3.74Å; E388-R420 IonicContact OE2-NE 3.38Å; E388-R420 PolarHBondContact OE2-NE 2.85Å; E388-R420 IonicContact OE2-NH1 2.88Å; E388-R420 PolarHBondContact OE2-NH1 3.27Å; Y417-R420 PolarHBondContact O-N 3.45Å; A418-R420 VanDerWaalsContact C-N 3.32Å |
| 421 | I | 84.3 | Confident | 87.1 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | trans | -90.2 | 112.2 | 175 | -57.8 | 165.7 | 0 | 0 | 0 | 107.2 | I391 V414 Y417 N423 A424 K457 | I391-I421 HydrophobicContact CG2-CD1 3.72Å; I391-I421 HydrophobicContact CG2-CG1 3.92Å; V414-I421 HydrophobicContact CB-CD1 4.45Å; V414-I421 HydrophobicContact CG1-CD1 4.5Å; V414-I421 HydrophobicContact CG2-CD1 4.38Å; Y417-I421 PolarHBondContact O-N 3Å; Y417-I421 VanDerWaalsContact O-N 3.13Å; I421-N423 WeakPolarHBondContact CG2-OD1 3.15Å; I421-A424 HydrophobicContact CB-CB 4.05Å; I421-A424 HydrophobicContact CG2-CB 3.88Å; I421-K457 PolarHBondContact O-NZ 3.49Å; I421-K457 VanDerWaalsContact O-NZ 3.1Å | ||
| 422 | D | 78.6 | Confident | 87 | Confident | 138 Ų | 138 | 47 Ų | 47 | 74% | 0.738 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -43.3 | -176.2 | -69.1 | -29.7 | 0 | 0 | 0 | 111.6 | A424 | D422-A424 VanDerWaalsContact C-N 3.32Å; D422-A424 PolarHBondContact O-N 3.3Å |
| 423 | N | 84.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 27.3 | -179.8 | 65.1 | -33.7 | 0 | 0 | 0 | 114.3 | I421 D425 L427 | I421-N423 WeakPolarHBondContact CG2-OD1 3.15Å; N423-D425 VanDerWaalsContact C-N 3.29Å; N423-D425 VanDerWaalsContact C-OD1 3.31Å; N423-D425 PolarHBondContact O-N 3.25Å; N423-L427 VanDerWaalsContact O-CG 3.27Å; N423-L427 WeakPolarHBondContact O-CG 3.23Å; N423-L427 PolarHBondContact O-N 2.69Å |
| 424 | A | 86.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -31.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V414 I421 D422 L428 L453 | V414-A424 HydrophobicContact CG1-CB 3.9Å; I421-A424 HydrophobicContact CB-CB 4.05Å; I421-A424 HydrophobicContact CG2-CB 3.88Å; D422-A424 VanDerWaalsContact C-N 3.32Å; D422-A424 PolarHBondContact O-N 3.3Å; A424-L428 WeakPolarHBondContact O-CB 3.47Å; A424-L428 WeakPolarHBondContact O-CG 3.42Å; A424-L428 PolarHBondContact O-N 3.1Å; A424-L428 VanDerWaalsContact O-N 3.07Å; A424-L453 HydrophobicContact CB-CD1 4.28Å |
| 425 | D | 86.1 | Confident | 86.6 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 22% | 0.219 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -54.5 | 174.6 | 51.1 | -14.5 | 0 | 0 | 0 | 112 | N423 L427 L428 E429 L453 L464 | N423-D425 VanDerWaalsContact C-N 3.29Å; N423-D425 VanDerWaalsContact C-OD1 3.31Å; N423-D425 PolarHBondContact O-N 3.25Å; D425-L427 VanDerWaalsContact C-N 3.27Å; D425-L427 PolarHBondContact O-N 3.26Å; D425-L428 PolarHBondContact O-N 3.1Å; D425-E429 WeakPolarHBondContact O-CB 3.47Å; D425-E429 PolarHBondContact O-N 3.39Å; D425-L453 HydrophobicContact CB-CD2 4.43Å; D425-L464 HydrophobicContact CB-CD1 4.11Å |
| 426 | E | 87 | Confident | 86.6 | Confident | 132 Ų | 132 | 58.9 Ų | 58.9 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.6 | -40.6 | 178 | -64.5 | -178.5 | 173.1 | 0 | 0 | 111.4 | E429 S430 | E426-E429 PolarHBondContact O-N 3.14Å; E426-S430 PolarHBondContact O-N 3.12Å; E426-S430 VanDerWaalsContact O-N 3.17Å |
| 427 | L | 87.9 | Confident | 86.7 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 178.7 | -68.1 | -179.3 | 0 | 0 | 0 | 112.1 | L398 N423 D425 E429 S430 F431 | L398-L427 HydrophobicContact CD1-CD1 3.86Å; L398-L427 HydrophobicContact CD1-CD2 3.45Å; L398-L427 VanDerWaalsContact CD1-CD2 3.45Å; L398-L427 HydrophobicContact CD1-CG 4.21Å; N423-L427 VanDerWaalsContact O-CG 3.27Å; N423-L427 WeakPolarHBondContact O-CG 3.23Å; N423-L427 PolarHBondContact O-N 2.69Å; D425-L427 VanDerWaalsContact C-N 3.27Å; D425-L427 PolarHBondContact O-N 3.26Å; L427-E429 VanDerWaalsContact C-N 3.33Å; L427-S430 PolarHBondContact O-N 2.92Å; L427-S430 PolarHBondContact O-OG 3.32Å; L427-F431 WeakPolarHBondContact O-CD2 3.46Å; L427-F431 PolarHBondContact O-N 3.09Å |
| 428 | L | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.4 | -30.1 | 178.7 | -70.2 | -174.5 | 0 | 0 | 0 | 112.4 | I411 V414 A424 D425 F431 L432 L446 A449 I450 L453 | I411-L428 HydrophobicContact CG2-CD2 4.09Å; V414-L428 HydrophobicContact CB-CD2 4.3Å; V414-L428 HydrophobicContact CG1-CD1 4.29Å; V414-L428 HydrophobicContact CG1-CD2 3.96Å; V414-L428 HydrophobicContact CG1-CG 3.88Å; A424-L428 WeakPolarHBondContact O-CB 3.47Å; A424-L428 WeakPolarHBondContact O-CG 3.42Å; A424-L428 PolarHBondContact O-N 3.1Å; A424-L428 VanDerWaalsContact O-N 3.07Å; D425-L428 PolarHBondContact O-N 3.1Å; L428-F431 PolarHBondContact O-N 2.81Å; L428-L432 WeakPolarHBondContact O-CB 3.41Å; L428-L432 PolarHBondContact O-N 2.73Å; L428-L446 HydrophobicContact CB-CD1 4.49Å; L428-L446 HydrophobicContact CD2-CD1 3.88Å; L428-A449 HydrophobicContact CD1-CB 4.23Å; L428-A449 HydrophobicContact CD2-CB 4.39Å; L428-I450 HydrophobicContact CB-CG1 4.29Å; L428-I450 HydrophobicContact CD1-CG1 3.92Å; L428-L453 HydrophobicContact CD1-CB 4.29Å; L428-L453 HydrophobicContact CD1-CD2 3.78Å |
| 429 | E | 89.7 | Confident | 87 | Confident | 87 Ų | 87 | 66 Ų | 66 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 173.4 | -170.3 | 170.6 | -163.1 | 0 | 0 | 111.2 | D425 E426 L427 F431 L432 E433 L464 | D425-E429 WeakPolarHBondContact O-CB 3.47Å; D425-E429 PolarHBondContact O-N 3.39Å; E426-E429 PolarHBondContact O-N 3.14Å; L427-E429 VanDerWaalsContact C-N 3.33Å; E429-F431 VanDerWaalsContact C-N 3.26Å; E429-F431 PolarHBondContact O-N 2.63Å; E429-L432 WeakPolarHBondContact O-CA 3.31Å; E429-L432 WeakPolarHBondContact O-CB 3.42Å; E429-L432 PolarHBondContact O-N 3.07Å; E429-E433 PolarHBondContact O-N 2.99Å; E429-L464 HydrophobicContact CB-CD2 3.84Å; E429-L464 HydrophobicContact CG-CD2 3.87Å |
| 430 | S | 88.7 | Confident | 87.4 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 46% | 0.462 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -36.7 | 176 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | E426 L427 | E426-S430 PolarHBondContact O-N 3.12Å; E426-S430 VanDerWaalsContact O-N 3.17Å; L427-S430 PolarHBondContact O-N 2.92Å; L427-S430 PolarHBondContact O-OG 3.32Å |
| 431 | F | 88.4 | Confident | 87.9 | Confident | 27 Ų | 27 | 61 Ų | 61 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75 | -27.2 | 175.1 | -71.2 | -64.5 | 0 | 0 | 0 | 112.7 | L398 I411 L427 L428 E429 L446 | L398-F431 HydrophobicContact CD2-CE2 3.85Å; L398-F431 HydrophobicContact CD2-CZ 3.69Å; I411-F431 HydrophobicContact CD1-CB 4.36Å; I411-F431 HydrophobicContact CD1-CD1 4.2Å; I411-F431 HydrophobicContact CD1-CD2 4.41Å; I411-F431 HydrophobicContact CD1-CG 4.08Å; I411-F431 HydrophobicContact CG1-CD1 4.47Å; I411-F431 HydrophobicContact CG1-CD2 3.94Å; I411-F431 HydrophobicContact CG1-CE2 4.13Å; I411-F431 HydrophobicContact CG1-CG 4.12Å; I411-F431 HydrophobicContact CG1-CZ 4.49Å; L427-F431 WeakPolarHBondContact O-CD2 3.46Å; L427-F431 PolarHBondContact O-N 3.09Å; L428-F431 PolarHBondContact O-N 2.81Å; E429-F431 VanDerWaalsContact C-N 3.26Å; E429-F431 PolarHBondContact O-N 2.63Å; F431-L446 HydrophobicContact CB-CD1 4Å; F431-L446 HydrophobicContact CB-CD2 4.11Å |
| 432 | L | 89.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74 | -32.7 | 178 | -169.9 | 64 | 0 | 0 | 0 | 112.1 | L428 E429 G434 F435 L446 I450 L464 Q467 V468 L471 | L428-L432 WeakPolarHBondContact O-CB 3.41Å; L428-L432 PolarHBondContact O-N 2.73Å; E429-L432 WeakPolarHBondContact O-CA 3.31Å; E429-L432 WeakPolarHBondContact O-CB 3.42Å; E429-L432 PolarHBondContact O-N 3.07Å; L432-G434 PolarHBondContact O-N 3.22Å; L432-F435 HydrophobicContact CD1-CB 4.47Å; L432-F435 HydrophobicContact CD1-CD2 4.19Å; L432-F435 VanDerWaalsContact O-CB 3.28Å; L432-F435 WeakPolarHBondContact O-CB 3.2Å; L432-F435 PolarHBondContact O-N 3.14Å; L432-F435 VanDerWaalsContact O-N 3.12Å; L432-L446 HydrophobicContact CB-CD2 4.47Å; L432-L446 HydrophobicContact CD1-CD2 4.21Å; L432-I450 HydrophobicContact CD1-CD1 4.12Å; L432-I450 HydrophobicContact CD2-CD1 4.32Å; L432-L464 HydrophobicContact CD2-CD2 4.19Å; L432-Q467 HydrophobicContact CD2-CB 4.11Å; L432-Q467 HydrophobicContact CD2-CG 3.89Å; L432-V468 HydrophobicContact CD1-CB 3.69Å; L432-V468 HydrophobicContact CD1-CG2 3.69Å; L432-V468 HydrophobicContact CD2-CB 4.45Å; L432-L471 HydrophobicContact CD1-CD1 3.97Å; L432-L471 HydrophobicContact CG-CD1 4.28Å |
| 433 | E | 88.3 | Confident | 89 | Confident | 163 Ų | 163 | 54.8 Ų | 54.8 | 76% | 0.762 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.3 | -33.7 | 173.4 | -68.3 | -173.6 | 169.6 | 0 | 0 | 112.2 | E429 | E429-E433 PolarHBondContact O-N 2.99Å |
| 434 | G | 87.3 | Confident | 89.4 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 11.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L432 H436 D437 E438 | L432-G434 PolarHBondContact O-N 3.22Å; G434-H436 VanDerWaalsContact C-N 3.3Å; G434-H436 PolarHBondContact O-N 3.39Å; G434-H436 VanDerWaalsContact O-N 3.07Å; G434-D437 PolarHBondContact O-N 3.22Å; G434-E438 WeakPolarHBondContact O-CG 3.38Å; G434-E438 PolarHBondContact O-N 3.49Å |
| 435 | F | 88.9 | Confident | 89.7 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -40.9 | -166.5 | -176 | -99.4 | 0 | 0 | 0 | 115.3 | L432 Q443 L446 V468 L471 A472 L481 | L432-F435 HydrophobicContact CD1-CB 4.47Å; L432-F435 HydrophobicContact CD1-CD2 4.19Å; L432-F435 VanDerWaalsContact O-CB 3.28Å; L432-F435 WeakPolarHBondContact O-CB 3.2Å; L432-F435 PolarHBondContact O-N 3.14Å; L432-F435 VanDerWaalsContact O-N 3.12Å; F435-Q443 HydrophobicContact CD2-CB 4.42Å; F435-Q443 HydrophobicContact CD2-CG 4.12Å; F435-Q443 HydrophobicContact CE1-CG 4.43Å; F435-Q443 HydrophobicContact CE2-CB 3.75Å; F435-Q443 HydrophobicContact CE2-CG 3.87Å; F435-Q443 HydrophobicContact CZ-CB 3.97Å; F435-Q443 HydrophobicContact CZ-CG 4.04Å; F435-Q443 WeakPolarHBondContact O-CG 3.47Å; F435-Q443 PolarHBondContact O-NE2 2.82Å; F435-L446 HydrophobicContact CD2-CD2 4.13Å; F435-V468 HydrophobicContact CE2-CG2 4.17Å; F435-L471 HydrophobicContact CB-CD1 4.32Å; F435-L471 HydrophobicContact CD1-CB 3.88Å; F435-L471 HydrophobicContact CD1-CD1 4.48Å; F435-L471 HydrophobicContact CE1-CB 3.92Å; F435-L471 HydrophobicContact CG-CB 4.49Å; F435-L471 HydrophobicContact CG-CD1 4.42Å; F435-A472 HydrophobicContact CZ-CB 4.19Å; F435-L481 HydrophobicContact CZ-CD2 4.02Å |
| 436 | H | 88.4 | Confident | 90 | Very high | 106 Ų | 106 | 52.3 Ų | 52.3 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -26.8 | -177.3 | -69.5 | -61.6 | 0 | 0 | 0 | 114.3 | G434 E438 D475 | G434-H436 VanDerWaalsContact C-N 3.3Å; G434-H436 PolarHBondContact O-N 3.39Å; G434-H436 VanDerWaalsContact O-N 3.07Å; H436-E438 VanDerWaalsContact C-N 3.25Å; H436-D475 VanDerWaalsContact CE1-CB 3.45Å; H436-D475 WeakPolarHBondContact CE1-CB 3.35Å |
| 437 | D | 88.4 | Confident | 90.3 | Very high | 152 Ų | 152 | 46 Ų | 46 | 81% | 0.813 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10 | -179.6 | -65.2 | -27.9 | 0 | 0 | 0 | 111.7 | G434 | G434-D437 PolarHBondContact O-N 3.22Š|
| 438 | E | 88.4 | Confident | 90.5 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -86.5 | 155.8 | -179.1 | -71.1 | -57.2 | 147.3 | 0 | 0 | 114.3 | R407 G434 H436 V442 Q443 | R407-E438 IonicContact CZ-OE1 3.21Å; R407-E438 IonicContact CZ-OE2 3.7Å; R407-E438 IonicContact NE-OE1 2.79Å; R407-E438 IonicContact NE-OE2 3.89Å; R407-E438 PolarHBondContact NE-OE2 3.44Å; R407-E438 IonicContact NH1-OE1 2.76Å; R407-E438 PolarHBondContact NH1-OE1 2.77Å; R407-E438 IonicContact NH1-OE2 2.73Å; R407-E438 VanDerWaalsContact NH2-CD 3.33Å; R407-E438 IonicContact NH2-OE1 3.52Å; R407-E438 PolarHBondContact NH2-OE1 3.4Å; R407-E438 IonicContact NH2-OE2 3.94Å; R407-E438 PolarHBondContact NH2-OE2 3.18Å; G434-E438 WeakPolarHBondContact O-CG 3.38Å; G434-E438 PolarHBondContact O-N 3.49Å; H436-E438 VanDerWaalsContact C-N 3.25Å; E438-V442 HydrophobicContact CB-CB 4.18Å; E438-V442 HydrophobicContact CB-CG1 4.04Å; E438-V442 HydrophobicContact CG-CG1 4.02Å; E438-Q443 HydrophobicContact CB-CG 4.3Å; E438-Q443 PolarHBondContact O-NE2 3.21Å |
| 439 | S | 91.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | trans | -67.7 | 154.8 | 173.6 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | P404 Q441 V442 Q443 | P404-S439 WeakPolarHBondContact CB-OG 3.14Å; S439-Q441 PolarHBondContact O-N 2.72Å; S439-V442 WeakPolarHBondContact O-CB 3.21Å; S439-V442 PolarHBondContact O-N 3.34Å; S439-V442 WeakPolarHBondContact OG-CG2 3.46Å; S439-V442 PolarHBondContact OG-N 2.79Å; S439-Q443 WeakPolarHBondContact O-CG 3.3Å; S439-Q443 PolarHBondContact O-N 3.16Å | ||
| 440 | T | 91.4 | Very high | 90.8 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 42% | 0.423 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.7 | -36.8 | 179 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | Q443 L444 N478 | T440-Q443 PolarHBondContact O-N 3.05Å; T440-L444 WeakPolarHBondContact O-CB 3.22Å; T440-L444 VanDerWaalsContact O-CG 3.26Å; T440-L444 WeakPolarHBondContact O-CG 3.48Å; T440-L444 PolarHBondContact O-N 3.45Å; T440-N478 HydrophobicContact CG2-CB 4.43Å |
| 441 | Q | 91.9 | Very high | 91 | Very high | 88 Ų | 88 | 38.4 Ų | 38.4 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 176.2 | 179.8 | 179.5 | -31.6 | 0 | 0 | 112.2 | D405 S439 T445 | D405-Q441 PolarHBondContact OD1-NE2 2.97Å; S439-Q441 PolarHBondContact O-N 2.72Å; Q441-T445 WeakPolarHBondContact O-CB 3.05Å; Q441-T445 PolarHBondContact O-N 3.49Å; Q441-T445 VanDerWaalsContact O-N 3.08Å; Q441-T445 PolarHBondContact O-OG1 3.15Å |
| 442 | V | 93 | Very high | 91 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.9 | -45.8 | 177.1 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | P404 R407 A408 I411 E438 S439 L444 T445 L446 | P404-V442 HydrophobicContact CB-CG2 3.84Å; P404-V442 VanDerWaalsContact O-CG2 3.26Å; P404-V442 WeakPolarHBondContact O-CG2 3.38Å; R407-V442 HydrophobicContact CB-CG2 4.35Å; A408-V442 HydrophobicContact CB-CG2 4.22Å; I411-V442 HydrophobicContact CD1-CG1 3.68Å; E438-V442 HydrophobicContact CB-CB 4.18Å; E438-V442 HydrophobicContact CB-CG1 4.04Å; E438-V442 HydrophobicContact CG-CG1 4.02Å; S439-V442 WeakPolarHBondContact O-CB 3.21Å; S439-V442 PolarHBondContact O-N 3.34Å; S439-V442 WeakPolarHBondContact OG-CG2 3.46Å; S439-V442 PolarHBondContact OG-N 2.79Å; V442-L444 PolarHBondContact O-N 2.78Å; V442-T445 PolarHBondContact O-N 2.96Å; V442-T445 VanDerWaalsContact O-N 3.15Å; V442-L446 WeakPolarHBondContact O-CB 3.43Å; V442-L446 PolarHBondContact O-N 3.22Å |
| 443 | Q | 93 | Very high | 91.1 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.5 | -47.3 | 176.4 | -67.4 | 168.9 | -20.2 | 0 | 0 | 112.4 | F435 E438 S439 T440 T445 L446 L447 L481 | F435-Q443 HydrophobicContact CD2-CB 4.42Å; F435-Q443 HydrophobicContact CD2-CG 4.12Å; F435-Q443 HydrophobicContact CE1-CG 4.43Å; F435-Q443 HydrophobicContact CE2-CB 3.75Å; F435-Q443 HydrophobicContact CE2-CG 3.87Å; F435-Q443 HydrophobicContact CZ-CB 3.97Å; F435-Q443 HydrophobicContact CZ-CG 4.04Å; F435-Q443 WeakPolarHBondContact O-CG 3.47Å; F435-Q443 PolarHBondContact O-NE2 2.82Å; E438-Q443 HydrophobicContact CB-CG 4.3Å; E438-Q443 PolarHBondContact O-NE2 3.21Å; S439-Q443 WeakPolarHBondContact O-CG 3.3Å; S439-Q443 PolarHBondContact O-N 3.16Å; T440-Q443 PolarHBondContact O-N 3.05Å; Q443-T445 VanDerWaalsContact C-N 3.33Å; Q443-T445 PolarHBondContact O-N 3.4Å; Q443-L446 PolarHBondContact O-N 3.28Å; Q443-L447 WeakPolarHBondContact O-CB 3.42Å; Q443-L447 PolarHBondContact O-N 2.89Å; Q443-L481 HydrophobicContact CB-CD1 4.32Å; Q443-L481 HydrophobicContact CB-CD2 3.67Å; Q443-L481 HydrophobicContact CG-CD2 4.34Å; Q443-L481 VanDerWaalsContact OE1-CD2 3.24Å |
| 444 | L | 92.4 | Very high | 91.2 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 176.7 | -75.6 | 166.6 | 0 | 0 | 0 | 112.3 | T440 V442 T448 L481 R484 | T440-L444 WeakPolarHBondContact O-CB 3.22Å; T440-L444 VanDerWaalsContact O-CG 3.26Å; T440-L444 WeakPolarHBondContact O-CG 3.48Å; T440-L444 PolarHBondContact O-N 3.45Å; V442-L444 PolarHBondContact O-N 2.78Å; L444-T448 WeakPolarHBondContact O-CB 3.31Å; L444-T448 PolarHBondContact O-N 2.94Å; L444-T448 VanDerWaalsContact O-N 3.08Å; L444-T448 PolarHBondContact O-OG1 3.14Å; L444-L481 HydrophobicContact CD2-CB 4.17Å; L444-L481 HydrophobicContact CD2-CD1 3.61Å; L444-L481 HydrophobicContact CD2-CG 4.49Å; L444-L481 HydrophobicContact CG-CD1 3.96Å; L444-R484 HydrophobicContact CD2-CB 4.49Å |
| 445 | T | 93.4 | Very high | 91.2 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 19% | 0.19 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.2 | -39.7 | 179.6 | -53.4 | 0 | 0 | 0 | 0 | 111 | A408 I411 W412 Q441 V442 Q443 T448 A449 | A408-T445 HydrophobicContact CB-CG2 4.42Å; A408-T445 WeakPolarHBondContact O-CG2 3.39Å; I411-T445 HydrophobicContact CB-CG2 4.35Å; I411-T445 HydrophobicContact CG2-CG2 4.07Å; W412-T445 HydrophobicContact CB-CG2 4.1Å; Q441-T445 WeakPolarHBondContact O-CB 3.05Å; Q441-T445 PolarHBondContact O-N 3.49Å; Q441-T445 VanDerWaalsContact O-N 3.08Å; Q441-T445 PolarHBondContact O-OG1 3.15Å; V442-T445 PolarHBondContact O-N 2.96Å; V442-T445 VanDerWaalsContact O-N 3.15Å; Q443-T445 VanDerWaalsContact C-N 3.33Å; Q443-T445 PolarHBondContact O-N 3.4Å; T445-T448 PolarHBondContact O-N 3Å; T445-A449 WeakPolarHBondContact O-CB 3.22Å; T445-A449 PolarHBondContact O-N 3.01Å |
| 446 | L | 93.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -47.3 | 175.7 | -175.8 | 60 | 0 | 0 | 0 | 112 | I411 L428 F431 L432 F435 V442 Q443 T448 A449 I450 | I411-L446 HydrophobicContact CD1-CB 4.37Å; I411-L446 HydrophobicContact CD1-CD1 4.38Å; I411-L446 HydrophobicContact CG2-CB 4.22Å; I411-L446 HydrophobicContact CG2-CD1 4.03Å; L428-L446 HydrophobicContact CB-CD1 4.49Å; L428-L446 HydrophobicContact CD2-CD1 3.88Å; F431-L446 HydrophobicContact CB-CD1 4Å; F431-L446 HydrophobicContact CB-CD2 4.11Å; L432-L446 HydrophobicContact CB-CD2 4.47Å; L432-L446 HydrophobicContact CD1-CD2 4.21Å; F435-L446 HydrophobicContact CD2-CD2 4.13Å; V442-L446 WeakPolarHBondContact O-CB 3.43Å; V442-L446 PolarHBondContact O-N 3.22Å; Q443-L446 PolarHBondContact O-N 3.28Å; L446-T448 VanDerWaalsContact C-N 3.28Å; L446-T448 PolarHBondContact O-N 3.37Å; L446-A449 PolarHBondContact O-N 2.79Å; L446-A449 VanDerWaalsContact O-N 3.14Å; L446-I450 HydrophobicContact CD1-CD1 3.86Å; L446-I450 HydrophobicContact CD1-CG1 4.16Å; L446-I450 HydrophobicContact CG-CD1 3.89Å; L446-I450 WeakPolarHBondContact O-CG1 3.48Å; L446-I450 PolarHBondContact O-N 3.06Å |
| 447 | L | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.7 | -48.1 | 172.5 | 175 | 62.7 | 0 | 0 | 0 | 111 | Q443 A449 V451 V468 L469 A472 L481 R484 Y488 | Q443-L447 WeakPolarHBondContact O-CB 3.42Å; Q443-L447 PolarHBondContact O-N 2.89Å; L447-A449 PolarHBondContact O-N 2.76Å; L447-V451 HydrophobicContact CD1-CG2 4.47Å; L447-V451 VanDerWaalsContact O-CG2 3.23Å; L447-V451 WeakPolarHBondContact O-CG2 3.28Å; L447-V451 PolarHBondContact O-N 3.41Å; L447-V451 VanDerWaalsContact O-N 3.07Å; L447-V468 HydrophobicContact CB-CG2 4.35Å; L447-V468 HydrophobicContact CD1-CG1 3.99Å; L447-V468 HydrophobicContact CD1-CG2 4.09Å; L447-L469 HydrophobicContact CD1-CD2 3.82Å; L447-A472 HydrophobicContact CD2-CB 4.47Å; L447-L481 HydrophobicContact CD2-CD1 3.96Å; L447-R484 HydrophobicContact CD2-CB 4.45Å; L447-R484 HydrophobicContact CD2-CG 4.42Å; L447-Y488 HydrophobicContact CD1-CD2 4.19Å; L447-Y488 HydrophobicContact CD2-CD2 3.86Å; L447-Y488 HydrophobicContact CD2-CE2 4.14Å; L447-Y488 HydrophobicContact CG-CD2 3.77Å; L447-Y488 HydrophobicContact CG-CE2 3.99Å |
| 448 | T | 92.4 | Very high | 90.6 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 10% | 0.104 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 179.2 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | L444 T445 L446 K452 Y488 | L444-T448 WeakPolarHBondContact O-CB 3.31Å; L444-T448 PolarHBondContact O-N 2.94Å; L444-T448 VanDerWaalsContact O-N 3.08Å; L444-T448 PolarHBondContact O-OG1 3.14Å; T445-T448 PolarHBondContact O-N 3Å; L446-T448 VanDerWaalsContact C-N 3.28Å; L446-T448 PolarHBondContact O-N 3.37Å; T448-K452 WeakPolarHBondContact O-CG 3.5Å; T448-K452 PolarHBondContact O-N 3.39Å; T448-Y488 PolarHBondContact OG1-OH 3.2Å |
| 449 | A | 92.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.5 | -43.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I411 L428 T445 L446 L447 K452 L453 | I411-A449 HydrophobicContact CG2-CB 3.56Å; L428-A449 HydrophobicContact CD1-CB 4.23Å; L428-A449 HydrophobicContact CD2-CB 4.39Å; T445-A449 WeakPolarHBondContact O-CB 3.22Å; T445-A449 PolarHBondContact O-N 3.01Å; L446-A449 PolarHBondContact O-N 2.79Å; L446-A449 VanDerWaalsContact O-N 3.14Å; L447-A449 PolarHBondContact O-N 2.76Å; A449-K452 WeakPolarHBondContact O-CB 3.26Å; A449-K452 PolarHBondContact O-N 3.29Å; A449-L453 WeakPolarHBondContact O-CB 3.48Å; A449-L453 PolarHBondContact O-N 2.91Å |
| 450 | I | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 176.4 | -67.4 | 170.8 | 0 | 0 | 0 | 110.6 | L428 L432 L446 K452 L453 F454 L464 V465 V468 | L428-I450 HydrophobicContact CB-CG1 4.29Å; L428-I450 HydrophobicContact CD1-CG1 3.92Å; L432-I450 HydrophobicContact CD1-CD1 4.12Å; L432-I450 HydrophobicContact CD2-CD1 4.32Å; L446-I450 HydrophobicContact CD1-CD1 3.86Å; L446-I450 HydrophobicContact CD1-CG1 4.16Å; L446-I450 HydrophobicContact CG-CD1 3.89Å; L446-I450 WeakPolarHBondContact O-CG1 3.48Å; L446-I450 PolarHBondContact O-N 3.06Å; I450-K452 PolarHBondContact O-N 3.24Å; I450-L453 WeakPolarHBondContact O-CB 3.14Å; I450-L453 PolarHBondContact O-N 3.49Å; I450-F454 WeakPolarHBondContact O-CB 3.39Å; I450-F454 PolarHBondContact O-N 3.23Å; I450-L464 HydrophobicContact CG2-CB 4.24Å; I450-V465 HydrophobicContact CG2-CB 4.37Å; I450-V465 HydrophobicContact CG2-CG2 3.68Å; I450-V468 HydrophobicContact CB-CG1 4.15Å; I450-V468 HydrophobicContact CD1-CB 3.84Å; I450-V468 HydrophobicContact CD1-CG1 4.05Å; I450-V468 HydrophobicContact CD1-CG2 3.96Å; I450-V468 HydrophobicContact CG2-CG1 3.77Å |
| 451 | V | 91 | Very high | 89 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 174 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | L447 F454 L455 Y488 L492 V503 | L447-V451 HydrophobicContact CD1-CG2 4.47Å; L447-V451 VanDerWaalsContact O-CG2 3.23Å; L447-V451 WeakPolarHBondContact O-CG2 3.28Å; L447-V451 PolarHBondContact O-N 3.41Å; L447-V451 VanDerWaalsContact O-N 3.07Å; V451-F454 PolarHBondContact O-N 3.31Å; V451-L455 HydrophobicContact CG1-CD1 4.18Å; V451-L455 WeakPolarHBondContact O-CG 3.44Å; V451-L455 PolarHBondContact O-N 3.32Å; V451-Y488 HydrophobicContact CB-CD1 4.43Å; V451-Y488 HydrophobicContact CG1-CD1 3.83Å; V451-Y488 HydrophobicContact CG1-CE1 4.02Å; V451-Y488 HydrophobicContact CG1-CG 4.39Å; V451-Y488 HydrophobicContact CG2-CD1 4.12Å; V451-Y488 HydrophobicContact CG2-CD2 4.02Å; V451-Y488 HydrophobicContact CG2-CE2 4.49Å; V451-Y488 HydrophobicContact CG2-CG 3.84Å; V451-L492 HydrophobicContact CG1-CD1 4.32Å; V451-L492 HydrophobicContact CG1-CD2 4.46Å; V451-L492 HydrophobicContact CG2-CD1 4.34Å; V451-V503 HydrophobicContact CG1-CG1 4.47Å |
| 452 | K | 90.1 | Very high | 88.7 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 173.9 | -73.1 | 173.7 | -169.9 | 168.4 | 0 | 111.9 | E416 T448 A449 I450 F454 L455 K456 V503 L504 | E416-K452 WeakPolarHBondContact OE1-CE 3.41Å; E416-K452 IonicContact OE1-NZ 3.52Å; E416-K452 PolarHBondContact OE1-NZ 3.49Å; T448-K452 WeakPolarHBondContact O-CG 3.5Å; T448-K452 PolarHBondContact O-N 3.39Å; A449-K452 WeakPolarHBondContact O-CB 3.26Å; A449-K452 PolarHBondContact O-N 3.29Å; I450-K452 PolarHBondContact O-N 3.24Å; K452-F454 VanDerWaalsContact C-N 3.25Å; K452-F454 PolarHBondContact O-N 2.86Å; K452-L455 PolarHBondContact O-N 2.9Å; K452-K456 WeakPolarHBondContact O-CB 3.33Å; K452-K456 WeakPolarHBondContact O-CD 3.36Å; K452-K456 VanDerWaalsContact O-CG 3.25Å; K452-K456 WeakPolarHBondContact O-CG 3.12Å; K452-K456 PolarHBondContact O-N 3.45Å; K452-K456 VanDerWaalsContact O-N 3.15Å; K452-V503 HydrophobicContact CG-CG1 3.97Å; K452-L504 HydrophobicContact CB-CD2 4.35Å; K452-L504 HydrophobicContact CG-CD2 4.1Å |
| 453 | L | 90.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -42.1 | 176.9 | 173.6 | 61.9 | 0 | 0 | 0 | 110.2 | A418 A424 D425 L428 A449 I450 K456 K457 T461 | A418-L453 HydrophobicContact CB-CB 4.45Å; A418-L453 HydrophobicContact CB-CD1 3.78Å; A424-L453 HydrophobicContact CB-CD1 4.28Å; D425-L453 HydrophobicContact CB-CD2 4.43Å; L428-L453 HydrophobicContact CD1-CB 4.29Å; L428-L453 HydrophobicContact CD1-CD2 3.78Å; A449-L453 WeakPolarHBondContact O-CB 3.48Å; A449-L453 PolarHBondContact O-N 2.91Å; I450-L453 WeakPolarHBondContact O-CB 3.14Å; I450-L453 PolarHBondContact O-N 3.49Å; L453-K456 PolarHBondContact O-N 3.32Å; L453-K457 HydrophobicContact CD1-CB 4.34Å; L453-K457 HydrophobicContact CD1-CD 4.17Å; L453-K457 PolarHBondContact O-N 3.34Å; L453-T461 HydrophobicContact CD1-CG2 4.09Å; L453-T461 HydrophobicContact CD2-CG2 3.75Å; L453-T461 HydrophobicContact CG-CG2 3.57Å |
| 454 | F | 90.4 | Very high | 88.3 | Confident | 35 Ų | 35 | 38.7 Ų | 38.7 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 176.4 | 178 | -106.6 | 0 | 0 | 0 | 114.7 | I450 V451 K452 K456 K457 P458 T461 Q462 V465 L492 | I450-F454 WeakPolarHBondContact O-CB 3.39Å; I450-F454 PolarHBondContact O-N 3.23Å; V451-F454 PolarHBondContact O-N 3.31Å; K452-F454 VanDerWaalsContact C-N 3.25Å; K452-F454 PolarHBondContact O-N 2.86Å; F454-K456 PolarHBondContact O-N 2.99Å; F454-K457 CarbonylContact O-C 3.6Å; F454-P458 HydrophobicContact CE2-CB 4.29Å; F454-P458 VanDerWaalsContact O-CA 3.31Å; F454-P458 WeakPolarHBondContact O-CA 3.31Å; F454-P458 WeakPolarHBondContact O-CB 3.43Å; F454-T461 WeakPolarHBondContact CA-OG1 3.25Å; F454-T461 WeakPolarHBondContact CD2-OG1 3.33Å; F454-Q462 HydrophobicContact CE2-CG 3.72Å; F454-V465 HydrophobicContact CB-CG2 3.33Å; F454-V465 HydrophobicContact CD1-CG2 4.36Å; F454-V465 HydrophobicContact CD2-CG2 3.82Å; F454-V465 HydrophobicContact CG-CG2 3.58Å; F454-L492 HydrophobicContact CD1-CD1 4.06Å; F454-L492 HydrophobicContact CD1-CD2 3.92Å; F454-L492 HydrophobicContact CE1-CD1 4.3Å; F454-L492 HydrophobicContact CE1-CD2 4.03Å |
| 455 | L | 87.6 | Confident | 88.2 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -20.9 | 176.1 | -69.6 | 169.5 | 0 | 0 | 0 | 112.9 | V451 K452 L492 A499 K500 V503 L504 | V451-L455 HydrophobicContact CG1-CD1 4.18Å; V451-L455 WeakPolarHBondContact O-CG 3.44Å; V451-L455 PolarHBondContact O-N 3.32Å; K452-L455 PolarHBondContact O-N 2.9Å; L455-L492 HydrophobicContact CD2-CD2 3.8Å; L455-L492 HydrophobicContact CG-CD2 4.26Å; L455-A499 HydrophobicContact CD2-CB 3.95Å; L455-K500 HydrophobicContact CD2-CB 4.28Å; L455-V503 HydrophobicContact CD1-CB 3.66Å; L455-V503 HydrophobicContact CD1-CG1 3.85Å; L455-V503 HydrophobicContact CD1-CG2 4.14Å; L455-L504 HydrophobicContact CB-CD1 4.29Å |
| 456 | K | 86.1 | Confident | 88 | Confident | 36 Ų | 36 | 43.2 Ų | 43.2 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -94.7 | -46.9 | 179.5 | -70.3 | 170.3 | 168.1 | 174.2 | 0 | 112.7 | G415 E416 A418 E419 K452 L453 F454 L504 | G415-K456 PolarHBondContact O-NZ 3.04Å; E416-K456 PolarHBondContact O-NZ 3.37Å; A418-K456 HydrophobicContact CB-CD 4.03Å; E419-K456 HydrophobicContact CG-CB 4.07Å; E419-K456 HydrophobicContact CG-CD 3.62Å; E419-K456 HydrophobicContact CG-CG 3.89Å; E419-K456 WeakPolarHBondContact OE1-CE 3.46Å; E419-K456 WeakPolarHBondContact OE1-CG 3.09Å; K452-K456 WeakPolarHBondContact O-CB 3.33Å; K452-K456 WeakPolarHBondContact O-CD 3.36Å; K452-K456 VanDerWaalsContact O-CG 3.25Å; K452-K456 WeakPolarHBondContact O-CG 3.12Å; K452-K456 PolarHBondContact O-N 3.45Å; K452-K456 VanDerWaalsContact O-N 3.15Å; L453-K456 PolarHBondContact O-N 3.32Å; F454-K456 PolarHBondContact O-N 2.99Å; K456-L504 HydrophobicContact CG-CD1 4.19Å |
| 457 | K | 86.1 | Confident | 87.9 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 19% | 0.191 | 24% | 0.237 | C | C | . | . | trans | -125.1 | 71.8 | -177.5 | -67.9 | -176.3 | 173.6 | 177.2 | 0 | 110.7 | A418 I421 L453 F454 S459 T461 | A418-K457 VanDerWaalsContact O-CE 3.31Å; A418-K457 WeakPolarHBondContact O-CE 3.49Å; A418-K457 PolarHBondContact O-NZ 3.39Å; I421-K457 PolarHBondContact O-NZ 3.49Å; I421-K457 VanDerWaalsContact O-NZ 3.1Å; L453-K457 HydrophobicContact CD1-CB 4.34Å; L453-K457 HydrophobicContact CD1-CD 4.17Å; L453-K457 PolarHBondContact O-N 3.34Å; F454-K457 CarbonylContact O-C 3.6Å; K457-S459 VanDerWaalsContact C-N 3.25Å; K457-S459 PolarHBondContact O-N 3.26Å; K457-T461 HydrophobicContact CB-CG2 4.39Å; K457-T461 WeakPolarHBondContact O-CG2 3.23Å; K457-T461 PolarHBondContact O-OG1 2.84Å | ||
| 458 | P | 82.3 | Confident | 87.8 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.3 | -172.3 | 28.3 | -36.1 | 0 | 0 | 0 | 114.9 | F454 Q462 | F454-P458 HydrophobicContact CE2-CB 4.29Å; F454-P458 VanDerWaalsContact O-CA 3.31Å; F454-P458 WeakPolarHBondContact O-CA 3.31Å; F454-P458 WeakPolarHBondContact O-CB 3.43Å; P458-Q462 PolarHBondContact O-NE2 3.49Å |
| 459 | S | 78.6 | Confident | 87.8 | Confident | 98 Ų | 98 | 46.8 Ų | 46.8 | 69% | 0.685 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -31.6 | -175.7 | 44.3 | 0 | 0 | 0 | 0 | 114.2 | K457 | K457-S459 VanDerWaalsContact C-N 3.25Å; K457-S459 PolarHBondContact O-N 3.26Å |
| 460 | E | 77.6 | Confident | 87.7 | Confident | 130 Ų | 130 | 48.8 Ų | 48.8 | 61% | 0.607 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -6 | -171.4 | -72.2 | 167.5 | 168.5 | 0 | 0 | 113 | ||
| 461 | T | 81.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | trans | -120.5 | 8.1 | -162.8 | 59 | 0 | 0 | 0 | 0 | 113.8 | L453 F454 K457 E463 L464 V465 | L453-T461 HydrophobicContact CD1-CG2 4.09Å; L453-T461 HydrophobicContact CD2-CG2 3.75Å; L453-T461 HydrophobicContact CG-CG2 3.57Å; F454-T461 WeakPolarHBondContact CA-OG1 3.25Å; F454-T461 WeakPolarHBondContact CD2-OG1 3.33Å; K457-T461 HydrophobicContact CB-CG2 4.39Å; K457-T461 WeakPolarHBondContact O-CG2 3.23Å; K457-T461 PolarHBondContact O-OG1 2.84Å; T461-E463 PolarHBondContact O-N 2.84Å; T461-L464 PolarHBondContact O-N 3.08Å; T461-V465 WeakPolarHBondContact O-CG2 3.37Å; T461-V465 PolarHBondContact O-N 3.18Å; T461-V465 VanDerWaalsContact O-N 3.13Å | ||
| 462 | Q | 85.2 | Confident | 87.6 | Confident | 126 Ų | 126 | 50 Ų | 50 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 179.4 | -77.4 | 176.1 | 19.9 | 0 | 0 | 112.4 | F454 P458 V465 Q466 | F454-Q462 HydrophobicContact CE2-CG 3.72Å; P458-Q462 PolarHBondContact O-NE2 3.49Å; Q462-V465 PolarHBondContact O-N 2.91Å; Q462-Q466 WeakPolarHBondContact O-CB 3.34Å; Q462-Q466 PolarHBondContact O-N 3.33Å |
| 463 | E | 88.4 | Confident | 87.5 | Confident | 162 Ų | 162 | 50.1 Ų | 50.1 | 76% | 0.757 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | -179.7 | -62.2 | -165.6 | 165.9 | 0 | 0 | 111.2 | T461 V465 Q466 Q467 | T461-E463 PolarHBondContact O-N 2.84Å; E463-V465 PolarHBondContact O-N 3.35Å; E463-Q466 PolarHBondContact O-N 2.96Å; E463-Q467 WeakPolarHBondContact O-CB 3.43Å; E463-Q467 PolarHBondContact O-N 3.33Å |
| 464 | L | 88.3 | Confident | 87.4 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.6 | -67.4 | 174.1 | 0 | 0 | 0 | 112.7 | D425 E429 L432 I450 T461 Q467 V468 | D425-L464 HydrophobicContact CB-CD1 4.11Å; E429-L464 HydrophobicContact CB-CD2 3.84Å; E429-L464 HydrophobicContact CG-CD2 3.87Å; L432-L464 HydrophobicContact CD2-CD2 4.19Å; I450-L464 HydrophobicContact CG2-CB 4.24Å; T461-L464 PolarHBondContact O-N 3.08Å; L464-Q467 PolarHBondContact O-N 2.93Å; L464-V468 WeakPolarHBondContact O-CG1 3.46Å; L464-V468 PolarHBondContact O-N 3.39Å |
| 465 | V | 90.3 | Very high | 87.1 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 177 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | I450 F454 T461 Q462 E463 Q467 V468 L469 L492 | I450-V465 HydrophobicContact CG2-CB 4.37Å; I450-V465 HydrophobicContact CG2-CG2 3.68Å; F454-V465 HydrophobicContact CB-CG2 3.33Å; F454-V465 HydrophobicContact CD1-CG2 4.36Å; F454-V465 HydrophobicContact CD2-CG2 3.82Å; F454-V465 HydrophobicContact CG-CG2 3.58Å; T461-V465 WeakPolarHBondContact O-CG2 3.37Å; T461-V465 PolarHBondContact O-N 3.18Å; T461-V465 VanDerWaalsContact O-N 3.13Å; Q462-V465 PolarHBondContact O-N 2.91Å; E463-V465 PolarHBondContact O-N 3.35Å; V465-Q467 VanDerWaalsContact C-N 3.32Å; V465-Q467 PolarHBondContact O-N 3Å; V465-V468 WeakPolarHBondContact O-CG1 3.39Å; V465-L469 HydrophobicContact CG1-CD1 3.63Å; V465-L469 HydrophobicContact CG1-CG 4.22Å; V465-L469 VanDerWaalsContact O-CB 3.29Å; V465-L469 WeakPolarHBondContact O-CB 3.38Å; V465-L469 WeakPolarHBondContact O-CG 3.22Å; V465-L469 PolarHBondContact O-N 3.24Å; V465-L492 HydrophobicContact CG1-CD1 3.99Å |
| 466 | Q | 90 | Very high | 86.9 | Confident | 144 Ų | 144 | 59.8 Ų | 59.8 | 67% | 0.673 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 179.3 | -175.1 | 175.2 | 1.3 | 0 | 0 | 110.8 | Q462 E463 L469 S470 | Q462-Q466 WeakPolarHBondContact O-CB 3.34Å; Q462-Q466 PolarHBondContact O-N 3.33Å; E463-Q466 PolarHBondContact O-N 2.96Å; Q466-L469 PolarHBondContact O-N 3.14Å; Q466-S470 PolarHBondContact O-N 3.25Å; Q466-S470 PolarHBondContact O-OG 2.7Å |
| 467 | Q | 90.9 | Very high | 86.9 | Confident | 80 Ų | 80 | 66 Ų | 66 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 178.5 | -175.2 | 179.1 | -0.5 | 0 | 0 | 112.1 | L432 E463 L464 V465 L469 S470 L471 | L432-Q467 HydrophobicContact CD2-CB 4.11Å; L432-Q467 HydrophobicContact CD2-CG 3.89Å; E463-Q467 WeakPolarHBondContact O-CB 3.43Å; E463-Q467 PolarHBondContact O-N 3.33Å; L464-Q467 PolarHBondContact O-N 2.93Å; V465-Q467 VanDerWaalsContact C-N 3.32Å; V465-Q467 PolarHBondContact O-N 3Å; Q467-L469 VanDerWaalsContact C-N 3.31Å; Q467-L469 PolarHBondContact O-N 3.32Å; Q467-S470 WeakPolarHBondContact CA-OG 3.39Å; Q467-S470 PolarHBondContact O-N 3.27Å; Q467-S470 PolarHBondContact O-OG 3.05Å; Q467-L471 HydrophobicContact CG-CD1 3.94Å; Q467-L471 WeakPolarHBondContact O-CB 3.27Å; Q467-L471 VanDerWaalsContact O-CG 3.23Å; Q467-L471 WeakPolarHBondContact O-CG 3.3Å; Q467-L471 PolarHBondContact O-N 3.41Å |
| 468 | V | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 179.1 | 73.4 | 0 | 0 | 0 | 0 | 112 | L432 F435 L447 I450 L464 V465 A472 | L432-V468 HydrophobicContact CD1-CB 3.69Å; L432-V468 HydrophobicContact CD1-CG2 3.69Å; L432-V468 HydrophobicContact CD2-CB 4.45Å; F435-V468 HydrophobicContact CE2-CG2 4.17Å; L447-V468 HydrophobicContact CB-CG2 4.35Å; L447-V468 HydrophobicContact CD1-CG1 3.99Å; L447-V468 HydrophobicContact CD1-CG2 4.09Å; I450-V468 HydrophobicContact CB-CG1 4.15Å; I450-V468 HydrophobicContact CD1-CB 3.84Å; I450-V468 HydrophobicContact CD1-CG1 4.05Å; I450-V468 HydrophobicContact CD1-CG2 3.96Å; I450-V468 HydrophobicContact CG2-CG1 3.77Å; L464-V468 WeakPolarHBondContact O-CG1 3.46Å; L464-V468 PolarHBondContact O-N 3.39Å; V465-V468 WeakPolarHBondContact O-CG1 3.39Å; V468-A472 WeakPolarHBondContact O-CB 3.45Å; V468-A472 PolarHBondContact O-N 3.06Å |
| 469 | L | 91.8 | Very high | 87.4 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70 | -37.7 | 176.5 | -72.3 | 174.3 | 0 | 0 | 0 | 112 | L447 V465 Q466 Q467 T473 G485 W489 | L447-L469 HydrophobicContact CD1-CD2 3.82Å; V465-L469 HydrophobicContact CG1-CD1 3.63Å; V465-L469 HydrophobicContact CG1-CG 4.22Å; V465-L469 VanDerWaalsContact O-CB 3.29Å; V465-L469 WeakPolarHBondContact O-CB 3.38Å; V465-L469 WeakPolarHBondContact O-CG 3.22Å; V465-L469 PolarHBondContact O-N 3.24Å; Q466-L469 PolarHBondContact O-N 3.14Å; Q467-L469 VanDerWaalsContact C-N 3.31Å; Q467-L469 PolarHBondContact O-N 3.32Å; L469-T473 VanDerWaalsContact O-CB 3.31Å; L469-T473 WeakPolarHBondContact O-CB 3.49Å; L469-T473 VanDerWaalsContact O-CG2 3.27Å; L469-T473 WeakPolarHBondContact O-CG2 3.21Å; L469-T473 PolarHBondContact O-N 3.35Å; L469-T473 PolarHBondContact O-OG1 3.22Å; L469-G485 WeakPolarHBondContact CD2-O 3.45Å; L469-W489 HydrophobicContact CD1-CB 4.13Å; L469-W489 HydrophobicContact CD2-CB 4.44Å |
| 470 | S | 91.3 | Very high | 88 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 174.5 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | Q466 Q467 A472 T473 Q474 | Q466-S470 PolarHBondContact O-N 3.25Å; Q466-S470 PolarHBondContact O-OG 2.7Å; Q467-S470 WeakPolarHBondContact CA-OG 3.39Å; Q467-S470 PolarHBondContact O-N 3.27Å; Q467-S470 PolarHBondContact O-OG 3.05Å; S470-A472 VanDerWaalsContact C-N 3.34Å; S470-A472 PolarHBondContact O-N 3.37Å; S470-T473 PolarHBondContact O-N 3.48Å; S470-Q474 WeakPolarHBondContact O-CB 3.35Å; S470-Q474 PolarHBondContact O-N 3.07Å |
| 471 | L | 89.8 | Confident | 88.6 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.2 | -67.3 | 169 | 0 | 0 | 0 | 111.2 | L432 F435 Q467 T473 D475 S476 | L432-L471 HydrophobicContact CD1-CD1 3.97Å; L432-L471 HydrophobicContact CG-CD1 4.28Å; F435-L471 HydrophobicContact CB-CD1 4.32Å; F435-L471 HydrophobicContact CD1-CB 3.88Å; F435-L471 HydrophobicContact CD1-CD1 4.48Å; F435-L471 HydrophobicContact CE1-CB 3.92Å; F435-L471 HydrophobicContact CG-CB 4.49Å; F435-L471 HydrophobicContact CG-CD1 4.42Å; Q467-L471 HydrophobicContact CG-CD1 3.94Å; Q467-L471 WeakPolarHBondContact O-CB 3.27Å; Q467-L471 VanDerWaalsContact O-CG 3.23Å; Q467-L471 WeakPolarHBondContact O-CG 3.3Å; Q467-L471 PolarHBondContact O-N 3.41Å; L471-T473 PolarHBondContact O-N 3.05Å; L471-D475 PolarHBondContact O-N 3.06Å; L471-S476 PolarHBondContact O-N 3.15Å |
| 472 | A | 90.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.4 | -29.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F435 L447 V468 S470 S476 L481 R482 | F435-A472 HydrophobicContact CZ-CB 4.19Å; L447-A472 HydrophobicContact CD2-CB 4.47Å; V468-A472 WeakPolarHBondContact O-CB 3.45Å; V468-A472 PolarHBondContact O-N 3.06Å; S470-A472 VanDerWaalsContact C-N 3.34Å; S470-A472 PolarHBondContact O-N 3.37Å; A472-S476 WeakPolarHBondContact O-CB 3.46Å; A472-L481 HydrophobicContact CB-CD1 4.41Å; A472-L481 HydrophobicContact CB-CG 4.36Å; A472-R482 WeakPolarHBondContact O-CA 3.46Å |
| 473 | T | 89 | Confident | 89.5 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -98.6 | -30 | -173.8 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | L469 S470 L471 R482 Y486 | L469-T473 VanDerWaalsContact O-CB 3.31Å; L469-T473 WeakPolarHBondContact O-CB 3.49Å; L469-T473 VanDerWaalsContact O-CG2 3.27Å; L469-T473 WeakPolarHBondContact O-CG2 3.21Å; L469-T473 PolarHBondContact O-N 3.35Å; L469-T473 PolarHBondContact O-OG1 3.22Å; S470-T473 PolarHBondContact O-N 3.48Å; L471-T473 PolarHBondContact O-N 3.05Å; T473-R482 PolarHBondContact O-NE 2.74Å; T473-R482 VanDerWaalsContact O-NE 3.13Å; T473-Y486 HydrophobicContact CG2-CD1 3.93Å; T473-Y486 HydrophobicContact CG2-CE1 3.93Å; T473-Y486 HydrophobicContact CG2-CG 4.26Å |
| 474 | Q | 88.1 | Confident | 89.6 | Confident | 153 Ų | 153 | 61.8 Ų | 61.8 | 72% | 0.715 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -102.2 | -38.9 | -176.2 | -59.4 | -168.9 | 0.5 | 0 | 0 | 112.4 | S470 | S470-Q474 WeakPolarHBondContact O-CB 3.35Å; S470-Q474 PolarHBondContact O-N 3.07Å |
| 475 | D | 83.7 | Confident | 89.8 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -106.6 | -1.3 | -169.4 | -54.6 | -46.1 | 0 | 0 | 0 | 113.1 | H436 L471 | H436-D475 VanDerWaalsContact CE1-CB 3.45Å; H436-D475 WeakPolarHBondContact CE1-CB 3.35Å; L471-D475 PolarHBondContact O-N 3.06Å |
| 476 | S | 84 | Confident | 89.8 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | trans | -95.2 | 130.9 | 178.5 | -167.9 | 0 | 0 | 0 | 0 | 113 | L471 A472 N478 L481 | L471-S476 PolarHBondContact O-N 3.15Å; A472-S476 WeakPolarHBondContact O-CB 3.46Å; S476-N478 PolarHBondContact OG-N 2.95Å; S476-L481 WeakPolarHBondContact OG-CD2 3.43Å | ||
| 477 | D | 85.1 | Confident | 89.9 | Confident | 165 Ų | 165 | 61.9 Ų | 61.9 | 88% | 0.882 | 31% | 0.312 | S | S | * | . | trans | -81.6 | -17 | 173.6 | -71.8 | -27.8 | 0 | 0 | 0 | 113.3 | P479 | D477-P479 WeakPolarHBondContact O-CD 3.49Š| ||
| 478 | N | 89.1 | Confident | 89.9 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | trans | -82.5 | 120.1 | -174.9 | -174.1 | -73.4 | 0 | 0 | 0 | 111.1 | T440 S476 D480 L481 R482 | T440-N478 HydrophobicContact CG2-CB 4.43Å; S476-N478 PolarHBondContact OG-N 2.95Å; N478-D480 VanDerWaalsContact C-N 3.34Å; N478-D480 PolarHBondContact O-N 3.34Å; N478-D480 WeakPolarHBondContact OD1-CB 3.14Å; N478-D480 PolarHBondContact OD1-N 2.95Å; N478-L481 HydrophobicContact CB-CB 4.06Å; N478-L481 PolarHBondContact O-N 3.36Å; N478-L481 PolarHBondContact OD1-N 3.49Å; N478-R482 WeakPolarHBondContact O-CB 3.29Å; N478-R482 PolarHBondContact O-N 3.45Å | ||
| 479 | P | 90.2 | Very high | 89.7 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 61% | 0.61 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.2 | -37.9 | -177.7 | -25.2 | 35.2 | 0 | 0 | 0 | 114.1 | D477 R482 D483 | D477-P479 WeakPolarHBondContact O-CD 3.49Å; P479-R482 PolarHBondContact O-N 2.89Å; P479-D483 WeakPolarHBondContact O-CB 3.49Å; P479-D483 PolarHBondContact O-N 3.14Å |
| 480 | D | 90.5 | Very high | 89.6 | Confident | 94 Ų | 94 | 73.1 Ų | 73.1 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.5 | -44.3 | -179.1 | -175.4 | 27.3 | 0 | 0 | 0 | 111.1 | N478 R482 D483 R484 | N478-D480 VanDerWaalsContact C-N 3.34Å; N478-D480 PolarHBondContact O-N 3.34Å; N478-D480 WeakPolarHBondContact OD1-CB 3.14Å; N478-D480 PolarHBondContact OD1-N 2.95Å; D480-R482 VanDerWaalsContact C-N 3.33Å; D480-R482 PolarHBondContact O-N 3.24Å; D480-D483 PolarHBondContact O-N 2.85Å; D480-R484 WeakPolarHBondContact O-CB 3.39Å; D480-R484 PolarHBondContact O-N 2.98Å |
| 481 | L | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.1 | -178 | 56.9 | 0 | 0 | 0 | 111.9 | F435 Q443 L444 L447 A472 S476 N478 G485 | F435-L481 HydrophobicContact CZ-CD2 4.02Å; Q443-L481 HydrophobicContact CB-CD1 4.32Å; Q443-L481 HydrophobicContact CB-CD2 3.67Å; Q443-L481 HydrophobicContact CG-CD2 4.34Å; Q443-L481 VanDerWaalsContact OE1-CD2 3.24Å; L444-L481 HydrophobicContact CD2-CB 4.17Å; L444-L481 HydrophobicContact CD2-CD1 3.61Å; L444-L481 HydrophobicContact CD2-CG 4.49Å; L444-L481 HydrophobicContact CG-CD1 3.96Å; L447-L481 HydrophobicContact CD2-CD1 3.96Å; A472-L481 HydrophobicContact CB-CD1 4.41Å; A472-L481 HydrophobicContact CB-CG 4.36Å; S476-L481 WeakPolarHBondContact OG-CD2 3.43Å; N478-L481 HydrophobicContact CB-CB 4.06Å; N478-L481 PolarHBondContact O-N 3.36Å; N478-L481 PolarHBondContact OD1-N 3.49Å; L481-G485 PolarHBondContact O-N 3.43Å |
| 482 | R | 92.4 | Very high | 89.4 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 178.3 | -176.6 | 173.1 | -174.1 | -149.3 | -6.7 | 112.4 | A472 T473 N478 P479 D480 G485 Y486 | A472-R482 WeakPolarHBondContact O-CA 3.46Å; T473-R482 PolarHBondContact O-NE 2.74Å; T473-R482 VanDerWaalsContact O-NE 3.13Å; N478-R482 WeakPolarHBondContact O-CB 3.29Å; N478-R482 PolarHBondContact O-N 3.45Å; P479-R482 PolarHBondContact O-N 2.89Å; D480-R482 VanDerWaalsContact C-N 3.33Å; D480-R482 PolarHBondContact O-N 3.24Å; R482-G485 PolarHBondContact O-N 3.08Å; R482-Y486 HydrophobicContact CG-CD2 4.1Å; R482-Y486 HydrophobicContact CG-CE2 3.7Å; R482-Y486 PolarHBondContact NH2-OH 3.5Å; R482-Y486 VanDerWaalsContact NH2-OH 3.14Å; R482-Y486 WeakPolarHBondContact O-CD2 3.39Å; R482-Y486 PolarHBondContact O-N 2.65Å |
| 483 | D | 92.3 | Very high | 89.2 | Confident | 96 Ų | 96 | 76.5 Ų | 76.5 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 178.7 | -85.9 | -2.9 | 0 | 0 | 0 | 111.3 | P479 D480 G485 Y486 I487 | P479-D483 WeakPolarHBondContact O-CB 3.49Å; P479-D483 PolarHBondContact O-N 3.14Å; D480-D483 PolarHBondContact O-N 2.85Å; D483-G485 VanDerWaalsContact C-N 3.31Å; D483-G485 PolarHBondContact O-N 2.8Å; D483-Y486 PolarHBondContact O-N 3.11Å; D483-Y486 VanDerWaalsContact O-N 3.17Å; D483-I487 VanDerWaalsContact O-CG1 3.28Å; D483-I487 WeakPolarHBondContact O-CG1 3.28Å; D483-I487 PolarHBondContact O-N 2.89Å |
| 484 | R | 91.3 | Very high | 89.1 | Confident | 94 Ų | 94 | 82 Ų | 82 | 36% | 0.355 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 174.1 | -162.1 | 172.3 | -167.8 | 142.2 | -0.1 | 112.1 | L444 L447 D480 I487 Y488 | L444-R484 HydrophobicContact CD2-CB 4.49Å; L447-R484 HydrophobicContact CD2-CB 4.45Å; L447-R484 HydrophobicContact CD2-CG 4.42Å; D480-R484 WeakPolarHBondContact O-CB 3.39Å; D480-R484 PolarHBondContact O-N 2.98Å; R484-I487 PolarHBondContact O-N 2.69Å; R484-Y488 HydrophobicContact CG-CD2 4.12Å; R484-Y488 HydrophobicContact CG-CE2 3.75Å; R484-Y488 VanDerWaalsContact O-CD2 3.27Å; R484-Y488 WeakPolarHBondContact O-CD2 3.48Å; R484-Y488 PolarHBondContact O-N 2.76Å |
| 485 | G | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L469 L481 R482 D483 I487 Y488 W489 | L469-G485 WeakPolarHBondContact CD2-O 3.45Å; L481-G485 PolarHBondContact O-N 3.43Å; R482-G485 PolarHBondContact O-N 3.08Å; D483-G485 VanDerWaalsContact C-N 3.31Å; D483-G485 PolarHBondContact O-N 2.8Å; G485-I487 PolarHBondContact O-N 2.82Å; G485-Y488 PolarHBondContact O-N 3.37Å; G485-W489 WeakPolarHBondContact O-CB 3.49Å; G485-W489 PolarHBondContact O-N 3.36Å |
| 486 | Y | 91.3 | Very high | 88.9 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 24% | 0.239 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 175.9 | -75.7 | -51.2 | 0 | 0 | 0 | 113.2 | T473 R482 D483 W489 R490 | T473-Y486 HydrophobicContact CG2-CD1 3.93Å; T473-Y486 HydrophobicContact CG2-CE1 3.93Å; T473-Y486 HydrophobicContact CG2-CG 4.26Å; R482-Y486 HydrophobicContact CG-CD2 4.1Å; R482-Y486 HydrophobicContact CG-CE2 3.7Å; R482-Y486 PolarHBondContact NH2-OH 3.5Å; R482-Y486 VanDerWaalsContact NH2-OH 3.14Å; R482-Y486 WeakPolarHBondContact O-CD2 3.39Å; R482-Y486 PolarHBondContact O-N 2.65Å; D483-Y486 PolarHBondContact O-N 3.11Å; D483-Y486 VanDerWaalsContact O-N 3.17Å; Y486-W489 HydrophobicContact CD1-CE3 4Å; Y486-W489 HydrophobicContact CD1-CZ3 4.43Å; Y486-W489 HydrophobicContact CE1-CE3 4.2Å; Y486-W489 HydrophobicContact CE1-CZ3 4.19Å; Y486-W489 PolarHBondContact O-N 3.01Å; Y486-R490 WeakPolarHBondContact O-CB 3.48Å; Y486-R490 VanDerWaalsContact O-CG 3.27Å; Y486-R490 WeakPolarHBondContact O-CG 3.33Å; Y486-R490 PolarHBondContact O-N 3.21Å |
| 487 | I | 91.6 | Very high | 88.9 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 54% | 0.544 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 175.7 | -69.2 | 164.5 | 0 | 0 | 0 | 109.7 | D483 R484 G485 W489 R490 L491 | D483-I487 VanDerWaalsContact O-CG1 3.28Å; D483-I487 WeakPolarHBondContact O-CG1 3.28Å; D483-I487 PolarHBondContact O-N 2.89Å; R484-I487 PolarHBondContact O-N 2.69Å; G485-I487 PolarHBondContact O-N 2.82Å; I487-W489 PolarHBondContact O-N 3.5Å; I487-R490 PolarHBondContact O-N 3.39Å; I487-L491 WeakPolarHBondContact O-CB 3.37Å; I487-L491 PolarHBondContact O-N 3.42Å |
| 488 | Y | 90.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 9% | 0.086 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.9 | -76.3 | -47.8 | 0 | 0 | 0 | 112.3 | L447 T448 V451 R484 G485 R490 L491 L492 V503 | L447-Y488 HydrophobicContact CD1-CD2 4.19Å; L447-Y488 HydrophobicContact CD2-CD2 3.86Å; L447-Y488 HydrophobicContact CD2-CE2 4.14Å; L447-Y488 HydrophobicContact CG-CD2 3.77Å; L447-Y488 HydrophobicContact CG-CE2 3.99Å; T448-Y488 PolarHBondContact OG1-OH 3.2Å; V451-Y488 HydrophobicContact CB-CD1 4.43Å; V451-Y488 HydrophobicContact CG1-CD1 3.83Å; V451-Y488 HydrophobicContact CG1-CE1 4.02Å; V451-Y488 HydrophobicContact CG1-CG 4.39Å; V451-Y488 HydrophobicContact CG2-CD1 4.12Å; V451-Y488 HydrophobicContact CG2-CD2 4.02Å; V451-Y488 HydrophobicContact CG2-CE2 4.49Å; V451-Y488 HydrophobicContact CG2-CG 3.84Å; R484-Y488 HydrophobicContact CG-CD2 4.12Å; R484-Y488 HydrophobicContact CG-CE2 3.75Å; R484-Y488 VanDerWaalsContact O-CD2 3.27Å; R484-Y488 WeakPolarHBondContact O-CD2 3.48Å; R484-Y488 PolarHBondContact O-N 2.76Å; G485-Y488 PolarHBondContact O-N 3.37Å; Y488-R490 PolarHBondContact O-N 3.29Å; Y488-L491 PolarHBondContact O-N 2.88Å; Y488-L492 WeakPolarHBondContact O-CB 3.16Å; Y488-L492 VanDerWaalsContact O-CG 3.24Å; Y488-L492 WeakPolarHBondContact O-CG 3.43Å; Y488-L492 PolarHBondContact O-N 3.16Å; Y488-V503 HydrophobicContact CE1-CG2 4.23Å |
| 489 | W | 88.6 | Confident | 88.6 | Confident | 136 Ų | 136 | 72.9 Ų | 72.9 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 177.5 | -177.3 | 16.8 | 0 | 0 | 0 | 111.9 | L469 G485 Y486 I487 S493 | L469-W489 HydrophobicContact CD1-CB 4.13Å; L469-W489 HydrophobicContact CD2-CB 4.44Å; G485-W489 WeakPolarHBondContact O-CB 3.49Å; G485-W489 PolarHBondContact O-N 3.36Å; Y486-W489 HydrophobicContact CD1-CE3 4Å; Y486-W489 HydrophobicContact CD1-CZ3 4.43Å; Y486-W489 HydrophobicContact CE1-CE3 4.2Å; Y486-W489 HydrophobicContact CE1-CZ3 4.19Å; Y486-W489 PolarHBondContact O-N 3.01Å; I487-W489 PolarHBondContact O-N 3.5Å; W489-S493 PolarHBondContact NE1-OG 3.41Å; W489-S493 VanDerWaalsContact O-CB 3.23Å; W489-S493 WeakPolarHBondContact O-CB 3.49Å; W489-S493 PolarHBondContact O-N 2.89Å; W489-S493 PolarHBondContact O-OG 3.14Å |
| 490 | R | 89.6 | Confident | 88.4 | Confident | 173 Ų | 173 | 73.5 Ų | 73.5 | 65% | 0.653 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 177.2 | -72.1 | 174.4 | -175.4 | 173.9 | 4.6 | 111.4 | Y486 I487 Y488 S493 T494 | Y486-R490 WeakPolarHBondContact O-CB 3.48Å; Y486-R490 VanDerWaalsContact O-CG 3.27Å; Y486-R490 WeakPolarHBondContact O-CG 3.33Å; Y486-R490 PolarHBondContact O-N 3.21Å; I487-R490 PolarHBondContact O-N 3.39Å; Y488-R490 PolarHBondContact O-N 3.29Å; R490-S493 PolarHBondContact O-N 3.37Å; R490-T494 WeakPolarHBondContact O-CB 3.23Å; R490-T494 PolarHBondContact O-N 3.49Å; R490-T494 PolarHBondContact O-OG1 3.43Å |
| 491 | L | 89.1 | Confident | 88.1 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.2 | -49.1 | -179.4 | -175.9 | 62.3 | 0 | 0 | 0 | 111.1 | I487 Y488 T494 D495 A499 V503 | I487-L491 WeakPolarHBondContact O-CB 3.37Å; I487-L491 PolarHBondContact O-N 3.42Å; Y488-L491 PolarHBondContact O-N 2.88Å; L491-T494 PolarHBondContact O-N 2.93Å; L491-D495 CarbonylContact O-C 2.98Å; L491-D495 PolarHBondContact O-N 3.43Å; L491-D495 VanDerWaalsContact O-N 3.12Å; L491-A499 HydrophobicContact CD1-CB 4.19Å; L491-A499 HydrophobicContact CD2-CB 4.02Å; L491-A499 HydrophobicContact CG-CB 3.63Å; L491-V503 HydrophobicContact CD2-CG2 4.05Å |
| 492 | L | 87.3 | Confident | 87.7 | Confident | 17 Ų | 17 | 80 Ų | 80 | 9% | 0.089 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.5 | -34.3 | 179.3 | -66.4 | 176.7 | 0 | 0 | 0 | 113 | V451 F454 L455 V465 Y488 P496 A499 | V451-L492 HydrophobicContact CG1-CD1 4.32Å; V451-L492 HydrophobicContact CG1-CD2 4.46Å; V451-L492 HydrophobicContact CG2-CD1 4.34Å; F454-L492 HydrophobicContact CD1-CD1 4.06Å; F454-L492 HydrophobicContact CD1-CD2 3.92Å; F454-L492 HydrophobicContact CE1-CD1 4.3Å; F454-L492 HydrophobicContact CE1-CD2 4.03Å; L455-L492 HydrophobicContact CD2-CD2 3.8Å; L455-L492 HydrophobicContact CG-CD2 4.26Å; V465-L492 HydrophobicContact CG1-CD1 3.99Å; Y488-L492 WeakPolarHBondContact O-CB 3.16Å; Y488-L492 VanDerWaalsContact O-CG 3.24Å; Y488-L492 WeakPolarHBondContact O-CG 3.43Å; Y488-L492 PolarHBondContact O-N 3.16Å; L492-P496 WeakPolarHBondContact O-CG 3.27Å; L492-A499 HydrophobicContact CD2-CB 4.05Å |
| 493 | S | 85.9 | Confident | 87.3 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -79.5 | -27 | 179.7 | -53.9 | 0 | 0 | 0 | 0 | 113.3 | W489 R490 | W489-S493 PolarHBondContact NE1-OG 3.41Å; W489-S493 VanDerWaalsContact O-CB 3.23Å; W489-S493 WeakPolarHBondContact O-CB 3.49Å; W489-S493 PolarHBondContact O-N 2.89Å; W489-S493 PolarHBondContact O-OG 3.14Å; R490-S493 PolarHBondContact O-N 3.37Å |
| 494 | T | 88.6 | Confident | 86.8 | Confident | 120 Ų | 120 | 73.3 Ų | 73.3 | 74% | 0.736 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -82.6 | -54.7 | -179.1 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | R490 L491 | R490-T494 WeakPolarHBondContact O-CB 3.23Å; R490-T494 PolarHBondContact O-N 3.49Å; R490-T494 PolarHBondContact O-OG1 3.43Å; L491-T494 PolarHBondContact O-N 2.93Å |
| 495 | D | 87 | Confident | 86.4 | Confident | 57 Ų | 57 | 71.7 Ų | 71.7 | 31% | 0.305 | 37% | 0.372 | S | S | . | . | trans | -155.9 | 101.5 | 178.7 | -176.3 | 15.1 | 0 | 0 | 0 | 112.2 | L491 V497 T498 A499 | L491-D495 CarbonylContact O-C 2.98Å; L491-D495 PolarHBondContact O-N 3.43Å; L491-D495 VanDerWaalsContact O-N 3.12Å; D495-V497 PolarHBondContact O-N 3.06Å; D495-V497 WeakPolarHBondContact OD1-CB 2.68Å; D495-V497 PolarHBondContact OD1-N 3.44Å; D495-T498 PolarHBondContact O-N 2.99Å; D495-T498 WeakPolarHBondContact OD2-CB 3.42Å; D495-T498 PolarHBondContact OD2-N 3.32Å; D495-T498 VanDerWaalsContact OD2-N 3.14Å; D495-T498 PolarHBondContact OD2-OG1 2.9Å; D495-A499 WeakPolarHBondContact O-CB 3.22Å; D495-A499 PolarHBondContact O-N 3.16Å | ||
| 496 | P | 80.3 | Confident | 85.5 | Confident | 66 Ų | 66 | 79.8 Ų | 79.8 | 43% | 0.429 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.5 | -26.5 | 174 | -21.8 | 31 | 0 | 0 | 0 | 114 | L492 A499 K500 | L492-P496 WeakPolarHBondContact O-CG 3.27Å; P496-A499 WeakPolarHBondContact O-CB 3.33Å; P496-K500 PolarHBondContact O-N 3.15Å |
| 497 | V | 84.1 | Confident | 84.9 | Confident | 96 Ų | 96 | 82.3 Ų | 82.3 | 58% | 0.582 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -73.1 | -51 | -178 | -176.9 | 0 | 0 | 0 | 0 | 110 | D495 A499 K500 E501 | D495-V497 PolarHBondContact O-N 3.06Å; D495-V497 WeakPolarHBondContact OD1-CB 2.68Å; D495-V497 PolarHBondContact OD1-N 3.44Å; V497-A499 VanDerWaalsContact C-N 3.27Å; V497-A499 PolarHBondContact O-N 3.24Å; V497-K500 VanDerWaalsContact O-CB 3.29Å; V497-K500 WeakPolarHBondContact O-CB 3.37Å; V497-K500 PolarHBondContact O-N 3.44Å; V497-K500 VanDerWaalsContact O-N 3.1Å; V497-E501 PolarHBondContact O-N 3.42Å |
| 498 | T | 83.3 | Confident | 84.1 | Confident | 63 Ų | 63 | 83.2 Ų | 83.2 | 39% | 0.387 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 172.1 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | D495 K500 E501 V502 | D495-T498 PolarHBondContact O-N 2.99Å; D495-T498 WeakPolarHBondContact OD2-CB 3.42Å; D495-T498 PolarHBondContact OD2-N 3.32Å; D495-T498 VanDerWaalsContact OD2-N 3.14Å; D495-T498 PolarHBondContact OD2-OG1 2.9Å; T498-K500 VanDerWaalsContact C-N 3.26Å; T498-K500 PolarHBondContact O-N 3.37Å; T498-E501 PolarHBondContact O-N 2.86Å; T498-V502 HydrophobicContact CG2-CG2 4.36Å; T498-V502 WeakPolarHBondContact O-CG2 3.5Å; T498-V502 PolarHBondContact O-N 2.9Å |
| 499 | A | 84.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -57.7 | -40.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L455 L491 L492 D495 P496 V497 V502 V503 | L455-A499 HydrophobicContact CD2-CB 3.95Å; L491-A499 HydrophobicContact CD1-CB 4.19Å; L491-A499 HydrophobicContact CD2-CB 4.02Å; L491-A499 HydrophobicContact CG-CB 3.63Å; L492-A499 HydrophobicContact CD2-CB 4.05Å; D495-A499 WeakPolarHBondContact O-CB 3.22Å; D495-A499 PolarHBondContact O-N 3.16Å; P496-A499 WeakPolarHBondContact O-CB 3.33Å; V497-A499 VanDerWaalsContact C-N 3.27Å; V497-A499 PolarHBondContact O-N 3.24Å; A499-V502 PolarHBondContact O-N 3.45Å; A499-V503 VanDerWaalsContact O-CB 3.25Å; A499-V503 WeakPolarHBondContact O-CB 3.48Å; A499-V503 VanDerWaalsContact O-CG2 3.27Å; A499-V503 WeakPolarHBondContact O-CG2 3.36Å; A499-V503 PolarHBondContact O-N 2.89Å |
| 500 | K | 84.9 | Confident | 82.7 | Confident | 106 Ų | 106 | 81.4 Ų | 81.4 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.7 | -165.3 | 175.8 | -179.7 | 166.6 | 0 | 111.7 | L455 P496 V497 T498 V502 L504 | L455-K500 HydrophobicContact CD2-CB 4.28Å; P496-K500 PolarHBondContact O-N 3.15Å; V497-K500 VanDerWaalsContact O-CB 3.29Å; V497-K500 WeakPolarHBondContact O-CB 3.37Å; V497-K500 PolarHBondContact O-N 3.44Å; V497-K500 VanDerWaalsContact O-N 3.1Å; T498-K500 VanDerWaalsContact C-N 3.26Å; T498-K500 PolarHBondContact O-N 3.37Å; K500-V502 PolarHBondContact O-N 3.34Å; K500-L504 HydrophobicContact CD-CD1 4.33Å; K500-L504 HydrophobicContact CG-CD1 3.58Å; K500-L504 HydrophobicContact CG-CG 4.21Å; K500-L504 VanDerWaalsContact O-CB 3.23Å; K500-L504 WeakPolarHBondContact O-CB 3.49Å; K500-L504 PolarHBondContact O-N 3.31Å |
| 501 | E | 84.1 | Confident | 81.3 | Confident | 140 Ų | 140 | 75.8 Ų | 75.8 | 65% | 0.654 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 179.3 | -66.7 | -177.9 | 174.3 | 0 | 0 | 112.3 | V497 T498 S505 | V497-E501 PolarHBondContact O-N 3.42Å; T498-E501 PolarHBondContact O-N 2.86Å; E501-S505 WeakPolarHBondContact O-CB 3.44Å; E501-S505 PolarHBondContact O-N 3.19Å |
| 502 | V | 84.5 | Confident | 79.9 | Confident | 90 Ų | 90 | 76.9 Ų | 76.9 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -77.7 | -45.3 | -178.6 | 176 | 0 | 0 | 0 | 0 | 112.1 | T498 A499 K500 S505 | T498-V502 HydrophobicContact CG2-CG2 4.36Å; T498-V502 WeakPolarHBondContact O-CG2 3.5Å; T498-V502 PolarHBondContact O-N 2.9Å; A499-V502 PolarHBondContact O-N 3.45Å; K500-V502 PolarHBondContact O-N 3.34Å; V502-S505 PolarHBondContact O-OG 3.36Å; V502-S505 VanDerWaalsContact O-OG 3.1Å |
| 503 | V | 83.4 | Confident | 78.3 | Confident | 18 Ų | 18 | 82.3 Ų | 82.3 | 11% | 0.109 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -81.6 | -34.6 | -171.7 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | V451 K452 L455 Y488 L491 A499 | V451-V503 HydrophobicContact CG1-CG1 4.47Å; K452-V503 HydrophobicContact CG-CG1 3.97Å; L455-V503 HydrophobicContact CD1-CB 3.66Å; L455-V503 HydrophobicContact CD1-CG1 3.85Å; L455-V503 HydrophobicContact CD1-CG2 4.14Å; Y488-V503 HydrophobicContact CE1-CG2 4.23Å; L491-V503 HydrophobicContact CD2-CG2 4.05Å; A499-V503 VanDerWaalsContact O-CB 3.25Å; A499-V503 WeakPolarHBondContact O-CB 3.48Å; A499-V503 VanDerWaalsContact O-CG2 3.27Å; A499-V503 WeakPolarHBondContact O-CG2 3.36Å; A499-V503 PolarHBondContact O-N 2.89Å |
| 504 | L | 82.3 | Confident | 76.7 | Confident | 51 Ų | 51 | 84.5 Ų | 84.5 | 27% | 0.267 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -94.7 | 8.5 | 178 | -53.4 | -175.5 | 0 | 0 | 0 | 113.1 | K452 L455 K456 K500 | K452-L504 HydrophobicContact CB-CD2 4.35Å; K452-L504 HydrophobicContact CG-CD2 4.1Å; L455-L504 HydrophobicContact CB-CD1 4.29Å; K456-L504 HydrophobicContact CG-CD1 4.19Å; K500-L504 HydrophobicContact CD-CD1 4.33Å; K500-L504 HydrophobicContact CG-CD1 3.58Å; K500-L504 HydrophobicContact CG-CG 4.21Å; K500-L504 VanDerWaalsContact O-CB 3.23Å; K500-L504 WeakPolarHBondContact O-CB 3.49Å; K500-L504 PolarHBondContact O-N 3.31Å |
| 505 | S | 81.8 | Confident | 75.4 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 42% | 0.42 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -57.8 | 141.5 | 173.4 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | E501 V502 K507 | E501-S505 WeakPolarHBondContact O-CB 3.44Å; E501-S505 PolarHBondContact O-N 3.19Å; V502-S505 PolarHBondContact O-OG 3.36Å; V502-S505 VanDerWaalsContact O-OG 3.1Å; S505-K507 PolarHBondContact O-N 3.43Å |
| 506 | E | 73.1 | Confident | 74.4 | Confident | 169 Ų | 169 | 84.2 Ų | 84.2 | 79% | 0.79 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 124.3 | 173.2 | -167.8 | -179.6 | -178.2 | 0 | 0 | 110 | ||
| 507 | K | 78.9 | Confident | 74.1 | Confident | 114 Ų | 114 | 82.6 Ų | 82.6 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 147.4 | -179.5 | -65.3 | 175.9 | -175.2 | 168.2 | 0 | 109.8 | S505 L509 | S505-K507 PolarHBondContact O-N 3.43Å; K507-L509 PolarHBondContact O-N 3.18Å |
| 508 | P | 75.5 | Confident | 73.8 | Confident | 126 Ų | 126 | 82.5 Ų | 82.5 | 82% | 0.818 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 134.5 | 174.3 | -25.8 | 34 | 0 | 0 | 0 | 111.7 | ||
| 509 | L | 76.6 | Confident | 73.6 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 45% | 0.45 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 145.8 | 177.4 | -57.6 | 176.7 | 0 | 0 | 0 | 109.9 | R381 K382 K507 S511 | R381-L509 VanDerWaalsContact O-CD2 3.26Å; R381-L509 WeakPolarHBondContact O-CD2 3.07Å; K382-L509 HydrophobicContact CD-CB 4.41Å; K507-L509 PolarHBondContact O-N 3.18Å; L509-S511 PolarHBondContact O-N 3.37Å |
| 510 | I | 71.4 | Confident | 73.5 | Confident | 34 Ų | 34 | 87.7 Ų | 87.7 | 17% | 0.174 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 131.4 | 173 | 59.1 | 173 | 0 | 0 | 0 | 110.3 | I344 D378 R381 K382 | I344-I510 HydrophobicContact CD1-CD1 3.87Å; D378-I510 HydrophobicContact CB-CD1 3.96Å; D378-I510 WeakPolarHBondContact O-CD1 3.34Å; R381-I510 HydrophobicContact CB-CD1 4.32Å; R381-I510 HydrophobicContact CB-CG1 4.4Å; R381-I510 HydrophobicContact CB-CG2 4.35Å; R381-I510 VanDerWaalsContact CZ-CG2 3.48Å; R381-I510 VanDerWaalsContact NH2-CG2 3.35Å; K382-I510 HydrophobicContact CB-CD1 4.46Å; K382-I510 HydrophobicContact CB-CG1 4.11Å; K382-I510 HydrophobicContact CD-CG1 4.42Å; K382-I510 WeakPolarHBondContact CD-O 3.43Å; K382-I510 PolarHBondContact NZ-O 2.97Å |
| 511 | S | 62.1 | Low | 73.4 | Confident | 54 Ų | 54 | 84.4 Ų | 84.4 | 38% | 0.378 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 152.5 | 165.4 | 58.5 | 0 | 0 | 0 | 0 | 109.4 | L509 E513 | L509-S511 PolarHBondContact O-N 3.37Å; S511-E513 VanDerWaalsContact CB-OE2 3.31Å; S511-E513 WeakPolarHBondContact CB-OE2 3.49Å; S511-E513 PolarHBondContact O-N 2.9Å; S511-E513 VanDerWaalsContact O-N 3.14Å; S511-E513 PolarHBondContact OG-OE2 2.76Å |
| 512 | E | 59.1 | Low | 73.4 | Confident | 69 Ų | 69 | 78.4 Ų | 78.4 | 32% | 0.322 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -71.4 | 0.8 | 178.8 | -167.2 | 167.3 | 168.2 | 0 | 0 | 112.9 | K345 T514 | K345-E512 WeakPolarHBondContact CA-OE2 3.36Å; K345-E512 WeakPolarHBondContact CB-OE2 3.36Å; K345-E512 WeakPolarHBondContact CD-OE1 3.5Å; K345-E512 WeakPolarHBondContact CG-OE2 3.42Å; E512-T514 PolarHBondContact O-N 3.11Å; E512-T514 VanDerWaalsContact O-N 3.13Å |
| 513 | E | 53.5 | Low | 73.3 | Confident | 130 Ų | 130 | 75.4 Ų | 75.4 | 61% | 0.607 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -69.2 | -10.1 | -173 | -66.6 | 157.9 | 164.5 | 0 | 0 | 113.6 | S511 D515 L516 | S511-E513 VanDerWaalsContact CB-OE2 3.31Å; S511-E513 WeakPolarHBondContact CB-OE2 3.49Å; S511-E513 PolarHBondContact O-N 2.9Å; S511-E513 VanDerWaalsContact O-N 3.14Å; S511-E513 PolarHBondContact OG-OE2 2.76Å; E513-D515 PolarHBondContact O-N 3.32Å; E513-L516 HydrophobicContact CB-CD1 4.39Å; E513-L516 HydrophobicContact CG-CD1 4.13Å; E513-L516 PolarHBondContact O-N 3.08Å |
| 514 | T | 51.8 | Low | 73.2 | Confident | 125 Ų | 125 | 76.3 Ų | 76.3 | 77% | 0.767 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -63.7 | -21.9 | -178.9 | 35.6 | 0 | 0 | 0 | 0 | 114.9 | E512 | E512-T514 PolarHBondContact O-N 3.11Å; E512-T514 VanDerWaalsContact O-N 3.13Å |
| 515 | D | 60.8 | Low | 73.2 | Confident | 72 Ų | 72 | 73.9 Ų | 73.9 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -110.6 | 10.7 | 177.9 | -63.1 | -56.9 | 0 | 0 | 0 | 112.8 | R306 R341 E513 | R306-D515 PolarHBondContact NH1-O 2.9Å; R306-D515 PolarHBondContact NH2-O 3Å; R341-D515 IonicContact CZ-OD2 3.98Å; R341-D515 IonicContact NE-OD2 3.6Å; R341-D515 PolarHBondContact NE-OD2 3.15Å; R341-D515 VanDerWaalsContact NE-OD2 3.15Å; R341-D515 IonicContact NH1-OD2 3.84Å; R341-D515 IonicContact NH2-OD1 2.8Å; R341-D515 PolarHBondContact NH2-OD1 2.75Å; R341-D515 IonicContact NH2-OD2 2.7Å; R341-D515 PolarHBondContact NH2-OD2 3.31Å; E513-D515 PolarHBondContact O-N 3.32Å |
| 516 | L | 67 | Low | 73.2 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 52% | 0.518 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -85.1 | 132.1 | 172.9 | -68.5 | 176.4 | 0 | 0 | 0 | 109.1 | E513 | E513-L516 HydrophobicContact CB-CD1 4.39Å; E513-L516 HydrophobicContact CG-CD1 4.13Å; E513-L516 PolarHBondContact O-N 3.08Å |
| 517 | I | 74.6 | Confident | 73.4 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 144.4 | 169.1 | -151.4 | 152.3 | 0 | 0 | 0 | 108.5 | L521 L522 L525 H537 | I517-L521 HydrophobicContact CD1-CD2 3.95Å; I517-L521 HydrophobicContact CD1-CG 4.26Å; I517-L521 HydrophobicContact CG1-CD2 3.7Å; I517-L521 HydrophobicContact CG1-CG 4.07Å; I517-L522 HydrophobicContact CG2-CB 3.58Å; I517-L522 HydrophobicContact CG2-CD1 3.8Å; I517-L522 HydrophobicContact CG2-CD2 4.4Å; I517-L522 HydrophobicContact CG2-CG 4.11Å; I517-L525 HydrophobicContact CD1-CD1 3.63Å; I517-H537 HydrophobicContact CD1-CB 4.2Å |
| 518 | E | 77.5 | Confident | 73.6 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 133 | -179.8 | -168.4 | -74.6 | 140.6 | 0 | 0 | 109.5 | T520 L521 L522 | E518-T520 VanDerWaalsContact C-N 3.31Å; E518-T520 VanDerWaalsContact CD-N 3.29Å; E518-T520 PolarHBondContact O-N 2.96Å; E518-T520 WeakPolarHBondContact OE1-CG2 3.38Å; E518-T520 PolarHBondContact OE1-N 3.1Å; E518-T520 VanDerWaalsContact OE1-N 3.16Å; E518-T520 PolarHBondContact OE1-OG1 3.5Å; E518-T520 VanDerWaalsContact OE2-CA 3.29Å; E518-T520 WeakPolarHBondContact OE2-CA 3.22Å; E518-T520 VanDerWaalsContact OE2-CB 3.29Å; E518-T520 WeakPolarHBondContact OE2-CB 3.31Å; E518-T520 PolarHBondContact OE2-N 3.07Å; E518-T520 PolarHBondContact OE2-OG1 3.42Å; E518-L521 HydrophobicContact CB-CB 4.29Å; E518-L521 CarbonylContact O-C 3.37Å; E518-L521 WeakPolarHBondContact O-CB 3.48Å; E518-L521 PolarHBondContact O-N 3.33Å; E518-L521 VanDerWaalsContact O-N 3.1Å; E518-L521 PolarHBondContact OE2-N 3.47Å; E518-L522 PolarHBondContact O-N 2.74Å |
| 519 | P | 78.7 | Confident | 74 | Confident | 87 Ų | 87 | 53.3 Ų | 53.3 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.2 | -35.5 | -171.4 | -28.8 | 35.9 | 0 | 0 | 0 | 115.1 | L522 D523 | P519-L522 WeakPolarHBondContact O-CB 3.16Å; P519-L522 PolarHBondContact O-N 2.88Å; P519-D523 VanDerWaalsContact O-CG 3.24Å; P519-D523 PolarHBondContact O-N 3.16Å |
| 520 | T | 82.5 | Confident | 74.2 | Confident | 85 Ų | 85 | 51 Ų | 51 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.5 | -38.1 | 176.7 | 73.9 | 0 | 0 | 0 | 0 | 112 | E518 L522 D523 E524 | E518-T520 VanDerWaalsContact C-N 3.31Å; E518-T520 VanDerWaalsContact CD-N 3.29Å; E518-T520 PolarHBondContact O-N 2.96Å; E518-T520 WeakPolarHBondContact OE1-CG2 3.38Å; E518-T520 PolarHBondContact OE1-N 3.1Å; E518-T520 VanDerWaalsContact OE1-N 3.16Å; E518-T520 PolarHBondContact OE1-OG1 3.5Å; E518-T520 VanDerWaalsContact OE2-CA 3.29Å; E518-T520 WeakPolarHBondContact OE2-CA 3.22Å; E518-T520 VanDerWaalsContact OE2-CB 3.29Å; E518-T520 WeakPolarHBondContact OE2-CB 3.31Å; E518-T520 PolarHBondContact OE2-N 3.07Å; E518-T520 PolarHBondContact OE2-OG1 3.42Å; T520-L522 VanDerWaalsContact C-N 3.35Å; T520-D523 PolarHBondContact O-N 3.07Å; T520-E524 PolarHBondContact O-N 3.04Å |
| 521 | L | 82.7 | Confident | 74.8 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 19% | 0.194 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 172.3 | 178.2 | 59.7 | 0 | 0 | 0 | 111.4 | I517 E518 D523 E524 L525 P539 | I517-L521 HydrophobicContact CD1-CD2 3.95Å; I517-L521 HydrophobicContact CD1-CG 4.26Å; I517-L521 HydrophobicContact CG1-CD2 3.7Å; I517-L521 HydrophobicContact CG1-CG 4.07Å; E518-L521 HydrophobicContact CB-CB 4.29Å; E518-L521 CarbonylContact O-C 3.37Å; E518-L521 WeakPolarHBondContact O-CB 3.48Å; E518-L521 PolarHBondContact O-N 3.33Å; E518-L521 VanDerWaalsContact O-N 3.1Å; E518-L521 PolarHBondContact OE2-N 3.47Å; L521-D523 VanDerWaalsContact C-N 3.33Å; L521-D523 PolarHBondContact O-N 3.43Å; L521-E524 PolarHBondContact O-N 3.43Å; L521-L525 HydrophobicContact CD1-CD1 4.14Å; L521-L525 HydrophobicContact CD1-CG 4.04Å; L521-L525 HydrophobicContact CG-CD1 4.01Å; L521-L525 HydrophobicContact CG-CG 4.34Å; L521-L525 WeakPolarHBondContact O-CB 3.35Å; L521-L525 VanDerWaalsContact O-CG 3.25Å; L521-L525 WeakPolarHBondContact O-CG 3.48Å; L521-L525 PolarHBondContact O-N 2.83Å; L521-P539 HydrophobicContact CD1-CB 3.74Å; L521-P539 HydrophobicContact CD1-CG 4.12Å |
| 522 | L | 83.4 | Confident | 75.9 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 173.7 | -175.1 | 56.6 | 0 | 0 | 0 | 110.2 | L270 Q273 K274 I517 E518 P519 T520 E524 L525 I526 | L270-L522 HydrophobicContact CB-CD1 4.3Å; L270-L522 HydrophobicContact CD2-CD1 3.99Å; Q273-L522 HydrophobicContact CB-CD1 4.23Å; Q273-L522 HydrophobicContact CB-CD2 4.05Å; K274-L522 HydrophobicContact CB-CD2 3.99Å; K274-L522 HydrophobicContact CB-CG 4.44Å; K274-L522 HydrophobicContact CD-CD2 4.13Å; K274-L522 HydrophobicContact CD-CG 4.47Å; I517-L522 HydrophobicContact CG2-CB 3.58Å; I517-L522 HydrophobicContact CG2-CD1 3.8Å; I517-L522 HydrophobicContact CG2-CD2 4.4Å; I517-L522 HydrophobicContact CG2-CG 4.11Å; E518-L522 PolarHBondContact O-N 2.74Å; P519-L522 WeakPolarHBondContact O-CB 3.16Å; P519-L522 PolarHBondContact O-N 2.88Å; T520-L522 VanDerWaalsContact C-N 3.35Å; L522-E524 VanDerWaalsContact C-N 3.28Å; L522-E524 PolarHBondContact O-N 3.42Å; L522-L525 CarbonylContact O-C 3.53Å; L522-L525 PolarHBondContact O-N 2.92Å; L522-L525 VanDerWaalsContact O-N 3.09Å; L522-I526 HydrophobicContact CD1-CD1 4.36Å; L522-I526 HydrophobicContact CD1-CG1 4.47Å; L522-I526 HydrophobicContact CG-CG1 4.47Å; L522-I526 VanDerWaalsContact O-CG1 3.31Å; L522-I526 WeakPolarHBondContact O-CG1 3.45Å; L522-I526 PolarHBondContact O-N 3.42Å |
| 523 | D | 82.6 | Confident | 77.1 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 15% | 0.15 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -37.4 | -177.3 | -72.4 | -3.5 | 0 | 0 | 0 | 112.2 | K274 P519 T520 L521 C527 L555 | K274-D523 WeakPolarHBondContact CE-OD1 3.31Å; K274-D523 IonicContact NZ-OD1 3.11Å; K274-D523 PolarHBondContact NZ-OD1 3.44Å; K274-D523 IonicContact NZ-OD2 2.76Å; K274-D523 PolarHBondContact NZ-OD2 3.27Å; P519-D523 VanDerWaalsContact O-CG 3.24Å; P519-D523 PolarHBondContact O-N 3.16Å; T520-D523 PolarHBondContact O-N 3.07Å; L521-D523 VanDerWaalsContact C-N 3.33Å; L521-D523 PolarHBondContact O-N 3.43Å; D523-C527 PolarHBondContact O-SG 3.1Å; D523-C527 VanDerWaalsContact O-SG 3.33Å; D523-L555 HydrophobicContact CB-CD1 3.67Å; D523-L555 HydrophobicContact CB-CG 4.29Å |
| 524 | E | 80.6 | Confident | 78.6 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 171.7 | -173.2 | 173.6 | -178.4 | 0 | 0 | 111.6 | T520 L521 L522 I526 C527 H528 | T520-E524 PolarHBondContact O-N 3.04Å; L521-E524 PolarHBondContact O-N 3.43Å; L522-E524 VanDerWaalsContact C-N 3.28Å; L522-E524 PolarHBondContact O-N 3.42Å; E524-I526 VanDerWaalsContact C-N 3.31Å; E524-I526 PolarHBondContact O-N 3.43Å; E524-C527 VanDerWaalsContact O-CB 3.3Å; E524-C527 WeakPolarHBondContact O-CB 3.39Å; E524-C527 PolarHBondContact O-N 3.1Å; E524-H528 PolarHBondContact O-CD2 3.33Å; E524-H528 VanDerWaalsContact O-CD2 3.3Å; E524-H528 PolarHBondContact O-N 3.23Å |
| 525 | L | 82.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -29.1 | -179.9 | -72 | 176.7 | 0 | 0 | 0 | 113.3 | L270 I517 L521 L522 C527 H528 I529 A533 | L270-L525 HydrophobicContact CD1-CB 4.2Å; L270-L525 HydrophobicContact CD2-CD1 4.16Å; I517-L525 HydrophobicContact CD1-CD1 3.63Å; L521-L525 HydrophobicContact CD1-CD1 4.14Å; L521-L525 HydrophobicContact CD1-CG 4.04Å; L521-L525 HydrophobicContact CG-CD1 4.01Å; L521-L525 HydrophobicContact CG-CG 4.34Å; L521-L525 WeakPolarHBondContact O-CB 3.35Å; L521-L525 VanDerWaalsContact O-CG 3.25Å; L521-L525 WeakPolarHBondContact O-CG 3.48Å; L521-L525 PolarHBondContact O-N 2.83Å; L522-L525 CarbonylContact O-C 3.53Å; L522-L525 PolarHBondContact O-N 2.92Å; L522-L525 VanDerWaalsContact O-N 3.09Å; L525-C527 VanDerWaalsContact C-N 3.27Å; L525-C527 PolarHBondContact O-N 3.41Å; L525-H528 CarbonylContact O-C 3.59Å; L525-H528 WeakPolarHBondContact O-CA 3.37Å; L525-H528 PolarHBondContact O-N 3.43Å; L525-I529 PolarHBondContact O-N 3.15Å; L525-A533 HydrophobicContact CD2-CB 4.29Å |
| 526 | I | 81.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -40.6 | 171.1 | -66.8 | -57.8 | 0 | 0 | 0 | 110.4 | M226 L270 K274 L522 E524 H528 I529 L555 | M226-I526 HydrophobicContact CB-CG2 4.05Å; L270-I526 HydrophobicContact CB-CD1 4.36Å; K274-I526 HydrophobicContact CB-CD1 4.18Å; K274-I526 HydrophobicContact CG-CG1 4.45Å; L522-I526 HydrophobicContact CD1-CD1 4.36Å; L522-I526 HydrophobicContact CD1-CG1 4.47Å; L522-I526 HydrophobicContact CG-CG1 4.47Å; L522-I526 VanDerWaalsContact O-CG1 3.31Å; L522-I526 WeakPolarHBondContact O-CG1 3.45Å; L522-I526 PolarHBondContact O-N 3.42Å; E524-I526 VanDerWaalsContact C-N 3.31Å; E524-I526 PolarHBondContact O-N 3.43Å; I526-H528 PolarHBondContact O-N 2.89Å; I526-H528 VanDerWaalsContact O-N 3.15Å; I526-I529 HydrophobicContact CB-CD1 4.4Å; I526-I529 HydrophobicContact CD1-CD1 3.77Å; I526-I529 HydrophobicContact CG2-CD1 4.06Å; I526-I529 WeakPolarHBondContact O-CG1 3.16Å; I526-I529 PolarHBondContact O-N 2.91Å; I526-L555 HydrophobicContact CG2-CD2 4.47Å |
| 527 | C | 79.1 | Confident | 82.1 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.2 | -17.2 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 112.7 | D523 E524 L525 K553 | D523-C527 PolarHBondContact O-SG 3.1Å; D523-C527 VanDerWaalsContact O-SG 3.33Å; E524-C527 VanDerWaalsContact O-CB 3.3Å; E524-C527 WeakPolarHBondContact O-CB 3.39Å; E524-C527 PolarHBondContact O-N 3.1Å; L525-C527 VanDerWaalsContact C-N 3.27Å; L525-C527 PolarHBondContact O-N 3.41Å; C527-K553 HydrophobicContact CB-CB 3.67Å; C527-K553 HydrophobicContact CB-CD 4.2Å; C527-K553 PolarHBondContact SG-O 3.04Å |
| 528 | H | 81.8 | Confident | 82.6 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 11 | -179.5 | -75 | -72.4 | 0 | 0 | 0 | 113.8 | E524 L525 I526 G530 S531 A533 S534 | E524-H528 PolarHBondContact O-CD2 3.33Å; E524-H528 VanDerWaalsContact O-CD2 3.3Å; E524-H528 PolarHBondContact O-N 3.23Å; L525-H528 CarbonylContact O-C 3.59Å; L525-H528 WeakPolarHBondContact O-CA 3.37Å; L525-H528 PolarHBondContact O-N 3.43Å; I526-H528 PolarHBondContact O-N 2.89Å; I526-H528 VanDerWaalsContact O-N 3.15Å; H528-G530 PolarHBondContact O-N 2.86Å; H528-S531 WeakPolarHBondContact CB-OG 3.35Å; H528-S531 VanDerWaalsContact O-CB 3.28Å; H528-S531 WeakPolarHBondContact O-CB 3.46Å; H528-S531 PolarHBondContact O-N 3.24Å; H528-S531 PolarHBondContact O-OG 3.02Å; H528-A533 HydrophobicContact CB-CB 4.18Å; H528-S534 VanDerWaalsContact O-CB 3.26Å; H528-S534 WeakPolarHBondContact O-CB 3.38Å; H528-S534 PolarHBondContact O-OG 3.04Å; H528-S534 VanDerWaalsContact O-OG 3.09Å |
| 529 | I | 84 | Confident | 82.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 128.5 | 179.3 | -77.8 | 170.1 | 0 | 0 | 0 | 111.9 | K223 I271 L525 I526 S531 S534 | K223-I529 HydrophobicContact CB-CB 4.01Å; K223-I529 HydrophobicContact CB-CG2 4.19Å; K223-I529 WeakPolarHBondContact CE-O 3.38Å; K223-I529 HydrophobicContact CG-CB 4.29Å; K223-I529 PolarHBondContact NZ-O 2.97Å; I271-I529 HydrophobicContact CG1-CD1 4.12Å; L525-I529 PolarHBondContact O-N 3.15Å; I526-I529 HydrophobicContact CB-CD1 4.4Å; I526-I529 HydrophobicContact CD1-CD1 3.77Å; I526-I529 HydrophobicContact CG2-CD1 4.06Å; I526-I529 WeakPolarHBondContact O-CG1 3.16Å; I526-I529 PolarHBondContact O-N 2.91Å; I529-S531 VanDerWaalsContact C-N 3.3Å; I529-S534 WeakPolarHBondContact CA-OG 3.41Å |
| 530 | G | 80.9 | Confident | 82.4 | Confident | 36 Ų | 36 | 37.9 Ų | 37.9 | 37% | 0.371 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 2.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N267 H528 S534 | N267-G530 PolarHBondContact OD1-N 3.01Å; H528-G530 PolarHBondContact O-N 2.86Å; G530-S534 PolarHBondContact N-OG 2.86Å; G530-S534 VanDerWaalsContact N-OG 3.07Å |
| 531 | S | 85.2 | Confident | 82.2 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -99.9 | 172.4 | 165.9 | 77.4 | 0 | 0 | 0 | 0 | 111.2 | H528 I529 A533 S534 V535 | H528-S531 WeakPolarHBondContact CB-OG 3.35Å; H528-S531 VanDerWaalsContact O-CB 3.28Å; H528-S531 WeakPolarHBondContact O-CB 3.46Å; H528-S531 PolarHBondContact O-N 3.24Å; H528-S531 PolarHBondContact O-OG 3.02Å; I529-S531 VanDerWaalsContact C-N 3.3Å; S531-A533 VanDerWaalsContact C-N 3.28Å; S531-A533 PolarHBondContact O-N 3.35Å; S531-S534 PolarHBondContact O-N 3.17Å; S531-S534 PolarHBondContact O-OG 3.12Å; S531-S534 VanDerWaalsContact O-OG 3.12Å; S531-V535 WeakPolarHBondContact O-CG2 3.41Å; S531-V535 PolarHBondContact O-N 3.17Å |
| 532 | L | 85.3 | Confident | 82 | Confident | 121 Ų | 121 | 40 Ų | 40 | 63% | 0.634 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.7 | -37.2 | 178.6 | -62.8 | 175.7 | 0 | 0 | 0 | 112.3 | S534 V535 Y536 | L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.37Å; L532-V535 PolarHBondContact O-N 3.06Å; L532-V535 VanDerWaalsContact O-N 3.1Å; L532-Y536 HydrophobicContact CB-CD2 4.25Å; L532-Y536 HydrophobicContact CB-CE2 4.34Å; L532-Y536 HydrophobicContact CD2-CE2 4.4Å; L532-Y536 WeakPolarHBondContact O-CD2 3.24Å; L532-Y536 PolarHBondContact O-N 3.04Å |
| 533 | A | 84.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L525 H528 S531 V535 Y536 H537 K538 P540 F543 | L525-A533 HydrophobicContact CD2-CB 4.29Å; H528-A533 HydrophobicContact CB-CB 4.18Å; S531-A533 VanDerWaalsContact C-N 3.28Å; S531-A533 PolarHBondContact O-N 3.35Å; A533-V535 VanDerWaalsContact C-N 3.33Å; A533-V535 PolarHBondContact O-N 3.38Å; A533-Y536 PolarHBondContact O-N 3.5Å; A533-H537 PolarHBondContact O-N 2.66Å; A533-H537 VanDerWaalsContact O-N 3.1Å; A533-K538 PolarHBondContact O-N 2.92Å; A533-P540 HydrophobicContact CB-CG 3.9Å; A533-F543 HydrophobicContact CB-CE1 3.98Å; A533-F543 HydrophobicContact CB-CZ 4.39Å |
| 534 | S | 83.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.9 | -23.6 | 178.4 | 76.8 | 0 | 0 | 0 | 0 | 113.3 | N267 L270 H528 I529 G530 S531 L532 H537 | N267-S534 PolarHBondContact OD1-OG 3.25Å; L270-S534 WeakPolarHBondContact CD1-O 3.27Å; H528-S534 VanDerWaalsContact O-CB 3.26Å; H528-S534 WeakPolarHBondContact O-CB 3.38Å; H528-S534 PolarHBondContact O-OG 3.04Å; H528-S534 VanDerWaalsContact O-OG 3.09Å; I529-S534 WeakPolarHBondContact CA-OG 3.41Å; G530-S534 PolarHBondContact N-OG 2.86Å; G530-S534 VanDerWaalsContact N-OG 3.07Å; S531-S534 PolarHBondContact O-N 3.17Å; S531-S534 PolarHBondContact O-OG 3.12Å; S531-S534 VanDerWaalsContact O-OG 3.12Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.37Å; S534-H537 PolarHBondContact O-CD2 3.47Å |
| 535 | V | 84.6 | Confident | 79.4 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77.9 | -40.5 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | V263 R266 S531 L532 A533 H537 | V263-V535 HydrophobicContact CG1-CG2 3.93Å; R266-V535 HydrophobicContact CB-CG1 4.4Å; R266-V535 HydrophobicContact CG-CG1 4.35Å; R266-V535 PolarHBondContact NE-O 3.37Å; R266-V535 PolarHBondContact NH2-O 3.25Å; R266-V535 VanDerWaalsContact NH2-O 3.15Å; S531-V535 WeakPolarHBondContact O-CG2 3.41Å; S531-V535 PolarHBondContact O-N 3.17Å; L532-V535 PolarHBondContact O-N 3.06Å; L532-V535 VanDerWaalsContact O-N 3.1Å; A533-V535 VanDerWaalsContact C-N 3.33Å; A533-V535 PolarHBondContact O-N 3.38Å; V535-H537 VanDerWaalsContact C-N 3.3Å; V535-H537 PolarHBondContact O-N 3.32Å |
| 536 | Y | 84.3 | Confident | 77.7 | Confident | 149 Ų | 149 | 57.8 Ų | 57.8 | 58% | 0.584 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -78.6 | -10.7 | 179.3 | -75.8 | -72 | 0 | 0 | 0 | 114.1 | L532 A533 K538 | L532-Y536 HydrophobicContact CB-CD2 4.25Å; L532-Y536 HydrophobicContact CB-CE2 4.34Å; L532-Y536 HydrophobicContact CD2-CE2 4.4Å; L532-Y536 WeakPolarHBondContact O-CD2 3.24Å; L532-Y536 PolarHBondContact O-N 3.04Å; A533-Y536 PolarHBondContact O-N 3.5Å; Y536-K538 PolarHBondContact O-N 3.28Å |
| 537 | H | 85.2 | Confident | 75.6 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 34.4 | -171.3 | -58.1 | 167.1 | 0 | 0 | 0 | 112.1 | R266 I517 A533 S534 V535 | R266-H537 PolarHBondContact NH1-CE1 2.85Å; R266-H537 VanDerWaalsContact NH1-CE1 3.33Å; R266-H537 PolarHBondContact NH1-ND1 3.48Å; R266-H537 PolarHBondContact NH2-CE1 3.29Å; R266-H537 PolarHBondContact NH2-ND1 3.45Å; R266-H537 PolarHBondContact O-NE2 3.05Å; I517-H537 HydrophobicContact CD1-CB 4.2Å; A533-H537 PolarHBondContact O-N 2.66Å; A533-H537 VanDerWaalsContact O-N 3.1Å; S534-H537 PolarHBondContact O-CD2 3.47Å; V535-H537 VanDerWaalsContact C-N 3.3Å; V535-H537 PolarHBondContact O-N 3.32Å |
| 538 | K | 83.6 | Confident | 73.5 | Confident | 125 Ų | 125 | 70.2 Ų | 70.2 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -125.6 | 140.6 | 179 | -72.6 | -172.8 | 178.9 | -172.4 | 0 | 109 | A533 Y536 A542 | A533-K538 PolarHBondContact O-N 2.92Å; Y536-K538 PolarHBondContact O-N 3.28Å; K538-A542 HydrophobicContact CB-CB 4.4Å |
| 539 | P | 79.2 | Confident | 71.5 | Confident | 28 Ų | 28 | 70.5 Ų | 70.5 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | trans | -63 | 151.5 | 178 | 26.4 | -33.1 | 0 | 0 | 0 | 110.6 | L521 N541 A542 | L521-P539 HydrophobicContact CD1-CB 3.74Å; L521-P539 HydrophobicContact CD1-CG 4.12Å; P539-N541 WeakPolarHBondContact CB-OD1 3.31Å; P539-N541 WeakPolarHBondContact CG-OD1 3.46Å; P539-N541 PolarHBondContact O-N 3.13Å; P539-N541 VanDerWaalsContact O-N 3.15Å; P539-A542 HydrophobicContact CG-CB 4.09Å; P539-A542 WeakPolarHBondContact O-CB 3.49Å; P539-A542 PolarHBondContact O-N 3.38Å | ||
| 540 | P | 74.5 | Confident | 69.4 | Low | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.032 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -52.4 | -35.9 | -179.8 | -29.1 | 35.5 | 0 | 0 | 0 | 115.2 | A533 A542 F543 I550 | A533-P540 HydrophobicContact CB-CG 3.9Å; P540-A542 VanDerWaalsContact C-N 3.26Å; P540-A542 PolarHBondContact O-N 3.27Å; P540-F543 VanDerWaalsContact CA-CZ 3.46Å; P540-F543 HydrophobicContact CB-CE1 4.25Å; P540-F543 HydrophobicContact CB-CZ 3.95Å; P540-F543 WeakPolarHBondContact O-CD1 3.32Å; P540-F543 WeakPolarHBondContact O-CE1 3.44Å; P540-F543 WeakPolarHBondContact O-CE2 3.44Å; P540-F543 WeakPolarHBondContact O-CZ 3.43Å; P540-F543 PolarHBondContact O-N 3.49Å; P540-I550 HydrophobicContact CB-CD1 3.78Å |
| 541 | N | 76.9 | Confident | 67.5 | Low | 101 Ų | 101 | 78.2 Ų | 78.2 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -66.9 | -21.1 | 179.3 | 60.1 | 7.1 | 0 | 0 | 0 | 114.1 | P539 F543 | P539-N541 WeakPolarHBondContact CB-OD1 3.31Å; P539-N541 WeakPolarHBondContact CG-OD1 3.46Å; P539-N541 PolarHBondContact O-N 3.13Å; P539-N541 VanDerWaalsContact O-N 3.15Å; N541-F543 VanDerWaalsContact C-N 3.28Å; N541-F543 PolarHBondContact O-N 3.4Å |
| 542 | A | 79.6 | Confident | 65.3 | Low | 66 Ų | 66 | 87 Ų | 87 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -76.7 | -15.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K538 P539 P540 | K538-A542 HydrophobicContact CB-CB 4.4Å; P539-A542 HydrophobicContact CG-CB 4.09Å; P539-A542 WeakPolarHBondContact O-CB 3.49Å; P539-A542 PolarHBondContact O-N 3.38Å; P540-A542 VanDerWaalsContact C-N 3.26Å; P540-A542 PolarHBondContact O-N 3.27Å |
| 543 | F | 79.6 | Confident | 63.4 | Low | 115 Ų | 115 | 84 Ų | 84 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -111.4 | -2 | 178.7 | 57.8 | -103.8 | 0 | 0 | 0 | 114 | A533 P540 N541 | A533-F543 HydrophobicContact CB-CE1 3.98Å; A533-F543 HydrophobicContact CB-CZ 4.39Å; P540-F543 VanDerWaalsContact CA-CZ 3.46Å; P540-F543 HydrophobicContact CB-CE1 4.25Å; P540-F543 HydrophobicContact CB-CZ 3.95Å; P540-F543 WeakPolarHBondContact O-CD1 3.32Å; P540-F543 WeakPolarHBondContact O-CE1 3.44Å; P540-F543 WeakPolarHBondContact O-CE2 3.44Å; P540-F543 WeakPolarHBondContact O-CZ 3.43Å; P540-F543 PolarHBondContact O-N 3.49Å; N541-F543 VanDerWaalsContact C-N 3.28Å; N541-F543 PolarHBondContact O-N 3.4Å |
| 544 | V | 67.8 | Low | 61.4 | Low | 65 Ų | 65 | 88.8 Ų | 88.8 | 39% | 0.394 | 46% | 0.456 | S | S | . | . | trans | -136.2 | 102.4 | 172.1 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | G546 | V544-G546 PolarHBondContact O-N 2.97Š| ||
| 545 | E | 44.5 | Very low | 59.4 | Low | 197 Ų | 197 | 89.2 Ų | 89.2 | 92% | 0.921 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 119.1 | 167.1 | -71.6 | -177.9 | 164.8 | 0 | 0 | 109 | ||
| 546 | G | 46.4 | Very low | 57.1 | Low | 74 Ų | 74 | 90 Ų | 90 | 76% | 0.763 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.1 | -3.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | V544 H548 | V544-G546 PolarHBondContact O-N 2.97Å; G546-H548 PolarHBondContact O-N 3.29Å |
| 547 | S | 37.6 | Very low | 54.7 | Low | 67 Ų | 67 | 89.2 Ų | 89.2 | 47% | 0.469 | 47% | 0.468 | S | S | . | . | trans | -90.3 | 82.5 | 173.1 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | G549 | S547-G549 PolarHBondContact O-N 3.38Š| ||
| 548 | H | 34.4 | Very low | 52 | Low | 205 Ų | 205 | 95.7 Ų | 95.7 | 95% | 0.949 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 70.6 | 157.1 | -77.7 | -71.5 | 0 | 0 | 0 | 108.7 | G546 | G546-H548 PolarHBondContact O-N 3.29Š|
| 549 | G | 39.3 | Very low | 49.5 | Very low | 33 Ų | 33 | 98.3 Ų | 98.3 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -174.8 | -9.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | S547 H551 | S547-G549 PolarHBondContact O-N 3.38Å; G549-H551 PolarHBondContact O-N 2.95Å |
| 550 | I | 40.5 | Very low | 46.9 | Very low | 73 Ų | 73 | 99.4 Ų | 99.4 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | trans | -74.4 | 103.3 | 170.8 | -54.2 | 177.5 | 0 | 0 | 0 | 107.4 | P540 R552 | P540-I550 HydrophobicContact CB-CD1 3.78Å; I550-R552 PolarHBondContact O-N 3.41Å | ||
| 551 | H | 41.5 | Very low | 44.6 | Very low | 125 Ų | 125 | 105 Ų | 105 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | trans | -47.7 | 125.4 | 170.7 | -79.8 | -79.1 | 0 | 0 | 0 | 109.4 | P154 G549 K553 | P154-H551 WeakPolarHBondContact CB-NE2 3.23Å; G549-H551 PolarHBondContact O-N 2.95Å; H551-K553 PolarHBondContact O-N 3.48Å | ||
| 552 | R | 39.2 | Very low | 42.2 | Very low | 221 Ų | 221 | 107.2 Ų | 107.2 | 83% | 0.834 | 59% | 0.585 | S | S | * | * | trans | -54.8 | 102.5 | 165.4 | -77.1 | -175.1 | 176 | 176.9 | -1.7 | 107.7 | I550 H554 | I550-R552 PolarHBondContact O-N 3.41Å; R552-H554 PolarHBondContact O-N 3.08Å | ||
| 553 | K | 45.8 | Very low | 39.6 | Very low | 57 Ų | 57 | 111.8 Ų | 111.8 | 25% | 0.248 | 60% | 0.6 | C | S | . | * | trans | -76.4 | 94.7 | 174.5 | -64.2 | -168.9 | -174.2 | -169.1 | 0 | 106.9 | N190 C527 H551 | N190-K553 PolarHBondContact OD1-NZ 3.02Å; C527-K553 HydrophobicContact CB-CB 3.67Å; C527-K553 HydrophobicContact CB-CD 4.2Å; C527-K553 PolarHBondContact SG-O 3.04Å; H551-K553 PolarHBondContact O-N 3.48Å | ||
| 554 | H | 41.9 | Very low | 37 | Very low | 104 Ų | 104 | 111.1 Ų | 111.1 | 48% | 0.481 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -90.7 | 142 | 174.6 | -158.4 | -77.2 | 0 | 0 | 0 | 109.6 | R552 | R552-H554 PolarHBondContact O-N 3.08Š|
| 555 | L | 41.2 | Very low | 34.9 | Very low | 8 Ų | 8 | 111.6 Ų | 111.6 | 4% | 0.042 | 63% | 0.634 | C | S | . | * | P | Polyproline II helix | trans | -59.8 | 148.5 | 167.9 | -71.5 | 163.4 | 0 | 0 | 0 | 109.7 | K227 E230 D523 I526 I557 | K227-L555 HydrophobicContact CG-CD2 4.34Å; E230-L555 HydrophobicContact CG-CD1 4.11Å; E230-L555 HydrophobicContact CG-CD2 3.95Å; E230-L555 HydrophobicContact CG-CG 4.41Å; D523-L555 HydrophobicContact CB-CD1 3.67Å; D523-L555 HydrophobicContact CB-CG 4.29Å; I526-L555 HydrophobicContact CG2-CD2 4.47Å; L555-I557 PolarHBondContact O-N 3.27Å |
| 556 | P | 36.4 | Very low | 33.8 | Very low | 38 Ų | 38 | 110.2 Ų | 110.2 | 25% | 0.247 | 63% | 0.633 | C | S | . | * | P | Polyproline II helix | trans | -57.9 | 129.1 | 179.4 | -23.2 | 34.4 | 0 | 0 | 0 | 111.6 | L231 | L231-P556 HydrophobicContact CD1-CG 4.09Å; L231-P556 HydrophobicContact CD2-CB 3.42Å; L231-P556 VanDerWaalsContact CD2-CB 3.42Å; L231-P556 HydrophobicContact CD2-CG 3.74Å; L231-P556 HydrophobicContact CG-CB 4.06Å; L231-P556 HydrophobicContact CG-CG 3.85Å |
| 557 | I | 32.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 111.8 Ų | 111.8 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 126.7 | 179.5 | -59.4 | 169.6 | 0 | 0 | 0 | 109 | L555 H559 | L555-I557 PolarHBondContact O-N 3.27Å; I557-H559 PolarHBondContact O-N 3.47Å |
| 558 | H | 29.8 | Very low | 32.4 | Very low | 169 Ų | 169 | 114.3 Ų | 114.3 | 78% | 0.782 | 65% | 0.646 | S | S | * | * | trans | -70.1 | 109.1 | 177.9 | -170 | 25.9 | 0 | 0 | 0 | 110.9 | G560 | H558-G560 PolarHBondContact O-N 2.6Å; H558-G560 VanDerWaalsContact O-N 3.16Å | ||
| 559 | H | 30 | Very low | 32.1 | Very low | 181 Ų | 181 | 111.6 Ų | 111.6 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | trans | -75.1 | 98.9 | 162.5 | -90.8 | -63.4 | 0 | 0 | 0 | 108.8 | I557 | I557-H559 PolarHBondContact O-N 3.47Š| ||
| 560 | G | 25.4 | Very low | 31.3 | Very low | 51 Ų | 51 | 113.5 Ų | 113.5 | 53% | 0.526 | 66% | 0.663 | S | S | . | * | trans | -62.1 | 131.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | H558 | H558-G560 PolarHBondContact O-N 2.6Å; H558-G560 VanDerWaalsContact O-N 3.16Å | ||
| 561 | S | 26.6 | Very low | 30.5 | Very low | 121 Ų | 121 | 116.1 Ų | 116.1 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | trans | -50.2 | 130.3 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 562 | T | 26.3 | Very low | 29.6 | Very low | 149 Ų | 149 | 116.1 Ų | 116.1 | 91% | 0.914 | 69% | 0.692 | S | S | * | * | trans | -136.2 | 150.2 | 155.9 | 22.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 563 | D | 24.9 | Very low | 28.9 | Very low | 161 Ų | 161 | 111.6 Ų | 111.6 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | trans | -62.5 | 160.3 | -157.5 | -133.1 | -23.4 | 0 | 0 | 0 | 116.3 | ||||
| 564 | A | 24.6 | Very low | 27.7 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -68.5 | 137.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 565 | G | 23.1 | Very low | 26.8 | Very low | 75 Ų | 75 | 114.7 Ų | 114.7 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -177 | 98.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 566 | D | 23 | Very low | 26.1 | Very low | 169 Ų | 169 | 122.3 Ų | 122.3 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | 27.7 | 140.5 | 156.5 | -111.6 | -19.6 | 0 | 0 | 0 | 124 | ||||
| 567 | S | 22.3 | Very low | 25.5 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -74.7 | -179.2 | -178.9 | -59.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 568 | P | 30.7 | Very low | 25.1 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | -142 | 173.8 | 11 | 38.9 | -16.2 | 0 | 0 | 0 | 118.4 | ||||
| 569 | V | 29.2 | Very low | 24.8 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | -17.9 | 129.1 | 165.8 | -177.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 570 | G | 22.5 | Very low | 24.5 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -158.5 | 117.7 | 163 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 571 | T | 23.5 | Very low | 24.5 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | -57.1 | 135.3 | 170.8 | 40.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 572 | T | 21.6 | Very low | 24.4 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 83% | 0.829 | S | S | * | * | 155.3 | 132.9 | 127 | 46.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 573 | T | 24.5 | Very low | 24.4 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | 51.3 | 104.5 | 145.7 | 58.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 574 | A | 22.5 | Very low | 24.5 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -96.1 | 107.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 575 | T | 23.2 | Very low | 24.6 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | trans | -64.3 | 146.6 | 163 | 40.8 | 0 | 0 | 0 | 0 | 112 | L577 | T575-L577 PolarHBondContact O-N 3.47Š| ||
| 576 | N | 25.8 | Very low | 25.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -44.9 | 124.2 | 161.8 | -91.6 | -16.7 | 0 | 0 | 0 | 111.2 | ||||
| 577 | L | 23.8 | Very low | 25.5 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -133.7 | 129.9 | 157.3 | -82.8 | 167.3 | 0 | 0 | 0 | 108.6 | T575 | T575-L577 PolarHBondContact O-N 3.47Š| ||
| 578 | E | 23.7 | Very low | 26.1 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 144 | -167.4 | -64.4 | 156.2 | 136.8 | 0 | 0 | 113.1 | ||
| 579 | Q | 23 | Very low | 26.3 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 143.1 | 161.6 | -75.7 | 176.9 | -12 | 0 | 0 | 109.8 | Q581 | Q579-Q581 PolarHBondContact O-N 2.82Š|
| 580 | P | 25.4 | Very low | 26.4 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 121 | 175.9 | 26.5 | -31.7 | 0 | 0 | 0 | 111.3 | V582 | P580-V582 PolarHBondContact O-N 3.5Š|
| 581 | Q | 23.6 | Very low | 26.9 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 121.3 | 169.8 | -88.2 | 177.7 | -43.5 | 0 | 0 | 110.9 | Q579 | Q579-Q581 PolarHBondContact O-N 2.82Š|
| 582 | V | 24.6 | Very low | 27.3 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -97 | 130.8 | 158.9 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | P580 | P580-V582 PolarHBondContact O-N 3.5Š|
| 583 | I | 26.5 | Very low | 27.7 | Very low | 156 Ų | 156 | 142 Ų | 142 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 124.5 | -176.3 | -61.2 | 156.1 | 0 | 0 | 0 | 110.7 | ||
| 584 | P | 26.9 | Very low | 28 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 134 | 168 | -2.5 | 18.2 | 0 | 0 | 0 | 110.7 | ||
| 585 | S | 28.1 | Very low | 28.5 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 130.7 | 170.4 | 40.2 | 0 | 0 | 0 | 0 | 111.7 | G587 | S585-G587 PolarHBondContact O-N 3.34Š|
| 586 | Q | 32.2 | Very low | 28.8 | Very low | 203 Ų | 203 | 148 Ų | 148 | 95% | 0.949 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -65 | 118.2 | -177.7 | -70.6 | 176.9 | -25.5 | 0 | 0 | 111.7 | ||
| 587 | G | 31.7 | Very low | 28.8 | Very low | 65 Ų | 65 | 147.8 Ų | 147.8 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -161.5 | -34.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | S585 | S585-G587 PolarHBondContact O-N 3.34Š|
| 588 | D | 35.9 | Very low | 29 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -113.5 | 22.5 | -170.7 | -78 | -29.7 | 0 | 0 | 0 | 115.5 | ||
| 589 | L | 34.6 | Very low | 29.1 | Very low | 138 Ų | 138 | 142 Ų | 142 | 72% | 0.723 | 81% | 0.812 | S | S | * | * | trans | -110 | 25.3 | -169.7 | -120.9 | 145.1 | 0 | 0 | 0 | 115.2 | ||||
| 590 | L | 30.6 | Very low | 29.4 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -108.9 | -5.9 | 176.9 | -141.2 | 81.4 | 0 | 0 | 0 | 114.6 | ||
| 591 | G | 33.5 | Very low | 29.4 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -83.8 | -16.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 592 | D | 32.1 | Very low | 29.5 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -111.7 | 12.8 | -164.6 | -138 | 12.7 | 0 | 0 | 0 | 114 | ||
| 593 | L | 29.3 | Very low | 29.4 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -111.2 | 18.3 | -173.4 | -89.2 | 167.6 | 0 | 0 | 0 | 115.3 | ||
| 594 | L | 30.9 | Very low | 29.1 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -117 | 8.5 | 177 | -73.6 | 175.4 | 0 | 0 | 0 | 115.8 | ||
| 595 | N | 32.8 | Very low | 29 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -122.4 | 56.9 | 174.6 | -84.7 | -13.2 | 0 | 0 | 0 | 113.2 | ||||
| 596 | L | 30.5 | Very low | 28.8 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -116.2 | 86.4 | 163.9 | -112.8 | 117.7 | 0 | 0 | 0 | 109.4 | ||||
| 597 | D | 25.1 | Very low | 28.2 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -100.9 | 138.1 | 160 | -166.3 | 16.8 | 0 | 0 | 0 | 109.9 | ||||
| 598 | L | 27.5 | Very low | 27.8 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -96.1 | 124.3 | -163.4 | -75.1 | 151.4 | 0 | 0 | 0 | 111.1 | ||||
| 599 | G | 27.1 | Very low | 27.1 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -154.9 | 138.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 600 | P | 27.8 | Very low | 26.5 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -87.2 | 164.6 | -172.3 | 32.2 | -26.8 | 0 | 0 | 0 | 114 | ||||
| 601 | P | 27.1 | Very low | 26.1 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -96.9 | 147.5 | -157.6 | 36.5 | -32.5 | 0 | 0 | 0 | 114.3 | ||||
| 602 | V | 24.3 | Very low | 25.5 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -147.9 | 108.9 | 161.2 | -155.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 603 | N | 22 | Very low | 25.1 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | 18.3 | 138.8 | 137.4 | -99.3 | 24.6 | 0 | 0 | 0 | 119.9 | ||||
| 604 | V | 21.6 | Very low | 24.7 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | cis | -170.7 | -165.7 | 15 | -144.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 605 | P | 24.7 | Very low | 24.4 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | -112.6 | 176.3 | -69.3 | 21.9 | 2.1 | 0 | 0 | 0 | 115.3 | |||||
| 606 | Q | 23.6 | Very low | 24 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -58.4 | 147.5 | 176.8 | -65.1 | 170.9 | -67.4 | 0 | 0 | 117 | ||||
| 607 | V | 20.2 | Very low | 23.6 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -150.9 | 140.9 | 136.5 | -170.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 608 | S | 21.9 | Very low | 23.6 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -73.8 | 153.4 | -175.9 | -19.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 609 | S | 21.2 | Very low | 23.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 179.5 | 144.8 | 134.4 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 610 | M | 22.7 | Very low | 23.6 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 86% | 0.862 | 82% | 0.822 | S | S | * | * | trans | -45 | 158.4 | 174.4 | -66.7 | 160.4 | 132.7 | 0 | 0 | 117.1 | ||||
| 611 | Q | 21.4 | Very low | 23.3 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | 156.4 | 128.8 | 94.7 | -149.2 | 167.7 | 2.1 | 0 | 0 | 115.2 | |||||
| 612 | M | 21.2 | Very low | 23.2 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | 42.8 | 141.3 | 147.4 | -73.4 | -135.6 | -76.7 | 0 | 0 | 126.6 | ||||
| 613 | G | 23.6 | Very low | 23.3 | Very low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | trans | 149.4 | 77.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 614 | A | 21.9 | Very low | 23.7 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | 50.4 | 99.9 | 88.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 615 | V | 24.6 | Very low | 23.8 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -125.9 | 123.4 | 163.5 | -169.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 616 | D | 23.2 | Very low | 23.9 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | trans | -71.4 | 125.8 | -174.6 | -166.9 | 11.2 | 0 | 0 | 0 | 111.3 | ||||
| 617 | L | 23.6 | Very low | 23.9 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 68% | 0.681 | 84% | 0.836 | S | S | * | * | trans | -122.5 | 138.9 | -178 | -175.1 | 77 | 0 | 0 | 0 | 107.2 | ||||
| 618 | L | 25.4 | Very low | 24.2 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | 101.6 | 125.6 | 161.6 | -51.2 | 177.9 | 0 | 0 | 0 | 118.6 | ||||
| 619 | G | 26.3 | Very low | 24.4 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 155.7 | 117.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 620 | G | 26.5 | Very low | 24.6 | Very low | 86 Ų | 86 | 135 Ų | 135 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | cis | 177.3 | 171.8 | 6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 621 | G | 22.6 | Very low | 24.6 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -161.1 | 91 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 622 | L | 24.8 | Very low | 24.7 | Very low | 179 Ų | 179 | 126.2 Ų | 126.2 | 94% | 0.937 | 84% | 0.836 | S | S | * | * | trans | -150.4 | 80.9 | 172.2 | -88.8 | 170.6 | 0 | 0 | 0 | 108.2 | ||||
| 623 | D | 26.5 | Very low | 24.7 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | -149.3 | 72.8 | 166.5 | -154.8 | 18.2 | 0 | 0 | 0 | 111.6 | ||||
| 624 | S | 29.3 | Very low | 24.7 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -155.2 | 68.5 | 163 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 625 | L | 24.4 | Very low | 24.7 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 74% | 0.743 | 84% | 0.839 | S | S | * | * | trans | -154.9 | 44.8 | 173.5 | -117.5 | 167.4 | 0 | 0 | 0 | 113.6 | ||||
| 626 | L | 26.6 | Very low | 24.5 | Very low | 166 Ų | 166 | 122.6 Ų | 122.6 | 87% | 0.869 | 84% | 0.839 | S | S | * | * | trans | -146.4 | 107.2 | 162.7 | -76.9 | 178.7 | 0 | 0 | 0 | 112.6 | ||||
| 627 | G | 24.3 | Very low | 24.4 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | 142.3 | 83 | 143.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 628 | S | 25.9 | Very low | 25.1 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -107.9 | 138 | 158 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 629 | D | 26.9 | Very low | 24.9 | Very low | 152 Ų | 152 | 116.6 Ų | 116.6 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | trans | 93.1 | 134.8 | 136.1 | -123.4 | -3.9 | 0 | 0 | 0 | 122.8 | ||||
| 630 | L | 25.3 | Very low | 24.8 | Very low | 175 Ų | 175 | 119.6 Ų | 119.6 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | trans | -167.6 | 94.7 | 149.5 | -110 | 153.5 | 0 | 0 | 0 | 111.9 | ||||
| 631 | G | 23.2 | Very low | 24.5 | Very low | 76 Ų | 76 | 118.6 Ų | 118.6 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | 57.5 | 142.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 632 | G | 23.4 | Very low | 24.6 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | cis | 148.3 | 128.8 | 6.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 633 | G | 21.1 | Very low | 24.5 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 109.8 | 113.1 | 146.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 634 | I | 23.6 | Very low | 24.3 | Very low | 181 Ų | 181 | 121.1 Ų | 121.1 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | 91.4 | 107.7 | 137.4 | -39.7 | 164.6 | 0 | 0 | 0 | 119.9 | ||||
| 635 | G | 21.1 | Very low | 24.2 | Very low | 76 Ų | 76 | 122.4 Ų | 122.4 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | 110.7 | 104 | 122.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 636 | G | 21.2 | Very low | 24.3 | Very low | 83 Ų | 83 | 121.3 Ų | 121.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 88.6 | 109 | 134.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 637 | S | 21.2 | Very low | 24.2 | Very low | 119 Ų | 119 | 118.4 Ų | 118.4 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -77.3 | 175.4 | 148.6 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 638 | P | 37.1 | Very low | 24.1 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | cis | -141.3 | 175.6 | 10.9 | 37.9 | -16.9 | 0 | 0 | 0 | 116.7 | ||||
| 639 | A | 21.6 | Very low | 24.1 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | 145.3 | 120.6 | 123.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 640 | V | 24 | Very low | 24.1 | Very low | 149 Ų | 149 | 120 Ų | 120 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | 51.2 | 117.1 | 127.7 | -169.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 641 | G | 21.3 | Very low | 24 | Very low | 65 Ų | 65 | 115.6 Ų | 115.6 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | 105.9 | 118.1 | 116.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 642 | Q | 24 | Very low | 23.9 | Very low | 186 Ų | 186 | 118.1 Ų | 118.1 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | 82.2 | 108.5 | 136.1 | -75.3 | -164.9 | -17.6 | 0 | 0 | 123.3 | ||||
| 643 | S | 22.4 | Very low | 23.8 | Very low | 86 Ų | 86 | 124 Ų | 124 | 60% | 0.601 | 80% | 0.798 | S | S | * | * | 92 | 141.2 | 108.9 | -49 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 644 | F | 21.7 | Very low | 23.8 | Very low | 201 Ų | 201 | 124.6 Ų | 124.6 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 98.8 | 135.7 | 140.2 | -81.8 | -70 | 0 | 0 | 0 | 123.1 | ||||
| 645 | I | 27.6 | Very low | 24.1 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -95.3 | 164.2 | -179.5 | -45.4 | 162.7 | 0 | 0 | 0 | 109.9 | ||||
| 646 | P | 27.2 | Very low | 24.2 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | -145.5 | 136.2 | 112.4 | 28.7 | -8.9 | 0 | 0 | 0 | 114 | |||||
| 647 | S | 23.4 | Very low | 24.4 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | 78.5 | 120.4 | 83 | -67.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 648 | S | 24.1 | Very low | 24.5 | Very low | 125 Ų | 125 | 126 Ų | 126 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | 164.3 | 151.2 | 116.9 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 649 | V | 24.2 | Very low | 24.3 | Very low | 135 Ų | 135 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -110.3 | 172.8 | -159.8 | -134.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 650 | P | 26.8 | Very low | 24.2 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -154.1 | 172.6 | 70.4 | 36.8 | -12.5 | 0 | 0 | 0 | 118.9 | |||||
| 651 | A | 23.9 | Very low | 24.2 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | -84.8 | 172 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 652 | T | 20.9 | Very low | 24.3 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 173.1 | 134.4 | 132.6 | 29.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 653 | F | 22 | Very low | 24.3 | Very low | 207 Ų | 207 | 125.4 Ų | 125.4 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | 75.3 | 137 | 148.9 | -77.6 | -104.2 | 0 | 0 | 0 | 125.6 | ||||
| 654 | A | 20.3 | Very low | 24.4 | Very low | 85 Ų | 85 | 127 Ų | 127 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | -104.9 | -171.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 655 | P | 29.8 | Very low | 24.5 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | cis | -133.3 | -168.6 | -9.8 | 37.4 | -14.9 | 0 | 0 | 0 | 114.9 | ||||
| 656 | S | 22.9 | Very low | 24.4 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -57.4 | 170.5 | -177.1 | 44.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 657 | P | 25.3 | Very low | 24.2 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | -147.4 | 155.7 | 103 | 38.3 | -21.4 | 0 | 0 | 0 | 116.8 | |||||
| 658 | T | 24.6 | Very low | 24.6 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -88.4 | -178 | 158.6 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 659 | P | 32.3 | Very low | 24.7 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | cis | -143.2 | -174.1 | 8.1 | 38.9 | -16.3 | 0 | 0 | 0 | 116.6 | ||||
| 660 | A | 20.6 | Very low | 24.8 | Very low | 90 Ų | 90 | 128 Ų | 128 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 124.8 | 105.6 | 139 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 661 | V | 23.7 | Very low | 24.8 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | 18.5 | 125 | 128.9 | -164.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 662 | V | 22.7 | Very low | 25 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | 178.3 | 151.9 | 112.7 | -85.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 663 | S | 23.3 | Very low | 25.2 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 164.3 | -176.1 | 53.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 664 | S | 24.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | 110.4 | 108.5 | 142.5 | -169.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 665 | G | 24.4 | Very low | 25.7 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | 84.8 | 118.2 | 112 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 666 | L | 25.1 | Very low | 25.7 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | 89.1 | 114.6 | 152.7 | -64.5 | 164.2 | 0 | 0 | 0 | 119 | ||||
| 667 | N | 23.1 | Very low | 25.8 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 68% | 0.684 | 81% | 0.806 | S | S | * | * | 93.3 | 106.6 | 127 | -87.4 | 28.5 | 0 | 0 | 0 | 120.9 | |||||
| 668 | D | 31.5 | Very low | 25.8 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | 72.4 | 58.8 | 98.6 | -144.5 | 20 | 0 | 0 | 0 | 116 | |||||
| 669 | L | 27.2 | Very low | 26.2 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -154.4 | 25.8 | 169.1 | -147.5 | 83.1 | 0 | 0 | 0 | 116.6 | ||||
| 670 | F | 26.2 | Very low | 26.4 | Very low | 208 Ų | 208 | 131 Ų | 131 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -144.4 | 28.2 | 172.8 | -91.4 | -77.8 | 0 | 0 | 0 | 114.8 | ||||
| 671 | E | 27.4 | Very low | 27.9 | Very low | 183 Ų | 183 | 130 Ų | 130 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -92.4 | 90.3 | 150 | -88.9 | -167.2 | 158.1 | 0 | 0 | 108.6 | ||||
| 672 | L | 27.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -172.4 | 125.8 | 140.3 | -126.5 | 86.5 | 0 | 0 | 0 | 110.8 | ||||
| 673 | S | 25.1 | Very low | 32.4 | Very low | 110 Ų | 110 | 121 Ų | 121 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 71 | 99.1 | 175 | 78.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 674 | T | 27.3 | Very low | 35.1 | Very low | 137 Ų | 137 | 119.3 Ų | 119.3 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | -150.3 | 109.6 | 68.6 | 38.6 | 0 | 0 | 0 | 0 | 111.6 | I676 | T674-I676 PolarHBondContact O-N 2.93Š| |||
| 675 | G | 25.1 | Very low | 37.7 | Very low | 82 Ų | 82 | 114.5 Ų | 114.5 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | trans | -76.8 | 117.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 676 | I | 29.9 | Very low | 40.4 | Very low | 166 Ų | 166 | 116.4 Ų | 116.4 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -119.9 | 116.5 | 149.4 | -62.6 | 179.4 | 0 | 0 | 0 | 105 | T674 M678 | T674-I676 PolarHBondContact O-N 2.93Å; I676-M678 PolarHBondContact O-N 3.47Å | ||
| 677 | G | 25.2 | Very low | 43.2 | Very low | 80 Ų | 80 | 114 Ų | 114 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 126.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 678 | M | 26.8 | Very low | 46.3 | Very low | 190 Ų | 190 | 110.2 Ų | 110.2 | 94% | 0.936 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 124.4 | 159 | -106.1 | 149.6 | 65.2 | 0 | 0 | 108.6 | I676 | I676-M678 PolarHBondContact O-N 3.47Š|
| 679 | A | 31.3 | Very low | 49.1 | Very low | 86 Ų | 86 | 107.8 Ų | 107.8 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 153.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G681 | A679-G681 PolarHBondContact O-N 3.26Š|
| 680 | P | 36.6 | Very low | 52.2 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 68% | 0.675 | 63% | 0.628 | S | S | * | * | trans | -65.2 | 111.6 | -179.3 | 26.9 | -32.2 | 0 | 0 | 0 | 109.6 | ||||
| 681 | G | 52.8 | Low | 55.2 | Low | 70 Ų | 70 | 92.9 Ų | 92.9 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | trans | -72.8 | 137.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A679 | A679-G681 PolarHBondContact O-N 3.26Š| ||
| 682 | G | 63.6 | Low | 58.2 | Low | 31 Ų | 31 | 86.8 Ų | 86.8 | 32% | 0.32 | 56% | 0.563 | S | S | . | * | trans | -62.3 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V684 | G682-V684 PolarHBondContact O-N 3.15Š| ||
| 683 | Y | 76.6 | Confident | 61 | Low | 55 Ų | 55 | 79.7 Ų | 79.7 | 22% | 0.216 | 53% | 0.528 | C | S | . | . | trans | -62 | 130.5 | 179.6 | 172.1 | -102.9 | 0 | 0 | 0 | 110.9 | N799 N847 I910 N913 | Y683-N799 PolarHBondContact O-ND2 3.4Å; Y683-N799 VanDerWaalsContact O-ND2 3.15Å; Y683-N847 WeakPolarHBondContact CB-OD1 3.43Å; Y683-N847 PolarHBondContact N-OD1 3.3Å; Y683-I910 HydrophobicContact CD1-CG1 4.08Å; Y683-I910 HydrophobicContact CG-CG1 4.19Å; Y683-N913 HydrophobicContact CD2-CB 3.96Å; Y683-N913 HydrophobicContact CE2-CB 3.65Å; Y683-N913 WeakPolarHBondContact CE2-ND2 3.43Å | ||
| 684 | V | 80.1 | Confident | 63.8 | Low | 75 Ų | 75 | 81.2 Ų | 81.2 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | trans | -117 | 125.8 | 175.5 | 173.5 | 0 | 0 | 0 | 0 | 108.5 | G682 T704 T706 | G682-V684 PolarHBondContact O-N 3.15Å; V684-T704 HydrophobicContact CG1-CG2 4.24Å; V684-T706 HydrophobicContact CG1-CG2 3.66Å; V684-T706 HydrophobicContact CG2-CG2 4.03Å | ||
| 685 | A | 78.9 | Confident | 66.4 | Low | 20 Ų | 20 | 83.1 Ų | 83.1 | 17% | 0.165 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 146.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T704 P797 | A685-T704 WeakPolarHBondContact O-CB 3.16Å; A685-T704 PolarHBondContact O-OG1 2.86Å; A685-P797 HydrophobicContact CB-CG 4.12Å |
| 686 | P | 81.1 | Confident | 69.1 | Low | 103 Ų | 103 | 79.2 Ų | 79.2 | 67% | 0.669 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 149.8 | 176.8 | 26.2 | -34 | 0 | 0 | 0 | 111.6 | A688 | P686-A688 PolarHBondContact O-N 2.83Š|
| 687 | K | 85 | Confident | 71.7 | Confident | 111 Ų | 111 | 77.7 Ų | 77.7 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -62 | 126.7 | 176.1 | -70.9 | -173.6 | 178 | -174.7 | 0 | 109.8 | G703 T704 D759 | K687-G703 WeakPolarHBondContact CA-O 3.06Å; K687-T704 HydrophobicContact CG-CG2 3.99Å; K687-D759 IonicContact NZ-OD1 2.66Å; K687-D759 PolarHBondContact NZ-OD1 3.4Å |
| 688 | A | 87.6 | Confident | 74.5 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 41% | 0.405 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 150.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P686 W690 S702 G703 | P686-A688 PolarHBondContact O-N 2.83Å; A688-W690 PolarHBondContact O-N 3.32Å; A688-S702 CarbonylContact O-C 3.6Å; A688-S702 WeakPolarHBondContact O-CA 3.49Å; A688-S702 WeakPolarHBondContact O-CB 3.48Å; A688-G703 PolarHBondContact N-O 3Å; A688-G703 PolarHBondContact O-N 2.96Å |
| 689 | V | 90.2 | Very high | 77.5 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 114.3 | 172.9 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | P692 E700 | V689-P692 HydrophobicContact CG1-CG 4.43Å; V689-E700 HydrophobicContact CG1-CG 4.32Å |
| 690 | W | 91.8 | Very high | 80.4 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -35.3 | -179.8 | -62.8 | -30.7 | 0 | 0 | 0 | 112.3 | A688 I701 G703 F705 M714 M716 F792 C794 | A688-W690 PolarHBondContact O-N 3.32Å; W690-I701 HydrophobicContact CE3-CG2 4.43Å; W690-I701 PolarHBondContact N-O 3.12Å; W690-G703 WeakPolarHBondContact CZ2-O 3.37Å; W690-F705 HydrophobicContact CH2-CD2 4.38Å; W690-F705 AromaticContact CH2-CE2 3.89Å; W690-F705 HydrophobicContact CH2-CE2 3.89Å; W690-F705 HydrophobicContact CH2-CZ 4.1Å; W690-F705 HydrophobicContact CZ2-CD2 4.08Å; W690-F705 AromaticContact CZ2-CE2 3.59Å; W690-F705 HydrophobicContact CZ2-CE2 3.59Å; W690-F705 HydrophobicContact CZ2-CZ 4.21Å; W690-M714 HydrophobicContact CE3-CE 3.78Å; W690-M714 HydrophobicContact CH2-CE 3.74Å; W690-M714 HydrophobicContact CH2-CG 3.94Å; W690-M714 HydrophobicContact CZ3-CE 3.15Å; W690-M714 HydrophobicContact CZ3-CG 4Å; W690-M714 HydrophobicContact CZ3-SD 4.39Å; W690-M716 HydrophobicContact CE3-CG 4.49Å; W690-M716 HydrophobicContact CZ3-CG 3.74Å; W690-F792 HydrophobicContact CB-CD2 3.64Å; W690-F792 HydrophobicContact CB-CE2 3.78Å; W690-F792 HydrophobicContact CD2-CE2 4.21Å; W690-F792 AromaticContact CE3-CE2 3.83Å; W690-F792 HydrophobicContact CE3-CE2 3.83Å; W690-F792 HydrophobicContact CE3-CZ 4.32Å; W690-F792 HydrophobicContact CG-CD2 4.43Å; W690-F792 HydrophobicContact CG-CE2 4.26Å; W690-C794 HydrophobicContact CD2-CB 3.79Å; W690-C794 HydrophobicContact CE3-CB 4.48Å; W690-C794 HydrophobicContact CG-CB 3.82Å; W690-C794 HydrophobicContact CZ2-CB 4.31Å |
| 691 | L | 90.1 | Very high | 83 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 106.9 | 177.8 | -174.3 | 60.9 | 0 | 0 | 0 | 110.1 | K695 A696 E700 I701 F790 F792 | L691-K695 HydrophobicContact CD1-CB 4.48Å; L691-A696 HydrophobicContact CD1-CB 3.97Å; L691-A696 HydrophobicContact CD2-CB 3.54Å; L691-A696 HydrophobicContact CG-CB 3.67Å; L691-E700 WeakPolarHBondContact O-CA 3.47Å; L691-I701 HydrophobicContact CB-CB 3.97Å; L691-I701 HydrophobicContact CB-CD1 4.4Å; L691-I701 HydrophobicContact CB-CG1 4.23Å; L691-I701 HydrophobicContact CD2-CD1 3.81Å; L691-I701 HydrophobicContact CD2-CG1 4.19Å; L691-I701 PolarHBondContact N-O 2.75Å; L691-I701 PolarHBondContact O-N 3.24Å; L691-F790 HydrophobicContact CD2-CB 3.82Å; L691-F790 HydrophobicContact CD2-CG 4.41Å; L691-F792 HydrophobicContact CB-CB 4.27Å; L691-F792 HydrophobicContact CB-CD1 4.35Å; L691-F792 HydrophobicContact CB-CG 4.35Å; L691-F792 HydrophobicContact CD1-CB 4.25Å; L691-F792 HydrophobicContact CD2-CD1 4.27Å |
| 692 | P | 90.4 | Very high | 84.9 | Confident | 54 Ų | 54 | 56.1 Ų | 56.1 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | trans | -70.9 | 143.2 | 175.5 | -19.4 | 32.5 | 0 | 0 | 0 | 112.5 | V689 V694 K695 | V689-P692 HydrophobicContact CG1-CG 4.43Å; P692-V694 PolarHBondContact O-N 3Å; P692-K695 PolarHBondContact O-N 3.3Å | ||
| 693 | A | 85.8 | Confident | 86.2 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 13% | 0.132 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -53.1 | -33.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K695 A696 G698 L699 E700 K721 | A693-K695 VanDerWaalsContact C-N 3.27Å; A693-K695 PolarHBondContact O-N 3.3Å; A693-A696 PolarHBondContact O-N 3.3Å; A693-G698 PolarHBondContact O-N 3.34Å; A693-L699 WeakPolarHBondContact CA-O 3.46Å; A693-E700 HydrophobicContact CB-CB 4.16Å; A693-K721 HydrophobicContact CB-CB 4.43Å; A693-K721 HydrophobicContact CB-CD 3.97Å |
| 694 | V | 83.3 | Confident | 87 | Confident | 143 Ų | 143 | 52.6 Ų | 52.6 | 87% | 0.867 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -62.6 | -35 | -178.8 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | P692 | P692-V694 PolarHBondContact O-N 3Š|
| 695 | K | 81.4 | Confident | 87.5 | Confident | 176 Ų | 176 | 49.2 Ų | 49.2 | 77% | 0.765 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -88 | -9.8 | -177.3 | -66.9 | -170.8 | 176.4 | -174.5 | 0 | 113.4 | L691 P692 A693 | L691-K695 HydrophobicContact CD1-CB 4.48Å; P692-K695 PolarHBondContact O-N 3.3Å; A693-K695 VanDerWaalsContact C-N 3.27Å; A693-K695 PolarHBondContact O-N 3.3Å |
| 696 | A | 83.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 38.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L691 A693 G698 L699 F790 | L691-A696 HydrophobicContact CD1-CB 3.97Å; L691-A696 HydrophobicContact CD2-CB 3.54Å; L691-A696 HydrophobicContact CG-CB 3.67Å; A693-A696 PolarHBondContact O-N 3.3Å; A696-G698 PolarHBondContact O-N 3.1Å; A696-L699 HydrophobicContact CB-CB 4.24Å; A696-L699 VanDerWaalsContact CB-O 3.32Å; A696-L699 WeakPolarHBondContact CB-O 3.39Å; A696-L699 PolarHBondContact O-N 2.91Å; A696-F790 HydrophobicContact CB-CD1 3.65Å; A696-F790 HydrophobicContact CB-CE1 3.91Å; A696-F790 HydrophobicContact CB-CG 4.05Å; A696-F790 WeakPolarHBondContact O-CZ 3.38Å |
| 697 | K | 83.6 | Confident | 88 | Confident | 134 Ų | 134 | 46.5 Ų | 46.5 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36 | 174.9 | -62.4 | 175.5 | 178.4 | 167.3 | 0 | 112.9 | I787 D788 F790 | K697-I787 HydrophobicContact CD-CG2 4.22Å; K697-D788 IonicContact NZ-OD2 2.63Å; K697-D788 PolarHBondContact NZ-OD2 3.03Å; K697-F790 HydrophobicContact CB-CE1 4.39Å; K697-F790 HydrophobicContact CB-CZ 4.33Å; K697-F790 HydrophobicContact CD-CE1 4.48Å; K697-F790 HydrophobicContact CG-CE1 4.42Å |
| 698 | G | 84.4 | Confident | 87.7 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | -4.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | A693 A696 K721 | A693-G698 PolarHBondContact O-N 3.34Å; A696-G698 PolarHBondContact O-N 3.1Å; G698-K721 WeakPolarHBondContact O-CA 3.4Å; G698-K721 WeakPolarHBondContact O-CB 3.43Å; G698-K721 PolarHBondContact O-N 3.42Å |
| 699 | L | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.3 | 172.8 | 179.3 | 62.7 | 0 | 0 | 0 | 111.2 | A693 A696 I701 F718 M726 F729 F790 | A693-L699 WeakPolarHBondContact CA-O 3.46Å; A696-L699 HydrophobicContact CB-CB 4.24Å; A696-L699 VanDerWaalsContact CB-O 3.32Å; A696-L699 WeakPolarHBondContact CB-O 3.39Å; A696-L699 PolarHBondContact O-N 2.91Å; L699-I701 HydrophobicContact CD2-CD1 4.15Å; L699-I701 HydrophobicContact CD2-CG1 4.32Å; L699-I701 HydrophobicContact CG-CG1 4.14Å; L699-F718 HydrophobicContact CD1-CD1 4.3Å; L699-M726 HydrophobicContact CB-CE 3.86Å; L699-M726 HydrophobicContact CB-SD 3.97Å; L699-M726 HydrophobicContact CD1-SD 3.8Å; L699-M726 HydrophobicContact CG-SD 4.33Å; L699-F729 HydrophobicContact CD1-CE1 4.26Å; L699-F729 HydrophobicContact CD2-CE1 4.21Å; L699-F790 HydrophobicContact CD2-CD2 3.98Å; L699-F790 HydrophobicContact CD2-CE2 4.23Å |
| 700 | E | 91.8 | Very high | 85.8 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.1 | 172.4 | -172.9 | 165.5 | 97.7 | 0 | 0 | 110.4 | V689 L691 A693 T719 K721 | V689-E700 HydrophobicContact CG1-CG 4.32Å; L691-E700 WeakPolarHBondContact O-CA 3.47Å; A693-E700 HydrophobicContact CB-CB 4.16Å; E700-T719 PolarHBondContact N-O 2.97Å; E700-T719 PolarHBondContact O-N 3.11Å; E700-K721 IonicContact OE1-NZ 2.98Å; E700-K721 PolarHBondContact OE1-NZ 3.4Å; E700-K721 IonicContact OE2-NZ 3.25Å; E700-K721 PolarHBondContact OE2-NZ 3.19Å |
| 701 | I | 92.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.9 | 176.3 | -51.5 | 176.4 | 0 | 0 | 0 | 108.6 | W690 L691 L699 N717 F718 V783 F792 | W690-I701 HydrophobicContact CE3-CG2 4.43Å; W690-I701 PolarHBondContact N-O 3.12Å; L691-I701 HydrophobicContact CB-CB 3.97Å; L691-I701 HydrophobicContact CB-CD1 4.4Å; L691-I701 HydrophobicContact CB-CG1 4.23Å; L691-I701 HydrophobicContact CD2-CD1 3.81Å; L691-I701 HydrophobicContact CD2-CG1 4.19Å; L691-I701 PolarHBondContact N-O 2.75Å; L691-I701 PolarHBondContact O-N 3.24Å; L699-I701 HydrophobicContact CD2-CD1 4.15Å; L699-I701 HydrophobicContact CD2-CG1 4.32Å; L699-I701 HydrophobicContact CG-CG1 4.14Å; I701-N717 WeakPolarHBondContact CA-O 3.3Å; I701-F718 HydrophobicContact CD1-CD1 4.01Å; I701-F718 HydrophobicContact CD1-CE1 3.63Å; I701-F718 HydrophobicContact CG1-CD1 3.82Å; I701-F718 HydrophobicContact CG1-CE1 3.93Å; I701-F718 HydrophobicContact CG2-CE1 4.35Å; I701-V783 HydrophobicContact CD1-CB 4.27Å; I701-V783 HydrophobicContact CD1-CG1 4.41Å; I701-V783 HydrophobicContact CD1-CG2 4.07Å; I701-F792 HydrophobicContact CD1-CD1 4.35Å; I701-F792 HydrophobicContact CD1-CE1 3.8Å; I701-F792 HydrophobicContact CD1-CZ 4.49Å; I701-F792 HydrophobicContact CG2-CZ 4.4Å |
| 702 | S | 92.1 | Very high | 85.1 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153.9 | 169.3 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | A688 M716 N717 | A688-S702 CarbonylContact O-C 3.6Å; A688-S702 WeakPolarHBondContact O-CA 3.49Å; A688-S702 WeakPolarHBondContact O-CB 3.48Å; S702-M716 CarbonylContact O-C 3.6Å; S702-M716 WeakPolarHBondContact O-CA 3.11Å; S702-N717 PolarHBondContact N-O 3.39Å; S702-N717 PolarHBondContact O-N 3.46Å |
| 703 | G | 91.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K687 A688 W690 E715 | K687-G703 WeakPolarHBondContact CA-O 3.06Å; A688-G703 PolarHBondContact N-O 3Å; A688-G703 PolarHBondContact O-N 2.96Å; W690-G703 WeakPolarHBondContact CZ2-O 3.37Å; G703-E715 CarbonylContact C-O 3.57Å; G703-E715 WeakPolarHBondContact CA-O 3.49Å |
| 704 | T | 91.6 | Very high | 85.4 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 171 | 174.2 | -169.9 | 0 | 0 | 0 | 0 | 110.3 | V684 A685 K687 T706 E715 | V684-T704 HydrophobicContact CG1-CG2 4.24Å; A685-T704 WeakPolarHBondContact O-CB 3.16Å; A685-T704 PolarHBondContact O-OG1 2.86Å; K687-T704 HydrophobicContact CG-CG2 3.99Å; T704-T706 HydrophobicContact CG2-CG2 4.32Å; T704-E715 HydrophobicContact CG2-CB 4.06Å; T704-E715 PolarHBondContact N-O 3.44Å; T704-E715 PolarHBondContact O-N 3.43Å |
| 705 | F | 90.5 | Very high | 85.8 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.2 | 175.7 | -63.9 | -88.9 | 0 | 0 | 0 | 110 | W690 Y713 M714 L764 L779 I796 P797 V800 | W690-F705 HydrophobicContact CH2-CD2 4.38Å; W690-F705 AromaticContact CH2-CE2 3.89Å; W690-F705 HydrophobicContact CH2-CE2 3.89Å; W690-F705 HydrophobicContact CH2-CZ 4.1Å; W690-F705 HydrophobicContact CZ2-CD2 4.08Å; W690-F705 AromaticContact CZ2-CE2 3.59Å; W690-F705 HydrophobicContact CZ2-CE2 3.59Å; W690-F705 HydrophobicContact CZ2-CZ 4.21Å; F705-Y713 WeakPolarHBondContact CA-O 3.4Å; F705-M714 HydrophobicContact CD1-CB 4.22Å; F705-M714 HydrophobicContact CD1-CG 4.33Å; F705-M714 HydrophobicContact CE1-CB 4.06Å; F705-M714 HydrophobicContact CE1-CG 3.85Å; F705-M714 HydrophobicContact CE1-SD 4.22Å; F705-M714 HydrophobicContact CZ-CE 4.38Å; F705-M714 HydrophobicContact CZ-CG 4.33Å; F705-L764 HydrophobicContact CD1-CD1 4.19Å; F705-L764 HydrophobicContact CE1-CD1 4Å; F705-L779 HydrophobicContact CE1-CD2 4.36Å; F705-L779 HydrophobicContact CZ-CD2 4.17Å; F705-I796 HydrophobicContact CE1-CG1 4.25Å; F705-I796 HydrophobicContact CE2-CG1 4.28Å; F705-I796 HydrophobicContact CZ-CG1 3.95Å; F705-P797 VanDerWaalsContact CD2-CD 3.45Å; F705-P797 HydrophobicContact CD2-CG 4.42Å; F705-V800 HydrophobicContact CB-CG1 4.41Å; F705-V800 HydrophobicContact CB-CG2 4.01Å |
| 706 | T | 87.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.8 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 111.1 | V684 T704 Y713 E715 | V684-T706 HydrophobicContact CG1-CG2 3.66Å; V684-T706 HydrophobicContact CG2-CG2 4.03Å; T704-T706 HydrophobicContact CG2-CG2 4.32Å; T706-Y713 PolarHBondContact N-O 3.3Å; T706-Y713 PolarHBondContact O-N 3.12Å; T706-E715 HydrophobicContact CG2-CG 3.96Å |
| 707 | H | 83.4 | Confident | 86.7 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 28% | 0.282 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.8 | 173.5 | -177.2 | -102.9 | 0 | 0 | 0 | 108.6 | G710 V800 | H707-G710 WeakPolarHBondContact NE2-CA 3.49Å; H707-V800 HydrophobicContact CB-CG1 4.22Å |
| 708 | R | 79.1 | Confident | 87.1 | Confident | 133 Ų | 133 | 36.4 Ų | 36.4 | 50% | 0.502 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 125.7 | 179.7 | -57.2 | -175.1 | -169.2 | 166 | 13.6 | 109.7 | G710 H711 Y713 E715 | R708-G710 VanDerWaalsContact C-N 3.3Å; R708-G710 PolarHBondContact O-N 3.21Å; R708-H711 PolarHBondContact N-O 2.86Å; R708-H711 PolarHBondContact O-N 3.43Å; R708-Y713 HydrophobicContact CB-CD2 4.14Å; R708-Y713 HydrophobicContact CB-CE2 3.96Å; R708-Y713 HydrophobicContact CG-CD2 4.4Å; R708-E715 IonicContact CZ-OE1 2.77Å; R708-E715 IonicContact NH1-OE1 3.94Å; R708-E715 IonicContact NH2-OE1 2.72Å; R708-E715 PolarHBondContact NH2-OE1 3.15Å |
| 709 | Q | 67.4 | Low | 87.4 | Confident | 184 Ų | 184 | 36.7 Ų | 36.7 | 86% | 0.86 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 43.2 | 174.1 | -59.2 | 179.9 | -11.4 | 0 | 0 | 113.9 | H711 | Q709-H711 PolarHBondContact O-CD2 2.81Å; Q709-H711 PolarHBondContact O-N 3.44Å |
| 710 | G | 70.1 | Confident | 87.5 | Confident | 42 Ų | 42 | 36.7 Ų | 36.7 | 43% | 0.433 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 3.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H707 R708 | H707-G710 WeakPolarHBondContact NE2-CA 3.49Å; R708-G710 VanDerWaalsContact C-N 3.3Å; R708-G710 PolarHBondContact O-N 3.21Å |
| 711 | H | 79.8 | Confident | 87.3 | Confident | 114 Ų | 114 | 39.6 Ų | 39.6 | 53% | 0.528 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143.6 | 177.9 | -67 | -71.9 | 0 | 0 | 0 | 111.7 | R708 Q709 Y713 | R708-H711 PolarHBondContact N-O 2.86Å; R708-H711 PolarHBondContact O-N 3.43Å; Q709-H711 PolarHBondContact O-CD2 2.81Å; Q709-H711 PolarHBondContact O-N 3.44Å; H711-Y713 HydrophobicContact CB-CD2 4.47Å; H711-Y713 HydrophobicContact CB-CE2 3.71Å |
| 712 | I | 88.8 | Confident | 86.9 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.2 | 178.9 | -60.3 | 173.3 | 0 | 0 | 0 | 108.5 | L764 T766 V800 L801 | I712-L764 HydrophobicContact CB-CB 4.18Å; I712-L764 HydrophobicContact CG2-CB 4.02Å; I712-L764 HydrophobicContact CG2-CD1 4.01Å; I712-L764 HydrophobicContact CG2-CG 4.38Å; I712-L764 PolarHBondContact O-N 2.97Å; I712-T766 HydrophobicContact CD1-CG2 4.21Å; I712-V800 HydrophobicContact CB-CG1 4.08Å; I712-V800 HydrophobicContact CD1-CG1 4.29Å; I712-V800 WeakPolarHBondContact CD1-O 3.26Å; I712-V800 HydrophobicContact CG1-CG1 3.83Å; I712-V800 WeakPolarHBondContact CG1-O 3.32Å; I712-V800 HydrophobicContact CG2-CG1 3.39Å; I712-L801 HydrophobicContact CD1-CD2 3.71Å |
| 713 | Y | 89.7 | Confident | 86.5 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.2 | 177.5 | -66.5 | -92.2 | 0 | 0 | 0 | 110.7 | F705 T706 R708 H711 L762 P763 | F705-Y713 WeakPolarHBondContact CA-O 3.4Å; T706-Y713 PolarHBondContact N-O 3.3Å; T706-Y713 PolarHBondContact O-N 3.12Å; R708-Y713 HydrophobicContact CB-CD2 4.14Å; R708-Y713 HydrophobicContact CB-CE2 3.96Å; R708-Y713 HydrophobicContact CG-CD2 4.4Å; H711-Y713 HydrophobicContact CB-CD2 4.47Å; H711-Y713 HydrophobicContact CB-CE2 3.71Å; Y713-L762 WeakPolarHBondContact CA-O 3.48Å; Y713-P763 HydrophobicContact CD1-CB 4.01Å; Y713-P763 HydrophobicContact CE1-CB 3.75Å |
| 714 | M | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 106.9 | 166.9 | -174.7 | 179.3 | -173.1 | 0 | 0 | 108.3 | W690 F705 M716 F733 L762 L764 V781 F792 | W690-M714 HydrophobicContact CE3-CE 3.78Å; W690-M714 HydrophobicContact CH2-CE 3.74Å; W690-M714 HydrophobicContact CH2-CG 3.94Å; W690-M714 HydrophobicContact CZ3-CE 3.15Å; W690-M714 HydrophobicContact CZ3-CG 4Å; W690-M714 HydrophobicContact CZ3-SD 4.39Å; F705-M714 HydrophobicContact CD1-CB 4.22Å; F705-M714 HydrophobicContact CD1-CG 4.33Å; F705-M714 HydrophobicContact CE1-CB 4.06Å; F705-M714 HydrophobicContact CE1-CG 3.85Å; F705-M714 HydrophobicContact CE1-SD 4.22Å; F705-M714 HydrophobicContact CZ-CE 4.38Å; F705-M714 HydrophobicContact CZ-CG 4.33Å; M714-M716 HydrophobicContact CE-CG 4.22Å; M714-M716 HydrophobicContact CE-SD 3.76Å; M714-M716 HydrophobicContact CG-CE 4.23Å; M714-M716 HydrophobicContact CG-CG 4Å; M714-M716 HydrophobicContact CG-SD 4.17Å; M714-M716 HydrophobicContact SD-CE 4.17Å; M714-M716 HydrophobicContact SD-CG 4.48Å; M714-M716 HydrophobicContact SD-SD 3.93Å; M714-F733 HydrophobicContact SD-CE1 4.06Å; M714-F733 HydrophobicContact SD-CE2 4.44Å; M714-F733 HydrophobicContact SD-CZ 3.48Å; M714-F733 WeakPolarHBondContact SD-CZ 3.37Å; M714-L762 HydrophobicContact CB-CB 4.34Å; M714-L762 PolarHBondContact N-O 3.37Å; M714-L762 PolarHBondContact O-N 3.22Å; M714-L764 HydrophobicContact CB-CD1 3.86Å; M714-L764 HydrophobicContact CB-CD2 4.36Å; M714-L764 HydrophobicContact CB-CG 4.17Å; M714-V781 HydrophobicContact CE-CG2 4.27Å; M714-F792 HydrophobicContact CE-CE2 4.34Å; M714-F792 HydrophobicContact CE-CZ 4.29Å |
| 715 | E | 90.8 | Very high | 85.8 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.5 | 178.5 | -66.9 | -75.2 | 178.1 | 0 | 0 | 108.2 | G703 T704 T706 R708 S761 | G703-E715 CarbonylContact C-O 3.57Å; G703-E715 WeakPolarHBondContact CA-O 3.49Å; T704-E715 HydrophobicContact CG2-CB 4.06Å; T704-E715 PolarHBondContact N-O 3.44Å; T704-E715 PolarHBondContact O-N 3.43Å; T706-E715 HydrophobicContact CG2-CG 3.96Å; R708-E715 IonicContact CZ-OE1 2.77Å; R708-E715 IonicContact NH1-OE1 3.94Å; R708-E715 IonicContact NH2-OE1 2.72Å; R708-E715 PolarHBondContact NH2-OE1 3.15Å; E715-S761 PolarHBondContact OE1-OG 3.21Å; E715-S761 WeakPolarHBondContact OE2-CB 3.37Å; E715-S761 PolarHBondContact OE2-OG 3.16Å |
| 716 | M | 92.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.1 | -177.1 | -72.5 | 174.3 | -70.9 | 0 | 0 | 111.1 | W690 S702 M714 F718 I731 L746 D759 V760 L762 | W690-M716 HydrophobicContact CE3-CG 4.49Å; W690-M716 HydrophobicContact CZ3-CG 3.74Å; S702-M716 CarbonylContact O-C 3.6Å; S702-M716 WeakPolarHBondContact O-CA 3.11Å; M714-M716 HydrophobicContact CE-CG 4.22Å; M714-M716 HydrophobicContact CE-SD 3.76Å; M714-M716 HydrophobicContact CG-CE 4.23Å; M714-M716 HydrophobicContact CG-CG 4Å; M714-M716 HydrophobicContact CG-SD 4.17Å; M714-M716 HydrophobicContact SD-CE 4.17Å; M714-M716 HydrophobicContact SD-CG 4.48Å; M714-M716 HydrophobicContact SD-SD 3.93Å; M716-F718 HydrophobicContact CB-CD2 4.19Å; M716-F718 HydrophobicContact CB-CE2 3.6Å; M716-F718 HydrophobicContact CB-CZ 4.25Å; M716-F718 HydrophobicContact CE-CE2 4.25Å; M716-F718 HydrophobicContact CE-CZ 4.31Å; M716-F718 HydrophobicContact CG-CE2 4.39Å; M716-F718 HydrophobicContact SD-CE2 4.04Å; M716-F718 HydrophobicContact SD-CZ 3.81Å; M716-I731 HydrophobicContact CE-CD1 3.89Å; M716-I731 HydrophobicContact SD-CD1 3.87Å; M716-L746 HydrophobicContact CE-CD1 3.74Å; M716-D759 CarbonylContact O-C 3.55Å; M716-D759 WeakPolarHBondContact O-CA 3.37Å; M716-V760 PolarHBondContact N-O 3.42Å; M716-V760 PolarHBondContact O-N 3.41Å; M716-L762 HydrophobicContact CE-CB 3.7Å; M716-L762 HydrophobicContact CE-CD2 3.72Å; M716-L762 HydrophobicContact CE-CG 4.38Å |
| 717 | N | 92.4 | Very high | 85.6 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.15 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.6 | 167.1 | -174.3 | -56.5 | 0 | 0 | 0 | 108.3 | I701 S702 T719 I758 D759 | I701-N717 WeakPolarHBondContact CA-O 3.3Å; S702-N717 PolarHBondContact N-O 3.39Å; S702-N717 PolarHBondContact O-N 3.46Å; N717-T719 PolarHBondContact OD1-OG1 3.33Å; N717-I758 WeakPolarHBondContact CA-O 3.27Å; N717-D759 WeakPolarHBondContact CB-OD1 3.36Å; N717-D759 PolarHBondContact ND2-OD1 2.95Å |
| 718 | F | 91.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.6 | 175.5 | -65.3 | -97 | 0 | 0 | 0 | 108.6 | L699 I701 M716 F729 L746 I748 L752 S757 I758 V760 V783 | L699-F718 HydrophobicContact CD1-CD1 4.3Å; I701-F718 HydrophobicContact CD1-CD1 4.01Å; I701-F718 HydrophobicContact CD1-CE1 3.63Å; I701-F718 HydrophobicContact CG1-CD1 3.82Å; I701-F718 HydrophobicContact CG1-CE1 3.93Å; I701-F718 HydrophobicContact CG2-CE1 4.35Å; M716-F718 HydrophobicContact CB-CD2 4.19Å; M716-F718 HydrophobicContact CB-CE2 3.6Å; M716-F718 HydrophobicContact CB-CZ 4.25Å; M716-F718 HydrophobicContact CE-CE2 4.25Å; M716-F718 HydrophobicContact CE-CZ 4.31Å; M716-F718 HydrophobicContact CG-CE2 4.39Å; M716-F718 HydrophobicContact SD-CE2 4.04Å; M716-F718 HydrophobicContact SD-CZ 3.81Å; F718-F729 HydrophobicContact CD1-CD1 4.49Å; F718-F729 HydrophobicContact CD1-CE1 4.26Å; F718-L746 HydrophobicContact CE2-CD1 4.37Å; F718-L746 HydrophobicContact CE2-CD2 4.32Å; F718-L746 HydrophobicContact CZ-CD1 4.39Å; F718-L746 HydrophobicContact CZ-CD2 3.91Å; F718-I748 HydrophobicContact CD1-CD1 4.45Å; F718-I748 HydrophobicContact CD2-CD1 3.79Å; F718-I748 HydrophobicContact CE2-CD1 3.96Å; F718-I748 HydrophobicContact CG-CD1 4.06Å; F718-I748 HydrophobicContact CZ-CD1 4.37Å; F718-L752 HydrophobicContact CB-CD2 4.16Å; F718-S757 CarbonylContact O-C 3.52Å; F718-S757 VanDerWaalsContact O-CA 3.24Å; F718-S757 WeakPolarHBondContact O-CA 3.42Å; F718-I758 HydrophobicContact CB-CG2 3.88Å; F718-I758 PolarHBondContact N-O 3.19Å; F718-I758 PolarHBondContact O-N 3.04Å; F718-V760 HydrophobicContact CD2-CB 4.42Å; F718-V760 HydrophobicContact CD2-CG2 3.99Å; F718-V760 HydrophobicContact CE2-CB 4.2Å; F718-V760 HydrophobicContact CE2-CG2 4.15Å; F718-V783 HydrophobicContact CE1-CG1 4.08Å; F718-V783 HydrophobicContact CE1-CG2 4.38Å |
| 719 | T | 90.3 | Very high | 86.1 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.2 | 177.6 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | E700 N717 K721 S757 | E700-T719 PolarHBondContact N-O 2.97Å; E700-T719 PolarHBondContact O-N 3.11Å; N717-T719 PolarHBondContact OD1-OG1 3.33Å; T719-K721 HydrophobicContact CG2-CG 4.11Å; T719-S757 WeakPolarHBondContact CG2-OG 3.49Å; T719-S757 WeakPolarHBondContact OG1-CB 3.27Å; T719-S757 PolarHBondContact OG1-OG 3.27Å |
| 720 | N | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 111.6 | 176 | -178.1 | 5.7 | 0 | 0 | 0 | 110 | A722 Q724 M726 L752 M753 N755 Q756 | N720-A722 WeakPolarHBondContact OD1-CA 3.34Å; N720-A722 VanDerWaalsContact OD1-CB 3.28Å; N720-A722 WeakPolarHBondContact OD1-CB 3.37Å; N720-A722 PolarHBondContact OD1-N 3.47Å; N720-Q724 PolarHBondContact ND2-O 3.26Å; N720-M726 HydrophobicContact CB-SD 4.19Å; N720-M726 VanDerWaalsContact OD1-CE 3.24Å; N720-M726 WeakPolarHBondContact OD1-CE 3.22Å; N720-L752 HydrophobicContact CB-CD2 3.67Å; N720-L752 HydrophobicContact CB-CG 3.8Å; N720-L752 PolarHBondContact ND2-O 2.96Å; N720-M753 PolarHBondContact ND2-O 2.9Å; N720-N755 WeakPolarHBondContact O-CA 3.36Å; N720-N755 PolarHBondContact O-N 3.17Å; N720-Q756 PolarHBondContact N-O 2.78Å |
| 721 | K | 88.1 | Confident | 88.1 | Confident | 103 Ų | 103 | 49.1 Ų | 49.1 | 45% | 0.448 | 25% | 0.25 | S | S | . | . | trans | -103.6 | 6.6 | 172 | -60.8 | -175 | -178.5 | 165.2 | 0 | 112.6 | A693 G698 E700 T719 | A693-K721 HydrophobicContact CB-CB 4.43Å; A693-K721 HydrophobicContact CB-CD 3.97Å; G698-K721 WeakPolarHBondContact O-CA 3.4Å; G698-K721 WeakPolarHBondContact O-CB 3.43Å; G698-K721 PolarHBondContact O-N 3.42Å; E700-K721 IonicContact OE1-NZ 2.98Å; E700-K721 PolarHBondContact OE1-NZ 3.4Å; E700-K721 IonicContact OE2-NZ 3.25Å; E700-K721 PolarHBondContact OE2-NZ 3.19Å; T719-K721 HydrophobicContact CG2-CG 4.11Å | ||
| 722 | A | 84.8 | Confident | 88.5 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -82.4 | 162.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N720 Q724 M726 P754 | N720-A722 WeakPolarHBondContact OD1-CA 3.34Å; N720-A722 VanDerWaalsContact OD1-CB 3.28Å; N720-A722 WeakPolarHBondContact OD1-CB 3.37Å; N720-A722 PolarHBondContact OD1-N 3.47Å; A722-Q724 VanDerWaalsContact C-N 3.27Å; A722-Q724 PolarHBondContact O-N 3.09Å; A722-M726 HydrophobicContact CB-CE 3.77Å; A722-P754 VanDerWaalsContact O-CB 3.26Å; A722-P754 WeakPolarHBondContact O-CB 3.21Å |
| 723 | L | 82.6 | Confident | 88.7 | Confident | 173 Ų | 173 | 50.2 Ų | 50.2 | 91% | 0.906 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -80 | -6.4 | 175.5 | -65.9 | 172.2 | 0 | 0 | 0 | 113.6 | ||
| 724 | Q | 84.4 | Confident | 88.8 | Confident | 129 Ų | 129 | 50.7 Ų | 50.7 | 60% | 0.603 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -109.3 | 153 | -179.6 | -63.4 | -178.6 | 7.1 | 0 | 0 | 110.9 | N720 A722 | N720-Q724 PolarHBondContact ND2-O 3.26Å; A722-Q724 VanDerWaalsContact C-N 3.27Å; A722-Q724 PolarHBondContact O-N 3.09Å |
| 725 | H | 84.4 | Confident | 88.6 | Confident | 103 Ų | 103 | 56.3 Ų | 56.3 | 48% | 0.477 | 29% | 0.286 | S | S | . | . | trans | -77 | 141.2 | 173.8 | 61.6 | -85.5 | 0 | 0 | 0 | 110.5 | L752 M753 N786 | H725-L752 WeakPolarHBondContact CA-O 3.44Å; H725-M753 HydrophobicContact CB-SD 4.21Å; H725-N786 PolarHBondContact O-ND2 3.1Å; H725-N786 VanDerWaalsContact O-ND2 3.17Å | ||
| 726 | M | 86.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -105.9 | 129.9 | 179.2 | -64.7 | 175.7 | -177.5 | 0 | 0 | 110.8 | L699 N720 A722 F729 L752 N786 I787 | L699-M726 HydrophobicContact CB-CE 3.86Å; L699-M726 HydrophobicContact CB-SD 3.97Å; L699-M726 HydrophobicContact CD1-SD 3.8Å; L699-M726 HydrophobicContact CG-SD 4.33Å; N720-M726 HydrophobicContact CB-SD 4.19Å; N720-M726 VanDerWaalsContact OD1-CE 3.24Å; N720-M726 WeakPolarHBondContact OD1-CE 3.22Å; A722-M726 HydrophobicContact CB-CE 3.77Å; M726-F729 HydrophobicContact CB-CE2 3.91Å; M726-F729 HydrophobicContact CB-CZ 3.55Å; M726-F729 HydrophobicContact SD-CZ 4.36Å; M726-L752 HydrophobicContact CB-CB 4.39Å; M726-L752 PolarHBondContact N-O 3.35Å; M726-L752 PolarHBondContact O-N 2.86Å; M726-N786 WeakPolarHBondContact CA-OD1 3.5Å; M726-I787 HydrophobicContact CE-CD1 3.88Å; M726-I787 HydrophobicContact CG-CD1 3.92Å |
| 727 | T | 87.8 | Confident | 88.1 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | trans | -131.3 | 175.5 | 178.6 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | F729 P751 N785 N786 | T727-F729 PolarHBondContact O-N 3.21Å; T727-P751 HydrophobicContact CG2-CB 3.58Å; T727-N785 CarbonylContact O-C 3.59Å; T727-N785 WeakPolarHBondContact O-CA 3.49Å; T727-N785 WeakPolarHBondContact O-CB 2.92Å; T727-N786 PolarHBondContact N-OD1 3.27Å; T727-N786 PolarHBondContact O-N 3.25Å; T727-N786 PolarHBondContact O-OD1 3.11Å; T727-N786 WeakPolarHBondContact OG1-CB 3.49Å; T727-N786 PolarHBondContact OG1-ND2 3.34Å | ||
| 728 | D | 85.5 | Confident | 87.8 | Confident | 118 Ų | 118 | 55.2 Ų | 55.2 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | trans | 61.2 | 44.1 | 170.3 | -50.8 | -53.8 | 0 | 0 | 0 | 114.1 | A730 | D728-A730 PolarHBondContact O-N 3.4Š| ||
| 729 | F | 88.8 | Confident | 87.5 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | trans | -69.8 | 126.4 | 179.3 | -68.4 | -90.5 | 0 | 0 | 0 | 111.8 | L699 F718 M726 T727 L746 I748 L752 V783 K784 N785 | L699-F729 HydrophobicContact CD1-CE1 4.26Å; L699-F729 HydrophobicContact CD2-CE1 4.21Å; F718-F729 HydrophobicContact CD1-CD1 4.49Å; F718-F729 HydrophobicContact CD1-CE1 4.26Å; M726-F729 HydrophobicContact CB-CE2 3.91Å; M726-F729 HydrophobicContact CB-CZ 3.55Å; M726-F729 HydrophobicContact SD-CZ 4.36Å; T727-F729 PolarHBondContact O-N 3.21Å; F729-L746 HydrophobicContact CB-CD2 3.8Å; F729-I748 HydrophobicContact CB-CB 4.18Å; F729-I748 HydrophobicContact CB-CD1 3.96Å; F729-I748 HydrophobicContact CD1-CD1 4.19Å; F729-I748 HydrophobicContact CD2-CB 4Å; F729-I748 HydrophobicContact CD2-CD1 3.99Å; F729-I748 HydrophobicContact CD2-CG2 3.61Å; F729-I748 HydrophobicContact CE2-CG2 4.03Å; F729-I748 HydrophobicContact CG-CB 4.35Å; F729-I748 HydrophobicContact CG-CD1 3.8Å; F729-I748 HydrophobicContact CG-CG2 4.4Å; F729-L752 HydrophobicContact CE2-CB 4.13Å; F729-L752 HydrophobicContact CZ-CB 4.31Å; F729-L752 HydrophobicContact CZ-CD2 4.15Å; F729-V783 HydrophobicContact CD1-CG1 4.21Å; F729-K784 CarbonylContact C-O 3.6Å; F729-K784 WeakPolarHBondContact CA-O 3.41Å; F729-N785 HydrophobicContact CD1-CB 3.98Å; F729-N785 HydrophobicContact CE1-CB 3.98Å; F729-N785 HydrophobicContact CG-CB 4.45Å; F729-N785 HydrophobicContact CZ-CB 4.45Å | ||
| 730 | A | 87.1 | Confident | 87.5 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D728 V783 K784 | D728-A730 PolarHBondContact O-N 3.4Å; A730-V783 CarbonylContact O-C 3.49Å; A730-V783 VanDerWaalsContact O-CA 3.31Å; A730-V783 WeakPolarHBondContact O-CA 3.27Å; A730-K784 HydrophobicContact CB-CB 4.33Å; A730-K784 PolarHBondContact N-O 3.42Å; A730-K784 PolarHBondContact O-N 3.2Å |
| 731 | I | 91.2 | Very high | 87.4 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.9 | -179 | -164.2 | 166.6 | 0 | 0 | 0 | 110.3 | M716 F733 L746 L762 V781 A782 V783 | M716-I731 HydrophobicContact CE-CD1 3.89Å; M716-I731 HydrophobicContact SD-CD1 3.87Å; I731-F733 HydrophobicContact CD1-CE1 3.74Å; I731-F733 HydrophobicContact CG1-CD1 4.31Å; I731-F733 HydrophobicContact CG1-CE1 3.83Å; I731-L746 HydrophobicContact CB-CB 4.43Å; I731-L746 HydrophobicContact CG2-CB 3.91Å; I731-L746 HydrophobicContact CG2-CD1 4.29Å; I731-L762 HydrophobicContact CD1-CD2 3.89Å; I731-L762 HydrophobicContact CG2-CD2 3.85Å; I731-V781 HydrophobicContact CD1-CG1 3.79Å; I731-V781 HydrophobicContact CG1-CG1 3.73Å; I731-A782 CarbonylContact C-O 3.41Å; I731-A782 WeakPolarHBondContact CA-O 3.25Å; I731-V783 HydrophobicContact CB-CG2 4.41Å; I731-V783 HydrophobicContact CD1-CG2 3.98Å; I731-V783 HydrophobicContact CG1-CG2 3.86Å |
| 732 | Q | 89.4 | Confident | 87.5 | Confident | 136 Ų | 136 | 53.5 Ų | 53.5 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 139 | 176 | -172.5 | 172.6 | 12.4 | 0 | 0 | 109.7 | A782 | Q732-A782 PolarHBondContact N-O 3.37Å; Q732-A782 PolarHBondContact O-N 3.16Å |
| 733 | F | 92.5 | Very high | 87.5 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.2 | 175.9 | -63.9 | -1.8 | 0 | 0 | 0 | 109.6 | M714 I731 V740 L762 L764 L779 V781 | M714-F733 HydrophobicContact SD-CE1 4.06Å; M714-F733 HydrophobicContact SD-CE2 4.44Å; M714-F733 HydrophobicContact SD-CZ 3.48Å; M714-F733 WeakPolarHBondContact SD-CZ 3.37Å; I731-F733 HydrophobicContact CD1-CE1 3.74Å; I731-F733 HydrophobicContact CG1-CD1 4.31Å; I731-F733 HydrophobicContact CG1-CE1 3.83Å; F733-V740 HydrophobicContact CD2-CG1 4.25Å; F733-V740 HydrophobicContact CE2-CG1 4.14Å; F733-L762 HydrophobicContact CZ-CD2 4.15Å; F733-L764 HydrophobicContact CE2-CD1 4.14Å; F733-L764 HydrophobicContact CE2-CD2 3.46Å; F733-L764 VanDerWaalsContact CE2-CD2 3.46Å; F733-L764 HydrophobicContact CE2-CG 4.44Å; F733-L764 HydrophobicContact CZ-CD2 3.73Å; F733-L779 HydrophobicContact CB-CD1 4.3Å; F733-L779 HydrophobicContact CD2-CD1 3.95Å; F733-L779 HydrophobicContact CD2-CD2 4Å; F733-L779 HydrophobicContact CD2-CG 4.45Å; F733-L779 HydrophobicContact CE2-CD2 3.84Å; F733-L779 HydrophobicContact CG-CD1 4.23Å; F733-L779 HydrophobicContact CZ-CD2 4.24Å; F733-V781 HydrophobicContact CD1-CB 4.22Å; F733-V781 HydrophobicContact CD1-CG1 3.82Å; F733-V781 HydrophobicContact CD1-CG2 3.76Å; F733-V781 HydrophobicContact CE1-CB 4.36Å; F733-V781 HydrophobicContact CE1-CG1 3.72Å; F733-V781 HydrophobicContact CE1-CG2 3.81Å; F733-V781 HydrophobicContact CG-CG2 4.47Å |
| 734 | N | 90.6 | Very high | 87.6 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 166.4 | 167.8 | -78.8 | -10.9 | 0 | 0 | 0 | 110.7 | N736 Q780 | N734-N736 PolarHBondContact O-N 2.94Å; N734-N736 PolarHBondContact O-ND2 3.38Å; N734-Q780 HydrophobicContact CB-CB 4Å; N734-Q780 PolarHBondContact N-O 3.25Å; N734-Q780 PolarHBondContact ND2-OE1 3Å |
| 735 | K | 87.8 | Confident | 87.5 | Confident | 118 Ų | 118 | 49.8 Ų | 49.8 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 136.9 | 171 | -56.1 | -176.4 | 180 | 177.4 | 0 | 109.4 | P769 M771 | K735-P769 HydrophobicContact CD-CB 4.32Å; K735-P769 HydrophobicContact CG-CB 4.1Å; K735-P769 HydrophobicContact CG-CG 4Å; K735-M771 HydrophobicContact CB-CB 3.49Å; K735-M771 VanDerWaalsContact CB-CB 3.49Å; K735-M771 HydrophobicContact CB-CE 4.33Å; K735-M771 HydrophobicContact CB-CG 4.49Å; K735-M771 HydrophobicContact CB-SD 4.27Å; K735-M771 HydrophobicContact CD-CB 4.3Å; K735-M771 HydrophobicContact CD-SD 4.39Å |
| 736 | N | 89.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -143.2 | 167.4 | -175.5 | 60.9 | 81.7 | 0 | 0 | 0 | 111.3 | N734 F738 G739 V740 V770 M771 L779 | N734-N736 PolarHBondContact O-N 2.94Å; N734-N736 PolarHBondContact O-ND2 3.38Å; N736-F738 PolarHBondContact O-N 2.67Å; N736-F738 VanDerWaalsContact O-N 3.11Å; N736-F738 PolarHBondContact OD1-N 3.01Å; N736-G739 PolarHBondContact O-N 2.91Å; N736-G739 PolarHBondContact OD1-N 3.35Å; N736-V740 PolarHBondContact ND2-N 3.14Å; N736-V740 PolarHBondContact ND2-O 2.87Å; N736-V740 PolarHBondContact OD1-N 3.06Å; N736-V770 WeakPolarHBondContact O-CA 3.5Å; N736-M771 CarbonylContact C-O 3.46Å; N736-M771 PolarHBondContact O-N 2.99Å; N736-L779 HydrophobicContact CB-CD1 4.06Å |
| 737 | S | 84.9 | Confident | 86.9 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -19.9 | -171.1 | -46.1 | 0 | 0 | 0 | 0 | 114.1 | V770 M771 M773 L776 | S737-V770 WeakPolarHBondContact O-CG1 3.44Å; S737-M771 WeakPolarHBondContact CA-O 3.26Å; S737-M771 PolarHBondContact N-O 3.24Å; S737-M773 PolarHBondContact OG-N 3.42Å; S737-L776 WeakPolarHBondContact CB-O 3.38Å; S737-L776 PolarHBondContact OG-O 3.05Å |
| 738 | F | 85.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 10.1 | -174.3 | -62.2 | -75.8 | 0 | 0 | 0 | 113.5 | N736 V740 L776 L798 L801 L869 | N736-F738 PolarHBondContact O-N 2.67Å; N736-F738 VanDerWaalsContact O-N 3.11Å; N736-F738 PolarHBondContact OD1-N 3.01Å; F738-V740 HydrophobicContact CB-CG2 3.97Å; F738-V740 PolarHBondContact O-N 3.11Å; F738-L776 WeakPolarHBondContact CE2-O 3.33Å; F738-L798 HydrophobicContact CE1-CD2 4.19Å; F738-L798 HydrophobicContact CE2-CD2 4.33Å; F738-L798 HydrophobicContact CZ-CD2 3.78Å; F738-L801 HydrophobicContact CB-CD1 4.16Å; F738-L801 HydrophobicContact CD1-CD1 3.94Å; F738-L801 HydrophobicContact CD2-CD1 3.78Å; F738-L801 HydrophobicContact CE1-CD1 4.29Å; F738-L801 HydrophobicContact CE2-CD1 4.14Å; F738-L801 HydrophobicContact CG-CD1 3.68Å; F738-L801 HydrophobicContact CZ-CD1 4.39Å; F738-L869 HydrophobicContact CE1-CD1 4.27Å |
| 739 | G | 86 | Confident | 85.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | 62.6 | 25.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N736 I741 T766 L767 G768 | N736-G739 PolarHBondContact O-N 2.91Å; N736-G739 PolarHBondContact OD1-N 3.35Å; G739-I741 PolarHBondContact O-N 3.49Å; G739-T766 CarbonylContact O-C 3.54Å; G739-T766 VanDerWaalsContact O-CA 3.28Å; G739-T766 WeakPolarHBondContact O-CA 3.36Å; G739-L767 PolarHBondContact O-N 3.41Å; G739-G768 WeakPolarHBondContact CA-O 3.4Å; G739-G768 VanDerWaalsContact O-CA 3.28Å; G739-G768 WeakPolarHBondContact O-CA 3.41Å; G739-G768 PolarHBondContact O-N 3.34Å | ||
| 740 | V | 89.2 | Confident | 85 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | trans | -70.2 | 123.2 | -176.2 | 179 | 0 | 0 | 0 | 0 | 110.2 | F733 N736 F738 L764 N765 T766 I796 L801 | F733-V740 HydrophobicContact CD2-CG1 4.25Å; F733-V740 HydrophobicContact CE2-CG1 4.14Å; N736-V740 PolarHBondContact ND2-N 3.14Å; N736-V740 PolarHBondContact ND2-O 2.87Å; N736-V740 PolarHBondContact OD1-N 3.06Å; F738-V740 HydrophobicContact CB-CG2 3.97Å; F738-V740 PolarHBondContact O-N 3.11Å; V740-L764 HydrophobicContact CG1-CB 4.23Å; V740-L764 HydrophobicContact CG1-CD1 3.74Å; V740-L764 HydrophobicContact CG1-CG 4.45Å; V740-N765 CarbonylContact C-O 3.59Å; V740-N765 VanDerWaalsContact CA-O 3.25Å; V740-N765 WeakPolarHBondContact CA-O 3.48Å; V740-T766 HydrophobicContact CG2-CG2 4.25Å; V740-I796 HydrophobicContact CB-CD1 4.33Å; V740-I796 HydrophobicContact CG1-CD1 4.38Å; V740-I796 HydrophobicContact CG2-CD1 3.93Å; V740-L801 HydrophobicContact CG2-CD2 4.39Å | ||
| 741 | I | 89.8 | Confident | 84.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 26% | 0.256 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153.1 | 174.8 | 58.5 | 167.2 | 0 | 0 | 0 | 111 | G739 S743 L764 N765 | G739-I741 PolarHBondContact O-N 3.49Å; I741-S743 PolarHBondContact O-N 3.44Å; I741-L764 CarbonylContact O-C 3.19Å; I741-L764 WeakPolarHBondContact O-CA 3.44Å; I741-N765 WeakPolarHBondContact CD1-OD1 3.32Å; I741-N765 WeakPolarHBondContact CG1-OD1 3.4Å; I741-N765 PolarHBondContact N-O 3.19Å; I741-N765 PolarHBondContact O-N 2.94Å |
| 742 | P | 89.3 | Confident | 84.5 | Confident | 33 Ų | 33 | 53 Ų | 53 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 132.3 | 173.3 | 27.7 | -34.4 | 0 | 0 | 0 | 111 | L762 L764 | P742-L762 HydrophobicContact CB-CD1 4.14Å; P742-L762 HydrophobicContact CB-CD2 4.02Å; P742-L762 HydrophobicContact CB-CG 4.22Å; P742-L764 HydrophobicContact CB-CD2 4.32Å |
| 743 | S | 85.1 | Confident | 84.4 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -81.8 | -21.5 | 177.3 | 61.7 | 0 | 0 | 0 | 0 | 113 | I741 P763 | I741-S743 PolarHBondContact O-N 3.44Å; S743-P763 PolarHBondContact N-O 3.39Å; S743-P763 VanDerWaalsContact OG-CB 3.32Å; S743-P763 WeakPolarHBondContact OG-CB 3.4Å; S743-P763 WeakPolarHBondContact OG-CG 3.38Å; S743-P763 PolarHBondContact OG-O 3.36Å; S743-P763 VanDerWaalsContact OG-O 3.07Å |
| 744 | T | 85 | Confident | 84.1 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -134.3 | 152.1 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | L762 P763 | T744-L762 VanDerWaalsContact O-CD1 3.27Å; T744-L762 WeakPolarHBondContact O-CD1 3.38Å; T744-P763 HydrophobicContact CG2-CG 4.23Å; T744-P763 WeakPolarHBondContact OG1-CD 3.42Å; T744-P763 VanDerWaalsContact OG1-CG 3.24Å; T744-P763 WeakPolarHBondContact OG1-CG 3.43Å |
| 745 | P | 81.4 | Confident | 83.9 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 75% | 0.747 | 32% | 0.321 | S | S | * | . | trans | -63 | 158.2 | 170.8 | 26.2 | -32.1 | 0 | 0 | 0 | 111.4 | A747 | P745-A747 PolarHBondContact O-N 3Š| ||
| 746 | L | 84.1 | Confident | 84 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | trans | -67.7 | 121.7 | -178.7 | -165.1 | 73.8 | 0 | 0 | 0 | 110.8 | M716 F718 F729 I731 I748 V760 L762 | M716-L746 HydrophobicContact CE-CD1 3.74Å; F718-L746 HydrophobicContact CE2-CD1 4.37Å; F718-L746 HydrophobicContact CE2-CD2 4.32Å; F718-L746 HydrophobicContact CZ-CD1 4.39Å; F718-L746 HydrophobicContact CZ-CD2 3.91Å; F729-L746 HydrophobicContact CB-CD2 3.8Å; I731-L746 HydrophobicContact CB-CB 4.43Å; I731-L746 HydrophobicContact CG2-CB 3.91Å; I731-L746 HydrophobicContact CG2-CD1 4.29Å; L746-I748 VanDerWaalsContact C-N 3.35Å; L746-I748 HydrophobicContact CD2-CD1 3.63Å; L746-I748 HydrophobicContact CD2-CG1 4.12Å; L746-I748 HydrophobicContact CG-CD1 4.15Å; L746-I748 HydrophobicContact CG-CG1 4.13Å; L746-I748 PolarHBondContact O-N 3.32Å; L746-I748 VanDerWaalsContact O-N 3.15Å; L746-V760 HydrophobicContact CD1-CG1 3.71Å; L746-V760 HydrophobicContact CG-CG1 4.4Å; L746-L762 HydrophobicContact CD1-CD1 4.45Å; L746-L762 HydrophobicContact CD1-CD2 4.47Å | ||
| 747 | A | 74.4 | Confident | 84.1 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | trans | -89.6 | 56.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P745 | P745-A747 PolarHBondContact O-N 3Š| ||
| 748 | I | 78.9 | Confident | 84.3 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | trans | -101 | 90 | 171 | -57.2 | 174.6 | 0 | 0 | 0 | 108.4 | F718 F729 L746 I758 V760 | F718-I748 HydrophobicContact CD1-CD1 4.45Å; F718-I748 HydrophobicContact CD2-CD1 3.79Å; F718-I748 HydrophobicContact CE2-CD1 3.96Å; F718-I748 HydrophobicContact CG-CD1 4.06Å; F718-I748 HydrophobicContact CZ-CD1 4.37Å; F729-I748 HydrophobicContact CB-CB 4.18Å; F729-I748 HydrophobicContact CB-CD1 3.96Å; F729-I748 HydrophobicContact CD1-CD1 4.19Å; F729-I748 HydrophobicContact CD2-CB 4Å; F729-I748 HydrophobicContact CD2-CD1 3.99Å; F729-I748 HydrophobicContact CD2-CG2 3.61Å; F729-I748 HydrophobicContact CE2-CG2 4.03Å; F729-I748 HydrophobicContact CG-CB 4.35Å; F729-I748 HydrophobicContact CG-CD1 3.8Å; F729-I748 HydrophobicContact CG-CG2 4.4Å; L746-I748 VanDerWaalsContact C-N 3.35Å; L746-I748 HydrophobicContact CD2-CD1 3.63Å; L746-I748 HydrophobicContact CD2-CG1 4.12Å; L746-I748 HydrophobicContact CG-CD1 4.15Å; L746-I748 HydrophobicContact CG-CG1 4.13Å; L746-I748 PolarHBondContact O-N 3.32Å; L746-I748 VanDerWaalsContact O-N 3.15Å; I748-I758 HydrophobicContact CD1-CG2 4.45Å; I748-I758 HydrophobicContact CG2-CD1 4.46Å; I748-V760 HydrophobicContact CD1-CG2 3.95Å; I748-V760 HydrophobicContact CG1-CG2 3.67Å | ||
| 749 | H | 67.7 | Low | 84.5 | Confident | 172 Ų | 172 | 62.9 Ų | 62.9 | 80% | 0.796 | 36% | 0.363 | S | S | * | . | trans | -91.1 | -15.1 | -177.3 | -64.1 | -62.4 | 0 | 0 | 0 | 113.8 | ||||
| 750 | T | 76.2 | Confident | 84.6 | Confident | 82 Ų | 82 | 63.5 Ų | 63.5 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -99.9 | 136.2 | 178.4 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | L752 | T750-L752 PolarHBondContact O-N 3.01Š|
| 751 | P | 82 | Confident | 84.7 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 40% | 0.403 | 38% | 0.383 | S | S | . | . | trans | -58 | 128.3 | 171.9 | 23.7 | -32.4 | 0 | 0 | 0 | 109.9 | T727 M753 | T727-P751 HydrophobicContact CG2-CB 3.58Å; P751-M753 PolarHBondContact O-N 3.14Å | ||
| 752 | L | 86.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -82.4 | 106 | 179 | -165.1 | 68.3 | 0 | 0 | 0 | 108.8 | F718 N720 H725 M726 F729 T750 Q756 I758 | F718-L752 HydrophobicContact CB-CD2 4.16Å; N720-L752 HydrophobicContact CB-CD2 3.67Å; N720-L752 HydrophobicContact CB-CG 3.8Å; N720-L752 PolarHBondContact ND2-O 2.96Å; H725-L752 WeakPolarHBondContact CA-O 3.44Å; M726-L752 HydrophobicContact CB-CB 4.39Å; M726-L752 PolarHBondContact N-O 3.35Å; M726-L752 PolarHBondContact O-N 2.86Å; F729-L752 HydrophobicContact CE2-CB 4.13Å; F729-L752 HydrophobicContact CZ-CB 4.31Å; F729-L752 HydrophobicContact CZ-CD2 4.15Å; T750-L752 PolarHBondContact O-N 3.01Å; L752-Q756 HydrophobicContact CD1-CB 4.08Å; L752-Q756 HydrophobicContact CD1-CG 4.07Å; L752-Q756 HydrophobicContact CG-CB 4.49Å; L752-I758 HydrophobicContact CD1-CB 3.99Å; L752-I758 HydrophobicContact CD1-CG2 3.68Å; L752-I758 HydrophobicContact CD2-CG2 4.46Å |
| 753 | M | 87.3 | Confident | 84.7 | Confident | 106 Ų | 106 | 63.4 Ų | 63.4 | 52% | 0.522 | 37% | 0.37 | S | S | . | . | trans | -70.2 | 159.6 | -178.9 | -66.9 | -65.6 | -151.9 | 0 | 0 | 111.8 | N720 H725 P751 N755 Q756 | N720-M753 PolarHBondContact ND2-O 2.9Å; H725-M753 HydrophobicContact CB-SD 4.21Å; P751-M753 PolarHBondContact O-N 3.14Å; M753-N755 PolarHBondContact O-N 2.77Å; M753-Q756 HydrophobicContact CB-CB 4.3Å; M753-Q756 VanDerWaalsContact N-OE1 3.07Å; M753-Q756 WeakPolarHBondContact O-CB 3.23Å; M753-Q756 PolarHBondContact O-N 3.04Å | ||
| 754 | P | 85.8 | Confident | 85 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 133 | 172.3 | -30.6 | 38.4 | 0 | 0 | 0 | 112.8 | A722 Q756 | A722-P754 VanDerWaalsContact O-CB 3.26Å; A722-P754 WeakPolarHBondContact O-CB 3.21Å; P754-Q756 PolarHBondContact O-N 2.79Å |
| 755 | N | 86.8 | Confident | 85.1 | Confident | 134 Ų | 134 | 60 Ų | 60 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 17.2 | -175.2 | -57.3 | -44.7 | 0 | 0 | 0 | 115.8 | N720 M753 | N720-N755 WeakPolarHBondContact O-CA 3.36Å; N720-N755 PolarHBondContact O-N 3.17Å; M753-N755 PolarHBondContact O-N 2.77Å |
| 756 | Q | 89.3 | Confident | 85.3 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | trans | -94.6 | 142.7 | 174.5 | -166.1 | 177.5 | 7.9 | 0 | 0 | 111.2 | N720 L752 M753 P754 | N720-Q756 PolarHBondContact N-O 2.78Å; L752-Q756 HydrophobicContact CD1-CB 4.08Å; L752-Q756 HydrophobicContact CD1-CG 4.07Å; L752-Q756 HydrophobicContact CG-CB 4.49Å; M753-Q756 HydrophobicContact CB-CB 4.3Å; M753-Q756 VanDerWaalsContact N-OE1 3.07Å; M753-Q756 WeakPolarHBondContact O-CB 3.23Å; M753-Q756 PolarHBondContact O-N 3.04Å; P754-Q756 PolarHBondContact O-N 2.79Å | ||
| 757 | S | 90 | Very high | 85.3 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144.8 | 172.7 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | F718 T719 | F718-S757 CarbonylContact O-C 3.52Å; F718-S757 VanDerWaalsContact O-CA 3.24Å; F718-S757 WeakPolarHBondContact O-CA 3.42Å; T719-S757 WeakPolarHBondContact CG2-OG 3.49Å; T719-S757 WeakPolarHBondContact OG1-CB 3.27Å; T719-S757 PolarHBondContact OG1-OG 3.27Å |
| 758 | I | 90.1 | Very high | 85.7 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 131.2 | 173.8 | -170.3 | 168.4 | 0 | 0 | 0 | 110.3 | N717 F718 I748 L752 V760 | N717-I758 WeakPolarHBondContact CA-O 3.27Å; F718-I758 HydrophobicContact CB-CG2 3.88Å; F718-I758 PolarHBondContact N-O 3.19Å; F718-I758 PolarHBondContact O-N 3.04Å; I748-I758 HydrophobicContact CD1-CG2 4.45Å; I748-I758 HydrophobicContact CG2-CD1 4.46Å; L752-I758 HydrophobicContact CD1-CB 3.99Å; L752-I758 HydrophobicContact CD1-CG2 3.68Å; L752-I758 HydrophobicContact CD2-CG2 4.46Å; I758-V760 HydrophobicContact CG1-CG2 4.31Å; I758-V760 HydrophobicContact CG2-CG2 4.33Å |
| 759 | D | 88.9 | Confident | 85.6 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 133 | 170.9 | -71.6 | -59.9 | 0 | 0 | 0 | 109.9 | K687 M716 N717 | K687-D759 IonicContact NZ-OD1 2.66Å; K687-D759 PolarHBondContact NZ-OD1 3.4Å; M716-D759 CarbonylContact O-C 3.55Å; M716-D759 WeakPolarHBondContact O-CA 3.37Å; N717-D759 WeakPolarHBondContact CB-OD1 3.36Å; N717-D759 PolarHBondContact ND2-OD1 2.95Å |
| 760 | V | 89 | Confident | 86.5 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.3 | -177.2 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | M716 F718 L746 I748 I758 | M716-V760 PolarHBondContact N-O 3.42Å; M716-V760 PolarHBondContact O-N 3.41Å; F718-V760 HydrophobicContact CD2-CB 4.42Å; F718-V760 HydrophobicContact CD2-CG2 3.99Å; F718-V760 HydrophobicContact CE2-CB 4.2Å; F718-V760 HydrophobicContact CE2-CG2 4.15Å; L746-V760 HydrophobicContact CD1-CG1 3.71Å; L746-V760 HydrophobicContact CG-CG1 4.4Å; I748-V760 HydrophobicContact CD1-CG2 3.95Å; I748-V760 HydrophobicContact CG1-CG2 3.67Å; I758-V760 HydrophobicContact CG1-CG2 4.31Å; I758-V760 HydrophobicContact CG2-CG2 4.33Å |
| 761 | S | 90.1 | Very high | 86.9 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116 | 174.3 | -166.2 | 0 | 0 | 0 | 0 | 109.3 | E715 | E715-S761 PolarHBondContact OE1-OG 3.21Å; E715-S761 WeakPolarHBondContact OE2-CB 3.37Å; E715-S761 PolarHBondContact OE2-OG 3.16Å |
| 762 | L | 90.2 | Very high | 87 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 114.3 | -176.7 | -179.8 | 67.5 | 0 | 0 | 0 | 110.2 | Y713 M714 M716 I731 F733 P742 T744 L746 L764 | Y713-L762 WeakPolarHBondContact CA-O 3.48Å; M714-L762 HydrophobicContact CB-CB 4.34Å; M714-L762 PolarHBondContact N-O 3.37Å; M714-L762 PolarHBondContact O-N 3.22Å; M716-L762 HydrophobicContact CE-CB 3.7Å; M716-L762 HydrophobicContact CE-CD2 3.72Å; M716-L762 HydrophobicContact CE-CG 4.38Å; I731-L762 HydrophobicContact CD1-CD2 3.89Å; I731-L762 HydrophobicContact CG2-CD2 3.85Å; F733-L762 HydrophobicContact CZ-CD2 4.15Å; P742-L762 HydrophobicContact CB-CD1 4.14Å; P742-L762 HydrophobicContact CB-CD2 4.02Å; P742-L762 HydrophobicContact CB-CG 4.22Å; T744-L762 VanDerWaalsContact O-CD1 3.27Å; T744-L762 WeakPolarHBondContact O-CD1 3.38Å; L746-L762 HydrophobicContact CD1-CD1 4.45Å; L746-L762 HydrophobicContact CD1-CD2 4.47Å; L762-L764 HydrophobicContact CD2-CD2 4.21Å; L762-L764 HydrophobicContact CG-CD2 4.16Å |
| 763 | P | 90 | Very high | 86.7 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 20% | 0.195 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 137.9 | 175.1 | 28.1 | -33.8 | 0 | 0 | 0 | 111.4 | Y713 S743 T744 | Y713-P763 HydrophobicContact CD1-CB 4.01Å; Y713-P763 HydrophobicContact CE1-CB 3.75Å; S743-P763 PolarHBondContact N-O 3.39Å; S743-P763 VanDerWaalsContact OG-CB 3.32Å; S743-P763 WeakPolarHBondContact OG-CB 3.4Å; S743-P763 WeakPolarHBondContact OG-CG 3.38Å; S743-P763 PolarHBondContact OG-O 3.36Å; S743-P763 VanDerWaalsContact OG-O 3.07Å; T744-P763 HydrophobicContact CG2-CG 4.23Å; T744-P763 WeakPolarHBondContact OG1-CD 3.42Å; T744-P763 VanDerWaalsContact OG1-CG 3.24Å; T744-P763 WeakPolarHBondContact OG1-CG 3.43Å |
| 764 | L | 90.6 | Very high | 86.3 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 149 | -177.5 | -56.3 | -174.4 | 0 | 0 | 0 | 111 | F705 I712 M714 F733 V740 I741 P742 L762 | F705-L764 HydrophobicContact CD1-CD1 4.19Å; F705-L764 HydrophobicContact CE1-CD1 4Å; I712-L764 HydrophobicContact CB-CB 4.18Å; I712-L764 HydrophobicContact CG2-CB 4.02Å; I712-L764 HydrophobicContact CG2-CD1 4.01Å; I712-L764 HydrophobicContact CG2-CG 4.38Å; I712-L764 PolarHBondContact O-N 2.97Å; M714-L764 HydrophobicContact CB-CD1 3.86Å; M714-L764 HydrophobicContact CB-CD2 4.36Å; M714-L764 HydrophobicContact CB-CG 4.17Å; F733-L764 HydrophobicContact CE2-CD1 4.14Å; F733-L764 HydrophobicContact CE2-CD2 3.46Å; F733-L764 VanDerWaalsContact CE2-CD2 3.46Å; F733-L764 HydrophobicContact CE2-CG 4.44Å; F733-L764 HydrophobicContact CZ-CD2 3.73Å; V740-L764 HydrophobicContact CG1-CB 4.23Å; V740-L764 HydrophobicContact CG1-CD1 3.74Å; V740-L764 HydrophobicContact CG1-CG 4.45Å; I741-L764 CarbonylContact O-C 3.19Å; I741-L764 WeakPolarHBondContact O-CA 3.44Å; P742-L764 HydrophobicContact CB-CD2 4.32Å; L762-L764 HydrophobicContact CD2-CD2 4.21Å; L762-L764 HydrophobicContact CG-CD2 4.16Å |
| 765 | N | 87.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 167.7 | 168.9 | 79.2 | 47 | 0 | 0 | 0 | 110.3 | V740 I741 L767 | V740-N765 CarbonylContact C-O 3.59Å; V740-N765 VanDerWaalsContact CA-O 3.25Å; V740-N765 WeakPolarHBondContact CA-O 3.48Å; I741-N765 WeakPolarHBondContact CD1-OD1 3.32Å; I741-N765 WeakPolarHBondContact CG1-OD1 3.4Å; I741-N765 PolarHBondContact N-O 3.19Å; I741-N765 PolarHBondContact O-N 2.94Å; N765-L767 PolarHBondContact OD1-N 2.91Å |
| 766 | T | 86.1 | Confident | 85.9 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -114.1 | 27 | 179.7 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | I712 G739 V740 L801 T870 | I712-T766 HydrophobicContact CD1-CG2 4.21Å; G739-T766 CarbonylContact O-C 3.54Å; G739-T766 VanDerWaalsContact O-CA 3.28Å; G739-T766 WeakPolarHBondContact O-CA 3.36Å; V740-T766 HydrophobicContact CG2-CG2 4.25Å; T766-L801 HydrophobicContact CG2-CD2 4.08Å; T766-T870 HydrophobicContact CG2-CG2 4.13Å |
| 767 | L | 84.1 | Confident | 85.8 | Confident | 155 Ų | 155 | 59 Ų | 59 | 81% | 0.812 | 33% | 0.327 | S | S | * | . | trans | -98.9 | 8.9 | -178.2 | -63.9 | 176.3 | 0 | 0 | 0 | 112.9 | G739 N765 | G739-L767 PolarHBondContact O-N 3.41Å; N765-L767 PolarHBondContact OD1-N 2.91Å | ||
| 768 | G | 82.3 | Confident | 85.8 | Confident | 12 Ų | 12 | 57 Ų | 57 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -80.2 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G739 V770 | G739-G768 WeakPolarHBondContact CA-O 3.4Å; G739-G768 VanDerWaalsContact O-CA 3.28Å; G739-G768 WeakPolarHBondContact O-CA 3.41Å; G739-G768 PolarHBondContact O-N 3.34Å; G768-V770 PolarHBondContact O-N 3.19Å |
| 769 | P | 77.6 | Confident | 85.9 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 127.7 | 178.4 | 26.6 | -34.2 | 0 | 0 | 0 | 111.5 | K735 | K735-P769 HydrophobicContact CD-CB 4.32Å; K735-P769 HydrophobicContact CG-CB 4.1Å; K735-P769 HydrophobicContact CG-CG 4Å |
| 770 | V | 85 | Confident | 86 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | B | Isolated β-bridge | trans | -91 | 134.1 | -177.7 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | N736 S737 G768 | N736-V770 WeakPolarHBondContact O-CA 3.5Å; S737-V770 WeakPolarHBondContact O-CG1 3.44Å; G768-V770 PolarHBondContact O-N 3.19Å |
| 771 | M | 85.4 | Confident | 86.2 | Confident | 89 Ų | 89 | 53.3 Ų | 53.3 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | trans | -143.1 | 124.1 | 169.5 | -175.5 | 175.1 | 81.9 | 0 | 0 | 108 | K735 N736 S737 M773 | K735-M771 HydrophobicContact CB-CB 3.49Å; K735-M771 VanDerWaalsContact CB-CB 3.49Å; K735-M771 HydrophobicContact CB-CE 4.33Å; K735-M771 HydrophobicContact CB-CG 4.49Å; K735-M771 HydrophobicContact CB-SD 4.27Å; K735-M771 HydrophobicContact CD-CB 4.3Å; K735-M771 HydrophobicContact CD-SD 4.39Å; N736-M771 CarbonylContact C-O 3.46Å; N736-M771 PolarHBondContact O-N 2.99Å; S737-M771 WeakPolarHBondContact CA-O 3.26Å; S737-M771 PolarHBondContact N-O 3.24Å; M771-M773 HydrophobicContact CE-SD 3.47Å; M771-M773 WeakPolarHBondContact CE-SD 3.48Å; M771-M773 PolarHBondContact O-N 2.71Å | ||
| 772 | K | 83 | Confident | 86.2 | Confident | 117 Ų | 117 | 51.3 Ų | 51.3 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | trans | -62.5 | 123.3 | 180 | -169.6 | -177.2 | -177.7 | -175.1 | 0 | 109.2 | L776 E898 | K772-L776 HydrophobicContact CG-CD2 3.86Å; K772-E898 WeakPolarHBondContact CE-OE2 3.46Å; K772-E898 IonicContact NZ-OE1 2.68Å; K772-E898 PolarHBondContact NZ-OE1 2.7Å; K772-E898 IonicContact NZ-OE2 3.03Å; K772-E898 PolarHBondContact NZ-OE2 2.94Å | ||
| 773 | M | 82.5 | Confident | 86.3 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | trans | -105.8 | 150.9 | 175.7 | -60.8 | -62.1 | -69.8 | 0 | 0 | 110 | S737 M771 P775 L776 Q780 | S737-M773 PolarHBondContact OG-N 3.42Å; M771-M773 HydrophobicContact CE-SD 3.47Å; M771-M773 WeakPolarHBondContact CE-SD 3.48Å; M771-M773 PolarHBondContact O-N 2.71Å; M773-P775 CarbonylContact C-O 3.3Å; M773-P775 WeakPolarHBondContact CB-O 3.11Å; M773-P775 CarbonylContact O-C 3.53Å; M773-L776 VanDerWaalsContact O-CA 3.29Å; M773-L776 WeakPolarHBondContact O-CA 3.49Å; M773-L776 PolarHBondContact O-N 3.13Å; M773-Q780 HydrophobicContact CE-CG 4.39Å | ||
| 774 | E | 77.6 | Confident | 86.3 | Confident | 171 Ų | 171 | 55.4 Ų | 55.4 | 80% | 0.799 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -117.7 | 112.5 | 166.9 | -69.5 | -177 | 175.8 | 0 | 0 | 107.7 | ||
| 775 | P | 81.1 | Confident | 86.2 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | S | Bend | cis | -65.8 | 152 | -2.8 | -22.5 | 35.6 | 0 | 0 | 0 | 115.5 | M773 N777 N778 Y902 | M773-P775 CarbonylContact C-O 3.3Å; M773-P775 WeakPolarHBondContact CB-O 3.11Å; M773-P775 CarbonylContact O-C 3.53Å; P775-N777 VanDerWaalsContact C-N 3.28Å; P775-N777 PolarHBondContact O-N 3.37Å; P775-N778 WeakPolarHBondContact O-CB 3.32Å; P775-N778 PolarHBondContact O-N 3.38Å; P775-N778 VanDerWaalsContact O-N 3.08Å; P775-Y902 WeakPolarHBondContact CA-OH 3.17Å; P775-Y902 HydrophobicContact CB-CE1 4.34Å; P775-Y902 WeakPolarHBondContact CB-OH 3.39Å |
| 776 | L | 83.2 | Confident | 86.2 | Confident | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -34.5 | -176.1 | -74.9 | 176.5 | 0 | 0 | 0 | 113.9 | S737 F738 K772 M773 N778 E898 V899 Y902 | S737-L776 WeakPolarHBondContact CB-O 3.38Å; S737-L776 PolarHBondContact OG-O 3.05Å; F738-L776 WeakPolarHBondContact CE2-O 3.33Å; K772-L776 HydrophobicContact CG-CD2 3.86Å; M773-L776 VanDerWaalsContact O-CA 3.29Å; M773-L776 WeakPolarHBondContact O-CA 3.49Å; M773-L776 PolarHBondContact O-N 3.13Å; L776-N778 VanDerWaalsContact C-N 3.3Å; L776-E898 HydrophobicContact CD1-CB 3.89Å; L776-V899 HydrophobicContact CD1-CG2 4.26Å; L776-Y902 HydrophobicContact CB-CE2 3.86Å; L776-Y902 HydrophobicContact CD1-CD2 4.48Å; L776-Y902 HydrophobicContact CD1-CE2 3.99Å; L776-Y902 HydrophobicContact CG-CE2 4.18Å; L776-Y902 PolarHBondContact N-OH 3.17Å |
| 777 | N | 87 | Confident | 86.1 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.08 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 7.5 | -178.6 | 66.5 | -22.9 | 0 | 0 | 0 | 114 | P775 L795 I796 Y902 | P775-N777 VanDerWaalsContact C-N 3.28Å; P775-N777 PolarHBondContact O-N 3.37Å; N777-L795 WeakPolarHBondContact O-CA 3.32Å; N777-I796 WeakPolarHBondContact CB-O 3.06Å; N777-I796 PolarHBondContact O-N 2.86Å; N777-Y902 HydrophobicContact CB-CD1 4.46Å; N777-Y902 WeakPolarHBondContact OD1-CE1 3.24Å |
| 778 | N | 90.6 | Very high | 86.2 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 129.9 | -179.6 | -169.5 | 25.8 | 0 | 0 | 0 | 111.9 | P775 L776 S793 L795 | P775-N778 WeakPolarHBondContact O-CB 3.32Å; P775-N778 PolarHBondContact O-N 3.38Å; P775-N778 VanDerWaalsContact O-N 3.08Å; L776-N778 VanDerWaalsContact C-N 3.3Å; N778-S793 WeakPolarHBondContact OD1-CB 3.42Å; N778-L795 HydrophobicContact CB-CD2 4.21Å |
| 779 | L | 91.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.7 | 175.7 | -178.7 | 69.7 | 0 | 0 | 0 | 109.6 | F705 F733 N736 V781 S793 C794 I796 | F705-L779 HydrophobicContact CE1-CD2 4.36Å; F705-L779 HydrophobicContact CZ-CD2 4.17Å; F733-L779 HydrophobicContact CB-CD1 4.3Å; F733-L779 HydrophobicContact CD2-CD1 3.95Å; F733-L779 HydrophobicContact CD2-CD2 4Å; F733-L779 HydrophobicContact CD2-CG 4.45Å; F733-L779 HydrophobicContact CE2-CD2 3.84Å; F733-L779 HydrophobicContact CG-CD1 4.23Å; F733-L779 HydrophobicContact CZ-CD2 4.24Å; N736-L779 HydrophobicContact CB-CD1 4.06Å; L779-V781 HydrophobicContact CD2-CG2 3.87Å; L779-V781 HydrophobicContact CG-CG2 3.83Å; L779-S793 CarbonylContact O-C 3.57Å; L779-S793 WeakPolarHBondContact O-CA 3.47Å; L779-C794 PolarHBondContact N-O 2.91Å; L779-C794 PolarHBondContact O-N 3.23Å; L779-I796 HydrophobicContact CB-CD1 3.92Å; L779-I796 HydrophobicContact CB-CG1 3.91Å; L779-I796 HydrophobicContact CD1-CD1 4.42Å; L779-I796 HydrophobicContact CD2-CD1 4.03Å; L779-I796 HydrophobicContact CD2-CG1 4.27Å; L779-I796 HydrophobicContact CG-CD1 4.34Å |
| 780 | Q | 91 | Very high | 87.1 | Confident | 74 Ų | 74 | 51.3 Ų | 51.3 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.4 | 173 | -69.1 | 177.6 | -5.8 | 0 | 0 | 110.3 | N734 M773 | N734-Q780 HydrophobicContact CB-CB 4Å; N734-Q780 PolarHBondContact N-O 3.25Å; N734-Q780 PolarHBondContact ND2-OE1 3Å; M773-Q780 HydrophobicContact CE-CG 4.39Å |
| 781 | V | 93.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.2 | -172.7 | -179 | 0 | 0 | 0 | 0 | 109.6 | M714 I731 F733 L779 V783 Y791 F792 | M714-V781 HydrophobicContact CE-CG2 4.27Å; I731-V781 HydrophobicContact CD1-CG1 3.79Å; I731-V781 HydrophobicContact CG1-CG1 3.73Å; F733-V781 HydrophobicContact CD1-CB 4.22Å; F733-V781 HydrophobicContact CD1-CG1 3.82Å; F733-V781 HydrophobicContact CD1-CG2 3.76Å; F733-V781 HydrophobicContact CE1-CB 4.36Å; F733-V781 HydrophobicContact CE1-CG1 3.72Å; F733-V781 HydrophobicContact CE1-CG2 3.81Å; F733-V781 HydrophobicContact CG-CG2 4.47Å; L779-V781 HydrophobicContact CD2-CG2 3.87Å; L779-V781 HydrophobicContact CG-CG2 3.83Å; V781-V783 HydrophobicContact CG1-CG2 4.28Å; V781-Y791 WeakPolarHBondContact O-CA 3.36Å; V781-F792 HydrophobicContact CB-CD1 4.35Å; V781-F792 HydrophobicContact CB-CD2 4.3Å; V781-F792 HydrophobicContact CB-CE1 3.91Å; V781-F792 HydrophobicContact CB-CE2 3.86Å; V781-F792 HydrophobicContact CB-CZ 3.65Å; V781-F792 HydrophobicContact CG1-CE1 3.68Å; V781-F792 HydrophobicContact CG1-CE2 4.22Å; V781-F792 HydrophobicContact CG1-CZ 3.52Å; V781-F792 HydrophobicContact CG2-CE2 4.18Å; V781-F792 HydrophobicContact CG2-CZ 4.29Å; V781-F792 PolarHBondContact N-O 2.98Å; V781-F792 PolarHBondContact O-N 3.49Å |
| 782 | A | 91.4 | Very high | 87.7 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | I731 Q732 V789 F790 Y791 | I731-A782 CarbonylContact C-O 3.41Å; I731-A782 WeakPolarHBondContact CA-O 3.25Å; Q732-A782 PolarHBondContact N-O 3.37Å; Q732-A782 PolarHBondContact O-N 3.16Å; A782-V789 HydrophobicContact CB-CG1 4.33Å; A782-F790 CarbonylContact C-O 3.54Å; A782-F790 WeakPolarHBondContact CA-O 3.3Å; A782-Y791 HydrophobicContact CB-CD1 3.62Å; A782-Y791 HydrophobicContact CB-CE1 3.51Å |
| 783 | V | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.7 | 171.3 | 172.3 | 0 | 0 | 0 | 0 | 108.6 | I701 F718 F729 A730 I731 V781 F790 F792 | I701-V783 HydrophobicContact CD1-CB 4.27Å; I701-V783 HydrophobicContact CD1-CG1 4.41Å; I701-V783 HydrophobicContact CD1-CG2 4.07Å; F718-V783 HydrophobicContact CE1-CG1 4.08Å; F718-V783 HydrophobicContact CE1-CG2 4.38Å; F729-V783 HydrophobicContact CD1-CG1 4.21Å; A730-V783 CarbonylContact O-C 3.49Å; A730-V783 VanDerWaalsContact O-CA 3.31Å; A730-V783 WeakPolarHBondContact O-CA 3.27Å; I731-V783 HydrophobicContact CB-CG2 4.41Å; I731-V783 HydrophobicContact CD1-CG2 3.98Å; I731-V783 HydrophobicContact CG1-CG2 3.86Å; V781-V783 HydrophobicContact CG1-CG2 4.28Å; V783-F790 PolarHBondContact N-O 3.47Å; V783-F790 PolarHBondContact O-N 3.4Å; V783-F792 HydrophobicContact CG2-CE1 3.83Å |
| 784 | K | 89.8 | Confident | 88.4 | Confident | 117 Ų | 117 | 47.6 Ų | 47.6 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.6 | 173.2 | 177.1 | 175 | 179.4 | -177.9 | 0 | 109.9 | F729 A730 V789 | F729-K784 CarbonylContact C-O 3.6Å; F729-K784 WeakPolarHBondContact CA-O 3.41Å; A730-K784 HydrophobicContact CB-CB 4.33Å; A730-K784 PolarHBondContact N-O 3.42Å; A730-K784 PolarHBondContact O-N 3.2Å; K784-V789 HydrophobicContact CB-CG2 4.01Å; K784-V789 HydrophobicContact CD-CG2 4.18Å; K784-V789 HydrophobicContact CG-CG2 3.92Å |
| 785 | N | 88.7 | Confident | 89 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | trans | -135 | -170.5 | 162 | 68 | 10.4 | 0 | 0 | 0 | 110.2 | T727 F729 I787 D788 | T727-N785 CarbonylContact O-C 3.59Å; T727-N785 WeakPolarHBondContact O-CA 3.49Å; T727-N785 WeakPolarHBondContact O-CB 2.92Å; F729-N785 HydrophobicContact CD1-CB 3.98Å; F729-N785 HydrophobicContact CE1-CB 3.98Å; F729-N785 HydrophobicContact CG-CB 4.45Å; F729-N785 HydrophobicContact CZ-CB 4.45Å; N785-I787 PolarHBondContact O-N 3.49Å; N785-I787 WeakPolarHBondContact OD1-CA 3.35Å; N785-I787 WeakPolarHBondContact OD1-CB 3.34Å; N785-I787 PolarHBondContact OD1-N 3.49Å; N785-D788 PolarHBondContact N-O 3.33Å; N785-D788 PolarHBondContact OD1-N 3.05Å; N785-D788 PolarHBondContact OD1-O 3.25Å | ||
| 786 | N | 87 | Confident | 89.3 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 35% | 0.353 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -65.2 | -13.8 | 176.3 | 65.8 | -34.7 | 0 | 0 | 0 | 115.1 | H725 M726 T727 | H725-N786 PolarHBondContact O-ND2 3.1Å; H725-N786 VanDerWaalsContact O-ND2 3.17Å; M726-N786 WeakPolarHBondContact CA-OD1 3.5Å; T727-N786 PolarHBondContact N-OD1 3.27Å; T727-N786 PolarHBondContact O-N 3.25Å; T727-N786 PolarHBondContact O-OD1 3.11Å; T727-N786 WeakPolarHBondContact OG1-CB 3.49Å; T727-N786 PolarHBondContact OG1-ND2 3.34Å |
| 787 | I | 84.9 | Confident | 89.4 | Confident | 55 Ų | 55 | 42.2 Ų | 42.2 | 28% | 0.282 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -94.1 | -54.6 | 179.8 | -57.8 | 174.8 | 0 | 0 | 0 | 110.4 | K697 M726 N785 | K697-I787 HydrophobicContact CD-CG2 4.22Å; M726-I787 HydrophobicContact CE-CD1 3.88Å; M726-I787 HydrophobicContact CG-CD1 3.92Å; N785-I787 PolarHBondContact O-N 3.49Å; N785-I787 WeakPolarHBondContact OD1-CA 3.35Å; N785-I787 WeakPolarHBondContact OD1-CB 3.34Å; N785-I787 PolarHBondContact OD1-N 3.49Å |
| 788 | D | 85.5 | Confident | 89.3 | Confident | 69 Ų | 69 | 41.8 Ų | 41.8 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | trans | -162 | 179.4 | -174.4 | -143.3 | -25.7 | 0 | 0 | 0 | 112.2 | K697 N785 F790 | K697-D788 IonicContact NZ-OD2 2.63Å; K697-D788 PolarHBondContact NZ-OD2 3.03Å; N785-D788 PolarHBondContact N-O 3.33Å; N785-D788 PolarHBondContact OD1-N 3.05Å; N785-D788 PolarHBondContact OD1-O 3.25Å; D788-F790 HydrophobicContact CB-CE1 4.07Å; D788-F790 HydrophobicContact CB-CE2 4.23Å; D788-F790 HydrophobicContact CB-CZ 3.78Å | ||
| 789 | V | 88.6 | Confident | 89 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 30% | 0.297 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.3 | 167.7 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | A782 K784 Y791 | A782-V789 HydrophobicContact CB-CG1 4.33Å; K784-V789 HydrophobicContact CB-CG2 4.01Å; K784-V789 HydrophobicContact CD-CG2 4.18Å; K784-V789 HydrophobicContact CG-CG2 3.92Å; V789-Y791 HydrophobicContact CB-CE2 4.35Å; V789-Y791 HydrophobicContact CG1-CE1 4.37Å; V789-Y791 HydrophobicContact CG1-CE2 3.85Å |
| 790 | F | 90.4 | Very high | 88.7 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 7% | 0.066 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132 | -179.9 | -55.4 | -73.1 | 0 | 0 | 0 | 110.9 | L691 A696 K697 L699 A782 V783 D788 | L691-F790 HydrophobicContact CD2-CB 3.82Å; L691-F790 HydrophobicContact CD2-CG 4.41Å; A696-F790 HydrophobicContact CB-CD1 3.65Å; A696-F790 HydrophobicContact CB-CE1 3.91Å; A696-F790 HydrophobicContact CB-CG 4.05Å; A696-F790 WeakPolarHBondContact O-CZ 3.38Å; K697-F790 HydrophobicContact CB-CE1 4.39Å; K697-F790 HydrophobicContact CB-CZ 4.33Å; K697-F790 HydrophobicContact CD-CE1 4.48Å; K697-F790 HydrophobicContact CG-CE1 4.42Å; L699-F790 HydrophobicContact CD2-CD2 3.98Å; L699-F790 HydrophobicContact CD2-CE2 4.23Å; A782-F790 CarbonylContact C-O 3.54Å; A782-F790 WeakPolarHBondContact CA-O 3.3Å; V783-F790 PolarHBondContact N-O 3.47Å; V783-F790 PolarHBondContact O-N 3.4Å; D788-F790 HydrophobicContact CB-CE1 4.07Å; D788-F790 HydrophobicContact CB-CE2 4.23Å; D788-F790 HydrophobicContact CB-CZ 3.78Å |
| 791 | Y | 91.4 | Very high | 88.4 | Confident | 158 Ų | 158 | 38.1 Ų | 38.1 | 62% | 0.62 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.1 | 177.7 | -60.3 | -89.6 | 0 | 0 | 0 | 110 | V781 A782 V789 | V781-Y791 WeakPolarHBondContact O-CA 3.36Å; A782-Y791 HydrophobicContact CB-CD1 3.62Å; A782-Y791 HydrophobicContact CB-CE1 3.51Å; V789-Y791 HydrophobicContact CB-CE2 4.35Å; V789-Y791 HydrophobicContact CG1-CE1 4.37Å; V789-Y791 HydrophobicContact CG1-CE2 3.85Å |
| 792 | F | 91.9 | Very high | 88.1 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 159.5 | 172.1 | 66.7 | -88.9 | 0 | 0 | 0 | 111.1 | W690 L691 I701 M714 V781 V783 C794 | W690-F792 HydrophobicContact CB-CD2 3.64Å; W690-F792 HydrophobicContact CB-CE2 3.78Å; W690-F792 HydrophobicContact CD2-CE2 4.21Å; W690-F792 AromaticContact CE3-CE2 3.83Å; W690-F792 HydrophobicContact CE3-CE2 3.83Å; W690-F792 HydrophobicContact CE3-CZ 4.32Å; W690-F792 HydrophobicContact CG-CD2 4.43Å; W690-F792 HydrophobicContact CG-CE2 4.26Å; L691-F792 HydrophobicContact CB-CB 4.27Å; L691-F792 HydrophobicContact CB-CD1 4.35Å; L691-F792 HydrophobicContact CB-CG 4.35Å; L691-F792 HydrophobicContact CD1-CB 4.25Å; L691-F792 HydrophobicContact CD2-CD1 4.27Å; I701-F792 HydrophobicContact CD1-CD1 4.35Å; I701-F792 HydrophobicContact CD1-CE1 3.8Å; I701-F792 HydrophobicContact CD1-CZ 4.49Å; I701-F792 HydrophobicContact CG2-CZ 4.4Å; M714-F792 HydrophobicContact CE-CE2 4.34Å; M714-F792 HydrophobicContact CE-CZ 4.29Å; V781-F792 HydrophobicContact CB-CD1 4.35Å; V781-F792 HydrophobicContact CB-CD2 4.3Å; V781-F792 HydrophobicContact CB-CE1 3.91Å; V781-F792 HydrophobicContact CB-CE2 3.86Å; V781-F792 HydrophobicContact CB-CZ 3.65Å; V781-F792 HydrophobicContact CG1-CE1 3.68Å; V781-F792 HydrophobicContact CG1-CE2 4.22Å; V781-F792 HydrophobicContact CG1-CZ 3.52Å; V781-F792 HydrophobicContact CG2-CE2 4.18Å; V781-F792 HydrophobicContact CG2-CZ 4.29Å; V781-F792 PolarHBondContact N-O 2.98Å; V781-F792 PolarHBondContact O-N 3.49Å; V783-F792 HydrophobicContact CG2-CE1 3.83Å; F792-C794 HydrophobicContact CE2-CB 4.4Å |
| 793 | S | 90.4 | Very high | 87.7 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 143 | 172.2 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | N778 L779 | N778-S793 WeakPolarHBondContact OD1-CB 3.42Å; L779-S793 CarbonylContact O-C 3.57Å; L779-S793 WeakPolarHBondContact O-CA 3.47Å |
| 794 | C | 90.4 | Very high | 87.1 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.3 | 173.9 | 60.3 | 0 | 0 | 0 | 0 | 110 | W690 L779 F792 | W690-C794 HydrophobicContact CD2-CB 3.79Å; W690-C794 HydrophobicContact CE3-CB 4.48Å; W690-C794 HydrophobicContact CG-CB 3.82Å; W690-C794 HydrophobicContact CZ2-CB 4.31Å; L779-C794 PolarHBondContact N-O 2.91Å; L779-C794 PolarHBondContact O-N 3.23Å; F792-C794 HydrophobicContact CE2-CB 4.4Å |
| 795 | L | 89.4 | Confident | 86.6 | Confident | 99 Ų | 99 | 44.6 Ų | 44.6 | 52% | 0.518 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.9 | -179.8 | -59.5 | 179.8 | 0 | 0 | 0 | 109.4 | N777 N778 P797 | N777-L795 WeakPolarHBondContact O-CA 3.32Å; N778-L795 HydrophobicContact CB-CD2 4.21Å; L795-P797 WeakPolarHBondContact O-CD 3.27Å |
| 796 | I | 87.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 122.1 | 176.6 | -54.4 | 179.5 | 0 | 0 | 0 | 109 | F705 V740 N777 L779 L798 L801 | F705-I796 HydrophobicContact CE1-CG1 4.25Å; F705-I796 HydrophobicContact CE2-CG1 4.28Å; F705-I796 HydrophobicContact CZ-CG1 3.95Å; V740-I796 HydrophobicContact CB-CD1 4.33Å; V740-I796 HydrophobicContact CG1-CD1 4.38Å; V740-I796 HydrophobicContact CG2-CD1 3.93Å; N777-I796 WeakPolarHBondContact CB-O 3.06Å; N777-I796 PolarHBondContact O-N 2.86Å; L779-I796 HydrophobicContact CB-CD1 3.92Å; L779-I796 HydrophobicContact CB-CG1 3.91Å; L779-I796 HydrophobicContact CD1-CD1 4.42Å; L779-I796 HydrophobicContact CD2-CD1 4.03Å; L779-I796 HydrophobicContact CD2-CG1 4.27Å; L779-I796 HydrophobicContact CG-CD1 4.34Å; I796-L798 PolarHBondContact O-N 3.3Å; I796-L801 HydrophobicContact CG2-CD1 4.38Å |
| 797 | P | 84.8 | Confident | 85.6 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 21% | 0.208 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 122.5 | 168.5 | -21 | 34.8 | 0 | 0 | 0 | 110.6 | A685 F705 L795 N799 V800 | A685-P797 HydrophobicContact CB-CG 4.12Å; F705-P797 VanDerWaalsContact CD2-CD 3.45Å; F705-P797 HydrophobicContact CD2-CG 4.42Å; L795-P797 WeakPolarHBondContact O-CD 3.27Å; P797-N799 WeakPolarHBondContact CB-OD1 3.29Å; P797-N799 PolarHBondContact O-N 3.23Å; P797-V800 HydrophobicContact CB-CG2 4.5Å; P797-V800 WeakPolarHBondContact O-CB 3.49Å; P797-V800 PolarHBondContact O-N 2.99Å; P797-V800 VanDerWaalsContact O-N 3.15Å |
| 798 | L | 86.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -65.6 | -21.8 | -173.6 | -97.6 | 150.3 | 0 | 0 | 0 | 114.4 | F738 I796 V800 L801 F802 L869 Y902 V906 | F738-L798 HydrophobicContact CE1-CD2 4.19Å; F738-L798 HydrophobicContact CE2-CD2 4.33Å; F738-L798 HydrophobicContact CZ-CD2 3.78Å; I796-L798 PolarHBondContact O-N 3.3Å; L798-V800 PolarHBondContact O-N 2.86Å; L798-V800 VanDerWaalsContact O-N 3.13Å; L798-L801 HydrophobicContact CD2-CD1 3.89Å; L798-L801 HydrophobicContact CG-CD1 4.49Å; L798-L801 WeakPolarHBondContact O-CB 3.25Å; L798-L801 PolarHBondContact O-N 3.33Å; L798-F802 HydrophobicContact CB-CE1 4.34Å; L798-F802 WeakPolarHBondContact O-CD1 3.32Å; L798-F802 WeakPolarHBondContact O-CE1 3.41Å; L798-L869 HydrophobicContact CD2-CD1 4.28Å; L798-L869 HydrophobicContact CD2-CD2 3.99Å; L798-Y902 HydrophobicContact CD1-CG 3.95Å; L798-V906 HydrophobicContact CB-CG2 3.85Å |
| 799 | N | 83.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -57.7 | -26 | 174.4 | 60.5 | -60.3 | 0 | 0 | 0 | 112.9 | Y683 P797 L801 F802 V906 I910 | Y683-N799 PolarHBondContact O-ND2 3.4Å; Y683-N799 VanDerWaalsContact O-ND2 3.15Å; P797-N799 WeakPolarHBondContact CB-OD1 3.29Å; P797-N799 PolarHBondContact O-N 3.23Å; N799-L801 VanDerWaalsContact C-N 3.25Å; N799-L801 PolarHBondContact O-N 2.91Å; N799-F802 HydrophobicContact CB-CE2 4.31Å; N799-F802 PolarHBondContact O-N 3.44Å; N799-V906 HydrophobicContact CB-CG1 3.74Å; N799-V906 HydrophobicContact CB-CG2 4.46Å; N799-I910 HydrophobicContact CB-CD1 4.34Å |
| 800 | V | 85 | Confident | 85.4 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -75.2 | -18 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | F705 H707 I712 P797 L798 | F705-V800 HydrophobicContact CB-CG1 4.41Å; F705-V800 HydrophobicContact CB-CG2 4.01Å; H707-V800 HydrophobicContact CB-CG1 4.22Å; I712-V800 HydrophobicContact CB-CG1 4.08Å; I712-V800 HydrophobicContact CD1-CG1 4.29Å; I712-V800 WeakPolarHBondContact CD1-O 3.26Å; I712-V800 HydrophobicContact CG1-CG1 3.83Å; I712-V800 WeakPolarHBondContact CG1-O 3.32Å; I712-V800 HydrophobicContact CG2-CG1 3.39Å; P797-V800 HydrophobicContact CB-CG2 4.5Å; P797-V800 WeakPolarHBondContact O-CB 3.49Å; P797-V800 PolarHBondContact O-N 2.99Å; P797-V800 VanDerWaalsContact O-N 3.15Å; L798-V800 PolarHBondContact O-N 2.86Å; L798-V800 VanDerWaalsContact O-N 3.13Å |
| 801 | L | 84.7 | Confident | 85 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -95.7 | 8.7 | 178.6 | -63.3 | 168.3 | 0 | 0 | 0 | 112.9 | I712 F738 V740 T766 I796 L798 N799 T870 | I712-L801 HydrophobicContact CD1-CD2 3.71Å; F738-L801 HydrophobicContact CB-CD1 4.16Å; F738-L801 HydrophobicContact CD1-CD1 3.94Å; F738-L801 HydrophobicContact CD2-CD1 3.78Å; F738-L801 HydrophobicContact CE1-CD1 4.29Å; F738-L801 HydrophobicContact CE2-CD1 4.14Å; F738-L801 HydrophobicContact CG-CD1 3.68Å; F738-L801 HydrophobicContact CZ-CD1 4.39Å; V740-L801 HydrophobicContact CG2-CD2 4.39Å; T766-L801 HydrophobicContact CG2-CD2 4.08Å; I796-L801 HydrophobicContact CG2-CD1 4.38Å; L798-L801 HydrophobicContact CD2-CD1 3.89Å; L798-L801 HydrophobicContact CG-CD1 4.49Å; L798-L801 WeakPolarHBondContact O-CB 3.25Å; L798-L801 PolarHBondContact O-N 3.33Å; N799-L801 VanDerWaalsContact C-N 3.25Å; N799-L801 PolarHBondContact O-N 2.91Å; L801-T870 HydrophobicContact CD2-CG2 4.37Å; L801-T870 PolarHBondContact O-N 3.1Å; L801-T870 VanDerWaalsContact O-N 3.15Å |
| 802 | F | 87.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -84.2 | 123.9 | 180 | -65 | -2.2 | 0 | 0 | 0 | 110.6 | L798 N799 N847 N848 V849 L867 L869 I903 V906 | L798-F802 HydrophobicContact CB-CE1 4.34Å; L798-F802 WeakPolarHBondContact O-CD1 3.32Å; L798-F802 WeakPolarHBondContact O-CE1 3.41Å; N799-F802 HydrophobicContact CB-CE2 4.31Å; N799-F802 PolarHBondContact O-N 3.44Å; F802-N847 VanDerWaalsContact CD2-O 3.3Å; F802-N847 WeakPolarHBondContact CD2-O 3.09Å; F802-N848 HydrophobicContact CB-CB 3.88Å; F802-N848 PolarHBondContact O-ND2 2.99Å; F802-V849 HydrophobicContact CD2-CG2 3.84Å; F802-V849 HydrophobicContact CE2-CG2 3.7Å; F802-L867 HydrophobicContact CD1-CD1 4.23Å; F802-L867 HydrophobicContact CE1-CD1 3.95Å; F802-L867 HydrophobicContact CE2-CD2 4.24Å; F802-L867 HydrophobicContact CZ-CD1 4.14Å; F802-L867 HydrophobicContact CZ-CD2 4.25Å; F802-L869 HydrophobicContact CD1-CD2 3.59Å; F802-L869 HydrophobicContact CE1-CD2 3.65Å; F802-I903 HydrophobicContact CE1-CD1 3.65Å; F802-I903 HydrophobicContact CZ-CD1 3.71Å; F802-V906 HydrophobicContact CE2-CG1 3.98Å; F802-V906 HydrophobicContact CZ-CG1 3.93Å |
| 803 | V | 83.4 | Confident | 84.5 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | trans | -87.9 | 150.8 | -178.2 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | D805 G806 K868 T870 | V803-D805 HydrophobicContact CG2-CB 4.48Å; V803-D805 PolarHBondContact O-N 3.32Å; V803-G806 PolarHBondContact O-N 3.2Å; V803-K868 HydrophobicContact CG2-CB 3.69Å; V803-K868 HydrophobicContact CG2-CD 3.76Å; V803-K868 HydrophobicContact CG2-CG 3.74Å; V803-K868 WeakPolarHBondContact CG2-O 3.23Å; V803-K868 PolarHBondContact N-O 3.38Å; V803-K868 VanDerWaalsContact N-O 3.07Å; V803-T870 HydrophobicContact CG1-CG2 3.8Å | ||
| 804 | E | 77.6 | Confident | 84.2 | Confident | 120 Ų | 120 | 56.6 Ų | 56.6 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -66.8 | -24.8 | 177.6 | -62.4 | -177 | 177.9 | 0 | 0 | 112.6 | G806 Y850 | E804-G806 PolarHBondContact O-N 2.91Å; E804-Y850 WeakPolarHBondContact CA-OH 3.46Å; E804-Y850 PolarHBondContact O-OH 3.29Å; E804-Y850 VanDerWaalsContact O-OH 3.11Å |
| 805 | D | 79.5 | Confident | 83.9 | Confident | 105 Ų | 105 | 59.3 Ų | 59.3 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 35.1 | 172.1 | -173.3 | 46.7 | 0 | 0 | 0 | 112.6 | V803 K868 | V803-D805 HydrophobicContact CG2-CB 4.48Å; V803-D805 PolarHBondContact O-N 3.32Å; D805-K868 WeakPolarHBondContact O-CD 3.42Å; D805-K868 IonicContact OD2-NZ 3.42Å; D805-K868 PolarHBondContact OD2-NZ 3.03Å |
| 806 | G | 72.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V803 E804 S866 | V803-G806 PolarHBondContact O-N 3.2Å; E804-G806 PolarHBondContact O-N 2.91Å; G806-S866 PolarHBondContact O-OG 3.17Å |
| 807 | K | 83.3 | Confident | 83.6 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 67% | 0.67 | 29% | 0.289 | S | S | * | . | trans | -85.6 | 114.5 | -176.1 | -172.5 | 178.7 | -179.9 | -179.1 | 0 | 110.9 | Y850 | K807-Y850 HydrophobicContact CB-CD1 4.23Å; K807-Y850 HydrophobicContact CB-CD2 3.97Å; K807-Y850 HydrophobicContact CB-CE2 4.41Å; K807-Y850 HydrophobicContact CB-CG 3.86Å; K807-Y850 HydrophobicContact CG-CG 4.27Å | ||
| 808 | M | 85.1 | Confident | 83.6 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | trans | -97.8 | 144.1 | 178.2 | -162.3 | 177.1 | -68.1 | 0 | 0 | 111.8 | V812 F813 I852 S866 W874 L876 | M808-V812 HydrophobicContact CG-CB 3.85Å; M808-V812 HydrophobicContact CG-CG1 3.78Å; M808-V812 HydrophobicContact SD-CB 4.26Å; M808-V812 HydrophobicContact SD-CG1 3.82Å; M808-F813 HydrophobicContact CG-CB 4.38Å; M808-F813 WeakPolarHBondContact SD-CA 2.87Å; M808-F813 HydrophobicContact SD-CB 4.01Å; M808-F813 HydrophobicContact SD-CD2 4.41Å; M808-F813 PolarHBondContact SD-N 3.48Å; M808-I852 HydrophobicContact CB-CD1 3.99Å; M808-S866 PolarHBondContact N-OG 3.47Å; M808-W874 HydrophobicContact CB-CZ3 4.28Å; M808-W874 HydrophobicContact CE-CB 4.41Å; M808-W874 HydrophobicContact CE-CD2 3.47Å; M808-W874 VanDerWaalsContact CE-CD2 3.47Å; M808-W874 HydrophobicContact CE-CE3 3.21Å; M808-W874 HydrophobicContact CE-CG 4.03Å; M808-W874 HydrophobicContact CE-CH2 4.14Å; M808-W874 HydrophobicContact CE-CZ2 4.36Å; M808-W874 HydrophobicContact CE-CZ3 3.57Å; M808-L876 HydrophobicContact CE-CD2 4.03Å; M808-L876 HydrophobicContact SD-CD2 4.32Å | ||
| 809 | E | 85.4 | Confident | 83.5 | Confident | 141 Ų | 141 | 69 Ų | 69 | 66% | 0.659 | 34% | 0.339 | S | S | * | . | trans | -70.8 | 149.2 | 170.9 | -67.8 | -171.2 | 175.9 | 0 | 0 | 111.4 | Q811 V812 F813 | E809-Q811 VanDerWaalsContact C-N 3.29Å; E809-Q811 PolarHBondContact O-N 3.29Å; E809-V812 HydrophobicContact CB-CG2 4.23Å; E809-V812 PolarHBondContact O-N 3.24Å; E809-V812 VanDerWaalsContact O-N 3.14Å; E809-F813 PolarHBondContact O-N 3.44Å | ||
| 810 | R | 83.3 | Confident | 83.5 | Confident | 128 Ų | 128 | 68.4 Ų | 68.4 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.4 | -36.8 | -175.5 | -173.4 | 178.3 | 179.6 | 128.1 | -7.3 | 113.7 | L814 I852 | R810-L814 WeakPolarHBondContact O-CG 2.92Å; R810-L814 PolarHBondContact O-N 2.93Å; R810-I852 HydrophobicContact CB-CG2 4.06Å; R810-I852 HydrophobicContact CG-CG2 4.36Å |
| 811 | Q | 83 | Confident | 83.4 | Confident | 161 Ų | 161 | 71.8 Ų | 71.8 | 75% | 0.752 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.2 | -43.4 | 178.5 | -70 | -176.9 | -15.2 | 0 | 0 | 111.4 | E809 L814 A815 | E809-Q811 VanDerWaalsContact C-N 3.29Å; E809-Q811 PolarHBondContact O-N 3.29Å; Q811-L814 PolarHBondContact O-N 3.21Å; Q811-A815 PolarHBondContact O-N 2.82Å; Q811-A815 VanDerWaalsContact O-N 3.12Å |
| 812 | V | 84.7 | Confident | 83.1 | Confident | 70 Ų | 70 | 77.6 Ų | 77.6 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | M808 E809 L814 A815 T816 | M808-V812 HydrophobicContact CG-CB 3.85Å; M808-V812 HydrophobicContact CG-CG1 3.78Å; M808-V812 HydrophobicContact SD-CB 4.26Å; M808-V812 HydrophobicContact SD-CG1 3.82Å; E809-V812 HydrophobicContact CB-CG2 4.23Å; E809-V812 PolarHBondContact O-N 3.24Å; E809-V812 VanDerWaalsContact O-N 3.14Å; V812-L814 PolarHBondContact O-N 3.22Å; V812-A815 PolarHBondContact O-N 3.14Å; V812-T816 WeakPolarHBondContact O-CB 3.33Å; V812-T816 PolarHBondContact O-N 2.92Å; V812-T816 PolarHBondContact O-OG1 2.78Å |
| 813 | F | 87.2 | Confident | 82.6 | Confident | 8 Ų | 8 | 86.1 Ų | 86.1 | 4% | 0.035 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 175.5 | -178.4 | -90.7 | 0 | 0 | 0 | 112.5 | M808 E809 A815 T816 W817 I852 Y864 Q865 L876 | M808-F813 HydrophobicContact CG-CB 4.38Å; M808-F813 WeakPolarHBondContact SD-CA 2.87Å; M808-F813 HydrophobicContact SD-CB 4.01Å; M808-F813 HydrophobicContact SD-CD2 4.41Å; M808-F813 PolarHBondContact SD-N 3.48Å; E809-F813 PolarHBondContact O-N 3.44Å; F813-A815 VanDerWaalsContact C-N 3.34Å; F813-A815 PolarHBondContact O-N 3.37Å; F813-T816 PolarHBondContact O-N 3.17Å; F813-W817 HydrophobicContact CE1-CD2 4.36Å; F813-W817 AromaticContact CE1-CE3 3.89Å; F813-W817 HydrophobicContact CE1-CE3 3.89Å; F813-W817 HydrophobicContact CE2-CE3 4.21Å; F813-W817 HydrophobicContact CZ-CD2 4.37Å; F813-W817 AromaticContact CZ-CE3 3.48Å; F813-W817 HydrophobicContact CZ-CE3 3.48Å; F813-W817 VanDerWaalsContact CZ-CE3 3.48Å; F813-W817 AromaticContact CZ-CZ3 3.86Å; F813-W817 HydrophobicContact CZ-CZ3 3.86Å; F813-W817 WeakPolarHBondContact O-CB 3.12Å; F813-W817 PolarHBondContact O-N 3.24Å; F813-I852 HydrophobicContact CB-CD1 3.88Å; F813-I852 HydrophobicContact CD2-CD1 3.19Å; F813-I852 HydrophobicContact CE2-CD1 3.83Å; F813-I852 HydrophobicContact CG-CD1 3.66Å; F813-Y864 AromaticContact CE1-CD1 3.97Å; F813-Y864 HydrophobicContact CE1-CD1 3.97Å; F813-Y864 HydrophobicContact CE1-CG 4.27Å; F813-Y864 HydrophobicContact CZ-CD1 4.13Å; F813-Y864 HydrophobicContact CZ-CG 4.49Å; F813-Q865 WeakPolarHBondContact CE2-O 3.19Å; F813-L876 HydrophobicContact CD2-CD1 4.49Å; F813-L876 HydrophobicContact CD2-CD2 3.76Å; F813-L876 HydrophobicContact CE2-CB 3.92Å; F813-L876 HydrophobicContact CE2-CD1 4.32Å; F813-L876 HydrophobicContact CE2-CD2 3.72Å; F813-L876 HydrophobicContact CE2-CG 4.19Å; F813-L876 HydrophobicContact CZ-CB 4.38Å |
| 814 | L | 84.1 | Confident | 82.5 | Confident | 80 Ų | 80 | 86.4 Ų | 86.4 | 42% | 0.419 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.5 | -34.3 | 179.1 | -71.2 | 171.7 | 0 | 0 | 0 | 112.7 | R810 Q811 V812 K818 | R810-L814 WeakPolarHBondContact O-CG 2.92Å; R810-L814 PolarHBondContact O-N 2.93Å; Q811-L814 PolarHBondContact O-N 3.21Å; V812-L814 PolarHBondContact O-N 3.22Å; L814-K818 WeakPolarHBondContact O-CG 3.21Å; L814-K818 PolarHBondContact O-N 2.93Å |
| 815 | A | 84.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 83 Ų | 83 | 50% | 0.496 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67 | -51.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q811 V812 F813 W817 K818 D819 | Q811-A815 PolarHBondContact O-N 2.82Å; Q811-A815 VanDerWaalsContact O-N 3.12Å; V812-A815 PolarHBondContact O-N 3.14Å; F813-A815 VanDerWaalsContact C-N 3.34Å; F813-A815 PolarHBondContact O-N 3.37Å; A815-W817 VanDerWaalsContact C-N 3.34Å; A815-W817 PolarHBondContact O-N 3.49Å; A815-K818 PolarHBondContact O-N 3.08Å; A815-D819 WeakPolarHBondContact O-CB 2.77Å; A815-D819 PolarHBondContact O-N 3.04Å |
| 816 | T | 84.6 | Confident | 83.2 | Confident | 30 Ų | 30 | 81.2 Ų | 81.2 | 18% | 0.184 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 179.5 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | V812 F813 K818 D819 I820 L876 | V812-T816 WeakPolarHBondContact O-CB 3.33Å; V812-T816 PolarHBondContact O-N 2.92Å; V812-T816 PolarHBondContact O-OG1 2.78Å; F813-T816 PolarHBondContact O-N 3.17Å; T816-K818 VanDerWaalsContact C-N 3.29Å; T816-K818 PolarHBondContact O-N 3.44Å; T816-D819 PolarHBondContact O-N 3.24Å; T816-I820 HydrophobicContact CG2-CD1 4.24Å; T816-I820 WeakPolarHBondContact O-CG1 2.93Å; T816-I820 PolarHBondContact O-N 2.87Å; T816-L876 HydrophobicContact CG2-CD1 4Å |
| 817 | W | 84.7 | Confident | 84 | Confident | 42 Ų | 42 | 86.6 Ų | 86.6 | 16% | 0.159 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.1 | -32 | 176.6 | -172.1 | -81.6 | 0 | 0 | 0 | 113 | F813 A815 L876 E878 K893 | F813-W817 HydrophobicContact CE1-CD2 4.36Å; F813-W817 AromaticContact CE1-CE3 3.89Å; F813-W817 HydrophobicContact CE1-CE3 3.89Å; F813-W817 HydrophobicContact CE2-CE3 4.21Å; F813-W817 HydrophobicContact CZ-CD2 4.37Å; F813-W817 AromaticContact CZ-CE3 3.48Å; F813-W817 HydrophobicContact CZ-CE3 3.48Å; F813-W817 VanDerWaalsContact CZ-CE3 3.48Å; F813-W817 AromaticContact CZ-CZ3 3.86Å; F813-W817 HydrophobicContact CZ-CZ3 3.86Å; F813-W817 WeakPolarHBondContact O-CB 3.12Å; F813-W817 PolarHBondContact O-N 3.24Å; A815-W817 VanDerWaalsContact C-N 3.34Å; A815-W817 PolarHBondContact O-N 3.49Å; W817-L876 HydrophobicContact CB-CD1 4.1Å; W817-L876 HydrophobicContact CE3-CB 3.61Å; W817-L876 HydrophobicContact CE3-CD1 3.83Å; W817-L876 HydrophobicContact CE3-CG 4.38Å; W817-L876 HydrophobicContact CZ3-CB 3.64Å; W817-E878 HydrophobicContact CH2-CB 3.75Å; W817-E878 HydrophobicContact CZ2-CB 4.39Å; W817-K893 HydrophobicContact CD2-CD 4.01Å; W817-K893 HydrophobicContact CE3-CD 4.32Å; W817-K893 HydrophobicContact CH2-CD 4.17Å; W817-K893 HydrophobicContact CH2-CG 4.19Å; W817-K893 HydrophobicContact CZ2-CD 3.86Å; W817-K893 HydrophobicContact CZ2-CG 4.3Å; W817-K893 HydrophobicContact CZ3-CB 4.43Å; W817-K893 HydrophobicContact CZ3-CD 4.4Å; W817-K893 HydrophobicContact CZ3-CG 4.44Å |
| 818 | K | 84.6 | Confident | 84.2 | Confident | 177 Ų | 177 | 81.2 Ų | 81.2 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -81.9 | -30.2 | 176 | -73.3 | 179.1 | 179 | -173.4 | 0 | 112.9 | L814 A815 T816 | L814-K818 WeakPolarHBondContact O-CG 3.21Å; L814-K818 PolarHBondContact O-N 2.93Å; A815-K818 PolarHBondContact O-N 3.08Å; T816-K818 VanDerWaalsContact C-N 3.29Å; T816-K818 PolarHBondContact O-N 3.44Å |
| 819 | D | 85.7 | Confident | 84.3 | Confident | 97 Ų | 97 | 86 Ų | 86 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.5 | -35.9 | 179.3 | -176.5 | 66.6 | 0 | 0 | 0 | 112.4 | A815 T816 P821 R895 | A815-D819 WeakPolarHBondContact O-CB 2.77Å; A815-D819 PolarHBondContact O-N 3.04Å; T816-D819 PolarHBondContact O-N 3.24Å; D819-P821 WeakPolarHBondContact O-CD 3.28Å; D819-R895 IonicContact OD2-CZ 3.5Å; D819-R895 IonicContact OD2-NE 3.69Å; D819-R895 IonicContact OD2-NH2 2.84Å; D819-R895 PolarHBondContact OD2-NH2 2.94Å |
| 820 | I | 83.9 | Confident | 84.2 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -76.2 | 122.9 | 178.5 | -61.3 | 170.4 | 0 | 0 | 0 | 110 | T816 N824 L876 K893 R895 | T816-I820 HydrophobicContact CG2-CD1 4.24Å; T816-I820 WeakPolarHBondContact O-CG1 2.93Å; T816-I820 PolarHBondContact O-N 2.87Å; I820-N824 HydrophobicContact CG2-CB 4.06Å; I820-L876 HydrophobicContact CD1-CD1 4.2Å; I820-K893 HydrophobicContact CG2-CB 4.45Å; I820-R895 HydrophobicContact CD1-CG 4.37Å; I820-R895 HydrophobicContact CG1-CG 4.13Å |
| 821 | P | 81.9 | Confident | 84 | Confident | 74 Ų | 74 | 79 Ų | 79 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | trans | -55.9 | 145.1 | 177.6 | -24.7 | 33.5 | 0 | 0 | 0 | 112.7 | D819 E823 N824 | D819-P821 WeakPolarHBondContact O-CD 3.28Å; P821-E823 PolarHBondContact O-N 3.35Å; P821-N824 PolarHBondContact O-N 2.98Å; P821-N824 VanDerWaalsContact O-N 3.11Å | ||
| 822 | N | 77.7 | Confident | 83.4 | Confident | 124 Ų | 124 | 78.5 Ų | 78.5 | 66% | 0.663 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -66 | -19.2 | 179.3 | -68.6 | -26.8 | 0 | 0 | 0 | 113.3 | N824 E825 K893 | N822-N824 PolarHBondContact O-N 3.05Å; N822-E825 WeakPolarHBondContact O-CB 3.36Å; N822-E825 PolarHBondContact O-N 3.42Å; N822-K893 PolarHBondContact OD1-NZ 3.04Å |
| 823 | E | 78.1 | Confident | 82.9 | Confident | 181 Ų | 181 | 75.3 Ų | 75.3 | 85% | 0.846 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -64 | -24.9 | 173.5 | -65 | 174 | -173.4 | 0 | 0 | 112.6 | P821 E825 | P821-E823 PolarHBondContact O-N 3.35Å; E823-E825 VanDerWaalsContact C-N 3.31Å |
| 824 | N | 81.3 | Confident | 82.1 | Confident | 43 Ų | 43 | 82.6 Ų | 82.6 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -91.9 | 12.4 | 177.6 | -68.2 | -19.6 | 0 | 0 | 0 | 113 | I820 P821 N822 | I820-N824 HydrophobicContact CG2-CB 4.06Å; P821-N824 PolarHBondContact O-N 2.98Å; P821-N824 VanDerWaalsContact O-N 3.11Å; N822-N824 PolarHBondContact O-N 3.05Å |
| 825 | E | 85.6 | Confident | 81.8 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 23% | 0.229 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.9 | 173.3 | -168.8 | -178.6 | 147 | 0 | 0 | 110.6 | N822 E823 Q827 L892 K893 | N822-E825 WeakPolarHBondContact O-CB 3.36Å; N822-E825 PolarHBondContact O-N 3.42Å; E823-E825 VanDerWaalsContact C-N 3.31Å; E825-Q827 PolarHBondContact OE1-NE2 3.47Å; E825-L892 WeakPolarHBondContact CA-O 3.44Å; E825-K893 HydrophobicContact CB-CD 4.48Å; E825-K893 HydrophobicContact CB-CG 3.93Å; E825-K893 HydrophobicContact CG-CD 4.46Å; E825-K893 HydrophobicContact CG-CG 3.8Å; E825-K893 WeakPolarHBondContact OE2-CE 3.28Å; E825-K893 IonicContact OE2-NZ 2.82Å |
| 826 | L | 86 | Confident | 81.5 | Confident | 67 Ų | 67 | 83.3 Ų | 83.3 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.5 | 175.6 | -66.7 | 173.6 | 0 | 0 | 0 | 110.1 | F828 S891 L892 P897 | L826-F828 HydrophobicContact CB-CE2 3.63Å; L826-F828 HydrophobicContact CB-CZ 3.87Å; L826-F828 HydrophobicContact CD1-CZ 4.33Å; L826-S891 WeakPolarHBondContact O-CA 3.48Å; L826-L892 PolarHBondContact N-O 2.92Å; L826-L892 PolarHBondContact O-N 3.33Å; L826-P897 HydrophobicContact CD1-CB 4.44Å |
| 827 | Q | 88.7 | Confident | 81.2 | Confident | 113 Ų | 113 | 82 Ų | 82 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.8 | 179.3 | -58.5 | -167.8 | 1.9 | 0 | 0 | 110.8 | E825 L890 | E825-Q827 PolarHBondContact OE1-NE2 3.47Å; Q827-L890 CarbonylContact C-O 3.58Å; Q827-L890 WeakPolarHBondContact CA-O 3.49Å |
| 828 | F | 88.2 | Confident | 81 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 18% | 0.184 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154.1 | -179.9 | -57.3 | -83.2 | 0 | 0 | 0 | 110.7 | L826 L890 L892 Y904 | L826-F828 HydrophobicContact CB-CE2 3.63Å; L826-F828 HydrophobicContact CB-CZ 3.87Å; L826-F828 HydrophobicContact CD1-CZ 4.33Å; F828-L890 PolarHBondContact N-O 3.34Å; F828-L890 PolarHBondContact O-N 2.91Å; F828-L892 HydrophobicContact CD2-CD1 4.16Å; F828-L892 HydrophobicContact CE2-CD1 4Å; F828-Y904 HydrophobicContact CB-CD2 3.29Å; F828-Y904 HydrophobicContact CB-CE2 3.63Å; F828-Y904 HydrophobicContact CB-CG 3.86Å; F828-Y904 HydrophobicContact CD1-CD1 4.09Å; F828-Y904 HydrophobicContact CD1-CD2 4.16Å; F828-Y904 AromaticContact CD1-CG 3.84Å; F828-Y904 HydrophobicContact CD1-CG 3.84Å; F828-Y904 HydrophobicContact CD2-CD2 4.38Å; F828-Y904 HydrophobicContact CD2-CG 4.27Å; F828-Y904 HydrophobicContact CE1-CG 4.47Å; F828-Y904 HydrophobicContact CG-CD1 4.43Å; F828-Y904 AromaticContact CG-CD2 3.71Å; F828-Y904 HydrophobicContact CG-CD2 3.71Å; F828-Y904 HydrophobicContact CG-CE2 4.37Å; F828-Y904 AromaticContact CG-CG 3.73Å; F828-Y904 HydrophobicContact CG-CG 3.73Å |
| 829 | Q | 86.3 | Confident | 80.8 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 54% | 0.542 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.2 | 175.3 | -69.4 | -173.4 | -1.7 | 0 | 0 | 110.5 | Y888 Y904 | Q829-Y888 WeakPolarHBondContact CA-O 3.49Å; Q829-Y904 PolarHBondContact O-OH 3.27Å |
| 830 | I | 84.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.3 | 173.4 | -57.7 | 176.1 | 0 | 0 | 0 | 107.2 | C833 N887 Y888 L890 Y904 L911 | I830-C833 VanDerWaalsContact CG2-SG 3.58Å; I830-N887 CarbonylContact O-C 3.41Å; I830-N887 WeakPolarHBondContact O-CA 3.26Å; I830-Y888 PolarHBondContact N-O 3.24Å; I830-Y888 PolarHBondContact O-N 3.23Å; I830-L890 HydrophobicContact CD1-CB 4.23Å; I830-L890 HydrophobicContact CD1-CD2 4.24Å; I830-Y904 HydrophobicContact CG1-CD2 4.22Å; I830-Y904 HydrophobicContact CG1-CE2 3.77Å; I830-L911 HydrophobicContact CD1-CD1 3.82Å |
| 831 | K | 80 | Confident | 80.7 | Confident | 120 Ų | 120 | 75.3 Ų | 75.3 | 52% | 0.522 | 38% | 0.378 | S | S | . | . | trans | -97 | 153.9 | -177.2 | -59.2 | -177.7 | -179 | 177 | 0 | 111.2 | N887 K912 | K831-N887 WeakPolarHBondContact CA-OD1 3.5Å; K831-K912 VanDerWaalsContact O-CE 3.22Å; K831-K912 WeakPolarHBondContact O-CE 3.16Å | ||
| 832 | E | 70.4 | Confident | 80.7 | Confident | 152 Ų | 152 | 75 Ų | 75 | 71% | 0.71 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 66.6 | 38.3 | 172.7 | -54.7 | -179 | 163.9 | 0 | 0 | 115.3 | P886 | E832-P886 PolarHBondContact N-O 2.76Š|
| 833 | C | 72.3 | Confident | 81 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | trans | -106.1 | 125.8 | 174 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | I830 P886 Y888 | I830-C833 VanDerWaalsContact CG2-SG 3.58Å; C833-P886 PolarHBondContact N-O 3.16Å; C833-P886 WeakPolarHBondContact O-CA 3.25Å; C833-Y888 HydrophobicContact CB-CD2 3.78Å; C833-Y888 HydrophobicContact CB-CE1 4.23Å; C833-Y888 HydrophobicContact CB-CE2 3.41Å; C833-Y888 VanDerWaalsContact CB-CE2 3.41Å; C833-Y888 HydrophobicContact CB-CG 4.37Å; C833-Y888 PolarHBondContact O-OH 3.23Å | ||
| 834 | H | 71.5 | Confident | 81.3 | Confident | 160 Ų | 160 | 63.3 Ų | 63.3 | 74% | 0.741 | 32% | 0.318 | S | S | * | . | trans | -115.8 | 38.7 | 178.5 | -63.7 | -70.2 | 0 | 0 | 0 | 112.4 | ||||
| 835 | L | 77.2 | Confident | 81.4 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | trans | -107.6 | 131.4 | -174.7 | -62.8 | 176.5 | 0 | 0 | 0 | 112.3 | T839 V840 K843 Y888 L911 | L835-T839 HydrophobicContact CD2-CG2 4.23Å; L835-V840 HydrophobicContact CB-CG2 3.61Å; L835-V840 HydrophobicContact CD1-CG2 4.46Å; L835-K843 HydrophobicContact CD1-CD 4.06Å; L835-Y888 PolarHBondContact N-OH 3.49Å; L835-Y888 PolarHBondContact O-OH 2.97Å; L835-L911 VanDerWaalsContact CD1-O 3.28Å; L835-L911 WeakPolarHBondContact CD1-O 3.46Å | ||
| 836 | N | 78.5 | Confident | 81.3 | Confident | 120 Ų | 120 | 68 Ų | 68 | 64% | 0.642 | 34% | 0.341 | S | S | * | . | trans | -65.9 | 152.9 | 175.3 | -67.9 | -26.4 | 0 | 0 | 0 | 111.8 | D838 T839 V840 | N836-D838 PolarHBondContact O-N 3.22Å; N836-D838 VanDerWaalsContact O-N 3.12Å; N836-T839 WeakPolarHBondContact O-CB 3.4Å; N836-T839 PolarHBondContact O-N 3.47Å; N836-V840 WeakPolarHBondContact O-CG2 2.82Å; N836-V840 PolarHBondContact O-N 3.29Å | ||
| 837 | A | 77.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.8 | -32.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S841 D861 L863 I881 | A837-S841 WeakPolarHBondContact O-CB 3.38Å; A837-S841 PolarHBondContact O-N 3.44Å; A837-S841 PolarHBondContact O-OG 2.91Å; A837-D861 HydrophobicContact CB-CB 3.79Å; A837-D861 VanDerWaalsContact CB-OD2 3.29Å; A837-D861 WeakPolarHBondContact CB-OD2 3.49Å; A837-L863 HydrophobicContact CB-CD1 4.24Å; A837-L863 HydrophobicContact CB-CD2 4.41Å; A837-I881 HydrophobicContact CB-CD1 4.05Å |
| 838 | D | 80.1 | Confident | 81 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.6 | -39.5 | 177.3 | -59.3 | -44.7 | 0 | 0 | 0 | 111.7 | N836 S841 S842 K854 | N836-D838 PolarHBondContact O-N 3.22Å; N836-D838 VanDerWaalsContact O-N 3.12Å; D838-S841 PolarHBondContact O-N 3.29Å; D838-S842 PolarHBondContact O-N 3.21Å; D838-S842 PolarHBondContact O-OG 3.36Å; D838-K854 VanDerWaalsContact CG-NZ 3.27Å; D838-K854 IonicContact OD1-NZ 2.71Å; D838-K854 PolarHBondContact OD1-NZ 3.09Å; D838-K854 IonicContact OD2-NZ 3.21Å; D838-K854 PolarHBondContact OD2-NZ 2.81Å |
| 839 | T | 81.7 | Confident | 80.9 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 175 | -48.1 | 0 | 0 | 0 | 0 | 111.6 | L835 N836 S842 K843 | L835-T839 HydrophobicContact CD2-CG2 4.23Å; N836-T839 WeakPolarHBondContact O-CB 3.4Å; N836-T839 PolarHBondContact O-N 3.47Å; T839-S842 PolarHBondContact O-N 3.26Å; T839-K843 WeakPolarHBondContact O-CB 3.42Å; T839-K843 PolarHBondContact O-N 3.17Å |
| 840 | V | 83.2 | Confident | 81 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 173.9 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | L835 N836 S842 K843 L844 L863 L879 I881 Y888 L911 | L835-V840 HydrophobicContact CB-CG2 3.61Å; L835-V840 HydrophobicContact CD1-CG2 4.46Å; N836-V840 WeakPolarHBondContact O-CG2 2.82Å; N836-V840 PolarHBondContact O-N 3.29Å; V840-S842 PolarHBondContact O-N 3.38Å; V840-K843 PolarHBondContact O-N 3.22Å; V840-L844 HydrophobicContact CG1-CD1 3.66Å; V840-L844 HydrophobicContact CG1-CG 4.47Å; V840-L844 WeakPolarHBondContact O-CB 3.04Å; V840-L844 WeakPolarHBondContact O-CG 3.37Å; V840-L844 PolarHBondContact O-N 3.39Å; V840-L863 HydrophobicContact CB-CD1 4.45Å; V840-L863 HydrophobicContact CG1-CD1 4.03Å; V840-L879 HydrophobicContact CG1-CD2 3.6Å; V840-I881 HydrophobicContact CB-CD1 4.27Å; V840-I881 HydrophobicContact CG1-CD1 4.26Å; V840-I881 HydrophobicContact CG2-CD1 4.09Å; V840-Y888 HydrophobicContact CG2-CE2 4.19Å; V840-L911 HydrophobicContact CB-CD2 4.4Å; V840-L911 HydrophobicContact CG1-CD2 3.84Å; V840-L911 HydrophobicContact CG2-CD2 4.17Å |
| 841 | S | 83.8 | Confident | 81.2 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | A837 D838 Q845 | A837-S841 WeakPolarHBondContact O-CB 3.38Å; A837-S841 PolarHBondContact O-N 3.44Å; A837-S841 PolarHBondContact O-OG 2.91Å; D838-S841 PolarHBondContact O-N 3.29Å; S841-Q845 VanDerWaalsContact O-CB 3.24Å; S841-Q845 WeakPolarHBondContact O-CB 3.5Å; S841-Q845 PolarHBondContact O-N 3.42Å |
| 842 | S | 83.1 | Confident | 81.6 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 176.8 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | D838 T839 V840 Q845 N846 | D838-S842 PolarHBondContact O-N 3.21Å; D838-S842 PolarHBondContact O-OG 3.36Å; T839-S842 PolarHBondContact O-N 3.26Å; V840-S842 PolarHBondContact O-N 3.38Å; S842-Q845 PolarHBondContact O-N 3.18Å; S842-N846 VanDerWaalsContact O-CG 3.31Å; S842-N846 PolarHBondContact O-N 2.99Å; S842-N846 VanDerWaalsContact O-N 3.11Å |
| 843 | K | 82.5 | Confident | 82.3 | Confident | 59 Ų | 59 | 46.6 Ų | 46.6 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -42.1 | 177.2 | -83.6 | -167.4 | 169.5 | -163.9 | 0 | 112.3 | L835 T839 V840 N846 N847 N913 | L835-K843 HydrophobicContact CD1-CD 4.06Å; T839-K843 WeakPolarHBondContact O-CB 3.42Å; T839-K843 PolarHBondContact O-N 3.17Å; V840-K843 PolarHBondContact O-N 3.22Å; K843-N846 PolarHBondContact O-N 3.35Å; K843-N847 PolarHBondContact O-ND2 3.08Å; K843-N913 PolarHBondContact NZ-O 2.82Å; K843-N913 PolarHBondContact NZ-OXT 3.47Å |
| 844 | L | 83.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.2 | -38.6 | 178.2 | -73.9 | 171.8 | 0 | 0 | 0 | 111.5 | V840 N846 N847 V849 L879 Y907 I910 L911 | V840-L844 HydrophobicContact CG1-CD1 3.66Å; V840-L844 HydrophobicContact CG1-CG 4.47Å; V840-L844 WeakPolarHBondContact O-CB 3.04Å; V840-L844 WeakPolarHBondContact O-CG 3.37Å; V840-L844 PolarHBondContact O-N 3.39Å; L844-N846 VanDerWaalsContact C-N 3.3Å; L844-N846 PolarHBondContact O-N 3.2Å; L844-N847 CarbonylContact O-C 3.59Å; L844-N847 WeakPolarHBondContact O-CA 3.31Å; L844-N847 PolarHBondContact O-N 3.5Å; L844-V849 CarbonylContact C-O 3.6Å; L844-V849 VanDerWaalsContact C-O 3.3Å; L844-V849 HydrophobicContact CB-CB 3.95Å; L844-V849 HydrophobicContact CB-CG1 4.07Å; L844-V849 HydrophobicContact CD2-CB 4.46Å; L844-V849 HydrophobicContact CD2-CG1 4.48Å; L844-V849 WeakPolarHBondContact O-CB 3.31Å; L844-V849 PolarHBondContact O-N 3.08Å; L844-L879 HydrophobicContact CD1-CD2 4.5Å; L844-Y907 HydrophobicContact CD1-CD1 4.29Å; L844-Y907 HydrophobicContact CD1-CE1 3.87Å; L844-Y907 HydrophobicContact CD2-CD1 4.11Å; L844-Y907 HydrophobicContact CD2-CE1 4.04Å; L844-I910 HydrophobicContact CD2-CG2 3.99Å; L844-L911 HydrophobicContact CD1-CD2 4.36Å; L844-L911 HydrophobicContact CG-CD2 4.29Å |
| 845 | Q | 84.2 | Confident | 83.6 | Confident | 108 Ų | 108 | 48.4 Ų | 48.4 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.7 | -35.4 | 175.7 | -172.2 | 174.8 | -0.6 | 0 | 0 | 113 | S841 S842 N847 N848 V849 Y850 | S841-Q845 VanDerWaalsContact O-CB 3.24Å; S841-Q845 WeakPolarHBondContact O-CB 3.5Å; S841-Q845 PolarHBondContact O-N 3.42Å; S842-Q845 PolarHBondContact O-N 3.18Å; Q845-N847 PolarHBondContact O-N 3.27Å; Q845-N848 PolarHBondContact O-N 2.62Å; Q845-N848 VanDerWaalsContact O-N 3.15Å; Q845-V849 WeakPolarHBondContact CA-O 3.44Å; Q845-V849 PolarHBondContact N-O 3.41Å; Q845-Y850 HydrophobicContact CG-CD1 4.38Å |
| 846 | N | 82.8 | Confident | 83.7 | Confident | 81 Ų | 81 | 51.5 Ų | 51.5 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.3 | 173.4 | -69.2 | -14 | 0 | 0 | 0 | 113.5 | S842 K843 L844 | S842-N846 VanDerWaalsContact O-CG 3.31Å; S842-N846 PolarHBondContact O-N 2.99Å; S842-N846 VanDerWaalsContact O-N 3.11Å; K843-N846 PolarHBondContact O-N 3.35Å; L844-N846 VanDerWaalsContact C-N 3.3Å; L844-N846 PolarHBondContact O-N 3.2Å |
| 847 | N | 82.6 | Confident | 83.6 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 26.1 | 176.2 | -70 | -82.9 | 0 | 0 | 0 | 111.7 | Y683 F802 K843 L844 Q845 V849 I910 | Y683-N847 WeakPolarHBondContact CB-OD1 3.43Å; Y683-N847 PolarHBondContact N-OD1 3.3Å; F802-N847 VanDerWaalsContact CD2-O 3.3Å; F802-N847 WeakPolarHBondContact CD2-O 3.09Å; K843-N847 PolarHBondContact O-ND2 3.08Å; L844-N847 CarbonylContact O-C 3.59Å; L844-N847 WeakPolarHBondContact O-CA 3.31Å; L844-N847 PolarHBondContact O-N 3.5Å; Q845-N847 PolarHBondContact O-N 3.27Å; N847-V849 VanDerWaalsContact C-N 3.26Å; N847-V849 PolarHBondContact O-N 3.22Å; N847-I910 HydrophobicContact CB-CD1 3.82Å |
| 848 | N | 85.7 | Confident | 83.2 | Confident | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 26.9 | -180 | -60.8 | -21.6 | 0 | 0 | 0 | 114.9 | F802 Q845 Y850 | F802-N848 HydrophobicContact CB-CB 3.88Å; F802-N848 PolarHBondContact O-ND2 2.99Å; Q845-N848 PolarHBondContact O-N 2.62Å; Q845-N848 VanDerWaalsContact O-N 3.15Å; N848-Y850 HydrophobicContact CB-CE2 4.41Å; N848-Y850 WeakPolarHBondContact O-CE2 3.48Å |
| 849 | V | 87.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -105.5 | 113.1 | 170.3 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | F802 L844 Q845 N847 Q865 L867 Y907 | F802-V849 HydrophobicContact CD2-CG2 3.84Å; F802-V849 HydrophobicContact CE2-CG2 3.7Å; L844-V849 CarbonylContact C-O 3.6Å; L844-V849 VanDerWaalsContact C-O 3.3Å; L844-V849 HydrophobicContact CB-CB 3.95Å; L844-V849 HydrophobicContact CB-CG1 4.07Å; L844-V849 HydrophobicContact CD2-CB 4.46Å; L844-V849 HydrophobicContact CD2-CG1 4.48Å; L844-V849 WeakPolarHBondContact O-CB 3.31Å; L844-V849 PolarHBondContact O-N 3.08Å; Q845-V849 WeakPolarHBondContact CA-O 3.44Å; Q845-V849 PolarHBondContact N-O 3.41Å; N847-V849 VanDerWaalsContact C-N 3.26Å; N847-V849 PolarHBondContact O-N 3.22Å; V849-Q865 HydrophobicContact CG1-CB 4.15Å; V849-L867 HydrophobicContact CG1-CD2 4.34Å; V849-L867 HydrophobicContact CG2-CB 4.27Å; V849-L867 HydrophobicContact CG2-CD2 3.89Å; V849-Y907 VanDerWaalsContact CG1-OH 3.23Å; V849-Y907 WeakPolarHBondContact CG1-OH 3.34Å | ||
| 850 | Y | 89.1 | Confident | 82.7 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.1 | -169 | -58.9 | -78.8 | 0 | 0 | 0 | 111.8 | E804 K807 Q845 N848 Q865 S866 | E804-Y850 WeakPolarHBondContact CA-OH 3.46Å; E804-Y850 PolarHBondContact O-OH 3.29Å; E804-Y850 VanDerWaalsContact O-OH 3.11Å; K807-Y850 HydrophobicContact CB-CD1 4.23Å; K807-Y850 HydrophobicContact CB-CD2 3.97Å; K807-Y850 HydrophobicContact CB-CE2 4.41Å; K807-Y850 HydrophobicContact CB-CG 3.86Å; K807-Y850 HydrophobicContact CG-CG 4.27Å; Q845-Y850 HydrophobicContact CG-CD1 4.38Å; N848-Y850 HydrophobicContact CB-CE2 4.41Å; N848-Y850 WeakPolarHBondContact O-CE2 3.48Å; Y850-Q865 CarbonylContact O-C 3.53Å; Y850-Q865 WeakPolarHBondContact O-CA 3.33Å; Y850-S866 PolarHBondContact N-O 3.23Å; Y850-S866 PolarHBondContact O-N 3.34Å |
| 851 | T | 88.4 | Confident | 82.7 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.3 | 173.8 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | L863 Q865 | T851-L863 HydrophobicContact CG2-CD2 4.19Å; T851-Q865 HydrophobicContact CG2-CG 4.5Å; T851-Q865 PolarHBondContact OG1-NE2 3.03Å; T851-Q865 VanDerWaalsContact OG1-NE2 3.11Å |
| 852 | I | 87.6 | Confident | 82.9 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.185 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -40.5 | -176.2 | -63.2 | 167.3 | 0 | 0 | 0 | 111.1 | M808 R810 F813 Y864 S866 | M808-I852 HydrophobicContact CB-CD1 3.99Å; R810-I852 HydrophobicContact CB-CG2 4.06Å; R810-I852 HydrophobicContact CG-CG2 4.36Å; F813-I852 HydrophobicContact CB-CD1 3.88Å; F813-I852 HydrophobicContact CD2-CD1 3.19Å; F813-I852 HydrophobicContact CE2-CD1 3.83Å; F813-I852 HydrophobicContact CG-CD1 3.66Å; I852-Y864 PolarHBondContact N-O 3.06Å; I852-S866 WeakPolarHBondContact CD1-OG 3.42Å |
| 853 | A | 84.9 | Confident | 83.2 | Confident | 11 Ų | 11 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 139.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y864 | A853-Y864 HydrophobicContact CB-CD2 4.13Å; A853-Y864 PolarHBondContact N-O 2.66Å; A853-Y864 PolarHBondContact O-N 3.1Å |
| 854 | K | 85.3 | Confident | 83.5 | Confident | 87 Ų | 87 | 52.9 Ų | 52.9 | 38% | 0.378 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.1 | 166.8 | -177.7 | 175.5 | -175.1 | -174 | 0 | 108.1 | D838 M862 L863 | D838-K854 VanDerWaalsContact CG-NZ 3.27Å; D838-K854 IonicContact OD1-NZ 2.71Å; D838-K854 PolarHBondContact OD1-NZ 3.09Å; D838-K854 IonicContact OD2-NZ 3.21Å; D838-K854 PolarHBondContact OD2-NZ 2.81Å; K854-M862 WeakPolarHBondContact CA-O 3.46Å; K854-L863 HydrophobicContact CB-CD2 3.92Å; K854-L863 HydrophobicContact CD-CD2 4.04Å; K854-L863 HydrophobicContact CG-CD2 3.7Å |
| 855 | R | 85.2 | Confident | 83.9 | Confident | 114 Ų | 114 | 52.9 Ų | 52.9 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.8 | 171.6 | -66.6 | -170.9 | -173.2 | -174.3 | 3 | 108.9 | V857 M862 Y864 | R855-V857 HydrophobicContact CB-CG2 4.29Å; R855-M862 PolarHBondContact N-O 3.11Å; R855-M862 PolarHBondContact O-N 3.09Å; R855-Y864 HydrophobicContact CG-CE2 4.28Å |
| 856 | N | 81.1 | Confident | 84.3 | Confident | 102 Ų | 102 | 47.8 Ų | 47.8 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.4 | 168.4 | -170.2 | -84.8 | 0 | 0 | 0 | 107.5 | Q860 D861 | N856-Q860 WeakPolarHBondContact CA-O 3.29Å; N856-D861 PolarHBondContact ND2-OD1 3.16Å |
| 857 | V | 75.3 | Confident | 84.6 | Confident | 68 Ų | 68 | 43.9 Ų | 43.9 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.4 | -179 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | R855 G859 Q860 M862 | R855-V857 HydrophobicContact CB-CG2 4.29Å; V857-G859 PolarHBondContact O-N 3.13Å; V857-G859 VanDerWaalsContact O-N 3.1Å; V857-Q860 PolarHBondContact N-O 3.35Å; V857-Q860 PolarHBondContact O-N 3.04Å; V857-M862 HydrophobicContact CB-SD 4.28Å; V857-M862 HydrophobicContact CG2-SD 4.11Å |
| 858 | E | 70 | Confident | 84.9 | Confident | 191 Ų | 191 | 45 Ų | 45 | 89% | 0.893 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 32.7 | 177.4 | -60.9 | -178.2 | 171.5 | 0 | 0 | 114.7 | Q860 | E858-Q860 VanDerWaalsContact C-N 3.29Å; E858-Q860 PolarHBondContact O-N 3.26Å |
| 859 | G | 69.9 | Low | 84.9 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 43% | 0.433 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 4.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V857 P883 | V857-G859 PolarHBondContact O-N 3.13Å; V857-G859 VanDerWaalsContact O-N 3.1Å; G859-P883 WeakPolarHBondContact O-CD 3.1Å; G859-P883 VanDerWaalsContact O-CG 3.25Å; G859-P883 WeakPolarHBondContact O-CG 3.16Å |
| 860 | Q | 80.2 | Confident | 84.7 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.5 | 170.3 | -59.7 | -177.1 | 4.1 | 0 | 0 | 110.7 | N856 V857 E858 I881 Q882 | N856-Q860 WeakPolarHBondContact CA-O 3.29Å; V857-Q860 PolarHBondContact N-O 3.35Å; V857-Q860 PolarHBondContact O-N 3.04Å; E858-Q860 VanDerWaalsContact C-N 3.29Å; E858-Q860 PolarHBondContact O-N 3.26Å; Q860-I881 CarbonylContact C-O 3.52Å; Q860-I881 WeakPolarHBondContact CA-O 3.31Å; Q860-Q882 HydrophobicContact CG-CB 4.25Å; Q860-Q882 HydrophobicContact CG-CG 4.23Å |
| 861 | D | 84.4 | Confident | 84.3 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 116.3 | 172 | -81.2 | -23.3 | 0 | 0 | 0 | 109.6 | A837 N856 I881 | A837-D861 HydrophobicContact CB-CB 3.79Å; A837-D861 VanDerWaalsContact CB-OD2 3.29Å; A837-D861 WeakPolarHBondContact CB-OD2 3.49Å; N856-D861 PolarHBondContact ND2-OD1 3.16Å; D861-I881 HydrophobicContact CB-CB 4.29Å; D861-I881 PolarHBondContact N-O 3.39Å; D861-I881 PolarHBondContact O-N 2.87Å |
| 862 | M | 87.5 | Confident | 84 | Confident | 26 Ų | 26 | 48 Ų | 48 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.4 | 174.5 | -57.3 | -173.6 | 79 | 0 | 0 | 110.1 | K854 R855 V857 Y864 E878 L879 R880 | K854-M862 WeakPolarHBondContact CA-O 3.46Å; R855-M862 PolarHBondContact N-O 3.11Å; R855-M862 PolarHBondContact O-N 3.09Å; V857-M862 HydrophobicContact CB-SD 4.28Å; V857-M862 HydrophobicContact CG2-SD 4.11Å; M862-Y864 HydrophobicContact CB-CE2 4.4Å; M862-E878 HydrophobicContact CE-CG 4.08Å; M862-E878 VanDerWaalsContact CE-OE1 3.25Å; M862-E878 WeakPolarHBondContact CE-OE1 3.43Å; M862-E878 WeakPolarHBondContact CE-OE2 3.44Å; M862-L879 WeakPolarHBondContact CA-O 3.38Å; M862-R880 HydrophobicContact CE-CG 3.89Å; M862-R880 HydrophobicContact CG-CG 4.34Å |
| 863 | L | 88.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.6 | 177.3 | -60 | 174.7 | 0 | 0 | 0 | 109.7 | A837 V840 T851 K854 Q865 E878 L879 I881 | A837-L863 HydrophobicContact CB-CD1 4.24Å; A837-L863 HydrophobicContact CB-CD2 4.41Å; V840-L863 HydrophobicContact CB-CD1 4.45Å; V840-L863 HydrophobicContact CG1-CD1 4.03Å; T851-L863 HydrophobicContact CG2-CD2 4.19Å; K854-L863 HydrophobicContact CB-CD2 3.92Å; K854-L863 HydrophobicContact CD-CD2 4.04Å; K854-L863 HydrophobicContact CG-CD2 3.7Å; L863-Q865 HydrophobicContact CB-CG 4.38Å; L863-E878 WeakPolarHBondContact O-CA 3.47Å; L863-L879 HydrophobicContact CB-CB 4.31Å; L863-L879 HydrophobicContact CD1-CD2 4.37Å; L863-L879 PolarHBondContact N-O 3.47Å; L863-L879 PolarHBondContact O-N 3.21Å; L863-I881 HydrophobicContact CD1-CD1 3.82Å |
| 864 | Y | 90.4 | Very high | 84 | Confident | 37 Ų | 37 | 52 Ų | 52 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.8 | 173.5 | -64.4 | -79.1 | 0 | 0 | 0 | 109.6 | F813 I852 A853 R855 M862 E878 | F813-Y864 AromaticContact CE1-CD1 3.97Å; F813-Y864 HydrophobicContact CE1-CD1 3.97Å; F813-Y864 HydrophobicContact CE1-CG 4.27Å; F813-Y864 HydrophobicContact CZ-CD1 4.13Å; F813-Y864 HydrophobicContact CZ-CG 4.49Å; I852-Y864 PolarHBondContact N-O 3.06Å; A853-Y864 HydrophobicContact CB-CD2 4.13Å; A853-Y864 PolarHBondContact N-O 2.66Å; A853-Y864 PolarHBondContact O-N 3.1Å; R855-Y864 HydrophobicContact CG-CE2 4.28Å; M862-Y864 HydrophobicContact CB-CE2 4.4Å; Y864-E878 HydrophobicContact CD1-CB 4.34Å; Y864-E878 HydrophobicContact CD1-CG 4.26Å; Y864-E878 HydrophobicContact CE1-CB 4.29Å; Y864-E878 HydrophobicContact CE1-CG 3.86Å; Y864-E878 VanDerWaalsContact CE1-OE2 3.22Å; Y864-E878 WeakPolarHBondContact CE1-OE2 3.44Å; Y864-E878 PolarHBondContact OH-OE2 3.41Å |
| 865 | Q | 91.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.6 | -169.6 | -52.6 | -178.1 | -55.5 | 0 | 0 | 111.5 | F813 V849 Y850 T851 L863 A877 Y907 | F813-Q865 WeakPolarHBondContact CE2-O 3.19Å; V849-Q865 HydrophobicContact CG1-CB 4.15Å; Y850-Q865 CarbonylContact O-C 3.53Å; Y850-Q865 WeakPolarHBondContact O-CA 3.33Å; T851-Q865 HydrophobicContact CG2-CG 4.5Å; T851-Q865 PolarHBondContact OG1-NE2 3.03Å; T851-Q865 VanDerWaalsContact OG1-NE2 3.11Å; L863-Q865 HydrophobicContact CB-CG 4.38Å; Q865-A877 HydrophobicContact CB-CB 4.27Å; Q865-A877 PolarHBondContact N-O 3.41Å; Q865-A877 PolarHBondContact O-N 2.69Å; Q865-Y907 PolarHBondContact OE1-OH 3.29Å |
| 866 | S | 91.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.4 | 171.8 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | G806 M808 Y850 I852 | G806-S866 PolarHBondContact O-OG 3.17Å; M808-S866 PolarHBondContact N-OG 3.47Å; Y850-S866 PolarHBondContact N-O 3.23Å; Y850-S866 PolarHBondContact O-N 3.34Å; I852-S866 WeakPolarHBondContact CD1-OG 3.42Å |
| 867 | L | 90.3 | Very high | 85 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 159.4 | 168 | 66.7 | 93.1 | 0 | 0 | 0 | 109.9 | F802 V849 L869 I875 I903 Y907 | F802-L867 HydrophobicContact CD1-CD1 4.23Å; F802-L867 HydrophobicContact CE1-CD1 3.95Å; F802-L867 HydrophobicContact CE2-CD2 4.24Å; F802-L867 HydrophobicContact CZ-CD1 4.14Å; F802-L867 HydrophobicContact CZ-CD2 4.25Å; V849-L867 HydrophobicContact CG1-CD2 4.34Å; V849-L867 HydrophobicContact CG2-CB 4.27Å; V849-L867 HydrophobicContact CG2-CD2 3.89Å; L867-L869 HydrophobicContact CD1-CD2 4.47Å; L867-I875 HydrophobicContact CD1-CB 3.67Å; L867-I875 HydrophobicContact CD1-CD1 3.48Å; L867-I875 VanDerWaalsContact CD1-CD1 3.48Å; L867-I875 HydrophobicContact CD1-CG1 4.16Å; L867-I875 HydrophobicContact CD1-CG2 4.2Å; L867-I875 HydrophobicContact CD2-CG2 4.36Å; L867-I875 HydrophobicContact CG-CB 3.89Å; L867-I875 HydrophobicContact CG-CG2 4.17Å; L867-I875 PolarHBondContact N-O 3.36Å; L867-I875 PolarHBondContact O-N 3Å; L867-I903 HydrophobicContact CD1-CD1 4.27Å; L867-I903 HydrophobicContact CD2-CG2 4.3Å; L867-Y907 HydrophobicContact CD2-CE2 3.94Å |
| 868 | K | 88.6 | Confident | 85.7 | Confident | 37 Ų | 37 | 35.4 Ų | 35.4 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 137.6 | -177.5 | -175.1 | -177.1 | -179.8 | 178.4 | 0 | 109.2 | V803 D805 I873 W874 | V803-K868 HydrophobicContact CG2-CB 3.69Å; V803-K868 HydrophobicContact CG2-CD 3.76Å; V803-K868 HydrophobicContact CG2-CG 3.74Å; V803-K868 WeakPolarHBondContact CG2-O 3.23Å; V803-K868 PolarHBondContact N-O 3.38Å; V803-K868 VanDerWaalsContact N-O 3.07Å; D805-K868 WeakPolarHBondContact O-CD 3.42Å; D805-K868 IonicContact OD2-NZ 3.42Å; D805-K868 PolarHBondContact OD2-NZ 3.03Å; K868-I873 WeakPolarHBondContact CA-O 3.35Å; K868-W874 HydrophobicContact CB-CD2 4.33Å; K868-W874 HydrophobicContact CB-CE3 3.92Å; K868-W874 HydrophobicContact CB-CH2 4.49Å; K868-W874 HydrophobicContact CB-CZ3 4.01Å; K868-W874 HydrophobicContact CD-CD2 4.29Å; K868-W874 HydrophobicContact CD-CE3 4.4Å; K868-W874 HydrophobicContact CD-CH2 3.86Å; K868-W874 HydrophobicContact CD-CZ2 3.69Å; K868-W874 HydrophobicContact CD-CZ3 4.21Å; K868-W874 HydrophobicContact CG-CD2 4.22Å; K868-W874 HydrophobicContact CG-CE3 4.3Å; K868-W874 HydrophobicContact CG-CZ3 4.5Å |
| 869 | L | 86.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 162.3 | 175.7 | -62.9 | -176.7 | 0 | 0 | 0 | 111.6 | F738 L798 F802 L867 N871 G872 I873 I875 V899 | F738-L869 HydrophobicContact CE1-CD1 4.27Å; L798-L869 HydrophobicContact CD2-CD1 4.28Å; L798-L869 HydrophobicContact CD2-CD2 3.99Å; F802-L869 HydrophobicContact CD1-CD2 3.59Å; F802-L869 HydrophobicContact CE1-CD2 3.65Å; L867-L869 HydrophobicContact CD1-CD2 4.47Å; L869-N871 VanDerWaalsContact CB-OD1 3.25Å; L869-N871 WeakPolarHBondContact CB-OD1 3.26Å; L869-N871 PolarHBondContact O-N 3.35Å; L869-G872 PolarHBondContact O-N 2.82Å; L869-I873 HydrophobicContact CD1-CB 4.49Å; L869-I873 PolarHBondContact N-O 2.81Å; L869-I875 HydrophobicContact CD1-CD1 3.88Å; L869-I875 HydrophobicContact CD2-CD1 4.23Å; L869-I875 HydrophobicContact CG-CD1 3.8Å; L869-V899 HydrophobicContact CD1-CG1 3.91Å |
| 870 | T | 82.7 | Confident | 87.4 | Confident | 46 Ų | 46 | 27.4 Ų | 27.4 | 28% | 0.282 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.1 | 176.4 | 49 | 0 | 0 | 0 | 0 | 114.4 | T766 L801 V803 G872 | T766-T870 HydrophobicContact CG2-CG2 4.13Å; L801-T870 HydrophobicContact CD2-CG2 4.37Å; L801-T870 PolarHBondContact O-N 3.1Å; L801-T870 VanDerWaalsContact O-N 3.15Å; V803-T870 HydrophobicContact CG1-CG2 3.8Å; T870-G872 VanDerWaalsContact C-N 3.28Å; T870-G872 PolarHBondContact O-N 3.21Å |
| 871 | N | 80 | Confident | 87.6 | Confident | 80 Ų | 80 | 24.6 Ų | 24.6 | 43% | 0.428 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 4.6 | 176 | 65.6 | 1.2 | 0 | 0 | 0 | 113.9 | L869 I873 | L869-N871 VanDerWaalsContact CB-OD1 3.25Å; L869-N871 WeakPolarHBondContact CB-OD1 3.26Å; L869-N871 PolarHBondContact O-N 3.35Å; N871-I873 VanDerWaalsContact ND2-CD1 3.29Å; N871-I873 WeakPolarHBondContact ND2-CD1 3.45Å; N871-I873 WeakPolarHBondContact OD1-CB 3.42Å; N871-I873 VanDerWaalsContact OD1-CG1 3.3Å; N871-I873 WeakPolarHBondContact OD1-CG1 3.49Å; N871-I873 PolarHBondContact OD1-N 3.14Å |
| 872 | G | 81.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 27.4 Ų | 27.4 | 38% | 0.381 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 86.5 | 2.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L869 T870 W874 | L869-G872 PolarHBondContact O-N 2.82Å; T870-G872 VanDerWaalsContact C-N 3.28Å; T870-G872 PolarHBondContact O-N 3.21Å; G872-W874 PolarHBondContact O-N 3.29Å |
| 873 | I | 85.6 | Confident | 86.5 | Confident | 46 Ų | 46 | 30.4 Ų | 30.4 | 24% | 0.236 | 16% | 0.159 | C | C | . | . | trans | -72.1 | 127.4 | 176.8 | -61.7 | 176.5 | 0 | 0 | 0 | 110.1 | K868 L869 N871 I875 C894 A896 | K868-I873 WeakPolarHBondContact CA-O 3.35Å; L869-I873 HydrophobicContact CD1-CB 4.49Å; L869-I873 PolarHBondContact N-O 2.81Å; N871-I873 VanDerWaalsContact ND2-CD1 3.29Å; N871-I873 WeakPolarHBondContact ND2-CD1 3.45Å; N871-I873 WeakPolarHBondContact OD1-CB 3.42Å; N871-I873 VanDerWaalsContact OD1-CG1 3.3Å; N871-I873 WeakPolarHBondContact OD1-CG1 3.49Å; N871-I873 PolarHBondContact OD1-N 3.14Å; I873-I875 HydrophobicContact CG2-CG1 4.41Å; I873-C894 VanDerWaalsContact CG2-SG 3.59Å; I873-A896 HydrophobicContact CD1-CB 4.41Å | ||
| 874 | W | 87.1 | Confident | 85.4 | Confident | 83 Ų | 83 | 34.7 Ų | 34.7 | 31% | 0.314 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134.1 | 173.3 | -69.8 | 96.5 | 0 | 0 | 0 | 111.1 | M808 K868 G872 | M808-W874 HydrophobicContact CB-CZ3 4.28Å; M808-W874 HydrophobicContact CE-CB 4.41Å; M808-W874 HydrophobicContact CE-CD2 3.47Å; M808-W874 VanDerWaalsContact CE-CD2 3.47Å; M808-W874 HydrophobicContact CE-CE3 3.21Å; M808-W874 HydrophobicContact CE-CG 4.03Å; M808-W874 HydrophobicContact CE-CH2 4.14Å; M808-W874 HydrophobicContact CE-CZ2 4.36Å; M808-W874 HydrophobicContact CE-CZ3 3.57Å; K868-W874 HydrophobicContact CB-CD2 4.33Å; K868-W874 HydrophobicContact CB-CE3 3.92Å; K868-W874 HydrophobicContact CB-CH2 4.49Å; K868-W874 HydrophobicContact CB-CZ3 4.01Å; K868-W874 HydrophobicContact CD-CD2 4.29Å; K868-W874 HydrophobicContact CD-CE3 4.4Å; K868-W874 HydrophobicContact CD-CH2 3.86Å; K868-W874 HydrophobicContact CD-CZ2 3.69Å; K868-W874 HydrophobicContact CD-CZ3 4.21Å; K868-W874 HydrophobicContact CG-CD2 4.22Å; K868-W874 HydrophobicContact CG-CE3 4.3Å; K868-W874 HydrophobicContact CG-CZ3 4.5Å; G872-W874 PolarHBondContact O-N 3.29Å |
| 875 | I | 90 | Very high | 84.6 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.2 | 176.4 | -64.8 | 148 | 0 | 0 | 0 | 108 | L867 L869 I873 L892 C894 V899 I903 | L867-I875 HydrophobicContact CD1-CB 3.67Å; L867-I875 HydrophobicContact CD1-CD1 3.48Å; L867-I875 VanDerWaalsContact CD1-CD1 3.48Å; L867-I875 HydrophobicContact CD1-CG1 4.16Å; L867-I875 HydrophobicContact CD1-CG2 4.2Å; L867-I875 HydrophobicContact CD2-CG2 4.36Å; L867-I875 HydrophobicContact CG-CB 3.89Å; L867-I875 HydrophobicContact CG-CG2 4.17Å; L867-I875 PolarHBondContact N-O 3.36Å; L867-I875 PolarHBondContact O-N 3Å; L869-I875 HydrophobicContact CD1-CD1 3.88Å; L869-I875 HydrophobicContact CD2-CD1 4.23Å; L869-I875 HydrophobicContact CG-CD1 3.8Å; I873-I875 HydrophobicContact CG2-CG1 4.41Å; I875-L892 HydrophobicContact CG2-CD2 4.36Å; I875-C894 HydrophobicContact CG1-CB 4.25Å; I875-V899 HydrophobicContact CD1-CG1 4.01Å; I875-I903 HydrophobicContact CD1-CD1 3.83Å; I875-I903 HydrophobicContact CD1-CG1 3.92Å; I875-I903 HydrophobicContact CG2-CG2 4.39Å |
| 876 | L | 91.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.4 | 178.4 | -48.2 | -178.3 | 0 | 0 | 0 | 108.5 | M808 F813 T816 W817 I820 K893 | M808-L876 HydrophobicContact CE-CD2 4.03Å; M808-L876 HydrophobicContact SD-CD2 4.32Å; F813-L876 HydrophobicContact CD2-CD1 4.49Å; F813-L876 HydrophobicContact CD2-CD2 3.76Å; F813-L876 HydrophobicContact CE2-CB 3.92Å; F813-L876 HydrophobicContact CE2-CD1 4.32Å; F813-L876 HydrophobicContact CE2-CD2 3.72Å; F813-L876 HydrophobicContact CE2-CG 4.19Å; F813-L876 HydrophobicContact CZ-CB 4.38Å; T816-L876 HydrophobicContact CG2-CD1 4Å; W817-L876 HydrophobicContact CB-CD1 4.1Å; W817-L876 HydrophobicContact CE3-CB 3.61Å; W817-L876 HydrophobicContact CE3-CD1 3.83Å; W817-L876 HydrophobicContact CE3-CG 4.38Å; W817-L876 HydrophobicContact CZ3-CB 3.64Å; I820-L876 HydrophobicContact CD1-CD1 4.2Å; L876-K893 HydrophobicContact CB-CB 4.41Å; L876-K893 PolarHBondContact N-O 3.11Å; L876-K893 PolarHBondContact O-N 3.45Å |
| 877 | A | 91 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q865 L890 S891 L892 Y907 | Q865-A877 HydrophobicContact CB-CB 4.27Å; Q865-A877 PolarHBondContact N-O 3.41Å; Q865-A877 PolarHBondContact O-N 2.69Å; A877-L890 HydrophobicContact CB-CD1 4.11Å; A877-S891 CarbonylContact C-O 3.51Å; A877-S891 WeakPolarHBondContact CA-O 3.22Å; A877-L892 HydrophobicContact CB-CD2 3.55Å; A877-Y907 WeakPolarHBondContact CB-OH 3.35Å |
| 878 | E | 90.7 | Very high | 83.1 | Confident | 23 Ų | 23 | 40.6 Ų | 40.6 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.9 | 165.2 | 179.9 | -171 | 105.1 | 0 | 0 | 108 | W817 M862 L863 Y864 R880 L890 S891 | W817-E878 HydrophobicContact CH2-CB 3.75Å; W817-E878 HydrophobicContact CZ2-CB 4.39Å; M862-E878 HydrophobicContact CE-CG 4.08Å; M862-E878 VanDerWaalsContact CE-OE1 3.25Å; M862-E878 WeakPolarHBondContact CE-OE1 3.43Å; M862-E878 WeakPolarHBondContact CE-OE2 3.44Å; L863-E878 WeakPolarHBondContact O-CA 3.47Å; Y864-E878 HydrophobicContact CD1-CB 4.34Å; Y864-E878 HydrophobicContact CD1-CG 4.26Å; Y864-E878 HydrophobicContact CE1-CB 4.29Å; Y864-E878 HydrophobicContact CE1-CG 3.86Å; Y864-E878 VanDerWaalsContact CE1-OE2 3.22Å; Y864-E878 WeakPolarHBondContact CE1-OE2 3.44Å; Y864-E878 PolarHBondContact OH-OE2 3.41Å; E878-R880 HydrophobicContact CG-CG 4.42Å; E878-R880 IonicContact OE1-CZ 3.75Å; E878-R880 IonicContact OE1-NE 2.87Å; E878-R880 PolarHBondContact OE1-NE 3.25Å; E878-R880 IonicContact OE1-NH2 2.62Å; E878-L890 CarbonylContact O-C 3.54Å; E878-S891 PolarHBondContact N-O 3.45Å; E878-S891 PolarHBondContact O-N 3.32Å |
| 879 | L | 88.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.8 | 176.3 | -176.8 | 67.3 | 0 | 0 | 0 | 109.5 | V840 L844 M862 L863 I881 L890 L911 | V840-L879 HydrophobicContact CG1-CD2 3.6Å; L844-L879 HydrophobicContact CD1-CD2 4.5Å; M862-L879 WeakPolarHBondContact CA-O 3.38Å; L863-L879 HydrophobicContact CB-CB 4.31Å; L863-L879 HydrophobicContact CD1-CD2 4.37Å; L863-L879 PolarHBondContact N-O 3.47Å; L863-L879 PolarHBondContact O-N 3.21Å; L879-I881 HydrophobicContact CD2-CD1 4.14Å; L879-I881 HydrophobicContact CD2-CG1 4.36Å; L879-I881 HydrophobicContact CG-CD1 4.44Å; L879-I881 HydrophobicContact CG-CG1 4.16Å; L879-L890 HydrophobicContact CB-CD1 4.34Å; L879-L890 HydrophobicContact CD1-CB 4.08Å; L879-L890 HydrophobicContact CD1-CD1 4.13Å; L879-L911 HydrophobicContact CD2-CD1 4.47Å |
| 880 | R | 87.4 | Confident | 83.2 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 24% | 0.242 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.7 | 176.6 | -57.2 | -176.6 | -127.7 | 148.6 | 16.9 | 110 | M862 E878 T889 S891 | M862-R880 HydrophobicContact CE-CG 3.89Å; M862-R880 HydrophobicContact CG-CG 4.34Å; E878-R880 HydrophobicContact CG-CG 4.42Å; E878-R880 IonicContact OE1-CZ 3.75Å; E878-R880 IonicContact OE1-NE 2.87Å; E878-R880 PolarHBondContact OE1-NE 3.25Å; E878-R880 IonicContact OE1-NH2 2.62Å; R880-T889 PolarHBondContact N-O 3.13Å; R880-T889 PolarHBondContact O-N 2.92Å; R880-S891 PolarHBondContact NH2-OG 2.79Å |
| 881 | I | 84.4 | Confident | 83.5 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.6 | -178.8 | -59.9 | 174.4 | 0 | 0 | 0 | 108.1 | A837 V840 Q860 D861 L863 L879 Y888 | A837-I881 HydrophobicContact CB-CD1 4.05Å; V840-I881 HydrophobicContact CB-CD1 4.27Å; V840-I881 HydrophobicContact CG1-CD1 4.26Å; V840-I881 HydrophobicContact CG2-CD1 4.09Å; Q860-I881 CarbonylContact C-O 3.52Å; Q860-I881 WeakPolarHBondContact CA-O 3.31Å; D861-I881 HydrophobicContact CB-CB 4.29Å; D861-I881 PolarHBondContact N-O 3.39Å; D861-I881 PolarHBondContact O-N 2.87Å; L863-I881 HydrophobicContact CD1-CD1 3.82Å; L879-I881 HydrophobicContact CD2-CD1 4.14Å; L879-I881 HydrophobicContact CD2-CG1 4.36Å; L879-I881 HydrophobicContact CG-CD1 4.44Å; L879-I881 HydrophobicContact CG-CG1 4.16Å; I881-Y888 HydrophobicContact CB-CD1 4.39Å; I881-Y888 HydrophobicContact CB-CE1 4.46Å; I881-Y888 HydrophobicContact CD1-CD2 4.47Å; I881-Y888 HydrophobicContact CD1-CE2 4.3Å; I881-Y888 HydrophobicContact CG1-CD1 4.21Å; I881-Y888 HydrophobicContact CG1-CD2 4.09Å; I881-Y888 HydrophobicContact CG1-CE1 4.43Å; I881-Y888 HydrophobicContact CG1-CE2 4.24Å; I881-Y888 HydrophobicContact CG1-CG 4.07Å; I881-Y888 HydrophobicContact CG2-CD1 4.11Å; I881-Y888 HydrophobicContact CG2-CE1 3.71Å |
| 882 | Q | 80 | Confident | 84.1 | Confident | 87 Ų | 87 | 34.5 Ų | 34.5 | 41% | 0.407 | 21% | 0.207 | S | C | . | . | trans | -98.4 | 119.1 | 174.2 | -174.6 | 178.8 | 30 | 0 | 0 | 109.5 | Q860 G884 N885 | Q860-Q882 HydrophobicContact CG-CB 4.25Å; Q860-Q882 HydrophobicContact CG-CG 4.23Å; Q882-G884 PolarHBondContact O-N 3.21Å; Q882-N885 HydrophobicContact CB-CB 4.05Å; Q882-N885 HydrophobicContact CG-CB 4.28Å; Q882-N885 PolarHBondContact O-N 3.31Å; Q882-N885 VanDerWaalsContact O-N 3.08Å; Q882-N885 PolarHBondContact OE1-ND2 2.94Å; Q882-N885 VanDerWaalsContact OE1-ND2 3.08Å | ||
| 883 | P | 68.1 | Low | 84.5 | Confident | 90 Ų | 90 | 32.9 Ų | 32.9 | 58% | 0.584 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 122.8 | 179 | -23.7 | 33.3 | 0 | 0 | 0 | 111.5 | G859 | G859-P883 WeakPolarHBondContact O-CD 3.1Å; G859-P883 VanDerWaalsContact O-CG 3.25Å; G859-P883 WeakPolarHBondContact O-CG 3.16Å |
| 884 | G | 65.4 | Low | 84.5 | Confident | 89 Ų | 89 | 30.7 Ų | 30.7 | 92% | 0.918 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -9.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q882 | Q882-G884 PolarHBondContact O-N 3.21Š|
| 885 | N | 74.8 | Confident | 84.4 | Confident | 54 Ų | 54 | 35.2 Ų | 35.2 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | trans | -100.3 | 124.6 | 172.8 | -171.8 | -9.2 | 0 | 0 | 0 | 109.7 | Q882 N887 | Q882-N885 HydrophobicContact CB-CB 4.05Å; Q882-N885 HydrophobicContact CG-CB 4.28Å; Q882-N885 PolarHBondContact O-N 3.31Å; Q882-N885 VanDerWaalsContact O-N 3.08Å; Q882-N885 PolarHBondContact OE1-ND2 2.94Å; Q882-N885 VanDerWaalsContact OE1-ND2 3.08Å; N885-N887 PolarHBondContact O-N 3.31Å; N885-N887 WeakPolarHBondContact OD1-CB 3.48Å; N885-N887 PolarHBondContact OD1-N 3.28Å; N885-N887 VanDerWaalsContact OD1-N 3.11Å | ||
| 886 | P | 74.6 | Confident | 84.1 | Confident | 40 Ų | 40 | 36.6 Ų | 36.6 | 26% | 0.26 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -72.9 | -1.4 | 178.6 | 29.4 | -35.4 | 0 | 0 | 0 | 114.4 | E832 C833 | E832-P886 PolarHBondContact N-O 2.76Å; C833-P886 PolarHBondContact N-O 3.16Å; C833-P886 WeakPolarHBondContact O-CA 3.25Å |
| 887 | N | 81.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 39 Ų | 39 | 32% | 0.316 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -103.6 | 116.7 | -177.9 | -59.9 | -35.7 | 0 | 0 | 0 | 111 | I830 K831 N885 | I830-N887 CarbonylContact O-C 3.41Å; I830-N887 WeakPolarHBondContact O-CA 3.26Å; K831-N887 WeakPolarHBondContact CA-OD1 3.5Å; N885-N887 PolarHBondContact O-N 3.31Å; N885-N887 WeakPolarHBondContact OD1-CB 3.48Å; N885-N887 PolarHBondContact OD1-N 3.28Å; N885-N887 VanDerWaalsContact OD1-N 3.11Å |
| 888 | Y | 85.8 | Confident | 83.2 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142 | 175.6 | -57.4 | -12.9 | 0 | 0 | 0 | 110.2 | Q829 I830 C833 L835 V840 I881 L911 | Q829-Y888 WeakPolarHBondContact CA-O 3.49Å; I830-Y888 PolarHBondContact N-O 3.24Å; I830-Y888 PolarHBondContact O-N 3.23Å; C833-Y888 HydrophobicContact CB-CD2 3.78Å; C833-Y888 HydrophobicContact CB-CE1 4.23Å; C833-Y888 HydrophobicContact CB-CE2 3.41Å; C833-Y888 VanDerWaalsContact CB-CE2 3.41Å; C833-Y888 HydrophobicContact CB-CG 4.37Å; C833-Y888 PolarHBondContact O-OH 3.23Å; L835-Y888 PolarHBondContact N-OH 3.49Å; L835-Y888 PolarHBondContact O-OH 2.97Å; V840-Y888 HydrophobicContact CG2-CE2 4.19Å; I881-Y888 HydrophobicContact CB-CD1 4.39Å; I881-Y888 HydrophobicContact CB-CE1 4.46Å; I881-Y888 HydrophobicContact CD1-CD2 4.47Å; I881-Y888 HydrophobicContact CD1-CE2 4.3Å; I881-Y888 HydrophobicContact CG1-CD1 4.21Å; I881-Y888 HydrophobicContact CG1-CD2 4.09Å; I881-Y888 HydrophobicContact CG1-CE1 4.43Å; I881-Y888 HydrophobicContact CG1-CE2 4.24Å; I881-Y888 HydrophobicContact CG1-CG 4.07Å; I881-Y888 HydrophobicContact CG2-CD1 4.11Å; I881-Y888 HydrophobicContact CG2-CE1 3.71Å; Y888-L911 HydrophobicContact CD2-CD1 4.42Å |
| 889 | T | 87.3 | Confident | 82.9 | Confident | 36 Ų | 36 | 43.2 Ų | 43.2 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.4 | 175.7 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | R880 | R880-T889 PolarHBondContact N-O 3.13Å; R880-T889 PolarHBondContact O-N 2.92Å |
| 890 | L | 90 | Very high | 82.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.3 | 177.6 | 177.4 | 68.3 | 0 | 0 | 0 | 109.2 | Q827 F828 I830 A877 E878 L879 L892 Y904 Y907 | Q827-L890 CarbonylContact C-O 3.58Å; Q827-L890 WeakPolarHBondContact CA-O 3.49Å; F828-L890 PolarHBondContact N-O 3.34Å; F828-L890 PolarHBondContact O-N 2.91Å; I830-L890 HydrophobicContact CD1-CB 4.23Å; I830-L890 HydrophobicContact CD1-CD2 4.24Å; A877-L890 HydrophobicContact CB-CD1 4.11Å; E878-L890 CarbonylContact O-C 3.54Å; L879-L890 HydrophobicContact CB-CD1 4.34Å; L879-L890 HydrophobicContact CD1-CB 4.08Å; L879-L890 HydrophobicContact CD1-CD1 4.13Å; L890-L892 HydrophobicContact CD1-CD2 4.02Å; L890-L892 HydrophobicContact CD1-CG 4.5Å; L890-L892 HydrophobicContact CD2-CD1 4.11Å; L890-L892 HydrophobicContact CD2-CD2 4.12Å; L890-L892 HydrophobicContact CD2-CG 4.08Å; L890-L892 HydrophobicContact CG-CD2 4.07Å; L890-L892 HydrophobicContact CG-CG 4.02Å; L890-Y904 HydrophobicContact CD2-CD2 4.37Å; L890-Y907 HydrophobicContact CD1-CD1 3.9Å; L890-Y907 HydrophobicContact CD1-CE1 3.83Å; L890-Y907 HydrophobicContact CD2-CD1 3.92Å; L890-Y907 HydrophobicContact CD2-CD2 4.24Å; L890-Y907 HydrophobicContact CD2-CG 3.75Å |
| 891 | S | 89.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.9 | 173.4 | -50.9 | 0 | 0 | 0 | 0 | 109 | L826 A877 E878 R880 | L826-S891 WeakPolarHBondContact O-CA 3.48Å; A877-S891 CarbonylContact C-O 3.51Å; A877-S891 WeakPolarHBondContact CA-O 3.22Å; E878-S891 PolarHBondContact N-O 3.45Å; E878-S891 PolarHBondContact O-N 3.32Å; R880-S891 PolarHBondContact NH2-OG 2.79Å |
| 892 | L | 91.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.8 | -178.7 | -65.6 | 176.5 | 0 | 0 | 0 | 110 | E825 L826 F828 I875 A877 L890 S900 I903 | E825-L892 WeakPolarHBondContact CA-O 3.44Å; L826-L892 PolarHBondContact N-O 2.92Å; L826-L892 PolarHBondContact O-N 3.33Å; F828-L892 HydrophobicContact CD2-CD1 4.16Å; F828-L892 HydrophobicContact CE2-CD1 4Å; I875-L892 HydrophobicContact CG2-CD2 4.36Å; A877-L892 HydrophobicContact CB-CD2 3.55Å; L890-L892 HydrophobicContact CD1-CD2 4.02Å; L890-L892 HydrophobicContact CD1-CG 4.5Å; L890-L892 HydrophobicContact CD2-CD1 4.11Å; L890-L892 HydrophobicContact CD2-CD2 4.12Å; L890-L892 HydrophobicContact CD2-CG 4.08Å; L890-L892 HydrophobicContact CG-CD2 4.07Å; L890-L892 HydrophobicContact CG-CG 4.02Å; L892-S900 VanDerWaalsContact CD1-O 3.29Å; L892-S900 WeakPolarHBondContact CD1-O 3.48Å; L892-I903 HydrophobicContact CD1-CB 3.93Å; L892-I903 HydrophobicContact CD1-CG2 3.82Å; L892-I903 HydrophobicContact CD2-CG2 4.07Å |
| 893 | K | 89.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.8 | 170.7 | -73.5 | -164.6 | 176.4 | -162.2 | 0 | 110.1 | W817 I820 N822 E825 L876 | W817-K893 HydrophobicContact CD2-CD 4.01Å; W817-K893 HydrophobicContact CE3-CD 4.32Å; W817-K893 HydrophobicContact CH2-CD 4.17Å; W817-K893 HydrophobicContact CH2-CG 4.19Å; W817-K893 HydrophobicContact CZ2-CD 3.86Å; W817-K893 HydrophobicContact CZ2-CG 4.3Å; W817-K893 HydrophobicContact CZ3-CB 4.43Å; W817-K893 HydrophobicContact CZ3-CD 4.4Å; W817-K893 HydrophobicContact CZ3-CG 4.44Å; I820-K893 HydrophobicContact CG2-CB 4.45Å; N822-K893 PolarHBondContact OD1-NZ 3.04Å; E825-K893 HydrophobicContact CB-CD 4.48Å; E825-K893 HydrophobicContact CB-CG 3.93Å; E825-K893 HydrophobicContact CG-CD 4.46Å; E825-K893 HydrophobicContact CG-CG 3.8Å; E825-K893 WeakPolarHBondContact OE2-CE 3.28Å; E825-K893 IonicContact OE2-NZ 2.82Å; L876-K893 HydrophobicContact CB-CB 4.41Å; L876-K893 PolarHBondContact N-O 3.11Å; L876-K893 PolarHBondContact O-N 3.45Å |
| 894 | C | 87.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149 | 178.9 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | I873 I875 A896 | I873-C894 VanDerWaalsContact CG2-SG 3.59Å; I875-C894 HydrophobicContact CG1-CB 4.25Å; C894-A896 PolarHBondContact O-N 3.23Å; C894-A896 PolarHBondContact SG-N 3.13Å; C894-A896 PolarHBondContact SG-O 3.35Å |
| 895 | R | 84.3 | Confident | 85 | Confident | 179 Ų | 179 | 41.3 Ų | 41.3 | 68% | 0.675 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -67.6 | -21.1 | 170.5 | -70.7 | -175.6 | 176.5 | 180 | -3.4 | 112.7 | D819 I820 | D819-R895 IonicContact OD2-CZ 3.5Å; D819-R895 IonicContact OD2-NE 3.69Å; D819-R895 IonicContact OD2-NH2 2.84Å; D819-R895 PolarHBondContact OD2-NH2 2.94Å; I820-R895 HydrophobicContact CD1-CG 4.37Å; I820-R895 HydrophobicContact CG1-CG 4.13Å |
| 896 | A | 83.6 | Confident | 85.6 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -115.3 | 95 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I873 C894 E898 V899 | I873-A896 HydrophobicContact CD1-CB 4.41Å; C894-A896 PolarHBondContact O-N 3.23Å; C894-A896 PolarHBondContact SG-N 3.13Å; C894-A896 PolarHBondContact SG-O 3.35Å; A896-E898 VanDerWaalsContact C-N 3.25Å; A896-E898 PolarHBondContact O-N 2.91Å; A896-V899 HydrophobicContact CB-CG2 4.21Å; A896-V899 PolarHBondContact O-N 2.71Å |
| 897 | P | 80.8 | Confident | 86.1 | Confident | 51 Ų | 51 | 37.3 Ų | 37.3 | 33% | 0.331 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -64.7 | -28.3 | -172.6 | 23.6 | -32.9 | 0 | 0 | 0 | 113.2 | L826 V899 S900 | L826-P897 HydrophobicContact CD1-CB 4.44Å; P897-V899 PolarHBondContact O-N 3.07Å; P897-V899 VanDerWaalsContact O-N 3.12Å; P897-S900 VanDerWaalsContact O-CB 3.25Å; P897-S900 WeakPolarHBondContact O-CB 3.41Å; P897-S900 PolarHBondContact O-N 3.11Å; P897-S900 PolarHBondContact O-OG 3.15Å |
| 898 | E | 82 | Confident | 86.3 | Confident | 102 Ų | 102 | 36 Ų | 36 | 48% | 0.477 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -56.2 | -27.9 | 179 | -57.5 | 176.6 | 178.8 | 0 | 0 | 113.8 | K772 L776 A896 S900 Y902 | K772-E898 WeakPolarHBondContact CE-OE2 3.46Å; K772-E898 IonicContact NZ-OE1 2.68Å; K772-E898 PolarHBondContact NZ-OE1 2.7Å; K772-E898 IonicContact NZ-OE2 3.03Å; K772-E898 PolarHBondContact NZ-OE2 2.94Å; L776-E898 HydrophobicContact CD1-CB 3.89Å; A896-E898 VanDerWaalsContact C-N 3.25Å; A896-E898 PolarHBondContact O-N 2.91Å; E898-S900 VanDerWaalsContact C-N 3.34Å; E898-Y902 WeakPolarHBondContact O-CD2 3.42Å |
| 899 | V | 84.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -75.9 | -25.2 | -179.4 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | L776 L869 I875 A896 P897 Q901 Y902 I903 | L776-V899 HydrophobicContact CD1-CG2 4.26Å; L869-V899 HydrophobicContact CD1-CG1 3.91Å; I875-V899 HydrophobicContact CD1-CG1 4.01Å; A896-V899 HydrophobicContact CB-CG2 4.21Å; A896-V899 PolarHBondContact O-N 2.71Å; P897-V899 PolarHBondContact O-N 3.07Å; P897-V899 VanDerWaalsContact O-N 3.12Å; V899-Q901 PolarHBondContact O-N 2.89Å; V899-Y902 PolarHBondContact O-N 3.14Å; V899-Y902 VanDerWaalsContact O-N 3.16Å; V899-I903 HydrophobicContact CG1-CD1 4.31Å; V899-I903 HydrophobicContact CG1-CG1 3.87Å; V899-I903 WeakPolarHBondContact O-CG1 3.3Å; V899-I903 PolarHBondContact O-N 3.13Å; V899-I903 VanDerWaalsContact O-N 3.15Å |
| 900 | S | 84.9 | Confident | 86 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | -169 | -47.9 | 0 | 0 | 0 | 0 | 113.2 | L892 P897 E898 Y902 I903 Y904 | L892-S900 VanDerWaalsContact CD1-O 3.29Å; L892-S900 WeakPolarHBondContact CD1-O 3.48Å; P897-S900 VanDerWaalsContact O-CB 3.25Å; P897-S900 WeakPolarHBondContact O-CB 3.41Å; P897-S900 PolarHBondContact O-N 3.11Å; P897-S900 PolarHBondContact O-OG 3.15Å; E898-S900 VanDerWaalsContact C-N 3.34Å; S900-Y902 VanDerWaalsContact C-N 3.28Å; S900-Y902 PolarHBondContact O-N 3.48Å; S900-I903 PolarHBondContact O-N 3.11Å; S900-Y904 PolarHBondContact O-N 3.21Å |
| 901 | Q | 85.9 | Confident | 85.7 | Confident | 116 Ų | 116 | 36.3 Ų | 36.3 | 54% | 0.542 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.4 | -178.6 | 175.6 | -12.2 | 0 | 0 | 112 | V899 Y904 Q905 | V899-Q901 PolarHBondContact O-N 2.89Å; Q901-Y904 WeakPolarHBondContact O-CB 3.24Å; Q901-Q905 PolarHBondContact O-N 3.13Å |
| 902 | Y | 86.6 | Confident | 85.1 | Confident | 35 Ų | 35 | 41 Ų | 41 | 14% | 0.137 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.6 | -31.1 | 179.7 | -54.7 | -84 | 0 | 0 | 0 | 112.6 | P775 L776 N777 L798 E898 V899 S900 Y904 Q905 V906 | P775-Y902 WeakPolarHBondContact CA-OH 3.17Å; P775-Y902 HydrophobicContact CB-CE1 4.34Å; P775-Y902 WeakPolarHBondContact CB-OH 3.39Å; L776-Y902 HydrophobicContact CB-CE2 3.86Å; L776-Y902 HydrophobicContact CD1-CD2 4.48Å; L776-Y902 HydrophobicContact CD1-CE2 3.99Å; L776-Y902 HydrophobicContact CG-CE2 4.18Å; L776-Y902 PolarHBondContact N-OH 3.17Å; N777-Y902 HydrophobicContact CB-CD1 4.46Å; N777-Y902 WeakPolarHBondContact OD1-CE1 3.24Å; L798-Y902 HydrophobicContact CD1-CG 3.95Å; E898-Y902 WeakPolarHBondContact O-CD2 3.42Å; V899-Y902 PolarHBondContact O-N 3.14Å; V899-Y902 VanDerWaalsContact O-N 3.16Å; S900-Y902 VanDerWaalsContact C-N 3.28Å; S900-Y902 PolarHBondContact O-N 3.48Å; Y902-Y904 VanDerWaalsContact C-N 3.31Å; Y902-Q905 WeakPolarHBondContact O-CB 3.28Å; Y902-Q905 PolarHBondContact O-N 2.95Å; Y902-V906 WeakPolarHBondContact O-CG2 3.48Å; Y902-V906 PolarHBondContact O-N 3.17Å; Y902-V906 VanDerWaalsContact O-N 3.11Å |
| 903 | I | 87.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 171.3 | -61.9 | -65.8 | 0 | 0 | 0 | 110.3 | F802 L867 I875 L892 V899 S900 Q905 V906 Y907 | F802-I903 HydrophobicContact CE1-CD1 3.65Å; F802-I903 HydrophobicContact CZ-CD1 3.71Å; L867-I903 HydrophobicContact CD1-CD1 4.27Å; L867-I903 HydrophobicContact CD2-CG2 4.3Å; I875-I903 HydrophobicContact CD1-CD1 3.83Å; I875-I903 HydrophobicContact CD1-CG1 3.92Å; I875-I903 HydrophobicContact CG2-CG2 4.39Å; L892-I903 HydrophobicContact CD1-CB 3.93Å; L892-I903 HydrophobicContact CD1-CG2 3.82Å; L892-I903 HydrophobicContact CD2-CG2 4.07Å; V899-I903 HydrophobicContact CG1-CD1 4.31Å; V899-I903 HydrophobicContact CG1-CG1 3.87Å; V899-I903 WeakPolarHBondContact O-CG1 3.3Å; V899-I903 PolarHBondContact O-N 3.13Å; V899-I903 VanDerWaalsContact O-N 3.15Å; S900-I903 PolarHBondContact O-N 3.11Å; I903-Q905 VanDerWaalsContact C-N 3.34Å; I903-Q905 PolarHBondContact O-N 3.28Å; I903-V906 WeakPolarHBondContact O-CB 3.48Å; I903-V906 PolarHBondContact O-N 3.07Å; I903-V906 VanDerWaalsContact O-N 3.15Å; I903-Y907 HydrophobicContact CG2-CD2 3.84Å; I903-Y907 HydrophobicContact CG2-CE2 3.71Å; I903-Y907 WeakPolarHBondContact O-CD2 3.43Å; I903-Y907 PolarHBondContact O-N 3.33Å |
| 904 | Y | 88.8 | Confident | 83.6 | Confident | 57 Ų | 57 | 49 Ų | 49 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.2 | -46.3 | 171.3 | 162 | -104.3 | 0 | 0 | 0 | 112.2 | F828 Q829 I830 L890 S900 Q901 Y902 V906 Y907 D908 | F828-Y904 HydrophobicContact CB-CD2 3.29Å; F828-Y904 HydrophobicContact CB-CE2 3.63Å; F828-Y904 HydrophobicContact CB-CG 3.86Å; F828-Y904 HydrophobicContact CD1-CD1 4.09Å; F828-Y904 HydrophobicContact CD1-CD2 4.16Å; F828-Y904 AromaticContact CD1-CG 3.84Å; F828-Y904 HydrophobicContact CD1-CG 3.84Å; F828-Y904 HydrophobicContact CD2-CD2 4.38Å; F828-Y904 HydrophobicContact CD2-CG 4.27Å; F828-Y904 HydrophobicContact CE1-CG 4.47Å; F828-Y904 HydrophobicContact CG-CD1 4.43Å; F828-Y904 AromaticContact CG-CD2 3.71Å; F828-Y904 HydrophobicContact CG-CD2 3.71Å; F828-Y904 HydrophobicContact CG-CE2 4.37Å; F828-Y904 AromaticContact CG-CG 3.73Å; F828-Y904 HydrophobicContact CG-CG 3.73Å; Q829-Y904 PolarHBondContact O-OH 3.27Å; I830-Y904 HydrophobicContact CG1-CD2 4.22Å; I830-Y904 HydrophobicContact CG1-CE2 3.77Å; L890-Y904 HydrophobicContact CD2-CD2 4.37Å; S900-Y904 PolarHBondContact O-N 3.21Å; Q901-Y904 WeakPolarHBondContact O-CB 3.24Å; Y902-Y904 VanDerWaalsContact C-N 3.31Å; Y904-V906 PolarHBondContact O-N 2.91Å; Y904-Y907 PolarHBondContact O-N 3.13Å; Y904-Y907 VanDerWaalsContact O-N 3.14Å; Y904-D908 PolarHBondContact O-N 3.03Å |
| 905 | Q | 85.6 | Confident | 83.4 | Confident | 89 Ų | 89 | 51.6 Ų | 51.6 | 42% | 0.416 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 176.4 | -69 | 175 | -5.8 | 0 | 0 | 112.7 | Q901 Y902 I903 S909 | Q901-Q905 PolarHBondContact O-N 3.13Å; Y902-Q905 WeakPolarHBondContact O-CB 3.28Å; Y902-Q905 PolarHBondContact O-N 2.95Å; I903-Q905 VanDerWaalsContact C-N 3.34Å; I903-Q905 PolarHBondContact O-N 3.28Å; Q905-S909 WeakPolarHBondContact O-CB 3.02Å; Q905-S909 PolarHBondContact O-N 2.78Å; Q905-S909 PolarHBondContact O-OG 3.09Å |
| 906 | V | 85.4 | Confident | 83.4 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.2 | -46.7 | 174.9 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | L798 N799 F802 Y902 I903 Y904 D908 S909 I910 | L798-V906 HydrophobicContact CB-CG2 3.85Å; N799-V906 HydrophobicContact CB-CG1 3.74Å; N799-V906 HydrophobicContact CB-CG2 4.46Å; F802-V906 HydrophobicContact CE2-CG1 3.98Å; F802-V906 HydrophobicContact CZ-CG1 3.93Å; Y902-V906 WeakPolarHBondContact O-CG2 3.48Å; Y902-V906 PolarHBondContact O-N 3.17Å; Y902-V906 VanDerWaalsContact O-N 3.11Å; I903-V906 WeakPolarHBondContact O-CB 3.48Å; I903-V906 PolarHBondContact O-N 3.07Å; I903-V906 VanDerWaalsContact O-N 3.15Å; Y904-V906 PolarHBondContact O-N 2.91Å; V906-D908 PolarHBondContact O-N 3.43Å; V906-S909 PolarHBondContact O-N 3.22Å; V906-I910 HydrophobicContact CG1-CD1 3.46Å; V906-I910 VanDerWaalsContact CG1-CD1 3.46Å; V906-I910 HydrophobicContact CG1-CG1 4.27Å; V906-I910 WeakPolarHBondContact O-CB 3.19Å; V906-I910 VanDerWaalsContact O-CG1 3.28Å; V906-I910 WeakPolarHBondContact O-CG1 3.25Å; V906-I910 PolarHBondContact O-N 2.92Å |
| 907 | Y | 86.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.6 | -88.6 | -111.5 | 0 | 0 | 0 | 111.7 | L844 V849 Q865 L867 A877 L890 I903 Y904 S909 I910 L911 | L844-Y907 HydrophobicContact CD1-CD1 4.29Å; L844-Y907 HydrophobicContact CD1-CE1 3.87Å; L844-Y907 HydrophobicContact CD2-CD1 4.11Å; L844-Y907 HydrophobicContact CD2-CE1 4.04Å; V849-Y907 VanDerWaalsContact CG1-OH 3.23Å; V849-Y907 WeakPolarHBondContact CG1-OH 3.34Å; Q865-Y907 PolarHBondContact OE1-OH 3.29Å; L867-Y907 HydrophobicContact CD2-CE2 3.94Å; A877-Y907 WeakPolarHBondContact CB-OH 3.35Å; L890-Y907 HydrophobicContact CD1-CD1 3.9Å; L890-Y907 HydrophobicContact CD1-CE1 3.83Å; L890-Y907 HydrophobicContact CD2-CD1 3.92Å; L890-Y907 HydrophobicContact CD2-CD2 4.24Å; L890-Y907 HydrophobicContact CD2-CG 3.75Å; I903-Y907 HydrophobicContact CG2-CD2 3.84Å; I903-Y907 HydrophobicContact CG2-CE2 3.71Å; I903-Y907 WeakPolarHBondContact O-CD2 3.43Å; I903-Y907 PolarHBondContact O-N 3.33Å; Y904-Y907 PolarHBondContact O-N 3.13Å; Y904-Y907 VanDerWaalsContact O-N 3.14Å; Y907-S909 VanDerWaalsContact C-N 3.33Å; Y907-S909 PolarHBondContact O-N 2.88Å; Y907-I910 PolarHBondContact O-N 2.83Å; Y907-L911 WeakPolarHBondContact O-CB 3.5Å; Y907-L911 WeakPolarHBondContact O-CG 3.41Å; Y907-L911 PolarHBondContact O-N 2.74Å |
| 908 | D | 86.4 | Confident | 83.5 | Confident | 31 Ų | 31 | 45 Ų | 45 | 17% | 0.166 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 176.2 | -167.5 | 63.2 | 0 | 0 | 0 | 111.3 | Y904 V906 K912 | Y904-D908 PolarHBondContact O-N 3.03Å; V906-D908 PolarHBondContact O-N 3.43Å; D908-K912 WeakPolarHBondContact O-CB 3.45Å; D908-K912 WeakPolarHBondContact O-CG 3.49Å; D908-K912 PolarHBondContact O-N 3.13Å; D908-K912 VanDerWaalsContact O-N 3.16Å; D908-K912 WeakPolarHBondContact OD1-CE 3.33Å; D908-K912 IonicContact OD1-NZ 2.68Å; D908-K912 PolarHBondContact OD1-NZ 3.02Å; D908-K912 IonicContact OD2-NZ 2.8Å; D908-K912 PolarHBondContact OD2-NZ 2.95Å |
| 909 | S | 82.9 | Confident | 83.6 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 31% | 0.308 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68 | -39.6 | 180 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | Q905 V906 Y907 N913 | Q905-S909 WeakPolarHBondContact O-CB 3.02Å; Q905-S909 PolarHBondContact O-N 2.78Å; Q905-S909 PolarHBondContact O-OG 3.09Å; V906-S909 PolarHBondContact O-N 3.22Å; Y907-S909 VanDerWaalsContact C-N 3.33Å; Y907-S909 PolarHBondContact O-N 2.88Å; S909-N913 PolarHBondContact O-ND2 3.43Å |
| 910 | I | 83.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.9 | -31.3 | -179.6 | -68 | 169.3 | 0 | 0 | 0 | 111.8 | Y683 N799 L844 N847 V906 Y907 | Y683-I910 HydrophobicContact CD1-CG1 4.08Å; Y683-I910 HydrophobicContact CG-CG1 4.19Å; N799-I910 HydrophobicContact CB-CD1 4.34Å; L844-I910 HydrophobicContact CD2-CG2 3.99Å; N847-I910 HydrophobicContact CB-CD1 3.82Å; V906-I910 HydrophobicContact CG1-CD1 3.46Å; V906-I910 VanDerWaalsContact CG1-CD1 3.46Å; V906-I910 HydrophobicContact CG1-CG1 4.27Å; V906-I910 WeakPolarHBondContact O-CB 3.19Å; V906-I910 VanDerWaalsContact O-CG1 3.28Å; V906-I910 WeakPolarHBondContact O-CG1 3.25Å; V906-I910 PolarHBondContact O-N 2.92Å; Y907-I910 PolarHBondContact O-N 2.83Å |
| 911 | L | 82.4 | Confident | 83.4 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -85 | -27.5 | -177.5 | -64.6 | 179.7 | 0 | 0 | 0 | 112.9 | I830 L835 V840 L844 L879 Y888 Y907 | I830-L911 HydrophobicContact CD1-CD1 3.82Å; L835-L911 VanDerWaalsContact CD1-O 3.28Å; L835-L911 WeakPolarHBondContact CD1-O 3.46Å; V840-L911 HydrophobicContact CB-CD2 4.4Å; V840-L911 HydrophobicContact CG1-CD2 3.84Å; V840-L911 HydrophobicContact CG2-CD2 4.17Å; L844-L911 HydrophobicContact CD1-CD2 4.36Å; L844-L911 HydrophobicContact CG-CD2 4.29Å; L879-L911 HydrophobicContact CD2-CD1 4.47Å; Y888-L911 HydrophobicContact CD2-CD1 4.42Å; Y907-L911 WeakPolarHBondContact O-CB 3.5Å; Y907-L911 WeakPolarHBondContact O-CG 3.41Å; Y907-L911 PolarHBondContact O-N 2.74Å |
| 912 | K | 78.4 | Confident | 83.2 | Confident | 99 Ų | 99 | 41.1 Ų | 41.1 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -81.9 | -20.2 | 177.4 | -73.1 | 176.5 | 175.4 | 165 | 0 | 114.6 | K831 D908 | K831-K912 VanDerWaalsContact O-CE 3.22Å; K831-K912 WeakPolarHBondContact O-CE 3.16Å; D908-K912 WeakPolarHBondContact O-CB 3.45Å; D908-K912 WeakPolarHBondContact O-CG 3.49Å; D908-K912 PolarHBondContact O-N 3.13Å; D908-K912 VanDerWaalsContact O-N 3.16Å; D908-K912 WeakPolarHBondContact OD1-CE 3.33Å; D908-K912 IonicContact OD1-NZ 2.68Å; D908-K912 PolarHBondContact OD1-NZ 3.02Å; D908-K912 IonicContact OD2-NZ 2.8Å; D908-K912 PolarHBondContact OD2-NZ 2.95Å |
| 913 | N | 64.2 | Low | 82.9 | Confident | 122 Ų | 122 | 41.6 Ų | 41.6 | 65% | 0.652 | 21% | 0.208 | S | C | * | . | trans | -109.6 | 0 | 174.3 | -61.4 | -74.2 | 0 | 0 | 0 | 109.7 | Y683 K843 S909 | Y683-N913 HydrophobicContact CD2-CB 3.96Å; Y683-N913 HydrophobicContact CE2-CB 3.65Å; Y683-N913 WeakPolarHBondContact CE2-ND2 3.43Å; K843-N913 PolarHBondContact NZ-O 2.82Å; K843-N913 PolarHBondContact NZ-OXT 3.47Å; S909-N913 PolarHBondContact O-ND2 3.43Å |
Retrieved 913 of 913 residues in 1237.6 ms
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