| 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 | 36.9 | Very low | 35.6 | Very low | 245 Ų | 245 | 176 Ų | 176 | 100% | 1.207 | 84% | 0.844 | S | S | * | * | 0 | 105.1 | 0 | -58.2 | -177.3 | -159.9 | 0 | 0 | 107.5 | |||||
| 2 | R | 30.3 | Very low | 35.4 | Very low | 240 Ų | 240 | 171.9 Ų | 171.9 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | trans | -107.1 | 129.1 | 177 | -78.3 | -178.6 | 171 | -175.8 | -2.9 | 107.3 | L4 | R2-L4 PolarHBondContact O-N 2.93Š| ||
| 3 | P | 40.2 | Very low | 35.2 | Very low | 114 Ų | 114 | 169.5 Ų | 169.5 | 74% | 0.74 | 83% | 0.83 | S | S | * | * | trans | -82.4 | 121.8 | 175.4 | 31.4 | -27.7 | 0 | 0 | 0 | 109.2 | W5 | P3-W5 PolarHBondContact O-N 3.47Š| ||
| 4 | L | 34 | Very low | 34.7 | Very low | 162 Ų | 162 | 165.6 Ų | 165.6 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -70.6 | 115.1 | 169.2 | -80.9 | 147.8 | 0 | 0 | 0 | 108.5 | R2 L6 | R2-L4 PolarHBondContact O-N 2.93Å; L4-L6 PolarHBondContact O-N 3.38Å | ||
| 5 | W | 37.8 | Very low | 34.6 | Very low | 230 Ų | 230 | 166 Ų | 166 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | trans | -74.5 | 102.7 | 165.6 | -86.8 | 44.9 | 0 | 0 | 0 | 108.5 | P3 C7 | P3-W5 PolarHBondContact O-N 3.47Å; W5-C7 PolarHBondContact O-N 3.44Å | ||
| 6 | L | 37.2 | Very low | 34.4 | Very low | 150 Ų | 150 | 160.5 Ų | 160.5 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -78.6 | 96.1 | 167.3 | -83.7 | 152.8 | 0 | 0 | 0 | 108.3 | L4 W8 | L4-L6 PolarHBondContact O-N 3.38Å; L6-W8 PolarHBondContact O-N 3.2Å | ||
| 7 | C | 33.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -70.3 | 107.3 | 165.3 | -74.2 | 0 | 0 | 0 | 0 | 108.8 | W5 A9 | W5-C7 PolarHBondContact O-N 3.44Å; C7-A9 PolarHBondContact O-N 3.09Å; C7-A9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | W | 37.5 | Very low | 34.4 | Very low | 224 Ų | 224 | 150.1 Ų | 150.1 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -70.3 | 96.5 | 166.1 | -78.1 | 58.6 | 0 | 0 | 0 | 108.3 | L6 L10 | L6-W8 PolarHBondContact O-N 3.2Å; W8-L10 VanDerWaalsContact C-N 3.3Å; W8-L10 PolarHBondContact O-N 3.13Å | ||
| 9 | A | 33.4 | Very low | 34.9 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -73.4 | 90.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | C7 W11 | C7-A9 PolarHBondContact O-N 3.09Å; C7-A9 VanDerWaalsContact O-N 3.08Å; A9-W11 PolarHBondContact O-N 3.1Å | ||
| 10 | L | 38.2 | Very low | 35.8 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | -61.2 | 103.5 | 161.5 | -90.6 | 150.2 | 0 | 0 | 0 | 107.4 | W8 V12 | W8-L10 VanDerWaalsContact C-N 3.3Å; W8-L10 PolarHBondContact O-N 3.13Å; L10-V12 VanDerWaalsContact C-N 3.3Å; L10-V12 PolarHBondContact O-N 3.03Å | ||
| 11 | W | 33.4 | Very low | 37 | Very low | 229 Ų | 229 | 137.3 Ų | 137.3 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | trans | -64 | 95 | 166.1 | -84.1 | 65.2 | 0 | 0 | 0 | 108 | A9 L13 | A9-W11 PolarHBondContact O-N 3.1Å; W11-L13 VanDerWaalsContact C-N 3.34Å; W11-L13 PolarHBondContact O-N 3.49Å; W11-L13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | V | 32.5 | Very low | 38.7 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -69.9 | 99.6 | 160.2 | -179.5 | 0 | 0 | 0 | 0 | 105.3 | L10 | L10-V12 VanDerWaalsContact C-N 3.3Å; L10-V12 PolarHBondContact O-N 3.03Å | ||
| 13 | L | 32.4 | Very low | 41.1 | Very low | 141 Ų | 141 | 119.1 Ų | 119.1 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -53.4 | 122.9 | 163.6 | -81.7 | 158.5 | 0 | 0 | 0 | 106.8 | W11 L15 | W11-L13 VanDerWaalsContact C-N 3.34Å; W11-L13 PolarHBondContact O-N 3.49Å; W11-L13 VanDerWaalsContact O-N 3.11Å; L13-L15 PolarHBondContact O-N 2.92Å | ||
| 14 | P | 29.2 | Very low | 43 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 75% | 0.747 | 64% | 0.641 | S | S | * | * | trans | -64.6 | 114.9 | 175.4 | 27.1 | -29.2 | 0 | 0 | 0 | 106.1 | A16 | P14-A16 PolarHBondContact O-N 3.24Å; P14-A16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | L | 32.7 | Very low | 45.4 | Very low | 171 Ų | 171 | 114.4 Ų | 114.4 | 90% | 0.895 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 118.3 | 160.2 | -77.8 | 161.3 | 0 | 0 | 0 | 105.7 | L13 G17 | L13-L15 PolarHBondContact O-N 2.92Å; L15-G17 PolarHBondContact O-N 3.49Å; L15-G17 VanDerWaalsContact O-N 3.08Å |
| 16 | A | 31.9 | Very low | 47.6 | Very low | 78 Ų | 78 | 107.2 Ų | 107.2 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 119.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P14 | P14-A16 PolarHBondContact O-N 3.24Å; P14-A16 VanDerWaalsContact O-N 3.11Å |
| 17 | G | 32 | Very low | 50 | Low | 43 Ų | 43 | 100 Ų | 100 | 44% | 0.443 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 154 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L15 G19 | L15-G17 PolarHBondContact O-N 3.49Å; L15-G17 VanDerWaalsContact O-N 3.08Å; G17-G19 PolarHBondContact O-N 3.17Å; G17-G19 VanDerWaalsContact O-N 3.1Å |
| 18 | P | 36.3 | Very low | 52.7 | Low | 90 Ų | 90 | 96.4 Ų | 96.4 | 58% | 0.584 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 114.1 | 175 | 27.6 | -31.2 | 0 | 0 | 0 | 108.5 | I317 | P18-I317 HydrophobicContact CB-CG2 4.26Š|
| 19 | G | 43.1 | Very low | 55.1 | Low | 60 Ų | 60 | 87.5 Ų | 87.5 | 62% | 0.619 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.7 | 15 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | G17 | G17-G19 PolarHBondContact O-N 3.17Å; G17-G19 VanDerWaalsContact O-N 3.1Å |
| 20 | T | 53.3 | Low | 57.7 | Low | 83 Ų | 83 | 85.7 Ų | 85.7 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | trans | -79.5 | 118.1 | 165.9 | 57 | 0 | 0 | 0 | 0 | 110 | L22 | T20-L22 PolarHBondContact O-N 3.24Š| ||
| 21 | A | 60.8 | Low | 60.1 | Low | 39 Ų | 39 | 78.6 Ų | 78.6 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | trans | -41.5 | 132.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T23 Q26 M268 E292 | A21-T23 WeakPolarHBondContact O-CG2 3.33Å; A21-T23 PolarHBondContact O-N 2.94Å; A21-T23 VanDerWaalsContact O-N 3.17Å; A21-Q26 PolarHBondContact O-OE1 3.21Å; A21-M268 HydrophobicContact CB-CE 3.74Å; A21-E292 WeakPolarHBondContact CA-OE1 3.15Å; A21-E292 WeakPolarHBondContact CB-OE1 3.05Å; A21-E292 PolarHBondContact N-OE1 3.02Å; A21-E292 VanDerWaalsContact N-OE1 3.11Å | ||
| 22 | L | 73.4 | Confident | 62.9 | Low | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.22 | 44% | 0.435 | C | S | . | . | trans | -69.3 | 111.9 | -177.4 | -159.9 | 138.6 | 0 | 0 | 0 | 109.4 | T20 L27 I270 M346 | T20-L22 PolarHBondContact O-N 3.24Å; L22-L27 HydrophobicContact CD2-CB 4.42Å; L22-L27 HydrophobicContact CD2-CD1 4.06Å; L22-I270 HydrophobicContact CB-CD1 4.34Å; L22-I270 HydrophobicContact CD2-CD1 3.53Å; L22-M346 HydrophobicContact CD1-SD 3.85Å; L22-M346 HydrophobicContact CD2-SD 4.2Å | ||
| 23 | T | 81.1 | Confident | 65.6 | Low | 62 Ų | 62 | 70.3 Ų | 70.3 | 38% | 0.38 | 43% | 0.434 | S | S | . | . | trans | -95.8 | 157.5 | -177.2 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | A21 E25 Q26 L27 | A21-T23 WeakPolarHBondContact O-CG2 3.33Å; A21-T23 PolarHBondContact O-N 2.94Å; A21-T23 VanDerWaalsContact O-N 3.17Å; T23-E25 PolarHBondContact O-N 3.14Å; T23-Q26 VanDerWaalsContact N-OE1 3.12Å; T23-Q26 PolarHBondContact O-N 3.38Å; T23-Q26 VanDerWaalsContact O-N 3.16Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.41Å; T23-Q26 PolarHBondContact OG1-N 3.29Å; T23-L27 PolarHBondContact O-N 3.46Å; T23-L27 VanDerWaalsContact O-N 3.09Å | ||
| 24 | G | 79.3 | Confident | 68.3 | Low | 15 Ų | 15 | 67.6 Ų | 67.6 | 16% | 0.155 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.9 | -33.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L27 L28 | G24-L27 PolarHBondContact O-N 2.97Å; G24-L28 PolarHBondContact O-N 3.5Å |
| 25 | E | 84.2 | Confident | 71.1 | Confident | 162 Ų | 162 | 63.7 Ų | 63.7 | 76% | 0.757 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.9 | -38.9 | 177.1 | -63.5 | -167.2 | 163.6 | 0 | 0 | 112.7 | T23 L27 L28 G29 | T23-E25 PolarHBondContact O-N 3.14Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 2.93Å; E25-L28 PolarHBondContact O-N 2.98Å; E25-G29 PolarHBondContact O-N 3.32Å |
| 26 | Q | 85.1 | Confident | 73.7 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 173.8 | -71.3 | 171.1 | -9.6 | 0 | 0 | 111.4 | A21 T23 S30 | A21-Q26 PolarHBondContact O-OE1 3.21Å; T23-Q26 VanDerWaalsContact N-OE1 3.12Å; T23-Q26 PolarHBondContact O-N 3.38Å; T23-Q26 VanDerWaalsContact O-N 3.16Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.41Å; T23-Q26 PolarHBondContact OG1-N 3.29Å; Q26-S30 WeakPolarHBondContact O-CB 3.48Å; Q26-S30 PolarHBondContact O-N 3.47Å; Q26-S30 PolarHBondContact O-OG 2.8Å |
| 27 | L | 86.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.3 | -45.6 | 176.5 | -165.1 | 142.7 | 0 | 0 | 0 | 111.4 | L22 T23 G24 E25 G29 S30 L31 L272 W277 F288 L324 M326 L343 M346 | L22-L27 HydrophobicContact CD2-CB 4.42Å; L22-L27 HydrophobicContact CD2-CD1 4.06Å; T23-L27 PolarHBondContact O-N 3.46Å; T23-L27 VanDerWaalsContact O-N 3.09Å; G24-L27 PolarHBondContact O-N 2.97Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 2.93Å; L27-G29 PolarHBondContact O-N 3.14Å; L27-S30 PolarHBondContact O-N 3.32Å; L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 PolarHBondContact O-N 3.3Å; L27-L272 HydrophobicContact CD1-CD2 4.41Å; L27-L272 HydrophobicContact CD2-CD2 3.89Å; L27-W277 HydrophobicContact CD2-CH2 3.41Å; L27-W277 VanDerWaalsContact CD2-CH2 3.41Å; L27-W277 HydrophobicContact CD2-CZ2 3.74Å; L27-F288 HydrophobicContact CD1-CE1 3.59Å; L27-F288 HydrophobicContact CD1-CZ 3.55Å; L27-L324 HydrophobicContact CD1-CD2 4.41Å; L27-M326 HydrophobicContact CD2-CE 4.27Å; L27-M326 HydrophobicContact CD2-SD 4.33Å; L27-L343 HydrophobicContact CD2-CD1 4.38Å; L27-L343 HydrophobicContact CG-CD1 4.2Å; L27-M346 HydrophobicContact CD1-SD 4.45Å |
| 28 | L | 89.4 | Confident | 78.9 | Confident | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 172.4 | 172.5 | 62.6 | 0 | 0 | 0 | 111.3 | G24 E25 S30 L31 L32 A40 W277 W281 | G24-L28 PolarHBondContact O-N 3.5Å; E25-L28 PolarHBondContact O-N 2.98Å; L28-S30 PolarHBondContact O-N 3.3Å; L28-L31 PolarHBondContact O-N 3.04Å; L28-L32 HydrophobicContact CD1-CD1 3.8Å; L28-L32 HydrophobicContact CD1-CD2 4.24Å; L28-L32 HydrophobicContact CD1-CG 3.76Å; L28-L32 HydrophobicContact CG-CD1 3.96Å; L28-L32 HydrophobicContact CG-CG 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 3.12Å; L28-A40 HydrophobicContact CD1-CB 4.28Å; L28-W277 HydrophobicContact CB-CD2 3.87Å; L28-W277 HydrophobicContact CB-CE3 4.05Å; L28-W277 HydrophobicContact CB-CG 4.39Å; L28-W277 HydrophobicContact CB-CH2 4.37Å; L28-W277 HydrophobicContact CB-CZ2 4.18Å; L28-W277 HydrophobicContact CB-CZ3 4.29Å; L28-W277 HydrophobicContact CD1-CD2 3.93Å; L28-W277 HydrophobicContact CD1-CE3 3.46Å; L28-W277 VanDerWaalsContact CD1-CE3 3.46Å; L28-W277 HydrophobicContact CD1-CG 4.42Å; L28-W277 HydrophobicContact CD1-CZ3 3.97Å; L28-W277 HydrophobicContact CD2-CB 3.99Å; L28-W277 HydrophobicContact CD2-CD2 4.17Å; L28-W277 HydrophobicContact CD2-CG 3.93Å; L28-W277 HydrophobicContact CG-CD2 4.2Å; L28-W277 HydrophobicContact CG-CE3 4.19Å; L28-W277 HydrophobicContact CG-CG 4.48Å; L28-W281 HydrophobicContact CD1-CZ2 4.31Å |
| 29 | G | 88.9 | Confident | 81.3 | Confident | 37 Ų | 37 | 70 Ų | 70 | 38% | 0.381 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E25 L27 L31 Q33 | E25-G29 PolarHBondContact O-N 3.32Å; L27-G29 PolarHBondContact O-N 3.14Å; G29-L31 VanDerWaalsContact C-N 3.3Å; G29-L31 PolarHBondContact O-N 3.32Å; G29-Q33 WeakPolarHBondContact O-CB 3.39Å; G29-Q33 PolarHBondContact O-N 3.34Å |
| 30 | S | 87.9 | Confident | 83.4 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 112 | Q26 L27 L28 Q34 | Q26-S30 WeakPolarHBondContact O-CB 3.48Å; Q26-S30 PolarHBondContact O-N 3.47Å; Q26-S30 PolarHBondContact O-OG 2.8Å; L27-S30 PolarHBondContact O-N 3.32Å; L28-S30 PolarHBondContact O-N 3.3Å; S30-Q34 WeakPolarHBondContact O-CB 3.17Å; S30-Q34 PolarHBondContact O-N 3.11Å |
| 31 | L | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.8 | -42.2 | -177.6 | -168.9 | 147.1 | 0 | 0 | 0 | 112 | L27 L28 G29 Q34 L35 W281 M326 V328 L343 | L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 PolarHBondContact O-N 3.3Å; L28-L31 PolarHBondContact O-N 3.04Å; G29-L31 VanDerWaalsContact C-N 3.3Å; G29-L31 PolarHBondContact O-N 3.32Å; L31-Q34 PolarHBondContact O-N 2.93Å; L31-L35 HydrophobicContact CD2-CD1 3.56Å; L31-L35 HydrophobicContact CG-CD1 4.32Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.47Å; L31-W281 HydrophobicContact CD2-CH2 2.95Å; L31-W281 HydrophobicContact CD2-CZ2 3.79Å; L31-W281 HydrophobicContact CD2-CZ3 3.44Å; L31-W281 VanDerWaalsContact CD2-CZ3 3.44Å; L31-W281 HydrophobicContact CG-CH2 4.43Å; L31-M326 HydrophobicContact CD1-CE 3.76Å; L31-M326 HydrophobicContact CD1-SD 3.59Å; L31-M326 VanDerWaalsContact CD1-SD 3.59Å; L31-V328 HydrophobicContact CD1-CG1 4.13Å; L31-V328 HydrophobicContact CD2-CG1 4.48Å; L31-L343 HydrophobicContact CB-CD1 4.32Å; L31-L343 HydrophobicContact CB-CD2 4.13Å; L31-L343 HydrophobicContact CD1-CD1 4.16Å |
| 32 | L | 90.8 | Very high | 85.9 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 172.1 | -71.4 | -179.5 | 0 | 0 | 0 | 111.8 | L28 Q34 L35 Q36 L37 E39 W281 | L28-L32 HydrophobicContact CD1-CD1 3.8Å; L28-L32 HydrophobicContact CD1-CD2 4.24Å; L28-L32 HydrophobicContact CD1-CG 3.76Å; L28-L32 HydrophobicContact CG-CD1 3.96Å; L28-L32 HydrophobicContact CG-CG 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 3.12Å; L32-Q34 PolarHBondContact O-N 3.03Å; L32-L35 CarbonylContact O-C 3.47Å; L32-L35 PolarHBondContact O-N 3.3Å; L32-Q36 WeakPolarHBondContact O-CA 3.47Å; L32-Q36 PolarHBondContact O-N 2.97Å; L32-L37 WeakPolarHBondContact CB-O 3.46Å; L32-L37 HydrophobicContact CD2-CB 3.81Å; L32-L37 PolarHBondContact O-N 3.24Å; L32-E39 WeakPolarHBondContact CD2-O 3.42Å; L32-W281 HydrophobicContact CD2-CH2 4.45Å |
| 33 | Q | 90.6 | Very high | 86.2 | Confident | 160 Ų | 160 | 68.4 Ų | 68.4 | 75% | 0.748 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.1 | -43.8 | 177 | -176 | -179.7 | -4.5 | 0 | 0 | 112 | G29 L35 Q36 | G29-Q33 WeakPolarHBondContact O-CB 3.39Å; G29-Q33 PolarHBondContact O-N 3.34Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-Q36 PolarHBondContact O-N 3.05Å |
| 34 | Q | 88.5 | Confident | 85.9 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.3 | -33.4 | 179.5 | -175.5 | 164.3 | -16.1 | 0 | 0 | 112.6 | S30 L31 L32 Q36 V341 S342 | S30-Q34 WeakPolarHBondContact O-CB 3.17Å; S30-Q34 PolarHBondContact O-N 3.11Å; L31-Q34 PolarHBondContact O-N 2.93Å; L32-Q34 PolarHBondContact O-N 3.03Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å; Q34-V341 VanDerWaalsContact CD-CG1 3.48Å; Q34-V341 HydrophobicContact CG-CG1 3.96Å; Q34-S342 PolarHBondContact NE2-O 3.28Å; Q34-S342 PolarHBondContact OE1-O 3.12Å |
| 35 | L | 87.5 | Confident | 85.4 | Confident | 32 Ų | 32 | 79.3 Ų | 79.3 | 17% | 0.168 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -85.1 | -5.9 | 175.9 | -68.8 | 175.3 | 0 | 0 | 0 | 113.8 | L31 L32 Q33 L37 W281 V328 I330 V341 | L31-L35 HydrophobicContact CD2-CD1 3.56Å; L31-L35 HydrophobicContact CG-CD1 4.32Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.47Å; L32-L35 CarbonylContact O-C 3.47Å; L32-L35 PolarHBondContact O-N 3.3Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; L35-L37 HydrophobicContact CB-CD1 3.9Å; L35-L37 HydrophobicContact CB-CG 3.91Å; L35-L37 HydrophobicContact CD1-CD1 4.06Å; L35-L37 PolarHBondContact O-N 3.48Å; L35-W281 HydrophobicContact CD1-CH2 4.24Å; L35-W281 HydrophobicContact CD1-CZ3 3.71Å; L35-V328 HydrophobicContact CD1-CG2 4.13Å; L35-V328 HydrophobicContact CD2-CG2 4.44Å; L35-I330 HydrophobicContact CD1-CG2 4.37Å; L35-V341 HydrophobicContact CD2-CG2 3.59Å; L35-V341 HydrophobicContact CG-CG2 4.25Å |
| 36 | Q | 88.5 | Confident | 84.6 | Confident | 181 Ų | 181 | 75 Ų | 75 | 85% | 0.846 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 36.3 | -174.1 | -54.3 | 176.6 | 6.8 | 0 | 0 | 113 | L32 Q33 Q34 | L32-Q36 WeakPolarHBondContact O-CA 3.47Å; L32-Q36 PolarHBondContact O-N 2.97Å; Q33-Q36 PolarHBondContact O-N 3.05Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å |
| 37 | L | 86.9 | Confident | 83.8 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | trans | -102.1 | 144.7 | 176.6 | -64.5 | 175.2 | 0 | 0 | 0 | 110.1 | L32 L35 P41 I330 | L32-L37 WeakPolarHBondContact CB-O 3.46Å; L32-L37 HydrophobicContact CD2-CB 3.81Å; L32-L37 PolarHBondContact O-N 3.24Å; L35-L37 HydrophobicContact CB-CD1 3.9Å; L35-L37 HydrophobicContact CB-CG 3.91Å; L35-L37 HydrophobicContact CD1-CD1 4.06Å; L35-L37 PolarHBondContact O-N 3.48Å; L37-P41 HydrophobicContact CD1-CG 3.92Å; L37-I330 HydrophobicContact CD1-CG2 4.38Å | ||
| 38 | S | 85.5 | Confident | 82.7 | Confident | 115 Ų | 115 | 76.6 Ų | 76.6 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -83.2 | -32.1 | 174.8 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 39 | E | 87.3 | Confident | 81.5 | Confident | 152 Ų | 152 | 83.5 Ų | 83.5 | 71% | 0.71 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -142.4 | 160.2 | -177.3 | -65.3 | -177.3 | 179.9 | 0 | 0 | 110.5 | L32 | L32-E39 WeakPolarHBondContact CD2-O 3.42Š|
| 40 | A | 86.1 | Confident | 80.4 | Confident | 33 Ų | 33 | 89.8 Ų | 89.8 | 27% | 0.273 | 47% | 0.465 | S | S | . | . | trans | -64.9 | 136.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L28 V42 W281 | L28-A40 HydrophobicContact CD1-CB 4.28Å; A40-V42 PolarHBondContact O-N 2.81Å; A40-W281 HydrophobicContact CB-CZ2 4.04Å | ||
| 41 | P | 85.5 | Confident | 79.6 | Confident | 26 Ų | 26 | 89.3 Ų | 89.3 | 17% | 0.169 | 46% | 0.459 | C | S | . | . | trans | -62.5 | 129.9 | 177.4 | -18.3 | 29.5 | 0 | 0 | 0 | 111.6 | L37 W281 I330 | L37-P41 HydrophobicContact CD1-CG 3.92Å; P41-W281 HydrophobicContact CG-CD2 4.16Å; P41-W281 HydrophobicContact CG-CE3 3.78Å; P41-W281 HydrophobicContact CG-CH2 4.48Å; P41-W281 HydrophobicContact CG-CZ3 3.96Å; P41-I330 HydrophobicContact CG-CG2 4.44Å | ||
| 42 | V | 80.9 | Confident | 79.2 | Confident | 122 Ų | 122 | 95 Ų | 95 | 74% | 0.739 | 49% | 0.494 | S | S | * | . | trans | -88.5 | 113 | 169.6 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | A40 | A40-V42 PolarHBondContact O-N 2.81Š| ||
| 43 | L | 79.4 | Confident | 78.8 | Confident | 10 Ų | 10 | 95.6 Ų | 95.6 | 5% | 0.052 | 50% | 0.497 | C | S | . | . | trans | -108.9 | 129.6 | 176.1 | -62 | -175.3 | 0 | 0 | 0 | 109.7 | N280 W281 S329 K331 T336 | L43-N280 HydrophobicContact CB-CB 4.32Å; L43-N280 WeakPolarHBondContact CD1-O 3.31Å; L43-W281 HydrophobicContact CD1-CB 3.65Å; L43-W281 HydrophobicContact CG-CB 4.19Å; L43-S329 WeakPolarHBondContact CD1-OG 3.41Å; L43-K331 HydrophobicContact CD2-CD 4.01Å; L43-K331 HydrophobicContact CD2-CG 3.79Å; L43-T336 HydrophobicContact CD1-CG2 4.41Å; L43-T336 HydrophobicContact CD2-CG2 3.56Å | ||
| 44 | D | 76.1 | Confident | 78.8 | Confident | 100 Ų | 100 | 90 Ų | 90 | 54% | 0.535 | 47% | 0.474 | S | S | . | . | trans | -78.7 | 152.2 | 177.9 | -65.8 | -51 | 0 | 0 | 0 | 110.2 | A46 D47 M48 | D44-A46 PolarHBondContact O-N 3.29Å; D44-A46 VanDerWaalsContact O-N 3.14Å; D44-D47 WeakPolarHBondContact O-CB 3.44Å; D44-D47 PolarHBondContact O-N 3.37Å; D44-M48 PolarHBondContact O-N 3.12Å | ||
| 45 | R | 68.3 | Low | 78.7 | Confident | 206 Ų | 206 | 89.9 Ų | 89.9 | 78% | 0.777 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57 | -32 | -179.2 | -73.7 | -176.1 | 175 | 179.5 | -1.8 | 113.7 | M48 E49 | R45-M48 WeakPolarHBondContact O-CB 3.42Å; R45-M48 PolarHBondContact O-N 3.25Å; R45-E49 PolarHBondContact O-N 3.44Å |
| 46 | A | 66.9 | Low | 78.7 | Confident | 72 Ų | 72 | 94.8 Ų | 94.8 | 60% | 0.595 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D44 M48 E49 | D44-A46 PolarHBondContact O-N 3.29Å; D44-A46 VanDerWaalsContact O-N 3.14Å; A46-M48 PolarHBondContact O-N 3.39Å; A46-E49 PolarHBondContact O-N 3.38Å |
| 47 | D | 68.8 | Low | 78.8 | Confident | 47 Ų | 47 | 86.5 Ų | 86.5 | 25% | 0.251 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70 | -18.6 | 177.9 | -67.3 | -24.9 | 0 | 0 | 0 | 112.1 | D44 K331 T336 | D44-D47 WeakPolarHBondContact O-CB 3.44Å; D44-D47 PolarHBondContact O-N 3.37Å; D47-K331 WeakPolarHBondContact OD2-CE 3.43Å; D47-K331 IonicContact OD2-NZ 3.26Å; D47-K331 PolarHBondContact OD2-NZ 2.96Å; D47-T336 HydrophobicContact CB-CG2 4Å |
| 48 | M | 62.8 | Low | 78.7 | Confident | 65 Ų | 65 | 90.2 Ų | 90.2 | 32% | 0.32 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -85.9 | -35.2 | 178.2 | -77.9 | -154.7 | 64 | 0 | 0 | 113.8 | D44 R45 A46 E50 L51 N280 L283 | D44-M48 PolarHBondContact O-N 3.12Å; R45-M48 WeakPolarHBondContact O-CB 3.42Å; R45-M48 PolarHBondContact O-N 3.25Å; A46-M48 PolarHBondContact O-N 3.39Å; M48-E50 PolarHBondContact O-N 3.07Å; M48-L51 WeakPolarHBondContact O-CB 3.39Å; M48-L51 PolarHBondContact O-N 3.28Å; M48-L51 VanDerWaalsContact O-N 3.12Å; M48-N280 HydrophobicContact CG-CB 4.39Å; M48-N280 WeakPolarHBondContact SD-CA 3.49Å; M48-N280 HydrophobicContact SD-CB 3.48Å; M48-N280 WeakPolarHBondContact SD-CB 3.49Å; M48-N280 PolarHBondContact SD-OD1 3.11Å; M48-N280 VanDerWaalsContact SD-OD1 3.38Å; M48-L283 HydrophobicContact CE-CD2 4.41Å |
| 49 | E | 64.7 | Low | 78.8 | Confident | 180 Ų | 180 | 87.4 Ų | 87.4 | 84% | 0.841 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.6 | -26.4 | -179.2 | -71.4 | -178.5 | 173.2 | 0 | 0 | 112.3 | R45 A46 | R45-E49 PolarHBondContact O-N 3.44Å; A46-E49 PolarHBondContact O-N 3.38Å |
| 50 | E | 65.4 | Low | 78.9 | Confident | 170 Ų | 170 | 85 Ų | 85 | 79% | 0.794 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.9 | 175.3 | -157.2 | 173.9 | -178.5 | 0 | 0 | 113.1 | M48 V52 | M48-E50 PolarHBondContact O-N 3.07Å; E50-V52 PolarHBondContact O-N 3.11Å; E50-V52 VanDerWaalsContact O-N 3.1Å |
| 51 | L | 72.2 | Confident | 79 | Confident | 32 Ų | 32 | 84.7 Ų | 84.7 | 17% | 0.168 | 45% | 0.445 | C | S | . | . | trans | -81.4 | 96 | -170.3 | -166.3 | 72.1 | 0 | 0 | 0 | 112.2 | M48 L283 | M48-L51 WeakPolarHBondContact O-CB 3.39Å; M48-L51 PolarHBondContact O-N 3.28Å; M48-L51 VanDerWaalsContact O-N 3.12Å; L51-L283 HydrophobicContact CD2-CD1 3.66Å; L51-L283 HydrophobicContact CD2-CD2 3.82Å; L51-L283 HydrophobicContact CD2-CG 4.35Å; L51-L283 HydrophobicContact CG-CD1 4.49Å | ||
| 52 | V | 79.9 | Confident | 79.1 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 73% | 0.727 | 46% | 0.455 | S | S | * | . | trans | -96.4 | 119.1 | 171.6 | -174.6 | 0 | 0 | 0 | 0 | 110 | E50 P54 | E50-V52 PolarHBondContact O-N 3.11Å; E50-V52 VanDerWaalsContact O-N 3.1Å; V52-P54 WeakPolarHBondContact O-CD 3.49Å | ||
| 53 | I | 83.6 | Confident | 79.5 | Confident | 33 Ų | 33 | 83.5 Ų | 83.5 | 17% | 0.169 | 44% | 0.438 | C | S | . | . | trans | -64.7 | 115.6 | 173.4 | -57.4 | 173.5 | 0 | 0 | 0 | 109.5 | V57 R58 L283 I327 | I53-V57 HydrophobicContact CG2-CB 4.12Å; I53-V57 HydrophobicContact CG2-CG1 4.01Å; I53-R58 HydrophobicContact CG2-CB 4.5Å; I53-L283 HydrophobicContact CD1-CB 4.19Å; I53-L283 HydrophobicContact CD1-CD1 3.97Å; I53-L283 HydrophobicContact CG1-CD1 3.86Å; I53-I327 HydrophobicContact CD1-CD1 4.3Å; I53-I327 HydrophobicContact CD1-CG2 4.35Å; I53-I327 HydrophobicContact CG2-CD1 4.22Å | ||
| 54 | P | 90.1 | Very high | 79.8 | Confident | 43 Ų | 43 | 85 Ų | 85 | 28% | 0.279 | 45% | 0.446 | S | S | . | . | trans | -62.8 | 150.2 | -179.2 | -23.3 | 34.4 | 0 | 0 | 0 | 112.8 | V52 H56 V57 R58 P338 | V52-P54 WeakPolarHBondContact O-CD 3.49Å; P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 WeakPolarHBondContact CB-CE1 3.46Å; P54-H56 WeakPolarHBondContact CB-ND1 3.39Å; P54-H56 PolarHBondContact O-N 2.77Å; P54-V57 HydrophobicContact CB-CG2 4.15Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 PolarHBondContact O-N 3.45Å; P54-V57 VanDerWaalsContact O-N 3.13Å; P54-R58 PolarHBondContact O-N 2.8Å; P54-R58 VanDerWaalsContact O-N 3.09Å; P54-P338 HydrophobicContact CG-CG 4.26Å | ||
| 55 | A | 86.5 | Confident | 80.2 | Confident | 83 Ų | 83 | 82.9 Ų | 82.9 | 69% | 0.686 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.7 | -35.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R58 A59 | A55-R58 PolarHBondContact O-N 3.25Å; A55-A59 WeakPolarHBondContact O-CB 3.27Å; A55-A59 PolarHBondContact O-N 2.83Å |
| 56 | H | 88.1 | Confident | 80.9 | Confident | 135 Ų | 135 | 79.2 Ų | 79.2 | 63% | 0.625 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.2 | -39.8 | 178.6 | 66.4 | -90.7 | 0 | 0 | 0 | 112.5 | P54 A59 Q60 | P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 WeakPolarHBondContact CB-CE1 3.46Å; P54-H56 WeakPolarHBondContact CB-ND1 3.39Å; P54-H56 PolarHBondContact O-N 2.77Å; H56-A59 PolarHBondContact O-N 3.49Å; H56-Q60 WeakPolarHBondContact O-CB 3.43Å; H56-Q60 PolarHBondContact O-N 3.1Å |
| 57 | V | 89.6 | Confident | 81.6 | Confident | 6 Ų | 6 | 84.2 Ų | 84.2 | 4% | 0.036 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 175 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | I53 P54 A59 Q60 Y61 I327 V340 | I53-V57 HydrophobicContact CG2-CB 4.12Å; I53-V57 HydrophobicContact CG2-CG1 4.01Å; P54-V57 HydrophobicContact CB-CG2 4.15Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 PolarHBondContact O-N 3.45Å; P54-V57 VanDerWaalsContact O-N 3.13Å; V57-A59 PolarHBondContact O-N 3.14Å; V57-Q60 PolarHBondContact O-N 3.49Å; V57-Y61 WeakPolarHBondContact O-CB 3.2Å; V57-Y61 PolarHBondContact O-N 2.99Å; V57-I327 HydrophobicContact CG1-CG2 4.18Å; V57-V340 HydrophobicContact CB-CG2 4.47Å; V57-V340 HydrophobicContact CG1-CG2 3.52Å; V57-V340 WeakPolarHBondContact O-CG2 3.45Å |
| 58 | R | 85.6 | Confident | 81.7 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 54% | 0.543 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61 | -45 | 176.7 | -169.2 | -177.9 | -62.4 | 169.8 | 1.9 | 112 | I53 P54 A55 Q60 Y61 V62 | I53-R58 HydrophobicContact CG2-CB 4.5Å; P54-R58 PolarHBondContact O-N 2.8Å; P54-R58 VanDerWaalsContact O-N 3.09Å; A55-R58 PolarHBondContact O-N 3.25Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; R58-Q60 PolarHBondContact O-N 3.47Å; R58-Y61 PolarHBondContact O-N 3.05Å; R58-V62 WeakPolarHBondContact O-CG2 3.34Å; R58-V62 PolarHBondContact O-N 2.76Å |
| 59 | A | 86.4 | Confident | 81.9 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | A55 H56 V57 T63 | A55-A59 WeakPolarHBondContact O-CB 3.27Å; A55-A59 PolarHBondContact O-N 2.83Å; H56-A59 PolarHBondContact O-N 3.49Å; V57-A59 PolarHBondContact O-N 3.14Å; A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 PolarHBondContact O-N 2.8Å; A59-T63 PolarHBondContact O-OG1 3.07Å |
| 60 | Q | 89.6 | Confident | 81.6 | Confident | 102 Ų | 102 | 85.5 Ų | 85.5 | 48% | 0.477 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 174.8 | -177.4 | 179.3 | -4.2 | 0 | 0 | 111.5 | H56 V57 R58 T63 L64 V340 | H56-Q60 WeakPolarHBondContact O-CB 3.43Å; H56-Q60 PolarHBondContact O-N 3.1Å; V57-Q60 PolarHBondContact O-N 3.49Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; R58-Q60 PolarHBondContact O-N 3.47Å; Q60-T63 PolarHBondContact O-N 2.8Å; Q60-L64 PolarHBondContact O-N 2.89Å; Q60-L64 VanDerWaalsContact O-N 3.11Å; Q60-V340 HydrophobicContact CB-CG2 4.24Å; Q60-V340 HydrophobicContact CG-CB 4.44Å; Q60-V340 HydrophobicContact CG-CG2 4.25Å |
| 61 | Y | 88.9 | Confident | 80.5 | Confident | 25 Ų | 25 | 83.5 Ų | 83.5 | 10% | 0.098 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57.4 | -50.9 | 176.5 | 172.1 | -100.8 | 0 | 0 | 0 | 112.1 | V57 R58 T63 L64 L65 E284 P325 I327 | V57-Y61 WeakPolarHBondContact O-CB 3.2Å; V57-Y61 PolarHBondContact O-N 2.99Å; R58-Y61 PolarHBondContact O-N 3.05Å; Y61-T63 VanDerWaalsContact C-N 3.28Å; Y61-T63 PolarHBondContact O-N 3.16Å; Y61-L64 PolarHBondContact O-N 3.38Å; Y61-L64 VanDerWaalsContact O-N 3.14Å; Y61-L65 HydrophobicContact CE1-CD2 4.36Å; Y61-L65 PolarHBondContact O-N 2.82Å; Y61-E284 HydrophobicContact CE2-CB 4.33Å; Y61-P325 HydrophobicContact CD2-CB 4.01Å; Y61-P325 HydrophobicContact CD2-CG 4.46Å; Y61-P325 HydrophobicContact CE2-CB 4.11Å; Y61-P325 HydrophobicContact CE2-CG 4.2Å; Y61-P325 WeakPolarHBondContact CE2-O 3.43Å; Y61-I327 HydrophobicContact CD1-CD1 4.15Å; Y61-I327 HydrophobicContact CD2-CD1 4.08Å; Y61-I327 HydrophobicContact CD2-CG1 3.62Å; Y61-I327 HydrophobicContact CE2-CG1 4.23Å; Y61-I327 HydrophobicContact CG-CD1 3.76Å; Y61-I327 HydrophobicContact CG-CG1 3.82Å |
| 62 | V | 87.4 | Confident | 79.3 | Confident | 60 Ų | 60 | 93 Ų | 93 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 179 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | R58 L64 L65 Q66 | R58-V62 WeakPolarHBondContact O-CG2 3.34Å; R58-V62 PolarHBondContact O-N 2.76Å; V62-L64 VanDerWaalsContact C-N 3.35Å; V62-L64 PolarHBondContact O-N 2.92Å; V62-L65 PolarHBondContact O-N 2.75Å; V62-Q66 WeakPolarHBondContact O-CG 3.45Å; V62-Q66 PolarHBondContact O-N 3.26Å |
| 63 | T | 88.4 | Confident | 77.3 | Confident | 63 Ų | 63 | 91.9 Ų | 91.9 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.5 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | A59 Q60 Y61 R67 | A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 PolarHBondContact O-N 2.8Å; A59-T63 PolarHBondContact O-OG1 3.07Å; Q60-T63 PolarHBondContact O-N 2.8Å; Y61-T63 VanDerWaalsContact C-N 3.28Å; Y61-T63 PolarHBondContact O-N 3.16Å; T63-R67 WeakPolarHBondContact O-CG 3.41Å; T63-R67 PolarHBondContact O-N 3.38Å |
| 64 | L | 86.9 | Confident | 75 | Confident | 41 Ų | 41 | 102.2 Ų | 102.2 | 22% | 0.215 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 176.9 | -68.3 | 175.1 | 0 | 0 | 0 | 111.8 | Q60 Y61 V62 Q66 R67 S68 P325 V340 | Q60-L64 PolarHBondContact O-N 2.89Å; Q60-L64 VanDerWaalsContact O-N 3.11Å; Y61-L64 PolarHBondContact O-N 3.38Å; Y61-L64 VanDerWaalsContact O-N 3.14Å; V62-L64 VanDerWaalsContact C-N 3.35Å; V62-L64 PolarHBondContact O-N 2.92Å; L64-Q66 PolarHBondContact O-N 2.74Å; L64-R67 PolarHBondContact O-N 2.77Å; L64-R67 VanDerWaalsContact O-N 3.16Å; L64-S68 PolarHBondContact O-N 2.87Å; L64-P325 HydrophobicContact CB-CB 3.72Å; L64-P325 HydrophobicContact CB-CG 4.08Å; L64-P325 HydrophobicContact CD1-CB 4.21Å; L64-V340 HydrophobicContact CD1-CG1 3.8Å |
| 65 | L | 84.1 | Confident | 72.2 | Confident | 56 Ų | 56 | 103.6 Ų | 103.6 | 29% | 0.293 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.9 | -169.1 | 70.6 | 0 | 0 | 0 | 111.4 | Y61 V62 R67 S68 H69 P325 | Y61-L65 HydrophobicContact CE1-CD2 4.36Å; Y61-L65 PolarHBondContact O-N 2.82Å; V62-L65 PolarHBondContact O-N 2.75Å; L65-R67 PolarHBondContact O-N 2.94Å; L65-S68 PolarHBondContact O-N 3.48Å; L65-S68 PolarHBondContact O-OG 3.27Å; L65-H69 PolarHBondContact O-CD2 3.43Å; L65-H69 VanDerWaalsContact O-CD2 3.24Å; L65-H69 PolarHBondContact O-N 3.47Å; L65-P325 HydrophobicContact CB-CG 4.27Å; L65-P325 HydrophobicContact CD1-CG 4.16Å |
| 66 | Q | 83.6 | Confident | 69.5 | Low | 129 Ų | 129 | 107.7 Ų | 107.7 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -31.4 | 176.4 | -72.7 | 177.6 | -2.9 | 0 | 0 | 113 | V62 L64 | V62-Q66 WeakPolarHBondContact O-CG 3.45Å; V62-Q66 PolarHBondContact O-N 3.26Å; L64-Q66 PolarHBondContact O-N 2.74Å |
| 67 | R | 80.3 | Confident | 66.7 | Low | 177 Ų | 177 | 111.9 Ų | 111.9 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -74.2 | -38.6 | 176.8 | -70.4 | 175.4 | -176.1 | -175.8 | 1.6 | 112.1 | T63 L64 L65 H69 | T63-R67 WeakPolarHBondContact O-CG 3.41Å; T63-R67 PolarHBondContact O-N 3.38Å; L64-R67 PolarHBondContact O-N 2.77Å; L64-R67 VanDerWaalsContact O-N 3.16Å; L65-R67 PolarHBondContact O-N 2.94Å; R67-H69 VanDerWaalsContact C-N 3.28Å; R67-H69 PolarHBondContact O-N 2.89Å |
| 68 | S | 71 | Confident | 63.8 | Low | 11 Ų | 11 | 119.3 Ų | 119.3 | 8% | 0.077 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -70.4 | -25.5 | 179.9 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | L64 L65 S323 R347 Q349 | L64-S68 PolarHBondContact O-N 2.87Å; L65-S68 PolarHBondContact O-N 3.48Å; L65-S68 PolarHBondContact O-OG 3.27Å; S68-S323 VanDerWaalsContact CB-O 3.27Å; S68-S323 WeakPolarHBondContact CB-O 3.33Å; S68-R347 VanDerWaalsContact C-NH2 3.27Å; S68-R347 PolarHBondContact O-NH2 3.25Å; S68-Q349 PolarHBondContact O-NE2 3.33Å; S68-Q349 VanDerWaalsContact O-NE2 3.11Å |
| 69 | H | 67.9 | Low | 61.2 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.3 | -0.9 | 179.3 | -79.9 | -95.5 | 0 | 0 | 0 | 115.7 | L65 R67 D71 R347 | L65-H69 PolarHBondContact O-CD2 3.43Å; L65-H69 VanDerWaalsContact O-CD2 3.24Å; L65-H69 PolarHBondContact O-N 3.47Å; R67-H69 VanDerWaalsContact C-N 3.28Å; R67-H69 PolarHBondContact O-N 2.89Å; H69-D71 PolarHBondContact O-N 2.68Å; H69-R347 PolarHBondContact CD2-NH2 2.83Å; H69-R347 PolarHBondContact CE1-NH1 2.95Å; H69-R347 PolarHBondContact ND1-NH2 2.86Å; H69-R347 PolarHBondContact NE2-NH1 3.23Å |
| 70 | R | 57.6 | Low | 58.4 | Low | 207 Ų | 207 | 123.4 Ų | 123.4 | 78% | 0.781 | 58% | 0.583 | S | S | * | * | trans | -70.6 | 96.7 | 177.1 | -89.3 | -177.1 | 175.7 | -171.4 | -1.1 | 110.9 | R72 | R70-R72 PolarHBondContact O-N 2.93Š| ||
| 71 | D | 43.6 | Very low | 55.5 | Low | 127 Ų | 127 | 124 Ų | 124 | 68% | 0.679 | 60% | 0.598 | S | S | * | * | trans | -56.5 | 119.6 | 166.4 | -84.4 | -35.5 | 0 | 0 | 0 | 110.7 | H69 | H69-D71 PolarHBondContact O-N 2.68Š| ||
| 72 | R | 45.7 | Very low | 52.9 | Low | 233 Ų | 233 | 128.7 Ų | 128.7 | 88% | 0.879 | 62% | 0.619 | S | S | * | * | trans | -103.1 | 65.3 | 170.3 | -77.3 | -176.4 | 171.8 | -178.9 | -1.5 | 109.8 | R70 | R70-R72 PolarHBondContact O-N 2.93Š| ||
| 73 | S | 38.5 | Very low | 50.6 | Low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | trans | -123 | 94.7 | 177.5 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 74 | R | 35.9 | Very low | 48.6 | Very low | 250 Ų | 250 | 137 Ų | 137 | 94% | 0.943 | 64% | 0.641 | S | S | * | * | trans | -124 | 77.9 | 159.5 | -85.1 | -173.2 | 175.2 | 179.9 | -0.7 | 109.2 | ||||
| 75 | G | 30.5 | Very low | 46.9 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 63% | 0.632 | S | S | * | * | trans | -84.2 | 111.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 76 | K | 28.8 | Very low | 45.3 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 73% | 0.73 | 64% | 0.641 | S | S | * | * | trans | -87.7 | 122.7 | 167.5 | -75.2 | -177.6 | 176.8 | -178.7 | 0 | 108.9 | F78 | K76-F78 PolarHBondContact O-N 3.09Š| ||
| 77 | R | 30.7 | Very low | 43.6 | Very low | 224 Ų | 224 | 129.1 Ų | 129.1 | 85% | 0.845 | 61% | 0.612 | S | S | * | * | trans | -68.1 | 120.6 | 171.9 | -86.1 | 178.7 | 176.6 | 161.1 | -0.6 | 110.3 | ||||
| 78 | F | 27.8 | Very low | 42.4 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | trans | -141.6 | 123.1 | 149.5 | -74.9 | -75.6 | 0 | 0 | 0 | 108.2 | K76 | K76-F78 PolarHBondContact O-N 3.09Š| ||
| 79 | S | 31.5 | Very low | 41.5 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 61% | 0.611 | S | S | * | * | trans | -106.2 | 131.7 | 176.2 | 167.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 80 | Q | 28.3 | Very low | 40.4 | Very low | 176 Ų | 176 | 128.7 Ų | 128.7 | 82% | 0.822 | 61% | 0.613 | S | S | * | * | trans | 178.7 | 141.5 | 142.9 | -97.9 | 168.7 | 21.4 | 0 | 0 | 109.4 | ||||
| 81 | S | 28.4 | Very low | 40.1 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 60% | 0.596 | S | S | * | * | trans | -96.4 | 157 | -171.4 | 81 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 82 | F | 34.3 | Very low | 40.5 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | trans | 53.5 | 113 | 160.3 | -133.3 | -96.7 | 0 | 0 | 0 | 119 | E84 L237 | F82-E84 HydrophobicContact CE1-CG 4.42Å; F82-L237 VanDerWaalsContact CE2-O 3.31Å; F82-L237 WeakPolarHBondContact CE2-O 3.32Å | ||
| 83 | R | 39 | Very low | 41.1 | Very low | 193 Ų | 193 | 114.6 Ų | 114.6 | 73% | 0.728 | 58% | 0.579 | S | S | * | * | trans | -143.6 | 117.5 | 158.1 | -66.3 | -172.8 | 177.4 | -164 | -1.2 | 110.3 | V85 R106 | R83-V85 PolarHBondContact O-N 3.07Å; R83-R106 PolarHBondContact O-NH1 2.97Å; R83-R106 VanDerWaalsContact O-NH1 3.11Å | ||
| 84 | E | 46.1 | Very low | 42.3 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | trans | -46.7 | 131.4 | 160.5 | -69.2 | 175.5 | -175.1 | 0 | 0 | 109.6 | F82 R106 Q234 | F82-E84 HydrophobicContact CE1-CG 4.42Å; E84-R106 PolarHBondContact O-NH1 2.87Å; E84-Q234 PolarHBondContact OE2-NE2 3.15Å | ||
| 85 | V | 51.7 | Low | 44.1 | Very low | 2 Ų | 2 | 105.9 Ų | 105.9 | 1% | 0.012 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 105.6 | 176.7 | -166.1 | 0 | 0 | 0 | 0 | 107.3 | R83 G87 F101 R106 L235 | R83-V85 PolarHBondContact O-N 3.07Å; V85-G87 PolarHBondContact O-N 3.14Å; V85-F101 HydrophobicContact CB-CD1 4.09Å; V85-F101 HydrophobicContact CG1-CB 3.96Å; V85-F101 HydrophobicContact CG1-CD1 3.89Å; V85-F101 HydrophobicContact CG1-CG 4.44Å; V85-F101 WeakPolarHBondContact O-CD1 3.26Å; V85-F101 WeakPolarHBondContact O-CE1 3.33Å; V85-R106 HydrophobicContact CG2-CB 4.33Å; V85-R106 HydrophobicContact CG2-CG 3.88Å; V85-L235 HydrophobicContact CB-CB 4.35Å; V85-L235 PolarHBondContact N-O 2.81Å; V85-L235 PolarHBondContact O-N 3.43Å |
| 86 | A | 49.5 | Very low | 46.6 | Very low | 58 Ų | 58 | 104 Ų | 104 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 118.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 87 | G | 48.7 | Very low | 49.2 | Very low | 0 Ų | 0 | 97.4 Ų | 97.4 | 0% | 0 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 131.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V85 P233 | V85-G87 PolarHBondContact O-N 3.14Å; G87-P233 PolarHBondContact N-O 3.13Å |
| 88 | R | 54.4 | Low | 51.8 | Low | 135 Ų | 135 | 88.5 Ų | 88.5 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 143.3 | 169.5 | 68.5 | -179.5 | 178.2 | 179.9 | -0.2 | 110.2 | L90 V100 | R88-L90 HydrophobicContact CG-CD2 4.24Å; R88-L90 HydrophobicContact CG-CG 4.43Å; R88-V100 HydrophobicContact CG-CB 3.79Å; R88-V100 HydrophobicContact CG-CG1 4.37Å; R88-V100 PolarHBondContact N-O 3.48Å; R88-V100 PolarHBondContact O-N 3.31Å |
| 89 | F | 52.2 | Low | 54.6 | Low | 49 Ų | 49 | 81 Ų | 81 | 22% | 0.215 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120 | -179.7 | -168.7 | -84.8 | 0 | 0 | 0 | 109.9 | A91 S92 H97 L99 | F89-A91 VanDerWaalsContact CE1-O 3.28Å; F89-A91 WeakPolarHBondContact CE1-O 3.45Å; F89-A91 VanDerWaalsContact CZ-C 3.41Å; F89-A91 WeakPolarHBondContact CZ-O 3.42Å; F89-S92 VanDerWaalsContact CE1-CA 3.46Å; F89-H97 HydrophobicContact CD2-CB 4.48Å; F89-H97 VanDerWaalsContact CE2-CA 3.5Å; F89-H97 HydrophobicContact CE2-CB 3.41Å; F89-H97 VanDerWaalsContact CE2-CB 3.41Å; F89-H97 AromaticContact CE2-CG 3.55Å; F89-H97 AromaticContact CE2-ND1 3.08Å; F89-H97 WeakPolarHBondContact CE2-ND1 3.29Å; F89-H97 HydrophobicContact CZ-CB 3.99Å; F89-H97 AromaticContact CZ-CG 3.92Å; F89-H97 AromaticContact CZ-ND1 3.15Å; F89-H97 WeakPolarHBondContact CZ-ND1 3.12Å; F89-L99 HydrophobicContact CD2-CD2 3.93Å |
| 90 | L | 45.5 | Very low | 57.2 | Low | 98 Ų | 98 | 75.9 Ų | 75.9 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -26.4 | -174.5 | -67.6 | -173.2 | 0 | 0 | 0 | 114.9 | R88 L98 V100 | R88-L90 HydrophobicContact CG-CD2 4.24Å; R88-L90 HydrophobicContact CG-CG 4.43Å; L90-L98 HydrophobicContact CB-CD2 4.42Å; L90-L98 PolarHBondContact N-O 2.82Å; L90-L98 VanDerWaalsContact N-O 3.13Å; L90-V100 HydrophobicContact CB-CG2 4.48Å; L90-V100 HydrophobicContact CD1-CB 4.21Å; L90-V100 HydrophobicContact CD1-CG2 3.34Å; L90-V100 HydrophobicContact CG-CB 4.46Å; L90-V100 HydrophobicContact CG-CG2 3.73Å |
| 91 | A | 51.7 | Low | 59.9 | Low | 52 Ų | 52 | 67.5 Ų | 67.5 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 125 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | F89 L98 | F89-A91 VanDerWaalsContact CE1-O 3.28Å; F89-A91 WeakPolarHBondContact CE1-O 3.45Å; F89-A91 VanDerWaalsContact CZ-C 3.41Å; F89-A91 WeakPolarHBondContact CZ-O 3.42Å; A91-L98 PolarHBondContact O-N 2.79Å |
| 92 | S | 51.7 | Low | 62.5 | Low | 73 Ų | 73 | 64.1 Ų | 64.1 | 51% | 0.51 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 102.1 | 172.8 | -155.4 | 0 | 0 | 0 | 0 | 107 | F89 T96 H97 | F89-S92 VanDerWaalsContact CE1-CA 3.46Å; S92-T96 WeakPolarHBondContact CA-O 3.49Å; S92-H97 PolarHBondContact OG-CE1 3.08Å; S92-H97 PolarHBondContact OG-ND1 3.13Å |
| 93 | E | 57.9 | Low | 64.6 | Low | 146 Ų | 146 | 58.5 Ų | 58.5 | 68% | 0.682 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 161.4 | 152.4 | -65.4 | -177.9 | 172.5 | 0 | 0 | 107.2 | S95 T96 | E93-S95 PolarHBondContact O-N 3.47Å; E93-T96 PolarHBondContact N-O 2.78Å; E93-T96 PolarHBondContact O-N 3.11Å; E93-T96 VanDerWaalsContact O-O 3.12Å |
| 94 | A | 63.3 | Low | 66.1 | Low | 115 Ų | 115 | 54.5 Ų | 54.5 | 95% | 0.95 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -13.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 95 | S | 73.8 | Confident | 67 | Low | 47 Ų | 47 | 58.2 Ų | 58.2 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.4 | 7.2 | 176.2 | 56 | 0 | 0 | 0 | 0 | 114 | E93 S202 V203 | E93-S95 PolarHBondContact O-N 3.47Å; S95-S202 CarbonylContact O-C 3.57Å; S95-S202 WeakPolarHBondContact O-CA 3.06Å; S95-V203 WeakPolarHBondContact CB-O 3.07Å; S95-V203 PolarHBondContact O-N 2.88Å |
| 96 | T | 83.1 | Confident | 67.9 | Low | 34 Ų | 34 | 61.7 Ų | 61.7 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.5 | -174.5 | -50.5 | 0 | 0 | 0 | 0 | 109.9 | S92 E93 Q200 V201 | S92-T96 WeakPolarHBondContact CA-O 3.49Å; E93-T96 PolarHBondContact N-O 2.78Å; E93-T96 PolarHBondContact O-N 3.11Å; E93-T96 VanDerWaalsContact O-O 3.12Å; T96-Q200 HydrophobicContact CG2-CG 3.74Å; T96-V201 CarbonylContact C-O 3.59Å; T96-V201 WeakPolarHBondContact CA-O 3.38Å |
| 97 | H | 83.8 | Confident | 68.9 | Low | 28 Ų | 28 | 60.2 Ų | 60.2 | 13% | 0.13 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 113 | -164.9 | -73.2 | -55.4 | 0 | 0 | 0 | 109.1 | F89 S92 V201 | F89-H97 HydrophobicContact CD2-CB 4.48Å; F89-H97 VanDerWaalsContact CE2-CA 3.5Å; F89-H97 HydrophobicContact CE2-CB 3.41Å; F89-H97 VanDerWaalsContact CE2-CB 3.41Å; F89-H97 AromaticContact CE2-CG 3.55Å; F89-H97 AromaticContact CE2-ND1 3.08Å; F89-H97 WeakPolarHBondContact CE2-ND1 3.29Å; F89-H97 HydrophobicContact CZ-CB 3.99Å; F89-H97 AromaticContact CZ-CG 3.92Å; F89-H97 AromaticContact CZ-ND1 3.15Å; F89-H97 WeakPolarHBondContact CZ-ND1 3.12Å; S92-H97 PolarHBondContact OG-CE1 3.08Å; S92-H97 PolarHBondContact OG-ND1 3.13Å; H97-V201 HydrophobicContact CB-CB 4.08Å; H97-V201 WeakPolarHBondContact CB-O 2.95Å; H97-V201 PolarHBondContact N-O 2.95Å; H97-V201 PolarHBondContact O-N 3.06Å |
| 98 | L | 86 | Confident | 69.9 | Low | 37 Ų | 37 | 61.9 Ų | 61.9 | 19% | 0.194 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115 | 175.9 | -176.4 | 63.2 | 0 | 0 | 0 | 111 | L90 A91 V100 L150 | L90-L98 HydrophobicContact CB-CD2 4.42Å; L90-L98 PolarHBondContact N-O 2.82Å; L90-L98 VanDerWaalsContact N-O 3.13Å; A91-L98 PolarHBondContact O-N 2.79Å; L98-V100 HydrophobicContact CG-CG2 4.42Å; L98-L150 HydrophobicContact CD1-CD2 3.71Å |
| 99 | L | 86.6 | Confident | 70.5 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134 | 178 | -55 | 179.7 | 0 | 0 | 0 | 110.7 | F89 F101 L118 L120 L198 L199 V201 P233 | F89-L99 HydrophobicContact CD2-CD2 3.93Å; L99-F101 HydrophobicContact CB-CD2 4.41Å; L99-F101 HydrophobicContact CB-CE2 3.59Å; L99-F101 HydrophobicContact CB-CZ 4.11Å; L99-F101 HydrophobicContact CD1-CE2 4.23Å; L99-F101 HydrophobicContact CD1-CZ 4.22Å; L99-L118 HydrophobicContact CD1-CD1 4.01Å; L99-L118 HydrophobicContact CD1-CD2 4.03Å; L99-L120 HydrophobicContact CD1-CD2 3.88Å; L99-L198 WeakPolarHBondContact O-CA 3.44Å; L99-L199 HydrophobicContact CB-CB 4.37Å; L99-L199 WeakPolarHBondContact CB-O 3.09Å; L99-L199 PolarHBondContact N-O 2.72Å; L99-L199 PolarHBondContact O-N 2.95Å; L99-V201 HydrophobicContact CD1-CG2 3.71Å; L99-V201 HydrophobicContact CG-CG2 4.29Å; L99-P233 HydrophobicContact CD1-CB 4.14Å; L99-P233 HydrophobicContact CD2-CB 4Å; L99-P233 HydrophobicContact CD2-CG 3.71Å |
| 100 | V | 86.2 | Confident | 71.5 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.1 | -179.7 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | R88 L90 L98 P196 L198 | R88-V100 HydrophobicContact CG-CB 3.79Å; R88-V100 HydrophobicContact CG-CG1 4.37Å; R88-V100 PolarHBondContact N-O 3.48Å; R88-V100 PolarHBondContact O-N 3.31Å; L90-V100 HydrophobicContact CB-CG2 4.48Å; L90-V100 HydrophobicContact CD1-CB 4.21Å; L90-V100 HydrophobicContact CD1-CG2 3.34Å; L90-V100 HydrophobicContact CG-CB 4.46Å; L90-V100 HydrophobicContact CG-CG2 3.73Å; L98-V100 HydrophobicContact CG-CG2 4.42Å; V100-P196 HydrophobicContact CG1-CB 3.68Å; V100-P196 HydrophobicContact CG1-CG 3.97Å; V100-L198 HydrophobicContact CB-CD2 3.96Å; V100-L198 HydrophobicContact CG1-CD2 3.72Å; V100-L198 HydrophobicContact CG2-CD2 3.33Å |
| 101 | F | 84.4 | Confident | 73 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.6 | -179.3 | -61.9 | -85.1 | 0 | 0 | 0 | 110 | V85 L99 M103 L118 P196 L197 L199 L235 | V85-F101 HydrophobicContact CB-CD1 4.09Å; V85-F101 HydrophobicContact CG1-CB 3.96Å; V85-F101 HydrophobicContact CG1-CD1 3.89Å; V85-F101 HydrophobicContact CG1-CG 4.44Å; V85-F101 WeakPolarHBondContact O-CD1 3.26Å; V85-F101 WeakPolarHBondContact O-CE1 3.33Å; L99-F101 HydrophobicContact CB-CD2 4.41Å; L99-F101 HydrophobicContact CB-CE2 3.59Å; L99-F101 HydrophobicContact CB-CZ 4.11Å; L99-F101 HydrophobicContact CD1-CE2 4.23Å; L99-F101 HydrophobicContact CD1-CZ 4.22Å; F101-M103 HydrophobicContact CB-SD 4.01Å; F101-M103 PolarHBondContact O-N 3.49Å; F101-L118 HydrophobicContact CE2-CD1 4.19Å; F101-L118 HydrophobicContact CZ-CD1 3.62Å; F101-P196 CarbonylContact O-C 3.47Å; F101-P196 VanDerWaalsContact O-CA 3.24Å; F101-P196 WeakPolarHBondContact O-CA 3.44Å; F101-P196 VanDerWaalsContact O-CB 3.22Å; F101-P196 WeakPolarHBondContact O-CB 3.24Å; F101-L197 HydrophobicContact CB-CB 4.24Å; F101-L197 HydrophobicContact CD2-CD2 4.46Å; F101-L197 PolarHBondContact N-O 2.89Å; F101-L197 PolarHBondContact O-N 2.89Å; F101-L199 HydrophobicContact CD2-CD1 4.33Å; F101-L199 HydrophobicContact CE2-CD1 3.93Å; F101-L199 HydrophobicContact CE2-CG 4.39Å; F101-L235 HydrophobicContact CB-CD2 4.13Å; F101-L235 HydrophobicContact CD1-CB 3.59Å; F101-L235 HydrophobicContact CD1-CD2 4Å; F101-L235 HydrophobicContact CD1-CG 4.46Å; F101-L235 HydrophobicContact CD2-CD2 4.35Å; F101-L235 HydrophobicContact CE1-CB 3.46Å; F101-L235 VanDerWaalsContact CE1-CB 3.46Å; F101-L235 HydrophobicContact CG-CB 4.29Å; F101-L235 HydrophobicContact CG-CD2 3.9Å; F101-L235 HydrophobicContact CZ-CB 4.07Å |
| 102 | G | 82.2 | Confident | 74.3 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | trans | -74.8 | 102.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R106 | G102-R106 WeakPolarHBondContact O-CG 3.42Š| ||
| 103 | M | 78.6 | Confident | 75.5 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | trans | -91.9 | 2.1 | -173.7 | -60.9 | -59.7 | -73.6 | 0 | 0 | 114 | F101 Q105 R106 V184 W187 L197 L235 L237 | F101-M103 HydrophobicContact CB-SD 4.01Å; F101-M103 PolarHBondContact O-N 3.49Å; M103-Q105 PolarHBondContact O-N 3.3Å; M103-R106 PolarHBondContact O-N 3.29Å; M103-R106 VanDerWaalsContact O-N 3.13Å; M103-V184 HydrophobicContact CE-CG1 4.03Å; M103-W187 HydrophobicContact CB-CD2 4.47Å; M103-W187 HydrophobicContact CB-CE3 4.37Å; M103-W187 HydrophobicContact CB-CH2 3.21Å; M103-W187 HydrophobicContact CB-CZ2 3.3Å; M103-W187 HydrophobicContact CB-CZ3 3.77Å; M103-W187 HydrophobicContact CE-CE3 4.4Å; M103-W187 HydrophobicContact CE-CZ3 4.32Å; M103-W187 HydrophobicContact CG-CD2 4.31Å; M103-W187 HydrophobicContact CG-CE3 4.41Å; M103-W187 HydrophobicContact CG-CH2 4.06Å; M103-W187 HydrophobicContact CG-CZ2 3.92Å; M103-W187 HydrophobicContact CG-CZ3 4.27Å; M103-L197 HydrophobicContact CG-CB 3.56Å; M103-L197 HydrophobicContact SD-CB 4.11Å; M103-L197 HydrophobicContact SD-CD2 4.34Å; M103-L235 HydrophobicContact CE-CD2 4.29Å; M103-L235 HydrophobicContact SD-CD2 3.86Å; M103-L237 HydrophobicContact CE-CD1 3.89Å | ||
| 104 | E | 70.1 | Confident | 76.4 | Confident | 109 Ų | 109 | 49 Ų | 49 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 123.4 | -179.6 | -173 | 165.4 | -156 | 0 | 0 | 110.9 | R106 R194 | E104-R106 PolarHBondContact O-N 2.9Å; E104-R106 VanDerWaalsContact O-N 3.12Å; E104-R194 IonicContact OE1-NE 3.77Å |
| 105 | Q | 64.6 | Low | 77.1 | Confident | 184 Ų | 184 | 45.6 Ų | 45.6 | 86% | 0.86 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 17.4 | -177.8 | -55.7 | 172.7 | 21 | 0 | 0 | 114.9 | M103 | M103-Q105 PolarHBondContact O-N 3.3Š|
| 106 | R | 71.2 | Confident | 77.7 | Confident | 74 Ų | 74 | 43.3 Ų | 43.3 | 28% | 0.279 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -23.8 | -179.4 | -61.7 | -58 | -173.2 | 123.8 | -0.8 | 114 | R83 E84 V85 G102 M103 E104 L237 | R83-R106 PolarHBondContact O-NH1 2.97Å; R83-R106 VanDerWaalsContact O-NH1 3.11Å; E84-R106 PolarHBondContact O-NH1 2.87Å; V85-R106 HydrophobicContact CG2-CB 4.33Å; V85-R106 HydrophobicContact CG2-CG 3.88Å; G102-R106 WeakPolarHBondContact O-CG 3.42Å; M103-R106 PolarHBondContact O-N 3.29Å; M103-R106 VanDerWaalsContact O-N 3.13Å; E104-R106 PolarHBondContact O-N 2.9Å; E104-R106 VanDerWaalsContact O-N 3.12Å; R106-L237 HydrophobicContact CB-CD1 4.41Å |
| 107 | L | 70.8 | Confident | 78 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -105.5 | 112.5 | 170.8 | -68.3 | 175.1 | 0 | 0 | 0 | 109 | L113 V184 W187 Q188 L237 T239 | L107-L113 HydrophobicContact CD2-CD1 4.1Å; L107-V184 HydrophobicContact CD1-CG1 4Å; L107-W187 HydrophobicContact CD1-CZ3 4.11Å; L107-Q188 HydrophobicContact CD1-CG 4.49Å; L107-L237 HydrophobicContact CD2-CD1 3.96Å; L107-L237 HydrophobicContact CG-CD1 4.48Å; L107-T239 HydrophobicContact CD2-CG2 3.99Å |
| 108 | P | 69.6 | Low | 78.3 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | trans | -60 | 141.9 | 175.4 | -21.3 | 28.8 | 0 | 0 | 0 | 111.9 | N110 S111 | P108-N110 PolarHBondContact O-N 3.12Å; P108-S111 WeakPolarHBondContact CB-OG 3.38Å; P108-S111 WeakPolarHBondContact CD-OG 3.17Å; P108-S111 PolarHBondContact O-N 2.79Å; P108-S111 PolarHBondContact O-OG 3.06Å | ||
| 109 | P | 68.3 | Low | 78.4 | Confident | 85 Ų | 85 | 42.1 Ų | 42.1 | 55% | 0.552 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.8 | -177.6 | 26.6 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 110 | N | 72.4 | Confident | 78.5 | Confident | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 31.9 | 177.5 | -66.9 | -11.1 | 0 | 0 | 0 | 111.7 | P108 L242 | P108-N110 PolarHBondContact O-N 3.12Å; N110-L242 VanDerWaalsContact O-CB 3.3Å; N110-L242 WeakPolarHBondContact O-CB 3.21Å; N110-L242 PolarHBondContact O-N 2.68Å |
| 111 | S | 77.1 | Confident | 78.7 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.6 | 179 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | P108 L240 | P108-S111 WeakPolarHBondContact CB-OG 3.38Å; P108-S111 WeakPolarHBondContact CD-OG 3.17Å; P108-S111 PolarHBondContact O-N 2.79Å; P108-S111 PolarHBondContact O-OG 3.06Å; S111-L240 CarbonylContact C-O 3.56Å; S111-L240 WeakPolarHBondContact CA-O 2.96Å; S111-L240 WeakPolarHBondContact CB-O 3.46Å |
| 112 | E | 77.6 | Confident | 78.9 | Confident | 64 Ų | 64 | 44.5 Ų | 44.5 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.5 | 173.3 | -177.9 | -178.7 | 153.4 | 0 | 0 | 108.8 | V114 T239 L240 L242 R314 | E112-V114 PolarHBondContact O-N 3.43Å; E112-T239 CarbonylContact O-C 3.59Å; E112-T239 WeakPolarHBondContact O-CA 3.24Å; E112-T239 WeakPolarHBondContact O-CB 3.47Å; E112-L240 PolarHBondContact N-O 3Å; E112-L240 PolarHBondContact O-N 2.85Å; E112-L242 HydrophobicContact CB-CD2 4.03Å; E112-R314 IonicContact OE1-CZ 3.68Å; E112-R314 IonicContact OE1-NH1 3.72Å; E112-R314 PolarHBondContact OE1-NH1 3.37Å; E112-R314 IonicContact OE1-NH2 3.69Å; E112-R314 IonicContact OE2-CZ 2.69Å; E112-R314 IonicContact OE2-NH1 3.47Å; E112-R314 PolarHBondContact OE2-NH1 3.08Å; E112-R314 IonicContact OE2-NH2 3.61Å; E112-R314 PolarHBondContact OE2-NH2 3.22Å |
| 113 | L | 78.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.4 | 171.8 | -177.9 | 73.2 | 0 | 0 | 0 | 109.4 | L107 Q115 A116 T181 V184 L237 T239 | L107-L113 HydrophobicContact CD2-CD1 4.1Å; L113-Q115 WeakPolarHBondContact CD1-O 3.05Å; L113-A116 HydrophobicContact CD1-CB 4.43Å; L113-A116 HydrophobicContact CD2-CB 4.42Å; L113-T181 HydrophobicContact CD2-CG2 4.47Å; L113-V184 HydrophobicContact CD2-CB 3.63Å; L113-V184 HydrophobicContact CD2-CG1 3.44Å; L113-V184 VanDerWaalsContact CD2-CG1 3.44Å; L113-L237 HydrophobicContact CD1-CB 4.36Å; L113-L237 HydrophobicContact CD1-CD2 4.27Å; L113-T239 HydrophobicContact CD1-CG2 4.07Å |
| 114 | V | 76 | Confident | 79.7 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 18% | 0.176 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -41.6 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 111 | E112 H238 L240 L304 | E112-V114 PolarHBondContact O-N 3.43Å; V114-H238 PolarHBondContact N-O 2.87Å; V114-L240 HydrophobicContact CG2-CB 4.32Å; V114-L240 HydrophobicContact CG2-CD1 3.42Å; V114-L240 VanDerWaalsContact CG2-CD1 3.42Å; V114-L240 HydrophobicContact CG2-CG 3.45Å; V114-L240 VanDerWaalsContact CG2-CG 3.45Å; V114-L304 WeakPolarHBondContact CG1-O 3.37Å |
| 115 | Q | 78.9 | Confident | 80.5 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 140.2 | -176.9 | -162.7 | -177.9 | 23.2 | 0 | 0 | 110.8 | L113 V117 T181 H238 F306 | L113-Q115 WeakPolarHBondContact CD1-O 3.05Å; Q115-V117 HydrophobicContact CG-CG2 3.79Å; Q115-T181 WeakPolarHBondContact CA-OG1 3.49Å; Q115-H238 HydrophobicContact CB-CB 4.09Å; Q115-H238 PolarHBondContact N-O 3.05Å; Q115-H238 VanDerWaalsContact N-O 3.16Å; Q115-H238 PolarHBondContact O-N 2.84Å; Q115-F306 HydrophobicContact CG-CD2 4.16Å; Q115-F306 HydrophobicContact CG-CE2 4.2Å |
| 116 | A | 85.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110 | L113 V180 T181 V184 E236 L237 | L113-A116 HydrophobicContact CD1-CB 4.43Å; L113-A116 HydrophobicContact CD2-CB 4.42Å; A116-V180 HydrophobicContact CB-CG2 3.99Å; A116-V180 WeakPolarHBondContact O-CG2 3.35Å; A116-V180 PolarHBondContact O-N 3.37Å; A116-T181 PolarHBondContact N-OG1 2.68Å; A116-T181 PolarHBondContact O-N 3.22Å; A116-T181 PolarHBondContact O-OG1 2.8Å; A116-V184 HydrophobicContact CB-CB 4.07Å; A116-V184 HydrophobicContact CB-CG2 3.5Å; A116-V184 VanDerWaalsContact CB-CG2 3.5Å; A116-E236 CarbonylContact C-O 3.4Å; A116-E236 WeakPolarHBondContact CA-O 3.49Å; A116-L237 HydrophobicContact CB-CD2 3.6Å |
| 117 | V | 88.8 | Confident | 82.6 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.9 | -171.4 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | Q115 R119 V177 E236 | Q115-V117 HydrophobicContact CG-CG2 3.79Å; V117-R119 HydrophobicContact CG1-CG 4.17Å; V117-V177 HydrophobicContact CG1-CB 4.49Å; V117-V177 HydrophobicContact CG1-CG1 3.14Å; V117-E236 HydrophobicContact CB-CB 4.35Å; V117-E236 PolarHBondContact N-O 2.98Å; V117-E236 PolarHBondContact O-N 2.91Å |
| 118 | L | 90.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.3 | 172.3 | 177 | 67.2 | 0 | 0 | 0 | 109.6 | L99 F101 L120 V147 V177 F178 V180 L199 V201 | L99-L118 HydrophobicContact CD1-CD1 4.01Å; L99-L118 HydrophobicContact CD1-CD2 4.03Å; F101-L118 HydrophobicContact CE2-CD1 4.19Å; F101-L118 HydrophobicContact CZ-CD1 3.62Å; L118-L120 HydrophobicContact CD1-CD2 4.07Å; L118-L120 HydrophobicContact CD2-CD1 4.29Å; L118-L120 HydrophobicContact CD2-CD2 4.29Å; L118-L120 HydrophobicContact CD2-CG 4.3Å; L118-L120 HydrophobicContact CG-CD2 4.1Å; L118-L120 HydrophobicContact CG-CG 4.15Å; L118-V147 HydrophobicContact CD2-CG1 4.14Å; L118-V147 HydrophobicContact CD2-CG2 4.39Å; L118-V177 CarbonylContact O-C 3.59Å; L118-V177 WeakPolarHBondContact O-CA 3.17Å; L118-F178 HydrophobicContact CB-CB 4.3Å; L118-F178 PolarHBondContact N-O 3.07Å; L118-F178 PolarHBondContact O-N 3.37Å; L118-V180 HydrophobicContact CB-CG1 3.82Å; L118-V180 HydrophobicContact CB-CG2 4.03Å; L118-V180 HydrophobicContact CD2-CG1 4.43Å; L118-L199 HydrophobicContact CD2-CD1 4.17Å; L118-V201 HydrophobicContact CD2-CG2 4.18Å |
| 119 | R | 89.5 | Confident | 84.2 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.2 | 176.2 | -61.6 | 179.2 | 63.1 | -177.2 | -3.1 | 110.3 | V117 W175 K176 V177 Q234 E236 | V117-R119 HydrophobicContact CG1-CG 4.17Å; R119-W175 HydrophobicContact CB-CE3 3.85Å; R119-W175 HydrophobicContact CB-CZ3 4.1Å; R119-K176 WeakPolarHBondContact CA-O 3.37Å; R119-V177 HydrophobicContact CG-CG2 4.46Å; R119-Q234 HydrophobicContact CB-CB 4.29Å; R119-Q234 PolarHBondContact N-O 2.81Å; R119-Q234 PolarHBondContact O-N 2.94Å; R119-E236 WeakPolarHBondContact CD-OE1 3.36Å; R119-E236 WeakPolarHBondContact CD-OE2 3.22Å; R119-E236 IonicContact CZ-OE1 3.35Å; R119-E236 IonicContact NE-OE1 2.73Å; R119-E236 IonicContact NH1-OE1 2.83Å; R119-E236 PolarHBondContact NH1-OE1 3.05Å |
| 120 | L | 88.9 | Confident | 85 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.2 | 177.2 | -56.3 | 178.6 | 0 | 0 | 0 | 109.5 | L99 L118 K176 F178 V201 F221 P233 | L99-L120 HydrophobicContact CD1-CD2 3.88Å; L118-L120 HydrophobicContact CD1-CD2 4.07Å; L118-L120 HydrophobicContact CD2-CD1 4.29Å; L118-L120 HydrophobicContact CD2-CD2 4.29Å; L118-L120 HydrophobicContact CD2-CG 4.3Å; L118-L120 HydrophobicContact CG-CD2 4.1Å; L118-L120 HydrophobicContact CG-CG 4.15Å; L120-K176 PolarHBondContact N-O 3.09Å; L120-K176 PolarHBondContact O-N 2.92Å; L120-F178 HydrophobicContact CB-CE2 4.46Å; L120-F178 HydrophobicContact CD1-CD2 4.12Å; L120-F178 HydrophobicContact CD1-CE2 3.83Å; L120-F178 HydrophobicContact CG-CD2 4.37Å; L120-F178 HydrophobicContact CG-CE2 4.28Å; L120-V201 HydrophobicContact CD1-CG1 3.85Å; L120-V201 HydrophobicContact CD1-CG2 4.08Å; L120-F221 HydrophobicContact CB-CD1 3.54Å; L120-F221 HydrophobicContact CB-CE1 3.79Å; L120-F221 HydrophobicContact CB-CG 4.14Å; L120-F221 HydrophobicContact CD1-CD1 4.46Å; L120-F221 HydrophobicContact CD1-CE1 4.46Å; L120-F221 HydrophobicContact CD1-CG 4.48Å; L120-F221 HydrophobicContact CD1-CZ 4.49Å; L120-P233 HydrophobicContact CD2-CB 3.78Å; L120-P233 HydrophobicContact CD2-CG 4.14Å |
| 121 | F | 88.9 | Confident | 85.6 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 23% | 0.228 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.5 | 178.5 | -174 | -94.1 | 0 | 0 | 0 | 111.1 | W175 F221 A222 G231 | F121-W175 HydrophobicContact CB-CD2 4.17Å; F121-W175 HydrophobicContact CB-CE3 3.86Å; F121-W175 HydrophobicContact CB-CH2 4.07Å; F121-W175 HydrophobicContact CB-CZ2 4.33Å; F121-W175 HydrophobicContact CB-CZ3 3.82Å; F121-W175 AromaticContact CD2-CD2 3.91Å; F121-W175 HydrophobicContact CD2-CD2 3.91Å; F121-W175 AromaticContact CD2-CE2 3.78Å; F121-W175 HydrophobicContact CD2-CE3 4.46Å; F121-W175 HydrophobicContact CD2-CG 4.14Å; F121-W175 HydrophobicContact CD2-CZ2 4.25Å; F121-W175 AromaticContact CD2-NE1 3.89Å; F121-F221 CarbonylContact O-C 3.57Å; F121-F221 VanDerWaalsContact O-CA 3.28Å; F121-F221 WeakPolarHBondContact O-CA 3.35Å; F121-A222 HydrophobicContact CB-CB 4.32Å; F121-A222 HydrophobicContact CD1-CB 4.11Å; F121-A222 PolarHBondContact O-N 2.78Å; F121-G231 VanDerWaalsContact CB-CA 3.47Å |
| 122 | Q | 89.8 | Confident | 86 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.7 | 174.8 | -180 | 177.2 | -19.9 | 0 | 0 | 110.2 | S169 E172 G174 K176 R220 F221 | Q122-S169 PolarHBondContact NE2-O 2.03Å; Q122-E172 PolarHBondContact NE2-O 3.46Å; Q122-G174 PolarHBondContact N-O 2.92Å; Q122-G174 PolarHBondContact O-N 3.17Å; Q122-K176 HydrophobicContact CB-CG 4.14Å; Q122-R220 WeakPolarHBondContact CA-O 3.46Å; Q122-F221 HydrophobicContact CB-CD1 4.26Å; Q122-F221 HydrophobicContact CB-CE1 4.02Å |
| 123 | E | 87.9 | Confident | 86.2 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 145.1 | 178.5 | -63.2 | -177.6 | 151.2 | 0 | 0 | 111.6 | V125 R220 A222 | E123-V125 PolarHBondContact O-N 3.39Å; E123-R220 HydrophobicContact CB-CB 4.44Å; E123-R220 PolarHBondContact N-O 2.92Å; E123-R220 WeakPolarHBondContact OE2-CB 3.33Å; E123-A222 HydrophobicContact CG-CB 4.27Å |
| 124 | P | 88.7 | Confident | 86.4 | Confident | 89 Ų | 89 | 54 Ų | 54 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 130.9 | 176.1 | 28.1 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 125 | V | 88.2 | Confident | 86.6 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 128.5 | 175 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | E123 K127 T129 L130 L218 | E123-V125 PolarHBondContact O-N 3.39Å; V125-K127 PolarHBondContact O-N 2.87Å; V125-T129 VanDerWaalsContact CG1-OG1 3.31Å; V125-T129 WeakPolarHBondContact CG1-OG1 3.5Å; V125-L130 HydrophobicContact CB-CD1 4.22Å; V125-L130 HydrophobicContact CB-CD2 3.89Å; V125-L130 HydrophobicContact CB-CG 3.93Å; V125-L130 HydrophobicContact CG1-CD2 3.76Å; V125-L130 HydrophobicContact CG1-CG 3.75Å; V125-L218 HydrophobicContact CG1-CB 4.31Å; V125-L218 HydrophobicContact CG2-CB 4.32Å; V125-L218 WeakPolarHBondContact CG2-O 3.48Å |
| 126 | P | 91.1 | Very high | 86.6 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 136.9 | 178.3 | -27.7 | 34.6 | 0 | 0 | 0 | 112.9 | A128 T129 L130 | P126-A128 PolarHBondContact O-N 3.25Å; P126-A128 VanDerWaalsContact O-N 3.12Å; P126-T129 PolarHBondContact O-N 3.27Å; P126-T129 PolarHBondContact O-OG1 2.03Å; P126-L130 PolarHBondContact O-N 3.22Å; P126-L130 VanDerWaalsContact O-N 3.12Å |
| 127 | K | 87.3 | Confident | 86.1 | Confident | 168 Ų | 168 | 68 Ų | 68 | 73% | 0.73 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -54.8 | -38.6 | -177.5 | -66.1 | -174.4 | 179.5 | -180 | 0 | 112.8 | V125 T129 L130 H131 | V125-K127 PolarHBondContact O-N 2.87Å; K127-T129 VanDerWaalsContact C-N 3.34Å; K127-T129 PolarHBondContact O-N 2.86Å; K127-L130 PolarHBondContact O-N 2.77Å; K127-H131 PolarHBondContact O-CD2 3.24Å; K127-H131 PolarHBondContact O-N 3.19Å |
| 128 | A | 88.4 | Confident | 85.1 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 61% | 0.612 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.1 | -38.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P126 R132 | P126-A128 PolarHBondContact O-N 3.25Å; P126-A128 VanDerWaalsContact O-N 3.12Å; A128-R132 PolarHBondContact O-N 3.15Å; A128-R132 VanDerWaalsContact O-N 3.12Å |
| 129 | T | 86.4 | Confident | 84.1 | Confident | 54 Ų | 54 | 82.3 Ų | 82.3 | 33% | 0.331 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -75.9 | -36 | 177.7 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | V125 P126 K127 R132 H133 | V125-T129 VanDerWaalsContact CG1-OG1 3.31Å; V125-T129 WeakPolarHBondContact CG1-OG1 3.5Å; P126-T129 PolarHBondContact O-N 3.27Å; P126-T129 PolarHBondContact O-OG1 2.03Å; K127-T129 VanDerWaalsContact C-N 3.34Å; K127-T129 PolarHBondContact O-N 2.86Å; T129-R132 PolarHBondContact O-N 2.98Å; T129-H133 WeakPolarHBondContact O-CB 3.15Å; T129-H133 PolarHBondContact O-N 3.09Å |
| 130 | L | 85.1 | Confident | 83.5 | Confident | 28 Ų | 28 | 80.4 Ų | 80.4 | 15% | 0.147 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 171.1 | -70.7 | 174 | 0 | 0 | 0 | 111.9 | V125 P126 K127 R132 H133 G134 V170 | V125-L130 HydrophobicContact CB-CD1 4.22Å; V125-L130 HydrophobicContact CB-CD2 3.89Å; V125-L130 HydrophobicContact CB-CG 3.93Å; V125-L130 HydrophobicContact CG1-CD2 3.76Å; V125-L130 HydrophobicContact CG1-CG 3.75Å; P126-L130 PolarHBondContact O-N 3.22Å; P126-L130 VanDerWaalsContact O-N 3.12Å; K127-L130 PolarHBondContact O-N 2.77Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.12Å; L130-H133 PolarHBondContact O-N 3.44Å; L130-G134 PolarHBondContact O-N 3.41Å; L130-V170 HydrophobicContact CD2-CB 4.08Å; L130-V170 HydrophobicContact CD2-CG2 3.67Å |
| 131 | H | 85.6 | Confident | 83.3 | Confident | 121 Ų | 121 | 81.2 Ų | 81.2 | 56% | 0.56 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63 | -39.3 | 176.9 | -69.9 | -56.2 | 0 | 0 | 0 | 112.4 | K127 R135 | K127-H131 PolarHBondContact O-CD2 3.24Å; K127-H131 PolarHBondContact O-N 3.19Å; H131-R135 PolarHBondContact O-N 3.16Å |
| 132 | R | 85 | Confident | 83.3 | Confident | 166 Ų | 166 | 84.6 Ų | 84.6 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 174.8 | -173 | -174.6 | -68.3 | -175.7 | -1.9 | 111.2 | A128 T129 L130 R135 L136 | A128-R132 PolarHBondContact O-N 3.15Å; A128-R132 VanDerWaalsContact O-N 3.12Å; T129-R132 PolarHBondContact O-N 2.98Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.12Å; R132-R135 PolarHBondContact O-N 3.13Å; R132-L136 HydrophobicContact CG-CD1 4.01Å; R132-L136 WeakPolarHBondContact O-CG 3.49Å; R132-L136 PolarHBondContact O-N 3.23Å |
| 133 | H | 82.5 | Confident | 83.3 | Confident | 21 Ų | 21 | 84.6 Ų | 84.6 | 10% | 0.097 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 177.3 | 179.9 | -83.4 | 0 | 0 | 0 | 112 | T129 L130 R135 L136 S137 S140 S213 A215 L218 | T129-H133 WeakPolarHBondContact O-CB 3.15Å; T129-H133 PolarHBondContact O-N 3.09Å; L130-H133 PolarHBondContact O-N 3.44Å; H133-R135 PolarHBondContact O-N 2.74Å; H133-L136 PolarHBondContact O-N 3.22Å; H133-S137 PolarHBondContact O-N 3.5Å; H133-S140 PolarHBondContact CE1-O 3.02Å; H133-S213 PolarHBondContact CE1-OG 3.42Å; H133-S213 PolarHBondContact NE2-OG 3.17Å; H133-A215 PolarHBondContact NE2-N 3.45Å; H133-L218 HydrophobicContact CB-CD1 3.77Å |
| 134 | G | 81.3 | Confident | 83.5 | Confident | 37 Ų | 37 | 85.7 Ų | 85.7 | 38% | 0.381 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.5 | -34.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L130 | L130-G134 PolarHBondContact O-N 3.41Å |
| 135 | R | 82.1 | Confident | 83.7 | Confident | 194 Ų | 194 | 81.4 Ų | 81.4 | 73% | 0.732 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -71 | -38.5 | 173.2 | -72.3 | -172.1 | -73.8 | -124.3 | 1.3 | 113.4 | H131 R132 H133 | H131-R135 PolarHBondContact O-N 3.16Å; R132-R135 PolarHBondContact O-N 3.13Å; H133-R135 PolarHBondContact O-N 2.74Å |
| 136 | L | 78.6 | Confident | 84 | Confident | 134 Ų | 134 | 80.9 Ų | 80.9 | 70% | 0.702 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -85.3 | -26 | -175.7 | -68.2 | 170.9 | 0 | 0 | 0 | 113.5 | R132 H133 | R132-L136 HydrophobicContact CG-CD1 4.01Å; R132-L136 WeakPolarHBondContact O-CG 3.49Å; R132-L136 PolarHBondContact O-N 3.23Å; H133-L136 PolarHBondContact O-N 3.22Å |
| 137 | S | 72.9 | Confident | 84.1 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | trans | -150.2 | 71.4 | -172.9 | -67.5 | 0 | 0 | 0 | 0 | 110.3 | H133 R139 | H133-S137 PolarHBondContact O-N 3.5Å; S137-R139 PolarHBondContact O-N 3.4Å | ||
| 138 | P | 68.4 | Low | 84.2 | Confident | 106 Ų | 106 | 70.7 Ų | 70.7 | 69% | 0.688 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.5 | -177.3 | 28.1 | -35 | 0 | 0 | 0 | 113.4 | ||
| 139 | R | 70.3 | Confident | 84.3 | Confident | 205 Ų | 205 | 67.5 Ų | 67.5 | 77% | 0.774 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -31.1 | -169.1 | -70.2 | -176.4 | 176.3 | 151 | -1.3 | 114.4 | S137 L211 | S137-R139 PolarHBondContact O-N 3.4Å; R139-L211 VanDerWaalsContact NH1-CD2 3.25Å |
| 140 | S | 76.4 | Confident | 84.3 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | trans | -155 | 142.8 | 172.5 | 92.4 | 0 | 0 | 0 | 0 | 112.7 | H133 E206 S213 | H133-S140 PolarHBondContact CE1-O 3.02Å; S140-E206 WeakPolarHBondContact CB-OE2 3.37Å; S140-E206 PolarHBondContact OG-OE2 2.83Å; S140-S213 VanDerWaalsContact O-CB 3.23Å; S140-S213 WeakPolarHBondContact O-CB 3.14Å; S140-S213 PolarHBondContact O-OG 3.09Å; S140-S213 WeakPolarHBondContact OG-CB 3.32Å | ||
| 141 | A | 84.2 | Confident | 84.1 | Confident | 22 Ų | 22 | 67 Ų | 67 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -121.9 | 26 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | V170 H171 | A141-V170 HydrophobicContact CB-CG2 3.91Å; A141-V170 WeakPolarHBondContact O-CG2 3.11Å; A141-V170 PolarHBondContact O-N 2.92Å; A141-H171 WeakPolarHBondContact CB-CE1 3.3Å | ||
| 142 | R | 89.3 | Confident | 83.8 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.9 | -177 | -62.2 | -173.3 | -66.7 | -160.5 | -0.4 | 110.3 | V168 E206 | R142-V168 CarbonylContact C-O 3.47Å; R142-V168 WeakPolarHBondContact CA-O 3.39Å; R142-E206 IonicContact CZ-OE1 3.52Å; R142-E206 VanDerWaalsContact CZ-OE1 3.26Å; R142-E206 IonicContact NE-OE1 2.77Å; R142-E206 PolarHBondContact NE-OE1 3.39Å; R142-E206 IonicContact NH2-OE1 2.78Å; R142-E206 PolarHBondContact NH2-OE1 3.2Å |
| 143 | A | 90.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L167 V168 V203 H216 V219 | A143-L167 CarbonylContact O-C 3.58Å; A143-L167 WeakPolarHBondContact O-CA 3.1Å; A143-V168 HydrophobicContact CB-CG2 4.34Å; A143-V168 PolarHBondContact N-O 2.88Å; A143-V168 PolarHBondContact O-N 2.85Å; A143-V203 HydrophobicContact CB-CG1 3.94Å; A143-H216 HydrophobicContact CB-CB 4.02Å; A143-V219 HydrophobicContact CB-CB 4.49Å; A143-V219 HydrophobicContact CB-CG2 3.74Å |
| 144 | R | 92.6 | Very high | 82.5 | Confident | 91 Ų | 91 | 68 Ų | 68 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.9 | 173.3 | -177 | -179.1 | -67.8 | -98.7 | 0.5 | 108.5 | T146 S165 R166 L167 V203 Q204 | R144-T146 HydrophobicContact CG-CG2 3.97Å; R144-S165 PolarHBondContact NH1-OG 3.43Å; R144-R166 CarbonylContact C-O 3.53Å; R144-R166 WeakPolarHBondContact CA-O 3.28Å; R144-L167 HydrophobicContact CB-CD2 3.87Å; R144-L167 HydrophobicContact CG-CD2 4.38Å; R144-V203 CarbonylContact O-C 3.53Å; R144-Q204 HydrophobicContact CB-CB 4.49Å; R144-Q204 PolarHBondContact N-O 3.03Å; R144-Q204 PolarHBondContact O-N 3.42Å |
| 145 | V | 93 | Very high | 81.9 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.8 | 172.9 | -178 | 0 | 0 | 0 | 0 | 107.3 | S165 R166 V168 F178 V201 S202 V203 F221 | V145-S165 CarbonylContact O-C 3.55Å; V145-S165 WeakPolarHBondContact O-CA 3.32Å; V145-R166 PolarHBondContact N-O 2.03Å; V145-R166 PolarHBondContact O-N 2.95Å; V145-V168 HydrophobicContact CG2-CB 4.49Å; V145-V168 HydrophobicContact CG2-CG1 4.09Å; V145-V168 HydrophobicContact CG2-CG2 3.56Å; V145-F178 HydrophobicContact CB-CE1 3.99Å; V145-F178 HydrophobicContact CB-CZ 3.86Å; V145-F178 HydrophobicContact CG1-CE1 3.79Å; V145-F178 HydrophobicContact CG1-CE2 4.36Å; V145-F178 HydrophobicContact CG1-CZ 3.49Å; V145-F178 VanDerWaalsContact CG1-CZ 3.49Å; V145-V201 HydrophobicContact CG1-CG1 3.73Å; V145-S202 WeakPolarHBondContact CA-O 3.29Å; V145-V203 HydrophobicContact CG2-CG1 4.49Å; V145-V203 HydrophobicContact CG2-CG2 4.4Å; V145-F221 HydrophobicContact CG1-CE2 4.09Å; V145-F221 HydrophobicContact CG1-CZ 4.23Å; V145-F221 HydrophobicContact CG2-CE2 4.04Å; V145-F221 HydrophobicContact CG2-CZ 3.96Å |
| 146 | T | 92.8 | Very high | 81.3 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.3 | 176.9 | 64 | 0 | 0 | 0 | 0 | 109.8 | R144 L162 D164 V201 S202 | R144-T146 HydrophobicContact CG-CG2 3.97Å; T146-L162 HydrophobicContact CG2-CD1 4.49Å; T146-D164 WeakPolarHBondContact CA-O 3.04Å; T146-V201 CarbonylContact O-C 3.56Å; T146-V201 WeakPolarHBondContact O-CA 3.31Å; T146-S202 PolarHBondContact N-O 2.63Å; T146-S202 PolarHBondContact O-N 3.12Å; T146-S202 PolarHBondContact OG1-OG 3.17Å |
| 147 | V | 93.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.6 | 173.8 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | L118 I163 D164 F178 V180 V201 | L118-V147 HydrophobicContact CD2-CG1 4.14Å; L118-V147 HydrophobicContact CD2-CG2 4.39Å; V147-I163 WeakPolarHBondContact O-CB 3.26Å; V147-I163 PolarHBondContact O-N 3.35Å; V147-D164 PolarHBondContact N-O 2.96Å; V147-D164 PolarHBondContact O-N 2.03Å; V147-F178 HydrophobicContact CG2-CB 4Å; V147-F178 HydrophobicContact CG2-CD1 3.7Å; V147-F178 HydrophobicContact CG2-CD2 4.42Å; V147-F178 HydrophobicContact CG2-CE1 4.28Å; V147-F178 HydrophobicContact CG2-CG 3.78Å; V147-V180 HydrophobicContact CG1-CG1 3.95Å; V147-V201 HydrophobicContact CG2-CG2 4.38Å |
| 148 | E | 90.9 | Very high | 81.5 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138 | -179.5 | -58.4 | 177.7 | 110.6 | 0 | 0 | 109.7 | S161 L162 L199 Q200 | E148-S161 CarbonylContact C-O 3.57Å; E148-S161 VanDerWaalsContact CA-O 3.23Å; E148-S161 WeakPolarHBondContact CA-O 3.47Å; E148-L162 HydrophobicContact CG-CD1 4.24Å; E148-L199 CarbonylContact O-C 3.57Å; E148-L199 WeakPolarHBondContact O-CA 3.24Å; E148-Q200 HydrophobicContact CB-CB 4.41Å; E148-Q200 PolarHBondContact N-O 3.27Å; E148-Q200 PolarHBondContact O-N 3Å; E148-Q200 PolarHBondContact OE2-NE2 2.96Å |
| 149 | W | 89.2 | Confident | 82.2 | Confident | 8 Ų | 8 | 65 Ų | 65 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.1 | 170 | 177.5 | 43.1 | 0 | 0 | 0 | 109.7 | T160 S161 I163 A183 F186 W187 L190 L198 L199 | W149-T160 CarbonylContact O-C 3.58Å; W149-T160 VanDerWaalsContact O-CA 3.3Å; W149-T160 WeakPolarHBondContact O-CA 3.08Å; W149-S161 PolarHBondContact N-O 3.02Å; W149-S161 PolarHBondContact O-N 3.01Å; W149-I163 HydrophobicContact CB-CD1 3.82Å; W149-I163 HydrophobicContact CB-CG1 3.81Å; W149-A183 HydrophobicContact CB-CB 4.03Å; W149-A183 HydrophobicContact CG-CB 4.21Å; W149-F186 HydrophobicContact CE3-CB 4.03Å; W149-F186 HydrophobicContact CH2-CB 3.66Å; W149-F186 HydrophobicContact CZ3-CB 3.35Å; W149-F186 HydrophobicContact CZ3-CD2 4.48Å; W149-F186 HydrophobicContact CZ3-CG 4.11Å; W149-W187 HydrophobicContact CZ2-CB 4.22Å; W149-L190 HydrophobicContact CH2-CD1 3.91Å; W149-L190 HydrophobicContact CZ3-CD1 4.33Å; W149-L198 VanDerWaalsContact CD1-O 3.3Å; W149-L199 HydrophobicContact CB-CD2 4.35Å |
| 150 | L | 87.1 | Confident | 82.9 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.9 | 179.9 | -177 | 70.5 | 0 | 0 | 0 | 110.2 | L98 N158 T160 L198 | L98-L150 HydrophobicContact CD1-CD2 3.71Å; L150-N158 HydrophobicContact CD1-CB 3.98Å; L150-T160 HydrophobicContact CD1-CG2 3.59Å; L150-L198 HydrophobicContact CB-CB 4Å; L150-L198 HydrophobicContact CD2-CD1 4.4Å; L150-L198 PolarHBondContact N-O 3.31Å |
| 151 | R | 81.3 | Confident | 83.4 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.6 | 175 | -164.4 | -174.9 | -44.9 | 119.7 | 18.6 | 110.1 | N158 R159 | R151-N158 WeakPolarHBondContact O-CA 3.24Å; R151-R159 PolarHBondContact N-O 2.85Å; R151-R159 PolarHBondContact O-N 3.33Å |
| 152 | V | 77.4 | Confident | 83.6 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.1 | 171 | -172.4 | 0 | 0 | 0 | 0 | 107.3 | L198 | V152-L198 HydrophobicContact CG2-CD1 3.86Å |
| 153 | R | 73.2 | Confident | 83.7 | Confident | 117 Ų | 117 | 58.5 Ų | 58.5 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | trans | -83.2 | 161.4 | 175.9 | -77.8 | 178.6 | 167.3 | -173.5 | -3.1 | 110.8 | D155 G156 S157 | R153-D155 WeakPolarHBondContact CB-OD1 3.37Å; R153-D155 PolarHBondContact O-N 2.85Å; R153-D155 VanDerWaalsContact O-N 3.12Å; R153-G156 PolarHBondContact O-N 3.38Å; R153-S157 WeakPolarHBondContact CD-OG 3.39Å; R153-S157 PolarHBondContact N-O 2.88Å | ||
| 154 | D | 68.5 | Low | 83.7 | Confident | 131 Ų | 131 | 59.8 Ų | 59.8 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -19.8 | 178.5 | -69.8 | -23.9 | 0 | 0 | 0 | 112.3 | G156 R192 | D154-G156 VanDerWaalsContact C-N 3.32Å; D154-R192 IonicContact OD2-CZ 3.78Å; D154-R192 IonicContact OD2-NH1 2.9Å; D154-R192 IonicContact OD2-NH2 3.66Å; D154-R192 PolarHBondContact OD2-NH2 2.67Å |
| 155 | D | 69.1 | Low | 83.6 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 60% | 0.599 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 0.6 | 174.8 | 63.6 | 3.8 | 0 | 0 | 0 | 113.9 | R153 S157 | R153-D155 WeakPolarHBondContact CB-OD1 3.37Å; R153-D155 PolarHBondContact O-N 2.85Å; R153-D155 VanDerWaalsContact O-N 3.12Å; D155-S157 VanDerWaalsContact C-N 3.25Å; D155-S157 VanDerWaalsContact CG-OG 3.23Å; D155-S157 PolarHBondContact O-N 3.4Å; D155-S157 VanDerWaalsContact OD1-CB 3.28Å; D155-S157 WeakPolarHBondContact OD1-CB 3.5Å; D155-S157 PolarHBondContact OD1-N 3.06Å; D155-S157 PolarHBondContact OD1-OG 3.13Å; D155-S157 PolarHBondContact OD2-OG 2.88Å; D155-S157 VanDerWaalsContact OD2-OG 3.13Å |
| 156 | G | 68 | Low | 83.5 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 57% | 0.567 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 78.1 | 2.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R153 D154 | R153-G156 PolarHBondContact O-N 3.38Å; D154-G156 VanDerWaalsContact C-N 3.32Å |
| 157 | S | 75.6 | Confident | 83.4 | Confident | 46 Ų | 46 | 65.4 Ų | 65.4 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | trans | -79.2 | 138.1 | 175 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | R153 D155 | R153-S157 WeakPolarHBondContact CD-OG 3.39Å; R153-S157 PolarHBondContact N-O 2.88Å; D155-S157 VanDerWaalsContact C-N 3.25Å; D155-S157 VanDerWaalsContact CG-OG 3.23Å; D155-S157 PolarHBondContact O-N 3.4Å; D155-S157 VanDerWaalsContact OD1-CB 3.28Å; D155-S157 WeakPolarHBondContact OD1-CB 3.5Å; D155-S157 PolarHBondContact OD1-N 3.06Å; D155-S157 PolarHBondContact OD1-OG 3.13Å; D155-S157 PolarHBondContact OD2-OG 2.88Å; D155-S157 VanDerWaalsContact OD2-OG 3.13Å | ||
| 158 | N | 81.7 | Confident | 83.3 | Confident | 107 Ų | 107 | 65.8 Ų | 65.8 | 57% | 0.572 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.5 | 177.8 | -71.8 | -15.2 | 0 | 0 | 0 | 109.8 | L150 R151 | L150-N158 HydrophobicContact CD1-CB 3.98Å; R151-N158 WeakPolarHBondContact O-CA 3.24Å |
| 159 | R | 82.6 | Confident | 83.3 | Confident | 126 Ų | 126 | 65.2 Ų | 65.2 | 48% | 0.475 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.6 | 170.9 | -177.1 | 168.2 | 167.5 | -172.9 | -2 | 109.5 | R151 | R151-R159 PolarHBondContact N-O 2.85Å; R151-R159 PolarHBondContact O-N 3.33Å |
| 160 | T | 84.5 | Confident | 83.3 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 153.5 | 172.4 | 53 | 0 | 0 | 0 | 0 | 110.9 | W149 L150 | W149-T160 CarbonylContact O-C 3.58Å; W149-T160 VanDerWaalsContact O-CA 3.3Å; W149-T160 WeakPolarHBondContact O-CA 3.08Å; L150-T160 HydrophobicContact CD1-CG2 3.59Å |
| 161 | S | 86.3 | Confident | 83.3 | Confident | 34 Ų | 34 | 70 Ų | 70 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 123.7 | 173.2 | -60.8 | 0 | 0 | 0 | 0 | 108.1 | E148 W149 I163 | E148-S161 CarbonylContact C-O 3.57Å; E148-S161 VanDerWaalsContact CA-O 3.23Å; E148-S161 WeakPolarHBondContact CA-O 3.47Å; W149-S161 PolarHBondContact N-O 3.02Å; W149-S161 PolarHBondContact O-N 3.01Å; S161-I163 WeakPolarHBondContact O-CG1 3.46Å; S161-I163 PolarHBondContact O-N 3.47Å |
| 162 | L | 89 | Confident | 83.5 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 58% | 0.581 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 129.9 | 179.2 | -179.5 | 67.8 | 0 | 0 | 0 | 109.8 | T146 E148 | T146-L162 HydrophobicContact CG2-CD1 4.49Å; E148-L162 HydrophobicContact CG-CD1 4.24Å |
| 163 | I | 90.4 | Very high | 84 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 15% | 0.154 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -52.7 | -177.7 | -55.5 | -61.7 | 0 | 0 | 0 | 110.5 | V147 W149 S161 D179 V180 A183 | V147-I163 WeakPolarHBondContact O-CB 3.26Å; V147-I163 PolarHBondContact O-N 3.35Å; W149-I163 HydrophobicContact CB-CD1 3.82Å; W149-I163 HydrophobicContact CB-CG1 3.81Å; S161-I163 WeakPolarHBondContact O-CG1 3.46Å; S161-I163 PolarHBondContact O-N 3.47Å; I163-D179 WeakPolarHBondContact CG2-O 3.45Å; I163-V180 HydrophobicContact CG2-CB 4.42Å; I163-V180 HydrophobicContact CG2-CG1 4.35Å; I163-A183 HydrophobicContact CD1-CB 3.84Å; I163-A183 HydrophobicContact CG1-CB 3.93Å; I163-A183 HydrophobicContact CG2-CB 4.25Å |
| 164 | D | 90.6 | Very high | 84.7 | Confident | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.15 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 151.6 | 178.8 | -164.7 | -1.4 | 0 | 0 | 0 | 110.3 | T146 V147 R166 D179 | T146-D164 WeakPolarHBondContact CA-O 3.04Å; V147-D164 PolarHBondContact N-O 2.96Å; V147-D164 PolarHBondContact O-N 2.03Å; D164-R166 IonicContact OD1-NE 3.75Å; D164-R166 IonicContact OD2-CZ 2.68Å; D164-R166 VanDerWaalsContact OD2-CZ 3.29Å; D164-R166 IonicContact OD2-NE 3.29Å; D164-R166 PolarHBondContact OD2-NE 3.11Å; D164-R166 IonicContact OD2-NH2 3.6Å; D164-R166 PolarHBondContact OD2-NH2 2.93Å; D164-R166 VanDerWaalsContact OD2-NH2 3.1Å; D164-D179 PolarHBondContact OD2-N 3.36Å; D164-D179 VanDerWaalsContact OD2-N 3.11Å |
| 165 | S | 91.6 | Very high | 85.7 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 115.1 | 177.6 | 160.4 | 0 | 0 | 0 | 0 | 110.1 | R144 V145 | R144-S165 PolarHBondContact NH1-OG 3.43Å; V145-S165 CarbonylContact O-C 3.55Å; V145-S165 WeakPolarHBondContact O-CA 3.32Å |
| 166 | R | 90.1 | Very high | 86.6 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.2 | -177.7 | -58.2 | -174.8 | -177.5 | -158.3 | -7.6 | 112.5 | R144 V145 D164 V177 F178 | R144-R166 CarbonylContact C-O 3.53Å; R144-R166 WeakPolarHBondContact CA-O 3.28Å; V145-R166 PolarHBondContact N-O 2.03Å; V145-R166 PolarHBondContact O-N 2.95Å; D164-R166 IonicContact OD1-NE 3.75Å; D164-R166 IonicContact OD2-CZ 2.68Å; D164-R166 VanDerWaalsContact OD2-CZ 3.29Å; D164-R166 IonicContact OD2-NE 3.29Å; D164-R166 PolarHBondContact OD2-NE 3.11Å; D164-R166 IonicContact OD2-NH2 3.6Å; D164-R166 PolarHBondContact OD2-NH2 2.93Å; D164-R166 VanDerWaalsContact OD2-NH2 3.1Å; R166-V177 VanDerWaalsContact CZ-O 3.25Å; R166-V177 PolarHBondContact NH1-O 3.11Å; R166-F178 HydrophobicContact CB-CE1 3.98Å; R166-F178 HydrophobicContact CG-CD1 4.16Å; R166-F178 HydrophobicContact CG-CE1 4.09Å |
| 167 | L | 90.6 | Very high | 87.7 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.6 | 169.8 | -66.9 | 178.3 | 0 | 0 | 0 | 109.7 | A143 R144 E206 | A143-L167 CarbonylContact O-C 3.58Å; A143-L167 WeakPolarHBondContact O-CA 3.1Å; R144-L167 HydrophobicContact CB-CD2 3.87Å; R144-L167 HydrophobicContact CG-CD2 4.38Å; L167-E206 HydrophobicContact CD1-CG 4.31Å; L167-E206 HydrophobicContact CD2-CB 4.4Å; L167-E206 HydrophobicContact CD2-CG 3.87Å |
| 168 | V | 91.9 | Very high | 88.3 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.9 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | R142 A143 V145 K176 V219 | R142-V168 CarbonylContact C-O 3.47Å; R142-V168 WeakPolarHBondContact CA-O 3.39Å; A143-V168 HydrophobicContact CB-CG2 4.34Å; A143-V168 PolarHBondContact N-O 2.88Å; A143-V168 PolarHBondContact O-N 2.85Å; V145-V168 HydrophobicContact CG2-CB 4.49Å; V145-V168 HydrophobicContact CG2-CG1 4.09Å; V145-V168 HydrophobicContact CG2-CG2 3.56Å; V168-K176 HydrophobicContact CG1-CD 4.39Å; V168-K176 HydrophobicContact CG1-CG 4.37Å; V168-V219 HydrophobicContact CG2-CG1 4.02Å; V168-V219 HydrophobicContact CG2-CG2 4.11Å |
| 169 | S | 89.9 | Confident | 88.5 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 140.4 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | Q122 H171 E172 | Q122-S169 PolarHBondContact NE2-O 2.03Å; S169-H171 PolarHBondContact O-N 2.69Å; S169-H171 PolarHBondContact OG-N 3.22Å; S169-H171 PolarHBondContact OG-ND1 3.45Å; S169-E172 PolarHBondContact O-N 3.41Å |
| 170 | V | 89.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -15.8 | 172.9 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | L130 A141 E172 A215 L218 V219 | L130-V170 HydrophobicContact CD2-CB 4.08Å; L130-V170 HydrophobicContact CD2-CG2 3.67Å; A141-V170 HydrophobicContact CB-CG2 3.91Å; A141-V170 WeakPolarHBondContact O-CG2 3.11Å; A141-V170 PolarHBondContact O-N 2.92Å; V170-E172 VanDerWaalsContact C-N 3.34Å; V170-A215 HydrophobicContact CG1-CB 3.84Å; V170-A215 WeakPolarHBondContact CG1-O 2.96Å; V170-L218 HydrophobicContact CB-CB 4.49Å; V170-L218 HydrophobicContact CG1-CB 3.98Å; V170-V219 HydrophobicContact CG1-CG2 3.72Å |
| 171 | H | 87.4 | Confident | 88.9 | Confident | 123 Ų | 123 | 47.7 Ų | 47.7 | 57% | 0.569 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -16.6 | -179.3 | -60.8 | 95 | 0 | 0 | 0 | 112.9 | A141 S169 | A141-H171 WeakPolarHBondContact CB-CE1 3.3Å; S169-H171 PolarHBondContact O-N 2.69Å; S169-H171 PolarHBondContact OG-N 3.22Å; S169-H171 PolarHBondContact OG-ND1 3.45Å |
| 172 | E | 86.8 | Confident | 88.8 | Confident | 104 Ų | 104 | 50.7 Ų | 50.7 | 49% | 0.486 | 26% | 0.261 | S | S | . | . | trans | -97.1 | 153 | 179.1 | -66.2 | 171.5 | -165.9 | 0 | 0 | 109.9 | Q122 S169 V170 K176 | Q122-E172 PolarHBondContact NE2-O 3.46Å; S169-E172 PolarHBondContact O-N 3.41Å; V170-E172 VanDerWaalsContact C-N 3.34Å; E172-K176 IonicContact OE2-NZ 3.1Å; E172-K176 PolarHBondContact OE2-NZ 2.83Å | ||
| 173 | S | 87.9 | Confident | 88.7 | Confident | 70 Ų | 70 | 45.4 Ų | 45.4 | 49% | 0.49 | 23% | 0.233 | S | C | . | . | trans | -137.3 | 163.8 | 170.2 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 174 | G | 88.1 | Confident | 88.4 | Confident | 16 Ų | 16 | 44 Ų | 44 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.3 | -168.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q122 K176 | Q122-G174 PolarHBondContact N-O 2.92Å; Q122-G174 PolarHBondContact O-N 3.17Å; G174-K176 PolarHBondContact O-N 3.38Å |
| 175 | W | 88.4 | Confident | 88 | Confident | 87 Ų | 87 | 45.2 Ų | 45.2 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123.2 | -175.4 | -67.6 | 105 | 0 | 0 | 0 | 112.1 | R119 F121 | R119-W175 HydrophobicContact CB-CE3 3.85Å; R119-W175 HydrophobicContact CB-CZ3 4.1Å; F121-W175 HydrophobicContact CB-CD2 4.17Å; F121-W175 HydrophobicContact CB-CE3 3.86Å; F121-W175 HydrophobicContact CB-CH2 4.07Å; F121-W175 HydrophobicContact CB-CZ2 4.33Å; F121-W175 HydrophobicContact CB-CZ3 3.82Å; F121-W175 AromaticContact CD2-CD2 3.91Å; F121-W175 HydrophobicContact CD2-CD2 3.91Å; F121-W175 AromaticContact CD2-CE2 3.78Å; F121-W175 HydrophobicContact CD2-CE3 4.46Å; F121-W175 HydrophobicContact CD2-CG 4.14Å; F121-W175 HydrophobicContact CD2-CZ2 4.25Å; F121-W175 AromaticContact CD2-NE1 3.89Å |
| 176 | K | 89.1 | Confident | 87.4 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.6 | 168.6 | -57.4 | -53.9 | -175.2 | -176.1 | 0 | 108.4 | R119 L120 Q122 V168 E172 G174 F178 F221 | R119-K176 WeakPolarHBondContact CA-O 3.37Å; L120-K176 PolarHBondContact N-O 3.09Å; L120-K176 PolarHBondContact O-N 2.92Å; Q122-K176 HydrophobicContact CB-CG 4.14Å; V168-K176 HydrophobicContact CG1-CD 4.39Å; V168-K176 HydrophobicContact CG1-CG 4.37Å; E172-K176 IonicContact OE2-NZ 3.1Å; E172-K176 PolarHBondContact OE2-NZ 2.83Å; G174-K176 PolarHBondContact O-N 3.38Å; K176-F178 HydrophobicContact CB-CE2 3.85Å; K176-F178 HydrophobicContact CB-CZ 4.31Å; K176-F221 HydrophobicContact CB-CE1 4.27Å; K176-F221 HydrophobicContact CG-CE1 4.15Å |
| 177 | V | 89.6 | Confident | 87.1 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 39% | 0.394 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.1 | -170.9 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | V117 L118 R119 R166 | V117-V177 HydrophobicContact CG1-CB 4.49Å; V117-V177 HydrophobicContact CG1-CG1 3.14Å; L118-V177 CarbonylContact O-C 3.59Å; L118-V177 WeakPolarHBondContact O-CA 3.17Å; R119-V177 HydrophobicContact CG-CG2 4.46Å; R166-V177 VanDerWaalsContact CZ-O 3.25Å; R166-V177 PolarHBondContact NH1-O 3.11Å |
| 178 | F | 90 | Very high | 86.6 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.8 | 179.2 | -60.6 | -90.6 | 0 | 0 | 0 | 109.4 | L118 L120 V145 V147 R166 K176 | L118-F178 HydrophobicContact CB-CB 4.3Å; L118-F178 PolarHBondContact N-O 3.07Å; L118-F178 PolarHBondContact O-N 3.37Å; L120-F178 HydrophobicContact CB-CE2 4.46Å; L120-F178 HydrophobicContact CD1-CD2 4.12Å; L120-F178 HydrophobicContact CD1-CE2 3.83Å; L120-F178 HydrophobicContact CG-CD2 4.37Å; L120-F178 HydrophobicContact CG-CE2 4.28Å; V145-F178 HydrophobicContact CB-CE1 3.99Å; V145-F178 HydrophobicContact CB-CZ 3.86Å; V145-F178 HydrophobicContact CG1-CE1 3.79Å; V145-F178 HydrophobicContact CG1-CE2 4.36Å; V145-F178 HydrophobicContact CG1-CZ 3.49Å; V145-F178 VanDerWaalsContact CG1-CZ 3.49Å; V147-F178 HydrophobicContact CG2-CB 4Å; V147-F178 HydrophobicContact CG2-CD1 3.7Å; V147-F178 HydrophobicContact CG2-CD2 4.42Å; V147-F178 HydrophobicContact CG2-CE1 4.28Å; V147-F178 HydrophobicContact CG2-CG 3.78Å; R166-F178 HydrophobicContact CB-CE1 3.98Å; R166-F178 HydrophobicContact CG-CD1 4.16Å; R166-F178 HydrophobicContact CG-CE1 4.09Å; K176-F178 HydrophobicContact CB-CE2 3.85Å; K176-F178 HydrophobicContact CB-CZ 4.31Å |
| 179 | D | 85.5 | Confident | 85.8 | Confident | 30 Ų | 30 | 50 Ų | 50 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.5 | 175.7 | -172.8 | -9.8 | 0 | 0 | 0 | 109.1 | I163 D164 T181 F306 | I163-D179 WeakPolarHBondContact CG2-O 3.45Å; D164-D179 PolarHBondContact OD2-N 3.36Å; D164-D179 VanDerWaalsContact OD2-N 3.11Å; D179-T181 WeakPolarHBondContact OD1-CB 3.37Å; D179-T181 PolarHBondContact OD1-N 2.86Å; D179-T181 PolarHBondContact OD1-OG1 2.87Å; D179-F306 WeakPolarHBondContact OD2-CE2 3.3Å; D179-F306 WeakPolarHBondContact OD2-CZ 2.96Å |
| 180 | V | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -125.2 | 19 | 179 | -62 | 0 | 0 | 0 | 0 | 112 | A116 L118 V147 I163 E182 A183 V184 L199 L235 | A116-V180 HydrophobicContact CB-CG2 3.99Å; A116-V180 WeakPolarHBondContact O-CG2 3.35Å; A116-V180 PolarHBondContact O-N 3.37Å; L118-V180 HydrophobicContact CB-CG1 3.82Å; L118-V180 HydrophobicContact CB-CG2 4.03Å; L118-V180 HydrophobicContact CD2-CG1 4.43Å; V147-V180 HydrophobicContact CG1-CG1 3.95Å; I163-V180 HydrophobicContact CG2-CB 4.42Å; I163-V180 HydrophobicContact CG2-CG1 4.35Å; V180-E182 VanDerWaalsContact C-N 3.32Å; V180-E182 PolarHBondContact O-N 2.92Å; V180-A183 HydrophobicContact CB-CB 4.41Å; V180-A183 WeakPolarHBondContact O-CB 3.22Å; V180-A183 PolarHBondContact O-N 3.38Å; V180-A183 VanDerWaalsContact O-N 3.08Å; V180-V184 PolarHBondContact O-N 3Å; V180-V184 VanDerWaalsContact O-N 3.12Å; V180-L199 HydrophobicContact CB-CD1 4.35Å; V180-L199 HydrophobicContact CG1-CD1 4.07Å; V180-L199 HydrophobicContact CG2-CD1 4.46Å; V180-L235 HydrophobicContact CG2-CD1 3.53Å | ||
| 181 | T | 84.6 | Confident | 83.8 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.7 | -46.3 | -178.2 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | L113 Q115 A116 D179 A183 V184 N185 | L113-T181 HydrophobicContact CD2-CG2 4.47Å; Q115-T181 WeakPolarHBondContact CA-OG1 3.49Å; A116-T181 PolarHBondContact N-OG1 2.68Å; A116-T181 PolarHBondContact O-N 3.22Å; A116-T181 PolarHBondContact O-OG1 2.8Å; D179-T181 WeakPolarHBondContact OD1-CB 3.37Å; D179-T181 PolarHBondContact OD1-N 2.86Å; D179-T181 PolarHBondContact OD1-OG1 2.87Å; T181-A183 VanDerWaalsContact C-N 3.35Å; T181-A183 PolarHBondContact O-N 3.01Å; T181-V184 PolarHBondContact O-N 3.41Å; T181-N185 WeakPolarHBondContact O-CB 3.03Å; T181-N185 PolarHBondContact O-N 3Å |
| 182 | E | 84.3 | Confident | 82.7 | Confident | 98 Ų | 98 | 56 Ų | 56 | 46% | 0.458 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 177.2 | -67.8 | -170.1 | 174.5 | 0 | 0 | 112.2 | V180 V184 N185 F186 | V180-E182 VanDerWaalsContact C-N 3.32Å; V180-E182 PolarHBondContact O-N 2.92Å; E182-V184 VanDerWaalsContact C-N 3.32Å; E182-V184 PolarHBondContact O-N 2.89Å; E182-N185 PolarHBondContact O-N 2.87Å; E182-F186 HydrophobicContact CB-CD2 4.27Å; E182-F186 HydrophobicContact CB-CE2 4.03Å; E182-F186 WeakPolarHBondContact O-CD2 3.46Å; E182-F186 WeakPolarHBondContact O-CG 3.03Å; E182-F186 PolarHBondContact O-N 3.11Å |
| 183 | A | 87.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W149 I163 V180 T181 W187 L199 | W149-A183 HydrophobicContact CB-CB 4.03Å; W149-A183 HydrophobicContact CG-CB 4.21Å; I163-A183 HydrophobicContact CD1-CB 3.84Å; I163-A183 HydrophobicContact CG1-CB 3.93Å; I163-A183 HydrophobicContact CG2-CB 4.25Å; V180-A183 HydrophobicContact CB-CB 4.41Å; V180-A183 WeakPolarHBondContact O-CB 3.22Å; V180-A183 PolarHBondContact O-N 3.38Å; V180-A183 VanDerWaalsContact O-N 3.08Å; T181-A183 VanDerWaalsContact C-N 3.35Å; T181-A183 PolarHBondContact O-N 3.01Å; A183-W187 WeakPolarHBondContact O-CB 3.3Å; A183-W187 PolarHBondContact O-N 2.86Å; A183-L199 HydrophobicContact CB-CD2 4Å |
| 184 | V | 84.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70 | -40.7 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | M103 L107 L113 A116 V180 T181 E182 W187 Q188 L197 L237 | M103-V184 HydrophobicContact CE-CG1 4.03Å; L107-V184 HydrophobicContact CD1-CG1 4Å; L113-V184 HydrophobicContact CD2-CB 3.63Å; L113-V184 HydrophobicContact CD2-CG1 3.44Å; L113-V184 VanDerWaalsContact CD2-CG1 3.44Å; A116-V184 HydrophobicContact CB-CB 4.07Å; A116-V184 HydrophobicContact CB-CG2 3.5Å; A116-V184 VanDerWaalsContact CB-CG2 3.5Å; V180-V184 PolarHBondContact O-N 3Å; V180-V184 VanDerWaalsContact O-N 3.12Å; T181-V184 PolarHBondContact O-N 3.41Å; E182-V184 VanDerWaalsContact C-N 3.32Å; E182-V184 PolarHBondContact O-N 2.89Å; V184-W187 PolarHBondContact O-N 3.48Å; V184-Q188 WeakPolarHBondContact O-CB 3.44Å; V184-Q188 PolarHBondContact O-N 3.49Å; V184-L197 HydrophobicContact CG2-CD2 3.88Å; V184-L237 HydrophobicContact CG1-CD2 4.32Å; V184-L237 HydrophobicContact CG2-CD2 4.23Å |
| 185 | N | 80.6 | Confident | 79.7 | Confident | 54 Ų | 54 | 66 Ų | 66 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 174.8 | -83.1 | -24.9 | 0 | 0 | 0 | 112 | T181 E182 W187 Q188 Q189 | T181-N185 WeakPolarHBondContact O-CB 3.03Å; T181-N185 PolarHBondContact O-N 3Å; E182-N185 PolarHBondContact O-N 2.87Å; N185-W187 VanDerWaalsContact C-N 3.34Å; N185-W187 PolarHBondContact O-N 3.24Å; N185-Q188 PolarHBondContact O-N 3.13Å; N185-Q189 WeakPolarHBondContact O-CG 3.37Å; N185-Q189 PolarHBondContact O-N 2.95Å; N185-Q189 VanDerWaalsContact O-N 3.13Å |
| 186 | F | 79.8 | Confident | 79.6 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.6 | -70.4 | -57 | 0 | 0 | 0 | 112 | W149 E182 Q188 Q189 L190 | W149-F186 HydrophobicContact CE3-CB 4.03Å; W149-F186 HydrophobicContact CH2-CB 3.66Å; W149-F186 HydrophobicContact CZ3-CB 3.35Å; W149-F186 HydrophobicContact CZ3-CD2 4.48Å; W149-F186 HydrophobicContact CZ3-CG 4.11Å; E182-F186 HydrophobicContact CB-CD2 4.27Å; E182-F186 HydrophobicContact CB-CE2 4.03Å; E182-F186 WeakPolarHBondContact O-CD2 3.46Å; E182-F186 WeakPolarHBondContact O-CG 3.03Å; E182-F186 PolarHBondContact O-N 3.11Å; F186-Q188 VanDerWaalsContact C-N 3.32Å; F186-Q188 PolarHBondContact O-N 3.33Å; F186-Q189 PolarHBondContact O-N 2.91Å; F186-L190 HydrophobicContact CB-CD1 4.47Å; F186-L190 WeakPolarHBondContact O-CB 3.41Å; F186-L190 PolarHBondContact O-N 3.32Å |
| 187 | W | 83.6 | Confident | 79.5 | Confident | 30 Ų | 30 | 62.6 Ų | 62.6 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 173.7 | 174 | 89.9 | 0 | 0 | 0 | 110.7 | M103 L107 W149 A183 V184 N185 Q189 S191 Q195 L197 | M103-W187 HydrophobicContact CB-CD2 4.47Å; M103-W187 HydrophobicContact CB-CE3 4.37Å; M103-W187 HydrophobicContact CB-CH2 3.21Å; M103-W187 HydrophobicContact CB-CZ2 3.3Å; M103-W187 HydrophobicContact CB-CZ3 3.77Å; M103-W187 HydrophobicContact CE-CE3 4.4Å; M103-W187 HydrophobicContact CE-CZ3 4.32Å; M103-W187 HydrophobicContact CG-CD2 4.31Å; M103-W187 HydrophobicContact CG-CE3 4.41Å; M103-W187 HydrophobicContact CG-CH2 4.06Å; M103-W187 HydrophobicContact CG-CZ2 3.92Å; M103-W187 HydrophobicContact CG-CZ3 4.27Å; L107-W187 HydrophobicContact CD1-CZ3 4.11Å; W149-W187 HydrophobicContact CZ2-CB 4.22Å; A183-W187 WeakPolarHBondContact O-CB 3.3Å; A183-W187 PolarHBondContact O-N 2.86Å; V184-W187 PolarHBondContact O-N 3.48Å; N185-W187 VanDerWaalsContact C-N 3.34Å; N185-W187 PolarHBondContact O-N 3.24Å; W187-Q189 VanDerWaalsContact C-N 3.33Å; W187-Q189 PolarHBondContact O-N 2.65Å; W187-S191 WeakPolarHBondContact CA-OG 3.43Å; W187-S191 PolarHBondContact NE1-OG 3.33Å; W187-S191 WeakPolarHBondContact O-CA 3.4Å; W187-S191 WeakPolarHBondContact O-CB 3.28Å; W187-S191 PolarHBondContact O-N 2.9Å; W187-S191 PolarHBondContact O-OG 3.38Å; W187-Q195 WeakPolarHBondContact CZ2-O 3.18Å; W187-Q195 PolarHBondContact NE1-O 2.92Å; W187-Q195 VanDerWaalsContact NE1-O 3.11Å; W187-L197 HydrophobicContact CB-CD1 3.74Å; W187-L197 HydrophobicContact CG-CB 4.36Å; W187-L197 HydrophobicContact CG-CD1 3.91Å |
| 188 | Q | 79.2 | Confident | 79.5 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 178.8 | -173.4 | 178.6 | 12 | 0 | 0 | 113 | L107 V184 N185 F186 | L107-Q188 HydrophobicContact CD1-CG 4.49Å; V184-Q188 WeakPolarHBondContact O-CB 3.44Å; V184-Q188 PolarHBondContact O-N 3.49Å; N185-Q188 PolarHBondContact O-N 3.13Å; F186-Q188 VanDerWaalsContact C-N 3.32Å; F186-Q188 PolarHBondContact O-N 3.33Å |
| 189 | Q | 75.6 | Confident | 79.5 | Confident | 110 Ų | 110 | 60.9 Ų | 60.9 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -77.4 | -38.8 | -178.3 | -68.1 | 173.2 | 15.1 | 0 | 0 | 113.3 | N185 F186 W187 | N185-Q189 WeakPolarHBondContact O-CG 3.37Å; N185-Q189 PolarHBondContact O-N 2.95Å; N185-Q189 VanDerWaalsContact O-N 3.13Å; F186-Q189 PolarHBondContact O-N 2.91Å; W187-Q189 VanDerWaalsContact C-N 3.33Å; W187-Q189 PolarHBondContact O-N 2.65Å |
| 190 | L | 72.2 | Confident | 79.8 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 51% | 0.508 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -101.9 | -21.5 | -168.9 | -67.6 | 164.6 | 0 | 0 | 0 | 113.7 | W149 F186 | W149-L190 HydrophobicContact CH2-CD1 3.91Å; W149-L190 HydrophobicContact CZ3-CD1 4.33Å; F186-L190 HydrophobicContact CB-CD1 4.47Å; F186-L190 WeakPolarHBondContact O-CB 3.41Å; F186-L190 PolarHBondContact O-N 3.32Å |
| 191 | S | 64.8 | Low | 79.9 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 20% | 0.203 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 138.1 | -169.5 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | W187 | W187-S191 WeakPolarHBondContact CA-OG 3.43Å; W187-S191 PolarHBondContact NE1-OG 3.33Å; W187-S191 WeakPolarHBondContact O-CA 3.4Å; W187-S191 WeakPolarHBondContact O-CB 3.28Å; W187-S191 PolarHBondContact O-N 2.9Å; W187-S191 PolarHBondContact O-OG 3.38Å |
| 192 | R | 64.1 | Low | 80.2 | Confident | 148 Ų | 148 | 61.3 Ų | 61.3 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 155.1 | 171.6 | -66.5 | -174 | -172 | 152.9 | 13.8 | 110 | D154 R194 Q195 | D154-R192 IonicContact OD2-CZ 3.78Å; D154-R192 IonicContact OD2-NH1 2.9Å; D154-R192 IonicContact OD2-NH2 3.66Å; D154-R192 PolarHBondContact OD2-NH2 2.67Å; R192-R194 PolarHBondContact O-N 3.05Å; R192-Q195 PolarHBondContact O-N 3.46Å |
| 193 | P | 59.2 | Low | 80.6 | Confident | 123 Ų | 123 | 56.8 Ų | 56.8 | 80% | 0.799 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 134.6 | 171.8 | 18.7 | -30.3 | 0 | 0 | 0 | 110.5 | ||
| 194 | R | 65.3 | Low | 80.7 | Confident | 200 Ų | 200 | 61.2 Ų | 61.2 | 76% | 0.755 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 4.1 | 177.8 | -50.1 | 176.9 | 174.3 | 169 | 0.9 | 118 | E104 R192 | E104-R194 IonicContact OE1-NE 3.77Å; R192-R194 PolarHBondContact O-N 3.05Å |
| 195 | Q | 76.4 | Confident | 80.8 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 133.1 | 173 | -69.1 | -176.7 | -1.5 | 0 | 0 | 111.5 | W187 R192 | W187-Q195 WeakPolarHBondContact CZ2-O 3.18Å; W187-Q195 PolarHBondContact NE1-O 2.92Å; W187-Q195 VanDerWaalsContact NE1-O 3.11Å; R192-Q195 PolarHBondContact O-N 3.46Å |
| 196 | P | 85.9 | Confident | 81 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 157.7 | 175.6 | 31.9 | -35.1 | 0 | 0 | 0 | 111.5 | V100 F101 L198 | V100-P196 HydrophobicContact CG1-CB 3.68Å; V100-P196 HydrophobicContact CG1-CG 3.97Å; F101-P196 CarbonylContact O-C 3.47Å; F101-P196 VanDerWaalsContact O-CA 3.24Å; F101-P196 WeakPolarHBondContact O-CA 3.44Å; F101-P196 VanDerWaalsContact O-CB 3.22Å; F101-P196 WeakPolarHBondContact O-CB 3.24Å; P196-L198 HydrophobicContact CG-CD2 4.21Å |
| 197 | L | 87.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126.3 | 167 | 175.2 | 75.7 | 0 | 0 | 0 | 108.7 | F101 M103 V184 W187 L199 L235 | F101-L197 HydrophobicContact CB-CB 4.24Å; F101-L197 HydrophobicContact CD2-CD2 4.46Å; F101-L197 PolarHBondContact N-O 2.89Å; F101-L197 PolarHBondContact O-N 2.89Å; M103-L197 HydrophobicContact CG-CB 3.56Å; M103-L197 HydrophobicContact SD-CB 4.11Å; M103-L197 HydrophobicContact SD-CD2 4.34Å; V184-L197 HydrophobicContact CG2-CD2 3.88Å; W187-L197 HydrophobicContact CB-CD1 3.74Å; W187-L197 HydrophobicContact CG-CB 4.36Å; W187-L197 HydrophobicContact CG-CD1 3.91Å; L197-L199 HydrophobicContact CD1-CD2 4.39Å; L197-L199 HydrophobicContact CD2-CD1 4.24Å; L197-L199 HydrophobicContact CD2-CG 4.29Å; L197-L199 HydrophobicContact CG-CD2 4.37Å; L197-L199 HydrophobicContact CG-CG 4.23Å; L197-L235 HydrophobicContact CD2-CD2 3.83Å |
| 198 | L | 89.1 | Confident | 80.4 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.8 | 179.8 | -56.3 | 175 | 0 | 0 | 0 | 109.6 | L99 V100 W149 L150 V152 P196 | L99-L198 WeakPolarHBondContact O-CA 3.44Å; V100-L198 HydrophobicContact CB-CD2 3.96Å; V100-L198 HydrophobicContact CG1-CD2 3.72Å; V100-L198 HydrophobicContact CG2-CD2 3.33Å; W149-L198 VanDerWaalsContact CD1-O 3.3Å; L150-L198 HydrophobicContact CB-CB 4Å; L150-L198 HydrophobicContact CD2-CD1 4.4Å; L150-L198 PolarHBondContact N-O 3.31Å; V152-L198 HydrophobicContact CG2-CD1 3.86Å; P196-L198 HydrophobicContact CG-CD2 4.21Å |
| 199 | L | 90.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.2 | 176.3 | -61.7 | 178.8 | 0 | 0 | 0 | 109.4 | L99 F101 L118 E148 W149 V180 A183 L197 | L99-L199 HydrophobicContact CB-CB 4.37Å; L99-L199 WeakPolarHBondContact CB-O 3.09Å; L99-L199 PolarHBondContact N-O 2.72Å; L99-L199 PolarHBondContact O-N 2.95Å; F101-L199 HydrophobicContact CD2-CD1 4.33Å; F101-L199 HydrophobicContact CE2-CD1 3.93Å; F101-L199 HydrophobicContact CE2-CG 4.39Å; L118-L199 HydrophobicContact CD2-CD1 4.17Å; E148-L199 CarbonylContact O-C 3.57Å; E148-L199 WeakPolarHBondContact O-CA 3.24Å; W149-L199 HydrophobicContact CB-CD2 4.35Å; V180-L199 HydrophobicContact CB-CD1 4.35Å; V180-L199 HydrophobicContact CG1-CD1 4.07Å; V180-L199 HydrophobicContact CG2-CD1 4.46Å; A183-L199 HydrophobicContact CB-CD2 4Å; L197-L199 HydrophobicContact CD1-CD2 4.39Å; L197-L199 HydrophobicContact CD2-CD1 4.24Å; L197-L199 HydrophobicContact CD2-CG 4.29Å; L197-L199 HydrophobicContact CG-CD2 4.37Å; L197-L199 HydrophobicContact CG-CG 4.23Å |
| 200 | Q | 91 | Very high | 79.6 | Confident | 48 Ų | 48 | 69 Ų | 69 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.8 | 173.1 | -179.7 | 174.5 | -71.1 | 0 | 0 | 108.8 | T96 E148 | T96-Q200 HydrophobicContact CG2-CG 3.74Å; E148-Q200 HydrophobicContact CB-CB 4.41Å; E148-Q200 PolarHBondContact N-O 3.27Å; E148-Q200 PolarHBondContact O-N 3Å; E148-Q200 PolarHBondContact OE2-NE2 2.96Å |
| 201 | V | 91.6 | Very high | 79.4 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.3 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 108 | T96 H97 L99 L118 L120 V145 T146 V147 | T96-V201 CarbonylContact C-O 3.59Å; T96-V201 WeakPolarHBondContact CA-O 3.38Å; H97-V201 HydrophobicContact CB-CB 4.08Å; H97-V201 WeakPolarHBondContact CB-O 2.95Å; H97-V201 PolarHBondContact N-O 2.95Å; H97-V201 PolarHBondContact O-N 3.06Å; L99-V201 HydrophobicContact CD1-CG2 3.71Å; L99-V201 HydrophobicContact CG-CG2 4.29Å; L118-V201 HydrophobicContact CD2-CG2 4.18Å; L120-V201 HydrophobicContact CD1-CG1 3.85Å; L120-V201 HydrophobicContact CD1-CG2 4.08Å; V145-V201 HydrophobicContact CG1-CG1 3.73Å; T146-V201 CarbonylContact O-C 3.56Å; T146-V201 WeakPolarHBondContact O-CA 3.31Å; V147-V201 HydrophobicContact CG2-CG2 4.38Å |
| 202 | S | 91.3 | Very high | 79.6 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 5% | 0.049 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.4 | 177.6 | 88.7 | 0 | 0 | 0 | 0 | 111.8 | S95 V145 T146 Q204 | S95-S202 CarbonylContact O-C 3.57Å; S95-S202 WeakPolarHBondContact O-CA 3.06Å; V145-S202 WeakPolarHBondContact CA-O 3.29Å; T146-S202 PolarHBondContact N-O 2.63Å; T146-S202 PolarHBondContact O-N 3.12Å; T146-S202 PolarHBondContact OG1-OG 3.17Å; S202-Q204 PolarHBondContact OG-NE2 3.13Å |
| 203 | V | 91.3 | Very high | 80.3 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 106.4 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 109 | S95 A143 R144 V145 H216 V219 F221 | S95-V203 WeakPolarHBondContact CB-O 3.07Å; S95-V203 PolarHBondContact O-N 2.88Å; A143-V203 HydrophobicContact CB-CG1 3.94Å; R144-V203 CarbonylContact O-C 3.53Å; V145-V203 HydrophobicContact CG2-CG1 4.49Å; V145-V203 HydrophobicContact CG2-CG2 4.4Å; V203-H216 HydrophobicContact CG1-CB 4.02Å; V203-V219 HydrophobicContact CG1-CB 3.97Å; V203-V219 HydrophobicContact CG1-CG1 4.2Å; V203-F221 HydrophobicContact CG2-CD2 4.39Å; V203-F221 HydrophobicContact CG2-CE2 3.99Å |
| 204 | Q | 90.1 | Very high | 81.4 | Confident | 93 Ų | 93 | 59.6 Ų | 59.6 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 167 | -174.8 | -56.7 | -176.3 | 10.6 | 0 | 0 | 111.5 | R144 S202 H216 | R144-Q204 HydrophobicContact CB-CB 4.49Å; R144-Q204 PolarHBondContact N-O 3.03Å; R144-Q204 PolarHBondContact O-N 3.42Å; S202-Q204 PolarHBondContact OG-NE2 3.13Å; Q204-H216 WeakPolarHBondContact O-CB 3.36Å |
| 205 | R | 87.4 | Confident | 82.4 | Confident | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 149.8 | 171.5 | -61.6 | -178.2 | -163.9 | 176.7 | 4 | 109.7 | H207 G209 A212 H216 | R205-H207 VanDerWaalsContact C-N 3.27Å; R205-H207 WeakPolarHBondContact CB-O 3.18Å; R205-H207 PolarHBondContact O-N 2.97Å; R205-G209 PolarHBondContact NH1-O 3.44Å; R205-A212 HydrophobicContact CB-CB 4.29Å; R205-A212 HydrophobicContact CG-CB 4.48Å; R205-H216 WeakPolarHBondContact CG-ND1 3.44Å; R205-H216 PolarHBondContact NE-CE1 2.83Å |
| 206 | E | 85.6 | Confident | 82.9 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -59 | -41.1 | 174.8 | -173.7 | -178.6 | -175.3 | 0 | 0 | 111.9 | S140 R142 L167 | S140-E206 WeakPolarHBondContact CB-OE2 3.37Å; S140-E206 PolarHBondContact OG-OE2 2.83Å; R142-E206 IonicContact CZ-OE1 3.52Å; R142-E206 VanDerWaalsContact CZ-OE1 3.26Å; R142-E206 IonicContact NE-OE1 2.77Å; R142-E206 PolarHBondContact NE-OE1 3.39Å; R142-E206 IonicContact NH2-OE1 2.78Å; R142-E206 PolarHBondContact NH2-OE1 3.2Å; L167-E206 HydrophobicContact CD1-CG 4.31Å; L167-E206 HydrophobicContact CD2-CB 4.4Å; L167-E206 HydrophobicContact CD2-CG 3.87Å |
| 207 | H | 80.3 | Confident | 82.9 | Confident | 120 Ų | 120 | 52 Ų | 52 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -129.6 | 141.4 | 176.4 | -62.4 | 88.3 | 0 | 0 | 0 | 110.4 | R205 A212 | R205-H207 VanDerWaalsContact C-N 3.27Å; R205-H207 WeakPolarHBondContact CB-O 3.18Å; R205-H207 PolarHBondContact O-N 2.97Å; H207-A212 WeakPolarHBondContact O-CB 3.39Å |
| 208 | P | 70.4 | Confident | 82.9 | Confident | 133 Ų | 133 | 54 Ų | 54 | 86% | 0.864 | 30% | 0.295 | S | S | * | . | trans | -72 | 131.9 | 168.3 | 27 | -29.5 | 0 | 0 | 0 | 110.3 | ||||
| 209 | G | 71.4 | Confident | 82.9 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 151.2 | 166.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | R205 L211 A212 | R205-G209 PolarHBondContact NH1-O 3.44Å; G209-L211 VanDerWaalsContact C-N 3.33Å; G209-L211 PolarHBondContact O-N 3.35Å; G209-A212 WeakPolarHBondContact O-CB 3.17Å; G209-A212 PolarHBondContact O-N 2.85Å |
| 210 | P | 66.8 | Low | 82.7 | Confident | 134 Ų | 134 | 60.4 Ų | 60.4 | 87% | 0.87 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -24.9 | -179.8 | 25.9 | -32.3 | 0 | 0 | 0 | 113.6 | A212 | P210-A212 VanDerWaalsContact C-N 3.31Š|
| 211 | L | 68 | Low | 82.5 | Confident | 140 Ų | 140 | 59 Ų | 59 | 73% | 0.733 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 4.3 | 175 | -79 | 130.7 | 0 | 0 | 0 | 113.7 | R139 G209 | R139-L211 VanDerWaalsContact NH1-CD2 3.25Å; G209-L211 VanDerWaalsContact C-N 3.33Å; G209-L211 PolarHBondContact O-N 3.35Å |
| 212 | A | 69.2 | Low | 82 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | trans | -73.9 | 139.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R205 H207 G209 P210 | R205-A212 HydrophobicContact CB-CB 4.29Å; R205-A212 HydrophobicContact CG-CB 4.48Å; H207-A212 WeakPolarHBondContact O-CB 3.39Å; G209-A212 WeakPolarHBondContact O-CB 3.17Å; G209-A212 PolarHBondContact O-N 2.85Å; P210-A212 VanDerWaalsContact C-N 3.31Å | ||
| 213 | S | 78.8 | Confident | 81.1 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | trans | -59.6 | 139.7 | -179 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | H133 S140 A215 H216 | H133-S213 PolarHBondContact CE1-OG 3.42Å; H133-S213 PolarHBondContact NE2-OG 3.17Å; S140-S213 VanDerWaalsContact O-CB 3.23Å; S140-S213 WeakPolarHBondContact O-CB 3.14Å; S140-S213 PolarHBondContact O-OG 3.09Å; S140-S213 WeakPolarHBondContact OG-CB 3.32Å; S213-A215 PolarHBondContact O-N 3.1Å; S213-A215 WeakPolarHBondContact OG-CB 3.47Å; S213-A215 PolarHBondContact OG-N 3.47Å; S213-H216 PolarHBondContact O-ND1 2.79Å | ||
| 214 | G | 82.1 | Confident | 79.5 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 25% | 0.247 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -73 | 3.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H216 K217 | G214-H216 PolarHBondContact O-N 2.87Å; G214-H216 VanDerWaalsContact O-N 3.11Å; G214-K217 WeakPolarHBondContact O-CB 3.44Å; G214-K217 PolarHBondContact O-N 3.16Å |
| 215 | A | 85.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -51.7 | -35.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H133 V170 S213 K217 L218 V219 | H133-A215 PolarHBondContact NE2-N 3.45Å; V170-A215 HydrophobicContact CG1-CB 3.84Å; V170-A215 WeakPolarHBondContact CG1-O 2.96Å; S213-A215 PolarHBondContact O-N 3.1Å; S213-A215 WeakPolarHBondContact OG-CB 3.47Å; S213-A215 PolarHBondContact OG-N 3.47Å; A215-K217 PolarHBondContact O-N 2.93Å; A215-K217 VanDerWaalsContact O-N 3.12Å; A215-L218 WeakPolarHBondContact O-CB 3.3Å; A215-L218 PolarHBondContact O-N 3.02Å; A215-V219 PolarHBondContact O-N 3.24Å |
| 216 | H | 86.8 | Confident | 76.1 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 12% | 0.12 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -53.1 | -31 | 175.7 | 67.7 | -71.3 | 0 | 0 | 0 | 114.2 | A143 V203 Q204 R205 S213 G214 L218 | A143-H216 HydrophobicContact CB-CB 4.02Å; V203-H216 HydrophobicContact CG1-CB 4.02Å; Q204-H216 WeakPolarHBondContact O-CB 3.36Å; R205-H216 WeakPolarHBondContact CG-ND1 3.44Å; R205-H216 PolarHBondContact NE-CE1 2.83Å; S213-H216 PolarHBondContact O-ND1 2.79Å; G214-H216 PolarHBondContact O-N 2.87Å; G214-H216 VanDerWaalsContact O-N 3.11Å; H216-L218 PolarHBondContact O-N 3.25Å |
| 217 | K | 87 | Confident | 74.2 | Confident | 143 Ų | 143 | 66.7 Ų | 66.7 | 62% | 0.622 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -72.9 | -17.9 | 178.7 | -59.7 | -177.7 | 178.5 | -178.1 | 0 | 113.5 | G214 A215 | G214-K217 WeakPolarHBondContact O-CB 3.44Å; G214-K217 PolarHBondContact O-N 3.16Å; A215-K217 PolarHBondContact O-N 2.93Å; A215-K217 VanDerWaalsContact O-N 3.12Å |
| 218 | L | 87.4 | Confident | 72.8 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 21% | 0.209 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -21 | -178.6 | -58.7 | 177.8 | 0 | 0 | 0 | 112.1 | V125 H133 V170 A215 H216 R220 | V125-L218 HydrophobicContact CG1-CB 4.31Å; V125-L218 HydrophobicContact CG2-CB 4.32Å; V125-L218 WeakPolarHBondContact CG2-O 3.48Å; H133-L218 HydrophobicContact CB-CD1 3.77Å; V170-L218 HydrophobicContact CB-CB 4.49Å; V170-L218 HydrophobicContact CG1-CB 3.98Å; A215-L218 WeakPolarHBondContact O-CB 3.3Å; A215-L218 PolarHBondContact O-N 3.02Å; H216-L218 PolarHBondContact O-N 3.25Å; L218-R220 PolarHBondContact O-N 3.42Å |
| 219 | V | 88.5 | Confident | 72.2 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | trans | -77.1 | 119.7 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | A143 V168 V170 V203 A215 F221 | A143-V219 HydrophobicContact CB-CB 4.49Å; A143-V219 HydrophobicContact CB-CG2 3.74Å; V168-V219 HydrophobicContact CG2-CG1 4.02Å; V168-V219 HydrophobicContact CG2-CG2 4.11Å; V170-V219 HydrophobicContact CG1-CG2 3.72Å; V203-V219 HydrophobicContact CG1-CB 3.97Å; V203-V219 HydrophobicContact CG1-CG1 4.2Å; A215-V219 PolarHBondContact O-N 3.24Å; V219-F221 HydrophobicContact CG1-CE2 4.07Å; V219-F221 HydrophobicContact CG1-CZ 4.15Å | ||
| 220 | R | 87.6 | Confident | 71.6 | Confident | 158 Ų | 158 | 65.2 Ų | 65.2 | 60% | 0.596 | 40% | 0.398 | S | S | * | . | trans | -130.3 | 139.8 | 176.3 | -65.1 | -178.7 | -178.1 | 166.6 | -2.3 | 109.3 | Q122 E123 L218 | Q122-R220 WeakPolarHBondContact CA-O 3.46Å; E123-R220 HydrophobicContact CB-CB 4.44Å; E123-R220 PolarHBondContact N-O 2.92Å; E123-R220 WeakPolarHBondContact OE2-CB 3.33Å; L218-R220 PolarHBondContact O-N 3.42Å | ||
| 221 | F | 86.8 | Confident | 71.5 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -104.5 | 139.1 | 172.5 | -66.3 | -71.6 | 0 | 0 | 0 | 109.2 | L120 F121 Q122 V145 K176 V203 V219 | L120-F221 HydrophobicContact CB-CD1 3.54Å; L120-F221 HydrophobicContact CB-CE1 3.79Å; L120-F221 HydrophobicContact CB-CG 4.14Å; L120-F221 HydrophobicContact CD1-CD1 4.46Å; L120-F221 HydrophobicContact CD1-CE1 4.46Å; L120-F221 HydrophobicContact CD1-CG 4.48Å; L120-F221 HydrophobicContact CD1-CZ 4.49Å; F121-F221 CarbonylContact O-C 3.57Å; F121-F221 VanDerWaalsContact O-CA 3.28Å; F121-F221 WeakPolarHBondContact O-CA 3.35Å; Q122-F221 HydrophobicContact CB-CD1 4.26Å; Q122-F221 HydrophobicContact CB-CE1 4.02Å; V145-F221 HydrophobicContact CG1-CE2 4.09Å; V145-F221 HydrophobicContact CG1-CZ 4.23Å; V145-F221 HydrophobicContact CG2-CE2 4.04Å; V145-F221 HydrophobicContact CG2-CZ 3.96Å; K176-F221 HydrophobicContact CB-CE1 4.27Å; K176-F221 HydrophobicContact CG-CE1 4.15Å; V203-F221 HydrophobicContact CG2-CD2 4.39Å; V203-F221 HydrophobicContact CG2-CE2 3.99Å; V219-F221 HydrophobicContact CG1-CE2 4.07Å; V219-F221 HydrophobicContact CG1-CZ 4.15Å |
| 222 | A | 80.8 | Confident | 72 | Confident | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 34% | 0.335 | C | S | . | . | trans | -59.5 | 140.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F121 E123 G231 | F121-A222 HydrophobicContact CB-CB 4.32Å; F121-A222 HydrophobicContact CD1-CB 4.11Å; F121-A222 PolarHBondContact O-N 2.78Å; E123-A222 HydrophobicContact CG-CB 4.27Å; A222-G231 VanDerWaalsContact CB-O 3.31Å; A222-G231 WeakPolarHBondContact CB-O 3.34Å | ||
| 223 | S | 71.4 | Confident | 72.8 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | trans | -124.6 | 166.2 | 178.5 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | G225 A226 | S223-G225 PolarHBondContact O-N 2.94Å; S223-A226 PolarHBondContact O-N 3.29Å | ||
| 224 | Q | 58.3 | Low | 73.1 | Confident | 99 Ų | 99 | 55.7 Ų | 55.7 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 97.2 | 179 | -86.2 | 178.5 | -14.8 | 0 | 0 | 110.4 | E232 | Q224-E232 HydrophobicContact CG-CG 4.13Š|
| 225 | G | 52 | Low | 73.3 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 75% | 0.753 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 154 | -13.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S223 | S223-G225 PolarHBondContact O-N 2.94Š|
| 226 | A | 53.4 | Low | 73.4 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -67.7 | 137.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S223 A228 G229 L230 | S223-A226 PolarHBondContact O-N 3.29Å; A226-A228 PolarHBondContact O-N 2.85Å; A226-G229 PolarHBondContact O-N 2.88Å; A226-L230 WeakPolarHBondContact CB-O 3.45Å |
| 227 | P | 46.3 | Very low | 73.2 | Confident | 124 Ų | 124 | 55.6 Ų | 55.6 | 81% | 0.805 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 124 | -177.6 | 23.4 | -30 | 0 | 0 | 0 | 109.9 | ||
| 228 | A | 51.5 | Low | 72.9 | Confident | 90 Ų | 90 | 51 Ų | 51 | 74% | 0.744 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 22.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | A226 L230 | A226-A228 PolarHBondContact O-N 2.85Å; A228-L230 HydrophobicContact CB-CD1 3.92Å; A228-L230 PolarHBondContact O-N 3.39Å |
| 229 | G | 56.9 | Low | 72.5 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 47% | 0.474 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 64.9 | 3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A226 G231 | A226-G229 PolarHBondContact O-N 2.88Å; G229-G231 PolarHBondContact O-N 3.28Å |
| 230 | L | 57.8 | Low | 72.1 | Confident | 118 Ų | 118 | 51.2 Ų | 51.2 | 62% | 0.618 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 109.4 | 174.6 | -91.4 | 136.1 | 0 | 0 | 0 | 108.6 | A226 A228 | A226-L230 WeakPolarHBondContact CB-O 3.45Å; A228-L230 HydrophobicContact CB-CD1 3.92Å; A228-L230 PolarHBondContact O-N 3.39Å |
| 231 | G | 66.4 | Low | 71.7 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 106.2 | 9.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F121 A222 G229 | F121-G231 VanDerWaalsContact CB-CA 3.47Å; A222-G231 VanDerWaalsContact CB-O 3.31Å; A222-G231 WeakPolarHBondContact CB-O 3.34Å; G229-G231 PolarHBondContact O-N 3.28Å |
| 232 | E | 78.8 | Confident | 71.4 | Confident | 58 Ų | 58 | 50 Ų | 50 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | trans | -58.4 | 143.2 | 167.8 | -68.5 | -169.5 | -178.9 | 0 | 0 | 111 | Q224 Q234 | Q224-E232 HydrophobicContact CG-CG 4.13Å; E232-Q234 PolarHBondContact O-N 3.12Å | ||
| 233 | P | 85.2 | Confident | 71.4 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | trans | -59.9 | 120.5 | 173.8 | -25.5 | 35.6 | 0 | 0 | 0 | 111.6 | G87 L99 L120 | G87-P233 PolarHBondContact N-O 3.13Å; L99-P233 HydrophobicContact CD1-CB 4.14Å; L99-P233 HydrophobicContact CD2-CB 4Å; L99-P233 HydrophobicContact CD2-CG 3.71Å; L120-P233 HydrophobicContact CD2-CB 3.78Å; L120-P233 HydrophobicContact CD2-CG 4.14Å | ||
| 234 | Q | 85.7 | Confident | 71.8 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.2 | 179.7 | -64.8 | 179.1 | -39.3 | 0 | 0 | 110.2 | E84 R119 E232 | E84-Q234 PolarHBondContact OE2-NE2 3.15Å; R119-Q234 HydrophobicContact CB-CB 4.29Å; R119-Q234 PolarHBondContact N-O 2.81Å; R119-Q234 PolarHBondContact O-N 2.94Å; E232-Q234 PolarHBondContact O-N 3.12Å |
| 235 | L | 86.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 112.8 | 167 | -179.4 | 67 | 0 | 0 | 0 | 108.9 | V85 F101 M103 V180 L197 L237 | V85-L235 HydrophobicContact CB-CB 4.35Å; V85-L235 PolarHBondContact N-O 2.81Å; V85-L235 PolarHBondContact O-N 3.43Å; F101-L235 HydrophobicContact CB-CD2 4.13Å; F101-L235 HydrophobicContact CD1-CB 3.59Å; F101-L235 HydrophobicContact CD1-CD2 4Å; F101-L235 HydrophobicContact CD1-CG 4.46Å; F101-L235 HydrophobicContact CD2-CD2 4.35Å; F101-L235 HydrophobicContact CE1-CB 3.46Å; F101-L235 VanDerWaalsContact CE1-CB 3.46Å; F101-L235 HydrophobicContact CG-CB 4.29Å; F101-L235 HydrophobicContact CG-CD2 3.9Å; F101-L235 HydrophobicContact CZ-CB 4.07Å; M103-L235 HydrophobicContact CE-CD2 4.29Å; M103-L235 HydrophobicContact SD-CD2 3.86Å; V180-L235 HydrophobicContact CG2-CD1 3.53Å; L197-L235 HydrophobicContact CD2-CD2 3.83Å; L235-L237 HydrophobicContact CD1-CD2 4.33Å; L235-L237 HydrophobicContact CD2-CD2 4.19Å; L235-L237 HydrophobicContact CG-CD2 3.99Å; L235-L237 HydrophobicContact CG-CG 4.43Å |
| 236 | E | 85.6 | Confident | 74.3 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 15% | 0.15 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.3 | 175.9 | -68.6 | 177.7 | 177.6 | 0 | 0 | 109.3 | A116 V117 R119 | A116-E236 CarbonylContact C-O 3.4Å; A116-E236 WeakPolarHBondContact CA-O 3.49Å; V117-E236 HydrophobicContact CB-CB 4.35Å; V117-E236 PolarHBondContact N-O 2.98Å; V117-E236 PolarHBondContact O-N 2.91Å; R119-E236 WeakPolarHBondContact CD-OE1 3.36Å; R119-E236 WeakPolarHBondContact CD-OE2 3.22Å; R119-E236 IonicContact CZ-OE1 3.35Å; R119-E236 IonicContact NE-OE1 2.73Å; R119-E236 IonicContact NH1-OE1 2.83Å; R119-E236 PolarHBondContact NH1-OE1 3.05Å |
| 237 | L | 84.1 | Confident | 75.9 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.7 | -179.4 | -57.7 | 176.3 | 0 | 0 | 0 | 108.6 | F82 M103 R106 L107 L113 A116 V184 L235 | F82-L237 VanDerWaalsContact CE2-O 3.31Å; F82-L237 WeakPolarHBondContact CE2-O 3.32Å; M103-L237 HydrophobicContact CE-CD1 3.89Å; R106-L237 HydrophobicContact CB-CD1 4.41Å; L107-L237 HydrophobicContact CD2-CD1 3.96Å; L107-L237 HydrophobicContact CG-CD1 4.48Å; L113-L237 HydrophobicContact CD1-CB 4.36Å; L113-L237 HydrophobicContact CD1-CD2 4.27Å; A116-L237 HydrophobicContact CB-CD2 3.6Å; V184-L237 HydrophobicContact CG1-CD2 4.32Å; V184-L237 HydrophobicContact CG2-CD2 4.23Å; L235-L237 HydrophobicContact CD1-CD2 4.33Å; L235-L237 HydrophobicContact CD2-CD2 4.19Å; L235-L237 HydrophobicContact CG-CD2 3.99Å; L235-L237 HydrophobicContact CG-CG 4.43Å |
| 238 | H | 79.6 | Confident | 77.7 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 21% | 0.213 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.1 | 173.3 | -59.6 | -78.4 | 0 | 0 | 0 | 109 | V114 Q115 L304 | V114-H238 PolarHBondContact N-O 2.87Å; Q115-H238 HydrophobicContact CB-CB 4.09Å; Q115-H238 PolarHBondContact N-O 3.05Å; Q115-H238 VanDerWaalsContact N-O 3.16Å; Q115-H238 PolarHBondContact O-N 2.84Å; H238-L304 HydrophobicContact CB-CD2 3.8Å |
| 239 | T | 80.3 | Confident | 79.4 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150 | -177.9 | 58.4 | 0 | 0 | 0 | 0 | 110 | L107 E112 L113 | L107-T239 HydrophobicContact CD2-CG2 3.99Å; E112-T239 CarbonylContact O-C 3.59Å; E112-T239 WeakPolarHBondContact O-CA 3.24Å; E112-T239 WeakPolarHBondContact O-CB 3.47Å; L113-T239 HydrophobicContact CD1-CG2 4.07Å |
| 240 | L | 78.3 | Confident | 80.8 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137.3 | 168.4 | -66.6 | 171.3 | 0 | 0 | 0 | 109.2 | S111 E112 V114 L242 Y245 P300 | S111-L240 CarbonylContact C-O 3.56Å; S111-L240 WeakPolarHBondContact CA-O 2.96Å; S111-L240 WeakPolarHBondContact CB-O 3.46Å; E112-L240 PolarHBondContact N-O 3Å; E112-L240 PolarHBondContact O-N 2.85Å; V114-L240 HydrophobicContact CG2-CB 4.32Å; V114-L240 HydrophobicContact CG2-CD1 3.42Å; V114-L240 VanDerWaalsContact CG2-CD1 3.42Å; V114-L240 HydrophobicContact CG2-CG 3.45Å; V114-L240 VanDerWaalsContact CG2-CG 3.45Å; L240-L242 PolarHBondContact O-N 2.88Å; L240-Y245 HydrophobicContact CB-CD2 4.11Å; L240-Y245 HydrophobicContact CB-CG 4.11Å; L240-Y245 HydrophobicContact CD1-CD1 4.39Å; L240-Y245 HydrophobicContact CD1-CG 4.34Å; L240-Y245 HydrophobicContact CD2-CD1 3.96Å; L240-Y245 HydrophobicContact CD2-CD2 3.91Å; L240-Y245 HydrophobicContact CD2-CE1 3.98Å; L240-Y245 HydrophobicContact CD2-CE2 3.95Å; L240-Y245 HydrophobicContact CD2-CG 3.92Å; L240-Y245 HydrophobicContact CG-CG 4.33Å; L240-P300 HydrophobicContact CD1-CB 4.12Å; L240-P300 HydrophobicContact CD2-CB 4.22Å |
| 241 | D | 80.6 | Confident | 82.2 | Confident | 82 Ų | 82 | 42.4 Ų | 42.4 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 118.3 | 171 | -167.3 | -16.9 | 0 | 0 | 0 | 109.2 | G243 D244 Y245 | D241-G243 PolarHBondContact O-N 3.42Å; D241-G243 WeakPolarHBondContact OD1-CA 3.4Å; D241-G243 PolarHBondContact OD1-N 3.2Å; D241-D244 PolarHBondContact O-N 3.21Å; D241-Y245 PolarHBondContact O-N 2.9Å |
| 242 | L | 81 | Confident | 83 | Confident | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66 | -18.2 | 176 | -65.6 | 174.6 | 0 | 0 | 0 | 111.7 | N110 E112 L240 D244 G246 | N110-L242 VanDerWaalsContact O-CB 3.3Å; N110-L242 WeakPolarHBondContact O-CB 3.21Å; N110-L242 PolarHBondContact O-N 2.68Å; E112-L242 HydrophobicContact CB-CD2 4.03Å; L240-L242 PolarHBondContact O-N 2.88Å; L242-D244 VanDerWaalsContact C-N 3.25Å; L242-D244 PolarHBondContact O-N 3.42Å; L242-G246 WeakPolarHBondContact O-CA 3.42Å; L242-G246 PolarHBondContact O-N 3.48Å |
| 243 | G | 80.1 | Confident | 82.9 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -27.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D241 R262 | D241-G243 PolarHBondContact O-N 3.42Å; D241-G243 WeakPolarHBondContact OD1-CA 3.4Å; D241-G243 PolarHBondContact OD1-N 3.2Å; G243-R262 VanDerWaalsContact C-NH2 3.34Å; G243-R262 PolarHBondContact O-NH1 2.59Å; G243-R262 PolarHBondContact O-NH2 2.89Å |
| 244 | D | 78.5 | Confident | 82.5 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -112.8 | -42 | -179.3 | -68 | -30.1 | 0 | 0 | 0 | 112.4 | D241 L242 R262 | D241-D244 PolarHBondContact O-N 3.21Å; L242-D244 VanDerWaalsContact C-N 3.25Å; L242-D244 PolarHBondContact O-N 3.42Å; D244-R262 VanDerWaalsContact C-NH2 3.3Å; D244-R262 PolarHBondContact O-NH2 2.86Å |
| 245 | Y | 80.8 | Confident | 82.1 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -98.7 | -5.8 | -175.5 | -65.4 | -91.4 | 0 | 0 | 0 | 113.6 | L240 D241 Q298 C353 | L240-Y245 HydrophobicContact CB-CD2 4.11Å; L240-Y245 HydrophobicContact CB-CG 4.11Å; L240-Y245 HydrophobicContact CD1-CD1 4.39Å; L240-Y245 HydrophobicContact CD1-CG 4.34Å; L240-Y245 HydrophobicContact CD2-CD1 3.96Å; L240-Y245 HydrophobicContact CD2-CD2 3.91Å; L240-Y245 HydrophobicContact CD2-CE1 3.98Å; L240-Y245 HydrophobicContact CD2-CE2 3.95Å; L240-Y245 HydrophobicContact CD2-CG 3.92Å; L240-Y245 HydrophobicContact CG-CG 4.33Å; D241-Y245 PolarHBondContact O-N 2.9Å; Y245-Q298 HydrophobicContact CD1-CB 3.96Å; Y245-Q298 HydrophobicContact CE1-CB 4.31Å; Y245-C353 WeakPolarHBondContact O-CB 3Å |
| 246 | G | 83.8 | Confident | 81.7 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 6% | 0.062 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -99.4 | -180 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L242 R262 | L242-G246 WeakPolarHBondContact O-CA 3.42Å; L242-G246 PolarHBondContact O-N 3.48Å; G246-R262 PolarHBondContact O-NH2 3.36Å; G246-R262 VanDerWaalsContact O-NH2 3.07Å |
| 247 | A | 85.9 | Confident | 81.3 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | trans | -75.4 | 145.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G249 C263 C351 | A247-G249 VanDerWaalsContact C-N 3.27Å; A247-G249 PolarHBondContact O-N 3.05Å; A247-C263 CarbonylContact C-O 3.51Å; A247-C263 WeakPolarHBondContact CA-O 3.32Å; A247-C263 HydrophobicContact CB-CB 4.15Å; A247-C263 VanDerWaalsContact CB-O 3.28Å; A247-C263 WeakPolarHBondContact CB-O 3.3Å; A247-C351 HydrophobicContact CB-CB 4.26Å; A247-C351 WeakPolarHBondContact CB-O 3.46Å | ||
| 248 | Q | 85.2 | Confident | 81.1 | Confident | 126 Ų | 126 | 68.5 Ų | 68.5 | 59% | 0.589 | 40% | 0.404 | S | S | * | . | trans | -78.6 | -5.9 | -175.8 | -174.8 | 168.9 | -4 | 0 | 0 | 113.6 | R262 C263 C264 | Q248-R262 HydrophobicContact CB-CB 4.45Å; Q248-C263 PolarHBondContact N-O 2.81Å; Q248-C264 HydrophobicContact CB-CB 4.39Å | ||
| 249 | G | 85.6 | Confident | 80.5 | Confident | 38 Ų | 38 | 75.1 Ų | 75.1 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 93 | -133.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A247 C264 R265 | A247-G249 VanDerWaalsContact C-N 3.27Å; A247-G249 PolarHBondContact O-N 3.05Å; G249-C264 CarbonylContact O-C 3.51Å; G249-C264 VanDerWaalsContact O-CA 3.24Å; G249-C264 WeakPolarHBondContact O-CA 3.49Å; G249-C264 WeakPolarHBondContact O-CB 3.5Å; G249-R265 PolarHBondContact O-N 3.44Å |
| 250 | D | 86.6 | Confident | 80.3 | Confident | 87 Ų | 87 | 76 Ų | 76 | 47% | 0.465 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -79.7 | 142.1 | 177.2 | -64.1 | -28.9 | 0 | 0 | 0 | 111.1 | R265 | D250-R265 CarbonylContact C-O 3.44Å; D250-R265 WeakPolarHBondContact CA-O 3.47Å; D250-R265 VanDerWaalsContact CG-NH2 3.34Å; D250-R265 WeakPolarHBondContact OD1-CB 3.18Å; D250-R265 IonicContact OD1-CZ 2.8Å; D250-R265 IonicContact OD1-NE 3.16Å; D250-R265 PolarHBondContact OD1-NE 2.82Å; D250-R265 IonicContact OD1-NH2 2.81Å; D250-R265 PolarHBondContact OD1-NH2 2.79Å; D250-R265 IonicContact OD2-NH2 3.05Å; D250-R265 PolarHBondContact OD2-NH2 2.8Å |
| 251 | C | 87.4 | Confident | 80.5 | Confident | 26 Ų | 26 | 77 Ų | 77 | 18% | 0.176 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 149.3 | 176.5 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | P253 C264 R265 V294 | C251-P253 WeakPolarHBondContact O-CD 3.38Å; C251-C264 VanDerWaalsContact CA-SG 3.56Å; C251-C264 HydrophobicContact CB-CB 3.99Å; C251-C264 WeakPolarHBondContact CB-SG 3.35Å; C251-C264 WeakPolarHBondContact SG-CB 3.38Å; C251-C264 CovalentContact SG-SG 2.03Å; C251-C264 PolarHBondContact SG-SG 3.19Å; C251-R265 PolarHBondContact N-O 2.81Å; C251-V294 VanDerWaalsContact SG-CG2 3.54Å |
| 252 | D | 83.3 | Confident | 80.9 | Confident | 98 Ų | 98 | 76.1 Ų | 76.1 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 119.2 | 170.1 | -173.5 | -16.5 | 0 | 0 | 0 | 109.3 | E254 A255 | D252-E254 PolarHBondContact O-N 3.08Å; D252-E254 PolarHBondContact OD1-N 3.11Å; D252-A255 HydrophobicContact CB-CB 4.06Å; D252-A255 PolarHBondContact O-N 3.01Å |
| 253 | P | 76.4 | Confident | 81.5 | Confident | 125 Ų | 125 | 73 Ų | 73 | 81% | 0.812 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.8 | -177.6 | 27.6 | -35.8 | 0 | 0 | 0 | 113.5 | C251 | C251-P253 WeakPolarHBondContact O-CD 3.38Š|
| 254 | E | 76.8 | Confident | 81.9 | Confident | 179 Ų | 179 | 71.1 Ų | 71.1 | 84% | 0.836 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -16 | -179.4 | -60.3 | -172.5 | 176 | 0 | 0 | 112.7 | D252 | D252-E254 PolarHBondContact O-N 3.08Å; D252-E254 PolarHBondContact OD1-N 3.11Å |
| 255 | A | 77.7 | Confident | 82.4 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -98.3 | 127 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D252 V257 | D252-A255 HydrophobicContact CB-CB 4.06Å; D252-A255 PolarHBondContact O-N 3.01Å; A255-V257 PolarHBondContact O-N 3.3Å |
| 256 | P | 77.6 | Confident | 82.7 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | trans | -67.3 | 135.9 | 175.6 | 26.6 | -32.3 | 0 | 0 | 0 | 110.9 | T258 | P256-T258 PolarHBondContact O-N 3.22Å; P256-T258 VanDerWaalsContact O-N 3.12Å | ||
| 257 | V | 78.3 | Confident | 82.7 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 38% | 0.376 | 43% | 0.434 | S | S | . | . | trans | -67.6 | 111.2 | 172.7 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | A255 T261 V294 | A255-V257 PolarHBondContact O-N 3.3Å; V257-T261 HydrophobicContact CG1-CG2 4.31Å; V257-V294 HydrophobicContact CG1-CB 4.28Å; V257-V294 HydrophobicContact CG1-CG2 4.1Å; V257-V294 HydrophobicContact CG2-CG2 3.98Å | ||
| 258 | T | 79.7 | Confident | 82.6 | Confident | 85 Ų | 85 | 76.9 Ų | 76.9 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | trans | -114.4 | 170.2 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | P256 G260 T261 | P256-T258 PolarHBondContact O-N 3.22Å; P256-T258 VanDerWaalsContact O-N 3.12Å; T258-G260 PolarHBondContact O-N 2.82Å; T258-T261 PolarHBondContact N-OG1 2.9Å; T258-T261 VanDerWaalsContact O-CB 3.24Å; T258-T261 WeakPolarHBondContact O-CB 2.95Å; T258-T261 PolarHBondContact O-N 3.05Å; T258-T261 PolarHBondContact O-OG1 3.44Å; T258-T261 PolarHBondContact OG1-OG1 3.33Å | ||
| 259 | E | 67.6 | Low | 82.5 | Confident | 184 Ų | 184 | 77.3 Ų | 77.3 | 86% | 0.86 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.8 | 179.3 | -66.4 | -176.7 | 166 | 0 | 0 | 113.8 | T296 | E259-T296 PolarHBondContact O-OG1 3.38Å; E259-T296 VanDerWaalsContact O-OG1 3.13Å |
| 260 | G | 75 | Confident | 82.4 | Confident | 67 Ų | 67 | 76 Ų | 76 | 69% | 0.691 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T258 R262 | T258-G260 PolarHBondContact O-N 2.82Å; G260-R262 PolarHBondContact O-N 2.85Å |
| 261 | T | 83.7 | Confident | 82.2 | Confident | 26 Ų | 26 | 75.3 Ų | 75.3 | 16% | 0.16 | 41% | 0.411 | C | S | . | . | trans | -73.8 | 123.8 | -179.4 | -54.1 | 0 | 0 | 0 | 0 | 109.4 | V257 T258 G295 T296 | V257-T261 HydrophobicContact CG1-CG2 4.31Å; T258-T261 PolarHBondContact N-OG1 2.9Å; T258-T261 VanDerWaalsContact O-CB 3.24Å; T258-T261 WeakPolarHBondContact O-CB 2.95Å; T258-T261 PolarHBondContact O-N 3.05Å; T258-T261 PolarHBondContact O-OG1 3.44Å; T258-T261 PolarHBondContact OG1-OG1 3.33Å; T261-G295 CarbonylContact O-C 3.5Å; T261-G295 VanDerWaalsContact O-CA 3.31Å; T261-G295 WeakPolarHBondContact O-CA 3.28Å; T261-T296 PolarHBondContact O-N 2.91Å | ||
| 262 | R | 89 | Confident | 82 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 24% | 0.242 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -66.9 | 145.2 | 176.7 | -65.2 | -178.5 | 59.4 | -174.8 | -12.5 | 109.8 | G243 D244 G246 Q248 G260 C264 | G243-R262 VanDerWaalsContact C-NH2 3.34Å; G243-R262 PolarHBondContact O-NH1 2.59Å; G243-R262 PolarHBondContact O-NH2 2.89Å; D244-R262 VanDerWaalsContact C-NH2 3.3Å; D244-R262 PolarHBondContact O-NH2 2.86Å; G246-R262 PolarHBondContact O-NH2 3.36Å; G246-R262 VanDerWaalsContact O-NH2 3.07Å; Q248-R262 HydrophobicContact CB-CB 4.45Å; G260-R262 PolarHBondContact O-N 2.85Å; R262-C264 PolarHBondContact O-N 3.08Å; R262-C264 VanDerWaalsContact O-N 3.09Å |
| 263 | C | 91.8 | Very high | 81.8 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -43.6 | 117.5 | 178.6 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | A247 Q248 V294 T296 C316 | A247-C263 CarbonylContact C-O 3.51Å; A247-C263 WeakPolarHBondContact CA-O 3.32Å; A247-C263 HydrophobicContact CB-CB 4.15Å; A247-C263 VanDerWaalsContact CB-O 3.28Å; A247-C263 WeakPolarHBondContact CB-O 3.3Å; Q248-C263 PolarHBondContact N-O 2.81Å; C263-V294 CarbonylContact C-O 3.59Å; C263-V294 VanDerWaalsContact CA-O 3.29Å; C263-V294 WeakPolarHBondContact CA-O 2.99Å; C263-T296 PolarHBondContact N-O 2.84Å; C263-C316 VanDerWaalsContact CA-SG 3.53Å; C263-C316 HydrophobicContact CB-CB 3.68Å; C263-C316 WeakPolarHBondContact CB-SG 3.31Å; C263-C316 VanDerWaalsContact SG-CA 3.55Å; C263-C316 WeakPolarHBondContact SG-CB 3.46Å; C263-C316 CovalentContact SG-SG 2.03Å; C263-C316 PolarHBondContact SG-SG 2.85Å |
| 264 | C | 89.9 | Confident | 82 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 162.1 | -178 | 62.7 | 0 | 0 | 0 | 0 | 110.6 | Q248 G249 C251 R262 V294 | Q248-C264 HydrophobicContact CB-CB 4.39Å; G249-C264 CarbonylContact O-C 3.51Å; G249-C264 VanDerWaalsContact O-CA 3.24Å; G249-C264 WeakPolarHBondContact O-CA 3.49Å; G249-C264 WeakPolarHBondContact O-CB 3.5Å; C251-C264 VanDerWaalsContact CA-SG 3.56Å; C251-C264 HydrophobicContact CB-CB 3.99Å; C251-C264 WeakPolarHBondContact CB-SG 3.35Å; C251-C264 WeakPolarHBondContact SG-CB 3.38Å; C251-C264 CovalentContact SG-SG 2.03Å; C251-C264 PolarHBondContact SG-SG 3.19Å; R262-C264 PolarHBondContact O-N 3.08Å; R262-C264 VanDerWaalsContact O-N 3.09Å; C264-V294 PolarHBondContact N-O 3.34Å; C264-V294 PolarHBondContact O-N 3.44Å |
| 265 | R | 89.6 | Confident | 82.4 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 12% | 0.121 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.3 | 177.9 | -173.7 | 178.2 | 63.6 | 163.5 | -2.6 | 109 | G249 D250 C251 Y291 E292 V348 Q349 C351 | G249-R265 PolarHBondContact O-N 3.44Å; D250-R265 CarbonylContact C-O 3.44Å; D250-R265 WeakPolarHBondContact CA-O 3.47Å; D250-R265 VanDerWaalsContact CG-NH2 3.34Å; D250-R265 WeakPolarHBondContact OD1-CB 3.18Å; D250-R265 IonicContact OD1-CZ 2.8Å; D250-R265 IonicContact OD1-NE 3.16Å; D250-R265 PolarHBondContact OD1-NE 2.82Å; D250-R265 IonicContact OD1-NH2 2.81Å; D250-R265 PolarHBondContact OD1-NH2 2.79Å; D250-R265 IonicContact OD2-NH2 3.05Å; D250-R265 PolarHBondContact OD2-NH2 2.8Å; C251-R265 PolarHBondContact N-O 2.81Å; R265-Y291 HydrophobicContact CG-CD1 3.88Å; R265-Y291 HydrophobicContact CG-CG 4.12Å; R265-E292 CarbonylContact C-O 3.59Å; R265-E292 WeakPolarHBondContact CA-O 3.49Å; R265-V348 WeakPolarHBondContact CD-O 3.5Å; R265-V348 HydrophobicContact CG-CG1 4.29Å; R265-V348 PolarHBondContact NH1-O 3.46Å; R265-V348 VanDerWaalsContact NH1-O 3.14Å; R265-Q349 PolarHBondContact NH1-O 2.81Å; R265-C351 VanDerWaalsContact CB-SG 3.58Å |
| 266 | Q | 86.2 | Confident | 82.8 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 38% | 0.379 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.4 | 178 | -172.1 | 170.8 | 10.5 | 0 | 0 | 110.3 | Y291 E292 V294 | Q266-Y291 CarbonylContact O-C 3.46Å; Q266-Y291 WeakPolarHBondContact O-CA 3.49Å; Q266-Y291 WeakPolarHBondContact O-CB 2.99Å; Q266-E292 PolarHBondContact N-O 3.46Å; Q266-E292 PolarHBondContact O-N 2.93Å; Q266-V294 HydrophobicContact CB-CG1 4.32Å; Q266-V294 HydrophobicContact CB-CG2 3.84Å |
| 267 | E | 83.9 | Confident | 83.3 | Confident | 132 Ų | 132 | 71.1 Ų | 71.1 | 62% | 0.617 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 130.3 | 174.8 | -57.8 | -164 | 158.8 | 0 | 0 | 110.8 | Y291 | E267-Y291 HydrophobicContact CB-CD1 4.41Å; E267-Y291 HydrophobicContact CB-CE1 4.41Å; E267-Y291 HydrophobicContact CG-CD1 4.08Å; E267-Y291 HydrophobicContact CG-CE1 3.74Å |
| 268 | M | 83.2 | Confident | 83.6 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 22% | 0.222 | 35% | 0.351 | C | S | . | . | trans | -136.5 | 118.1 | 175 | -178.6 | -172.1 | -70.5 | 0 | 0 | 108.2 | A21 L289 A290 Y291 E292 | A21-M268 HydrophobicContact CB-CE 3.74Å; M268-L289 CarbonylContact O-C 3.57Å; M268-L289 WeakPolarHBondContact O-CA 3.48Å; M268-A290 PolarHBondContact O-N 3.03Å; M268-Y291 PolarHBondContact O-N 2.94Å; M268-E292 HydrophobicContact CE-CB 3.81Å; M268-E292 HydrophobicContact CE-CG 4.35Å; M268-E292 WeakPolarHBondContact CE-OE2 3.08Å | ||
| 269 | Y | 84 | Confident | 83.8 | Confident | 135 Ų | 135 | 68.8 Ų | 68.8 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.5 | 177.1 | -175.1 | -101 | 0 | 0 | 0 | 110.7 | D271 G287 F288 L289 | Y269-D271 HydrophobicContact CD1-CB 4.33Å; Y269-D271 HydrophobicContact CE1-CB 3.84Å; Y269-G287 WeakPolarHBondContact OH-CA 3.43Å; Y269-F288 WeakPolarHBondContact CD2-O 3.46Å; Y269-L289 HydrophobicContact CD2-CD2 3.97Å; Y269-L289 HydrophobicContact CD2-CG 4.29Å |
| 270 | I | 83.1 | Confident | 84.4 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.8 | 175.1 | -60.9 | -175.9 | 0 | 0 | 0 | 107.8 | L22 L272 M275 G287 F288 A290 | L22-I270 HydrophobicContact CB-CD1 4.34Å; L22-I270 HydrophobicContact CD2-CD1 3.53Å; I270-L272 HydrophobicContact CG2-CD2 4.17Å; I270-M275 HydrophobicContact CG2-CE 3.43Å; I270-M275 VanDerWaalsContact CG2-CE 3.43Å; I270-G287 CarbonylContact O-C 3.58Å; I270-G287 WeakPolarHBondContact O-CA 3.47Å; I270-F288 HydrophobicContact CB-CD1 4.29Å; I270-F288 HydrophobicContact CB-CE1 3.88Å; I270-F288 HydrophobicContact CB-CZ 4.16Å; I270-F288 HydrophobicContact CD1-CE1 4.33Å; I270-F288 HydrophobicContact CD1-CE2 4.37Å; I270-F288 HydrophobicContact CD1-CZ 3.8Å; I270-F288 HydrophobicContact CG1-CZ 4.41Å; I270-F288 HydrophobicContact CG2-CE1 3.99Å; I270-F288 HydrophobicContact CG2-CZ 4.47Å; I270-F288 PolarHBondContact N-O 3.06Å; I270-F288 PolarHBondContact O-N 2.96Å; I270-A290 HydrophobicContact CD1-CB 3.7Å; I270-A290 HydrophobicContact CG1-CB 4.1Å |
| 271 | D | 82.6 | Confident | 85 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 109.8 | 174.3 | -178.8 | 12.8 | 0 | 0 | 0 | 109.9 | Y269 Q273 G274 M275 | Y269-D271 HydrophobicContact CD1-CB 4.33Å; Y269-D271 HydrophobicContact CE1-CB 3.84Å; D271-Q273 PolarHBondContact OD1-N 3.45Å; D271-Q273 VanDerWaalsContact OD1-N 3.12Å; D271-G274 PolarHBondContact OD1-N 3.47Å; D271-G274 PolarHBondContact OD2-N 2.98Å; D271-M275 WeakPolarHBondContact O-CE 3.06Å; D271-M275 WeakPolarHBondContact O-CG 3.43Å |
| 272 | L | 82.4 | Confident | 85.2 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -83.1 | -30 | 179.2 | -63.7 | 170 | 0 | 0 | 0 | 111.4 | L27 I270 G274 M275 W277 A278 V282 P285 P286 F288 M326 | L27-L272 HydrophobicContact CD1-CD2 4.41Å; L27-L272 HydrophobicContact CD2-CD2 3.89Å; I270-L272 HydrophobicContact CG2-CD2 4.17Å; L272-G274 VanDerWaalsContact C-N 3.29Å; L272-G274 PolarHBondContact O-N 3.22Å; L272-M275 HydrophobicContact CD2-CE 4.48Å; L272-M275 HydrophobicContact CD2-SD 4.14Å; L272-M275 WeakPolarHBondContact O-CB 3.41Å; L272-M275 PolarHBondContact O-N 2.8Å; L272-M275 VanDerWaalsContact O-N 3.09Å; L272-W277 HydrophobicContact CD2-CH2 4.21Å; L272-W277 HydrophobicContact CD2-CZ2 4.04Å; L272-A278 WeakPolarHBondContact O-CB 3.49Å; L272-V282 HydrophobicContact CD1-CG1 4.42Å; L272-P285 HydrophobicContact CD1-CG 4.43Å; L272-P285 WeakPolarHBondContact CD1-O 3.47Å; L272-P286 WeakPolarHBondContact CA-O 3.2Å; L272-P286 WeakPolarHBondContact CB-O 3.46Å; L272-P286 PolarHBondContact N-O 3.08Å; L272-F288 HydrophobicContact CD1-CD1 4.16Å; L272-F288 HydrophobicContact CD1-CE1 4.29Å; L272-M326 HydrophobicContact CD1-CE 3.74Å |
| 273 | Q | 79.9 | Confident | 85.1 | Confident | 150 Ų | 150 | 57.7 Ų | 57.7 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -33.6 | 176.6 | -71.7 | -172.9 | -20.8 | 0 | 0 | 112.2 | D271 M275 P286 | D271-Q273 PolarHBondContact OD1-N 3.45Å; D271-Q273 VanDerWaalsContact OD1-N 3.12Å; Q273-M275 PolarHBondContact O-N 2.79Å; Q273-P286 VanDerWaalsContact CD-CB 3.44Å; Q273-P286 HydrophobicContact CG-CB 3.7Å; Q273-P286 PolarHBondContact N-O 2.89Å; Q273-P286 VanDerWaalsContact N-O 3.07Å; Q273-P286 VanDerWaalsContact NE2-CB 3.34Å |
| 274 | G | 79.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D271 L272 | D271-G274 PolarHBondContact OD1-N 3.47Å; D271-G274 PolarHBondContact OD2-N 2.98Å; L272-G274 VanDerWaalsContact C-N 3.29Å; L272-G274 PolarHBondContact O-N 3.22Å |
| 275 | M | 85.8 | Confident | 84.8 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | trans | -93.2 | 120.9 | -176.1 | -63.2 | -173.6 | -169.1 | 0 | 0 | 112.3 | I270 D271 L272 Q273 W277 A278 D279 | I270-M275 HydrophobicContact CG2-CE 3.43Å; I270-M275 VanDerWaalsContact CG2-CE 3.43Å; D271-M275 WeakPolarHBondContact O-CE 3.06Å; D271-M275 WeakPolarHBondContact O-CG 3.43Å; L272-M275 HydrophobicContact CD2-CE 4.48Å; L272-M275 HydrophobicContact CD2-SD 4.14Å; L272-M275 WeakPolarHBondContact O-CB 3.41Å; L272-M275 PolarHBondContact O-N 2.8Å; L272-M275 VanDerWaalsContact O-N 3.09Å; Q273-M275 PolarHBondContact O-N 2.79Å; M275-W277 HydrophobicContact CB-CG 4.5Å; M275-W277 PolarHBondContact O-N 2.93Å; M275-W277 VanDerWaalsContact O-N 3.13Å; M275-W277 HydrophobicContact SD-CZ2 3.73Å; M275-W277 PolarHBondContact SD-NE1 2.76Å; M275-A278 HydrophobicContact CB-CB 4.21Å; M275-A278 PolarHBondContact O-N 2.86Å; M275-D279 PolarHBondContact O-N 2.85Å | ||
| 276 | K | 85.8 | Confident | 84.5 | Confident | 200 Ų | 200 | 62.6 Ų | 62.6 | 87% | 0.87 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.9 | 179.6 | -64.2 | -173.5 | 179.9 | -179 | 0 | 114.1 | A278 D279 | K276-A278 VanDerWaalsContact C-N 3.34Å; K276-D279 WeakPolarHBondContact O-CB 3.47Å |
| 277 | W | 88.3 | Confident | 84.4 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -25.1 | -178.4 | 68 | -101.7 | 0 | 0 | 0 | 112.6 | L27 L28 L272 M275 D279 W281 V282 | L27-W277 HydrophobicContact CD2-CH2 3.41Å; L27-W277 VanDerWaalsContact CD2-CH2 3.41Å; L27-W277 HydrophobicContact CD2-CZ2 3.74Å; L28-W277 HydrophobicContact CB-CD2 3.87Å; L28-W277 HydrophobicContact CB-CE3 4.05Å; L28-W277 HydrophobicContact CB-CG 4.39Å; L28-W277 HydrophobicContact CB-CH2 4.37Å; L28-W277 HydrophobicContact CB-CZ2 4.18Å; L28-W277 HydrophobicContact CB-CZ3 4.29Å; L28-W277 HydrophobicContact CD1-CD2 3.93Å; L28-W277 HydrophobicContact CD1-CE3 3.46Å; L28-W277 VanDerWaalsContact CD1-CE3 3.46Å; L28-W277 HydrophobicContact CD1-CG 4.42Å; L28-W277 HydrophobicContact CD1-CZ3 3.97Å; L28-W277 HydrophobicContact CD2-CB 3.99Å; L28-W277 HydrophobicContact CD2-CD2 4.17Å; L28-W277 HydrophobicContact CD2-CG 3.93Å; L28-W277 HydrophobicContact CG-CD2 4.2Å; L28-W277 HydrophobicContact CG-CE3 4.19Å; L28-W277 HydrophobicContact CG-CG 4.48Å; L272-W277 HydrophobicContact CD2-CH2 4.21Å; L272-W277 HydrophobicContact CD2-CZ2 4.04Å; M275-W277 HydrophobicContact CB-CG 4.5Å; M275-W277 PolarHBondContact O-N 2.93Å; M275-W277 VanDerWaalsContact O-N 3.13Å; M275-W277 HydrophobicContact SD-CZ2 3.73Å; M275-W277 PolarHBondContact SD-NE1 2.76Å; W277-D279 VanDerWaalsContact C-N 3.34Å; W277-W281 HydrophobicContact CE3-CZ2 4.06Å; W277-W281 AromaticContact CZ3-CZ2 3.97Å; W277-W281 HydrophobicContact CZ3-CZ2 3.97Å; W277-W281 PolarHBondContact O-NE1 3.25Å; W277-V282 HydrophobicContact CZ3-CG2 4.04Å |
| 278 | A | 84.5 | Confident | 84.4 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L272 M275 K276 N280 V282 | L272-A278 WeakPolarHBondContact O-CB 3.49Å; M275-A278 HydrophobicContact CB-CB 4.21Å; M275-A278 PolarHBondContact O-N 2.86Å; K276-A278 VanDerWaalsContact C-N 3.34Å; A278-N280 PolarHBondContact O-N 2.76Å; A278-V282 HydrophobicContact CB-CB 4.14Å; A278-V282 HydrophobicContact CB-CG2 3.86Å; A278-V282 PolarHBondContact O-N 3.18Å; A278-V282 VanDerWaalsContact O-N 3.14Å |
| 279 | D | 82.9 | Confident | 84.4 | Confident | 94 Ų | 94 | 54.7 Ų | 54.7 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 135.5 | -174.6 | -166.8 | 27.3 | 0 | 0 | 0 | 111.7 | M275 K276 W277 W281 | M275-D279 PolarHBondContact O-N 2.85Å; K276-D279 WeakPolarHBondContact O-CB 3.47Å; W277-D279 VanDerWaalsContact C-N 3.34Å; D279-W281 PolarHBondContact O-N 3.11Å; D279-W281 VanDerWaalsContact O-N 3.1Å |
| 280 | N | 81.8 | Confident | 84.4 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -5.3 | 175.9 | -49.1 | -61.9 | 0 | 0 | 0 | 118.3 | L43 M48 A278 | L43-N280 HydrophobicContact CB-CB 4.32Å; L43-N280 WeakPolarHBondContact CD1-O 3.31Å; M48-N280 HydrophobicContact CG-CB 4.39Å; M48-N280 WeakPolarHBondContact SD-CA 3.49Å; M48-N280 HydrophobicContact SD-CB 3.48Å; M48-N280 WeakPolarHBondContact SD-CB 3.49Å; M48-N280 PolarHBondContact SD-OD1 3.11Å; M48-N280 VanDerWaalsContact SD-OD1 3.38Å; A278-N280 PolarHBondContact O-N 2.76Å |
| 281 | W | 87.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | -24.1 | 179.8 | 78.7 | -74.1 | 0 | 0 | 0 | 115.2 | L28 L31 L32 L35 A40 P41 L43 W277 D279 L283 V328 S329 | L28-W281 HydrophobicContact CD1-CZ2 4.31Å; L31-W281 HydrophobicContact CD2-CH2 2.95Å; L31-W281 HydrophobicContact CD2-CZ2 3.79Å; L31-W281 HydrophobicContact CD2-CZ3 3.44Å; L31-W281 VanDerWaalsContact CD2-CZ3 3.44Å; L31-W281 HydrophobicContact CG-CH2 4.43Å; L32-W281 HydrophobicContact CD2-CH2 4.45Å; L35-W281 HydrophobicContact CD1-CH2 4.24Å; L35-W281 HydrophobicContact CD1-CZ3 3.71Å; A40-W281 HydrophobicContact CB-CZ2 4.04Å; P41-W281 HydrophobicContact CG-CD2 4.16Å; P41-W281 HydrophobicContact CG-CE3 3.78Å; P41-W281 HydrophobicContact CG-CH2 4.48Å; P41-W281 HydrophobicContact CG-CZ3 3.96Å; L43-W281 HydrophobicContact CD1-CB 3.65Å; L43-W281 HydrophobicContact CG-CB 4.19Å; W277-W281 HydrophobicContact CE3-CZ2 4.06Å; W277-W281 AromaticContact CZ3-CZ2 3.97Å; W277-W281 HydrophobicContact CZ3-CZ2 3.97Å; W277-W281 PolarHBondContact O-NE1 3.25Å; D279-W281 PolarHBondContact O-N 3.11Å; D279-W281 VanDerWaalsContact O-N 3.1Å; W281-L283 PolarHBondContact O-N 3.19Å; W281-V328 HydrophobicContact CE3-CB 3.96Å; W281-V328 HydrophobicContact CE3-CG1 4.29Å; W281-V328 HydrophobicContact CZ3-CB 4.2Å; W281-V328 HydrophobicContact CZ3-CG1 4.3Å; W281-V328 CarbonylContact O-C 3.55Å; W281-V328 VanDerWaalsContact O-CA 3.26Å; W281-V328 WeakPolarHBondContact O-CA 3.35Å; W281-S329 PolarHBondContact O-N 3.47Å |
| 282 | V | 88.3 | Confident | 84.9 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 110.6 | 167 | -179.3 | 0 | 0 | 0 | 0 | 108 | L272 W277 A278 M326 V328 | L272-V282 HydrophobicContact CD1-CG1 4.42Å; W277-V282 HydrophobicContact CZ3-CG2 4.04Å; A278-V282 HydrophobicContact CB-CB 4.14Å; A278-V282 HydrophobicContact CB-CG2 3.86Å; A278-V282 PolarHBondContact O-N 3.18Å; A278-V282 VanDerWaalsContact O-N 3.14Å; V282-M326 HydrophobicContact CG1-CE 3.54Å; V282-M326 HydrophobicContact CG2-CE 4.36Å; V282-V328 HydrophobicContact CG2-CG1 4.42Å |
| 283 | L | 86.8 | Confident | 85.3 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -41.3 | -175.8 | -53.4 | -179.7 | 0 | 0 | 0 | 112 | M48 L51 I53 W281 I327 P338 | M48-L283 HydrophobicContact CE-CD2 4.41Å; L51-L283 HydrophobicContact CD2-CD1 3.66Å; L51-L283 HydrophobicContact CD2-CD2 3.82Å; L51-L283 HydrophobicContact CD2-CG 4.35Å; L51-L283 HydrophobicContact CG-CD1 4.49Å; I53-L283 HydrophobicContact CD1-CB 4.19Å; I53-L283 HydrophobicContact CD1-CD1 3.97Å; I53-L283 HydrophobicContact CG1-CD1 3.86Å; W281-L283 PolarHBondContact O-N 3.19Å; L283-I327 HydrophobicContact CB-CB 4.33Å; L283-I327 HydrophobicContact CB-CG2 4.24Å; L283-I327 HydrophobicContact CD1-CG2 4.04Å; L283-I327 PolarHBondContact N-O 2.78Å; L283-P338 HydrophobicContact CD1-CB 4.04Å |
| 284 | E | 85.8 | Confident | 85.8 | Confident | 75 Ų | 75 | 43 Ų | 43 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 146 | -179.7 | -69.2 | -69 | 176.5 | 0 | 0 | 110.9 | Y61 P286 M326 I327 | Y61-E284 HydrophobicContact CE2-CB 4.33Å; E284-P286 WeakPolarHBondContact OE2-CD 3.39Å; E284-M326 CarbonylContact O-C 3.46Å; E284-M326 WeakPolarHBondContact O-CA 3.4Å; E284-I327 HydrophobicContact CB-CB 4.03Å; E284-I327 HydrophobicContact CB-CD1 4.07Å; E284-I327 HydrophobicContact CB-CG1 3.99Å; E284-I327 HydrophobicContact CG-CD1 4.08Å; E284-I327 PolarHBondContact N-O 2.88Å; E284-I327 PolarHBondContact O-N 2.81Å |
| 285 | P | 89.1 | Confident | 86.3 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | cis | -77.8 | 163.1 | -11.9 | 34.3 | -34.3 | 0 | 0 | 0 | 111.8 | L272 G287 F288 L324 | L272-P285 HydrophobicContact CD1-CG 4.43Å; L272-P285 WeakPolarHBondContact CD1-O 3.47Å; P285-G287 PolarHBondContact O-N 2.77Å; P285-F288 HydrophobicContact CG-CB 4.47Å; P285-L324 HydrophobicContact CG-CD1 4.3Å | ||
| 286 | P | 82.1 | Confident | 86.5 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -67.7 | -24 | 172.6 | 28.7 | -36.9 | 0 | 0 | 0 | 113.3 | L272 Q273 E284 | L272-P286 WeakPolarHBondContact CA-O 3.2Å; L272-P286 WeakPolarHBondContact CB-O 3.46Å; L272-P286 PolarHBondContact N-O 3.08Å; Q273-P286 VanDerWaalsContact CD-CB 3.44Å; Q273-P286 HydrophobicContact CG-CB 3.7Å; Q273-P286 PolarHBondContact N-O 2.89Å; Q273-P286 VanDerWaalsContact N-O 3.07Å; Q273-P286 VanDerWaalsContact NE2-CB 3.34Å; E284-P286 WeakPolarHBondContact OE2-CD 3.39Å |
| 287 | G | 83.9 | Confident | 86.6 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 169.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y269 I270 P285 | Y269-G287 WeakPolarHBondContact OH-CA 3.43Å; I270-G287 CarbonylContact O-C 3.58Å; I270-G287 WeakPolarHBondContact O-CA 3.47Å; P285-G287 PolarHBondContact O-N 2.77Å |
| 288 | F | 83.9 | Confident | 86.5 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 159.2 | -175.7 | 70.4 | -78.7 | 0 | 0 | 0 | 113 | L27 Y269 I270 L272 P285 A290 L324 | L27-F288 HydrophobicContact CD1-CE1 3.59Å; L27-F288 HydrophobicContact CD1-CZ 3.55Å; Y269-F288 WeakPolarHBondContact CD2-O 3.46Å; I270-F288 HydrophobicContact CB-CD1 4.29Å; I270-F288 HydrophobicContact CB-CE1 3.88Å; I270-F288 HydrophobicContact CB-CZ 4.16Å; I270-F288 HydrophobicContact CD1-CE1 4.33Å; I270-F288 HydrophobicContact CD1-CE2 4.37Å; I270-F288 HydrophobicContact CD1-CZ 3.8Å; I270-F288 HydrophobicContact CG1-CZ 4.41Å; I270-F288 HydrophobicContact CG2-CE1 3.99Å; I270-F288 HydrophobicContact CG2-CZ 4.47Å; I270-F288 PolarHBondContact N-O 3.06Å; I270-F288 PolarHBondContact O-N 2.96Å; L272-F288 HydrophobicContact CD1-CD1 4.16Å; L272-F288 HydrophobicContact CD1-CE1 4.29Å; P285-F288 HydrophobicContact CG-CB 4.47Å; F288-A290 HydrophobicContact CD2-CB 4.3Å; F288-A290 HydrophobicContact CE2-CB 3.67Å; F288-A290 HydrophobicContact CZ-CB 4.35Å; F288-L324 HydrophobicContact CB-CD1 4.16Å; F288-L324 HydrophobicContact CD1-CD1 4.28Å; F288-L324 HydrophobicContact CD1-CD2 3.67Å; F288-L324 HydrophobicContact CD2-CD1 4.03Å; F288-L324 HydrophobicContact CD2-CD2 4.1Å; F288-L324 HydrophobicContact CE1-CD2 3.43Å; F288-L324 VanDerWaalsContact CE1-CD2 3.43Å; F288-L324 HydrophobicContact CE2-CD2 3.87Å; F288-L324 HydrophobicContact CG-CD1 3.89Å; F288-L324 HydrophobicContact CG-CD2 4.01Å; F288-L324 HydrophobicContact CZ-CD2 3.54Å |
| 289 | L | 83.4 | Confident | 86.5 | Confident | 63 Ų | 63 | 41 Ų | 41 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 111.6 | 170.9 | -66.7 | 168.7 | 0 | 0 | 0 | 109.7 | M268 Y269 Y291 R347 | M268-L289 CarbonylContact O-C 3.57Å; M268-L289 WeakPolarHBondContact O-CA 3.48Å; Y269-L289 HydrophobicContact CD2-CD2 3.97Å; Y269-L289 HydrophobicContact CD2-CG 4.29Å; L289-Y291 HydrophobicContact CB-CD2 4.04Å; L289-Y291 HydrophobicContact CB-CE2 3.49Å; L289-Y291 VanDerWaalsContact CB-CE2 3.49Å; L289-Y291 HydrophobicContact CD1-CE2 4.38Å; L289-R347 WeakPolarHBondContact O-CD 3.44Å; L289-R347 WeakPolarHBondContact O-CG 3.46Å |
| 290 | A | 84.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | trans | -85.5 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M268 I270 F288 R347 V348 | M268-A290 PolarHBondContact O-N 3.03Å; I270-A290 HydrophobicContact CD1-CB 3.7Å; I270-A290 HydrophobicContact CG1-CB 4.1Å; F288-A290 HydrophobicContact CD2-CB 4.3Å; F288-A290 HydrophobicContact CE2-CB 3.67Å; F288-A290 HydrophobicContact CZ-CB 4.35Å; A290-R347 CarbonylContact O-C 3.59Å; A290-R347 WeakPolarHBondContact O-CA 3.2Å; A290-V348 PolarHBondContact O-N 3.21Å | ||
| 291 | Y | 87.4 | Confident | 85.8 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | trans | 59.2 | 155.5 | -170 | -55.2 | -101.4 | 0 | 0 | 0 | 113.8 | R265 Q266 E267 M268 L289 R347 V348 | R265-Y291 HydrophobicContact CG-CD1 3.88Å; R265-Y291 HydrophobicContact CG-CG 4.12Å; Q266-Y291 CarbonylContact O-C 3.46Å; Q266-Y291 WeakPolarHBondContact O-CA 3.49Å; Q266-Y291 WeakPolarHBondContact O-CB 2.99Å; E267-Y291 HydrophobicContact CB-CD1 4.41Å; E267-Y291 HydrophobicContact CB-CE1 4.41Å; E267-Y291 HydrophobicContact CG-CD1 4.08Å; E267-Y291 HydrophobicContact CG-CE1 3.74Å; M268-Y291 PolarHBondContact O-N 2.94Å; L289-Y291 HydrophobicContact CB-CD2 4.04Å; L289-Y291 HydrophobicContact CB-CE2 3.49Å; L289-Y291 VanDerWaalsContact CB-CE2 3.49Å; L289-Y291 HydrophobicContact CD1-CE2 4.38Å; Y291-R347 HydrophobicContact CD2-CG 4.02Å; Y291-R347 HydrophobicContact CE2-CG 4.41Å; Y291-V348 WeakPolarHBondContact O-CG2 3.47Å | ||
| 292 | E | 88.7 | Confident | 84.7 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147 | 177.3 | -176.8 | 171.3 | -149.2 | 0 | 0 | 110.8 | A21 R265 Q266 M268 V294 | A21-E292 WeakPolarHBondContact CA-OE1 3.15Å; A21-E292 WeakPolarHBondContact CB-OE1 3.05Å; A21-E292 PolarHBondContact N-OE1 3.02Å; A21-E292 VanDerWaalsContact N-OE1 3.11Å; R265-E292 CarbonylContact C-O 3.59Å; R265-E292 WeakPolarHBondContact CA-O 3.49Å; Q266-E292 PolarHBondContact N-O 3.46Å; Q266-E292 PolarHBondContact O-N 2.93Å; M268-E292 HydrophobicContact CE-CB 3.81Å; M268-E292 HydrophobicContact CE-CG 4.35Å; M268-E292 WeakPolarHBondContact CE-OE2 3.08Å; E292-V294 HydrophobicContact CB-CG1 4.43Å; E292-V294 HydrophobicContact CG-CG1 3.98Å |
| 293 | C | 90.4 | Very high | 83.3 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.8 | 171.5 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | V348 C351 | C293-V348 VanDerWaalsContact SG-CG1 3.59Å; C293-C351 WeakPolarHBondContact CA-SG 3.43Å; C293-C351 HydrophobicContact CB-CB 3.87Å; C293-C351 WeakPolarHBondContact CB-SG 3.1Å; C293-C351 VanDerWaalsContact SG-CA 3.53Å; C293-C351 WeakPolarHBondContact SG-CB 3.4Å; C293-C351 CovalentContact SG-SG 2.03Å; C293-C351 PolarHBondContact SG-SG 3.12Å |
| 294 | V | 90.6 | Very high | 81.8 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 13% | 0.127 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 164.9 | -176.8 | -59 | 0 | 0 | 0 | 0 | 111.1 | C251 V257 C263 C264 Q266 E292 C316 | C251-V294 VanDerWaalsContact SG-CG2 3.54Å; V257-V294 HydrophobicContact CG1-CB 4.28Å; V257-V294 HydrophobicContact CG1-CG2 4.1Å; V257-V294 HydrophobicContact CG2-CG2 3.98Å; C263-V294 CarbonylContact C-O 3.59Å; C263-V294 VanDerWaalsContact CA-O 3.29Å; C263-V294 WeakPolarHBondContact CA-O 2.99Å; C264-V294 PolarHBondContact N-O 3.34Å; C264-V294 PolarHBondContact O-N 3.44Å; Q266-V294 HydrophobicContact CB-CG1 4.32Å; Q266-V294 HydrophobicContact CB-CG2 3.84Å; E292-V294 HydrophobicContact CB-CG1 4.43Å; E292-V294 HydrophobicContact CG-CG1 3.98Å; V294-C316 PolarHBondContact O-SG 2.8Å |
| 295 | G | 90.3 | Very high | 80.3 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 92 | -172.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | T261 | T261-G295 CarbonylContact O-C 3.5Å; T261-G295 VanDerWaalsContact O-CA 3.31Å; T261-G295 WeakPolarHBondContact O-CA 3.28Å |
| 296 | T | 90.2 | Very high | 78.7 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -116.9 | 158.4 | -172.3 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | E259 T261 C263 | E259-T296 PolarHBondContact O-OG1 3.38Å; E259-T296 VanDerWaalsContact O-OG1 3.13Å; T261-T296 PolarHBondContact O-N 2.91Å; C263-T296 PolarHBondContact N-O 2.84Å |
| 297 | C | 88.8 | Confident | 77.1 | Confident | 15 Ų | 15 | 58 Ų | 58 | 10% | 0.101 | 32% | 0.32 | C | S | . | . | trans | -110.8 | 130.6 | 178.9 | -71.9 | 0 | 0 | 0 | 0 | 110.3 | Q299 R314 Q315 C316 C353 | C297-Q299 PolarHBondContact O-N 2.93Å; C297-Q299 PolarHBondContact O-NE2 3.05Å; C297-R314 HydrophobicContact CB-CB 4.09Å; C297-Q315 VanDerWaalsContact SG-C 3.52Å; C297-C316 PolarHBondContact SG-N 3.1Å; C297-C353 VanDerWaalsContact CA-SG 3.6Å; C297-C353 HydrophobicContact CB-CB 3.66Å; C297-C353 WeakPolarHBondContact CB-SG 3.28Å; C297-C353 WeakPolarHBondContact SG-CA 3.46Å; C297-C353 WeakPolarHBondContact SG-CB 3.49Å; C297-C353 CovalentContact SG-SG 2.03Å; C297-C353 PolarHBondContact SG-SG 2.77Å | ||
| 298 | Q | 86.8 | Confident | 75.6 | Confident | 92 Ų | 92 | 63.6 Ų | 63.6 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 133.5 | 173.3 | -64.9 | -170 | 11.2 | 0 | 0 | 110 | Y245 | Y245-Q298 HydrophobicContact CD1-CB 3.96Å; Y245-Q298 HydrophobicContact CE1-CB 4.31Å |
| 299 | Q | 84.5 | Confident | 74 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 142.1 | 177.2 | -58.3 | -54.7 | -53.4 | 0 | 0 | 109.7 | C297 R314 | C297-Q299 PolarHBondContact O-N 2.93Å; C297-Q299 PolarHBondContact O-NE2 3.05Å; Q299-R314 PolarHBondContact NE2-O 3.04Å |
| 300 | P | 76.2 | Confident | 72.7 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 153.7 | 176.6 | 26.4 | -33.2 | 0 | 0 | 0 | 111 | L240 | L240-P300 HydrophobicContact CD1-CB 4.12Å; L240-P300 HydrophobicContact CD2-CB 4.22Å |
| 301 | P | 72.7 | Confident | 71.7 | Confident | 60 Ų | 60 | 76.5 Ų | 76.5 | 39% | 0.39 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 143.3 | 173 | -23.9 | 32.8 | 0 | 0 | 0 | 111.7 | A303 L304 A305 | P301-A303 PolarHBondContact O-N 3.42Å; P301-L304 CarbonylContact O-C 3.4Å; P301-L304 WeakPolarHBondContact O-CA 3.23Å; P301-L304 PolarHBondContact O-N 2.89Å; P301-A305 PolarHBondContact O-N 2.74Å |
| 302 | E | 64.9 | Low | 70.9 | Confident | 175 Ų | 175 | 75.8 Ų | 75.8 | 82% | 0.818 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.2 | -175.1 | -132.7 | 176.5 | -176.1 | 0 | 0 | 113.7 | L304 A305 | E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 2.82Å; E302-A305 PolarHBondContact O-N 2.89Å |
| 303 | A | 58.2 | Low | 70.6 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 80% | 0.802 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -21.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P301 | P301-A303 PolarHBondContact O-N 3.42Š|
| 304 | L | 56.3 | Low | 70.3 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 19% | 0.194 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -8.6 | 177.7 | -60.1 | 179 | 0 | 0 | 0 | 112.3 | V114 H238 P301 E302 F306 | V114-L304 WeakPolarHBondContact CG1-O 3.37Å; H238-L304 HydrophobicContact CB-CD2 3.8Å; P301-L304 CarbonylContact O-C 3.4Å; P301-L304 WeakPolarHBondContact O-CA 3.23Å; P301-L304 PolarHBondContact O-N 2.89Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 2.82Å; L304-F306 VanDerWaalsContact C-N 3.32Å; L304-F306 PolarHBondContact O-N 2.7Å |
| 305 | A | 53.6 | Low | 70.1 | Confident | 41 Ų | 41 | 79.4 Ų | 79.4 | 34% | 0.339 | 43% | 0.431 | S | S | . | . | trans | -67.6 | 92.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | P301 E302 K307 | P301-A305 PolarHBondContact O-N 2.74Å; E302-A305 PolarHBondContact O-N 2.89Å; A305-K307 PolarHBondContact O-N 3.05Å | ||
| 306 | F | 54.8 | Low | 70.1 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | trans | -58.3 | 112.1 | 172.7 | -148.4 | -71.6 | 0 | 0 | 0 | 107.7 | Q115 D179 L304 W308 | Q115-F306 HydrophobicContact CG-CD2 4.16Å; Q115-F306 HydrophobicContact CG-CE2 4.2Å; D179-F306 WeakPolarHBondContact OD2-CE2 3.3Å; D179-F306 WeakPolarHBondContact OD2-CZ 2.96Å; L304-F306 VanDerWaalsContact C-N 3.32Å; L304-F306 PolarHBondContact O-N 2.7Å; F306-W308 HydrophobicContact CD1-CB 4.4Å; F306-W308 AromaticContact CD1-CD1 2.99Å; F306-W308 HydrophobicContact CD1-CD2 4.03Å; F306-W308 AromaticContact CD1-CE2 3.73Å; F306-W308 AromaticContact CD1-CG 3.59Å; F306-W308 HydrophobicContact CD1-CG 3.59Å; F306-W308 AromaticContact CD1-NE1 3.05Å; F306-W308 AromaticContact CE1-CD1 3.54Å; F306-W308 AromaticContact CE1-CD2 3.89Å; F306-W308 HydrophobicContact CE1-CD2 3.89Å; F306-W308 AromaticContact CE1-CE2 3.34Å; F306-W308 AromaticContact CE1-CG 3.97Å; F306-W308 HydrophobicContact CE1-CG 3.97Å; F306-W308 AromaticContact CE1-CZ2 3.85Å; F306-W308 HydrophobicContact CE1-CZ2 3.85Å; F306-W308 AromaticContact CE1-NE1 3.1Å; F306-W308 AromaticContact CG-CD1 3.61Å; F306-W308 AromaticContact CG-NE1 3.66Å; F306-W308 HydrophobicContact CZ-CZ2 4.2Å; F306-W308 AromaticContact CZ-NE1 3.77Å; F306-W308 PolarHBondContact O-N 3.43Å | ||
| 307 | K | 50.3 | Low | 70.1 | Confident | 190 Ų | 190 | 77.1 Ų | 77.1 | 83% | 0.826 | 41% | 0.41 | S | S | * | . | trans | -73.4 | 58.9 | 173.3 | -67.5 | -176.1 | -180 | -178.7 | 0 | 109.7 | A305 P309 | A305-K307 PolarHBondContact O-N 3.05Å; K307-P309 WeakPolarHBondContact O-CD 3.05Å | ||
| 308 | W | 50.7 | Low | 70.1 | Confident | 129 Ų | 129 | 78.6 Ų | 78.6 | 49% | 0.489 | 42% | 0.423 | S | S | . | . | trans | -65.3 | 122.8 | 158.8 | -79.3 | 108.1 | 0 | 0 | 0 | 105.5 | F306 F310 L311 | F306-W308 HydrophobicContact CD1-CB 4.4Å; F306-W308 AromaticContact CD1-CD1 2.99Å; F306-W308 HydrophobicContact CD1-CD2 4.03Å; F306-W308 AromaticContact CD1-CE2 3.73Å; F306-W308 AromaticContact CD1-CG 3.59Å; F306-W308 HydrophobicContact CD1-CG 3.59Å; F306-W308 AromaticContact CD1-NE1 3.05Å; F306-W308 AromaticContact CE1-CD1 3.54Å; F306-W308 AromaticContact CE1-CD2 3.89Å; F306-W308 HydrophobicContact CE1-CD2 3.89Å; F306-W308 AromaticContact CE1-CE2 3.34Å; F306-W308 AromaticContact CE1-CG 3.97Å; F306-W308 HydrophobicContact CE1-CG 3.97Å; F306-W308 AromaticContact CE1-CZ2 3.85Å; F306-W308 HydrophobicContact CE1-CZ2 3.85Å; F306-W308 AromaticContact CE1-NE1 3.1Å; F306-W308 AromaticContact CG-CD1 3.61Å; F306-W308 AromaticContact CG-NE1 3.66Å; F306-W308 HydrophobicContact CZ-CZ2 4.2Å; F306-W308 AromaticContact CZ-NE1 3.77Å; F306-W308 PolarHBondContact O-N 3.43Å; W308-F310 PolarHBondContact O-N 2.84Å; W308-L311 HydrophobicContact CB-CB 4.32Å; W308-L311 HydrophobicContact CB-CD1 3.82Å; W308-L311 HydrophobicContact CB-CG 3.88Å; W308-L311 HydrophobicContact CG-CD1 4.06Å; W308-L311 PolarHBondContact O-N 3.48Å | ||
| 309 | P | 51.8 | Low | 70 | Confident | 106 Ų | 106 | 76.1 Ų | 76.1 | 69% | 0.688 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -1.1 | -172.9 | 20.7 | -29.8 | 0 | 0 | 0 | 114.5 | K307 | K307-P309 WeakPolarHBondContact O-CD 3.05Š|
| 310 | F | 55.4 | Low | 70.1 | Confident | 176 Ų | 176 | 76 Ų | 76 | 77% | 0.772 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -4.6 | -174.9 | -49.2 | -66.8 | 0 | 0 | 0 | 114.6 | W308 | W308-F310 PolarHBondContact O-N 2.84Š|
| 311 | L | 63.4 | Low | 70.5 | Confident | 72 Ų | 72 | 77.4 Ų | 77.4 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | trans | -90 | 116.8 | 179.5 | -69.9 | 177.7 | 0 | 0 | 0 | 110 | W308 D356 A358 | W308-L311 HydrophobicContact CB-CB 4.32Å; W308-L311 HydrophobicContact CB-CD1 3.82Å; W308-L311 HydrophobicContact CB-CG 3.88Å; W308-L311 HydrophobicContact CG-CD1 4.06Å; W308-L311 PolarHBondContact O-N 3.48Å; L311-D356 WeakPolarHBondContact CA-O 3.2Å; L311-A358 HydrophobicContact CD2-CB 4.34Å | ||
| 312 | G | 71 | Confident | 71.1 | Confident | 27 Ų | 27 | 75 Ų | 75 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | trans | -78.2 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D356 | G312-D356 PolarHBondContact N-O 2.91Å; G312-D356 VanDerWaalsContact N-O 3.08Å | ||
| 313 | P | 81.2 | Confident | 72.3 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | trans | -59.9 | 153.7 | 175.9 | 27.4 | -34.6 | 0 | 0 | 0 | 111.1 | Q315 D356 | P313-Q315 PolarHBondContact O-N 2.87Å; P313-D356 PolarHBondContact O-N 2.78Å | ||
| 314 | R | 84 | Confident | 73.8 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 129.5 | 175 | -66.2 | 176.8 | 71.6 | 94.8 | -10.8 | 110.4 | E112 C297 Q299 C353 A354 S355 | E112-R314 IonicContact OE1-CZ 3.68Å; E112-R314 IonicContact OE1-NH1 3.72Å; E112-R314 PolarHBondContact OE1-NH1 3.37Å; E112-R314 IonicContact OE1-NH2 3.69Å; E112-R314 IonicContact OE2-CZ 2.69Å; E112-R314 IonicContact OE2-NH1 3.47Å; E112-R314 PolarHBondContact OE2-NH1 3.08Å; E112-R314 IonicContact OE2-NH2 3.61Å; E112-R314 PolarHBondContact OE2-NH2 3.22Å; C297-R314 HydrophobicContact CB-CB 4.09Å; Q299-R314 PolarHBondContact NE2-O 3.04Å; R314-C353 PolarHBondContact NH2-O 3.23Å; R314-A354 CarbonylContact C-O 3.55Å; R314-A354 VanDerWaalsContact CA-O 3.3Å; R314-A354 WeakPolarHBondContact CA-O 3.04Å; R314-S355 WeakPolarHBondContact CG-OG 3.28Å |
| 315 | Q | 88.1 | Confident | 75.5 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 153.4 | 179.8 | -63.7 | 178 | 16 | 0 | 0 | 110.6 | C297 P313 I317 C353 A354 | C297-Q315 VanDerWaalsContact SG-C 3.52Å; P313-Q315 PolarHBondContact O-N 2.87Å; Q315-I317 HydrophobicContact CB-CG2 4.29Å; Q315-I317 PolarHBondContact O-N 3.47Å; Q315-C353 WeakPolarHBondContact O-CA 3.23Å; Q315-A354 PolarHBondContact N-O 3.24Å; Q315-A354 PolarHBondContact O-N 2.85Å; Q315-A354 VanDerWaalsContact O-N 3.09Å |
| 316 | C | 89.8 | Confident | 77.2 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 113.4 | 174.3 | -173 | 0 | 0 | 0 | 0 | 108.7 | C263 V294 C297 | C263-C316 VanDerWaalsContact CA-SG 3.53Å; C263-C316 HydrophobicContact CB-CB 3.68Å; C263-C316 WeakPolarHBondContact CB-SG 3.31Å; C263-C316 VanDerWaalsContact SG-CA 3.55Å; C263-C316 WeakPolarHBondContact SG-CB 3.46Å; C263-C316 CovalentContact SG-SG 2.03Å; C263-C316 PolarHBondContact SG-SG 2.85Å; V294-C316 PolarHBondContact O-SG 2.8Å; C297-C316 PolarHBondContact SG-N 3.1Å |
| 317 | I | 89.1 | Confident | 78.9 | Confident | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.185 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.7 | -175.7 | 64.7 | 163.4 | 0 | 0 | 0 | 111.6 | P18 Q315 S319 C351 S352 A354 V360 | P18-I317 HydrophobicContact CB-CG2 4.26Å; Q315-I317 HydrophobicContact CB-CG2 4.29Å; Q315-I317 PolarHBondContact O-N 3.47Å; I317-S319 PolarHBondContact O-N 3.38Å; I317-C351 CarbonylContact O-C 3.58Å; I317-C351 WeakPolarHBondContact O-CA 3.38Å; I317-S352 PolarHBondContact N-O 3.33Å; I317-S352 PolarHBondContact O-N 3.43Å; I317-A354 HydrophobicContact CD1-CB 3.68Å; I317-A354 HydrophobicContact CG1-CB 4.11Å; I317-V360 HydrophobicContact CD1-CG2 4.38Å |
| 318 | A | 89.1 | Confident | 80.8 | Confident | 46 Ų | 46 | 49 Ų | 49 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 109.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | T321 V348 | A318-T321 HydrophobicContact CB-CG2 3.95Å; A318-V348 HydrophobicContact CB-CG1 4.02Å; A318-V348 HydrophobicContact CB-CG2 4.04Å |
| 319 | S | 85.3 | Confident | 82.7 | Confident | 40 Ų | 40 | 42.9 Ų | 42.9 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -31.8 | 179.3 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | I317 K350 S352 | I317-S319 PolarHBondContact O-N 3.38Å; S319-K350 PolarHBondContact N-O 2.95Å; S319-K350 WeakPolarHBondContact OG-CB 3.41Å; S319-K350 PolarHBondContact OG-O 2.95Å; S319-S352 VanDerWaalsContact CB-OG 3.3Å; S319-S352 WeakPolarHBondContact CB-OG 3.45Å |
| 320 | E | 85.8 | Confident | 84.4 | Confident | 88 Ų | 88 | 39.2 Ų | 39.2 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 130.9 | 177.9 | -60.1 | 177.8 | -150.8 | 0 | 0 | 109 | Q349 K350 | E320-Q349 HydrophobicContact CB-CB 4.02Å; E320-Q349 WeakPolarHBondContact O-CA 3.46Å; E320-Q349 WeakPolarHBondContact O-CB 3.41Å; E320-Q349 PolarHBondContact O-N 3.33Å; E320-K350 HydrophobicContact CB-CB 3.85Å; E320-K350 HydrophobicContact CG-CB 4.08Å; E320-K350 HydrophobicContact CG-CD 4.38Å; E320-K350 PolarHBondContact N-O 3.41Å; E320-K350 PolarHBondContact O-N 3.5Å; E320-K350 VanDerWaalsContact O-N 3.15Å; E320-K350 WeakPolarHBondContact OE1-CD 3.43Å; E320-K350 IonicContact OE1-NZ 2.68Å |
| 321 | T | 85.5 | Confident | 85.7 | Confident | 58 Ų | 58 | 35.5 Ų | 35.5 | 36% | 0.356 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 152.8 | 179 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | A318 N345 R347 | A318-T321 HydrophobicContact CB-CG2 3.95Å; T321-N345 PolarHBondContact OG1-OD1 2.97Å; T321-R347 CarbonylContact C-O 3.53Å; T321-R347 VanDerWaalsContact CA-O 3.24Å; T321-R347 WeakPolarHBondContact CA-O 3.35Å |
| 322 | A | 85.9 | Confident | 86.4 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 152.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | M346 R347 Q349 | A322-M346 PolarHBondContact O-N 3.12Å; A322-M346 VanDerWaalsContact O-N 3.08Å; A322-R347 HydrophobicContact CB-CB 4.42Å; A322-R347 PolarHBondContact N-O 3.26Å; A322-R347 PolarHBondContact O-N 2.89Å; A322-R347 VanDerWaalsContact O-N 3.11Å; A322-Q349 HydrophobicContact CB-CG 3.79Å |
| 323 | S | 89.8 | Confident | 86.3 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 147.2 | 173.1 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | S68 P325 S342 L343 | S68-S323 VanDerWaalsContact CB-O 3.27Å; S68-S323 WeakPolarHBondContact CB-O 3.33Å; S323-P325 WeakPolarHBondContact O-CD 3.35Å; S323-S342 PolarHBondContact OG-OG 3.01Å; S323-L343 CarbonylContact C-O 3.47Å; S323-L343 WeakPolarHBondContact CA-O 3.45Å; S323-L343 VanDerWaalsContact CB-O 3.26Å; S323-L343 WeakPolarHBondContact CB-O 3.36Å |
| 324 | L | 89.8 | Confident | 86 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 110.3 | 174 | 178.3 | 69.2 | 0 | 0 | 0 | 109.7 | L27 P285 F288 M326 S342 L343 M346 | L27-L324 HydrophobicContact CD1-CD2 4.41Å; P285-L324 HydrophobicContact CG-CD1 4.3Å; F288-L324 HydrophobicContact CB-CD1 4.16Å; F288-L324 HydrophobicContact CD1-CD1 4.28Å; F288-L324 HydrophobicContact CD1-CD2 3.67Å; F288-L324 HydrophobicContact CD2-CD1 4.03Å; F288-L324 HydrophobicContact CD2-CD2 4.1Å; F288-L324 HydrophobicContact CE1-CD2 3.43Å; F288-L324 VanDerWaalsContact CE1-CD2 3.43Å; F288-L324 HydrophobicContact CE2-CD2 3.87Å; F288-L324 HydrophobicContact CG-CD1 3.89Å; F288-L324 HydrophobicContact CG-CD2 4.01Å; F288-L324 HydrophobicContact CZ-CD2 3.54Å; L324-M326 HydrophobicContact CD2-CG 4.05Å; L324-M326 HydrophobicContact CD2-SD 3.93Å; L324-M326 HydrophobicContact CG-CG 3.97Å; L324-M326 HydrophobicContact CG-SD 4.46Å; L324-S342 WeakPolarHBondContact O-CA 3.31Å; L324-L343 PolarHBondContact N-O 3.11Å; L324-L343 PolarHBondContact O-N 2.76Å; L324-M346 HydrophobicContact CB-CB 3.51Å; L324-M346 HydrophobicContact CB-CG 3.92Å; L324-M346 HydrophobicContact CD2-CB 4.35Å |
| 325 | P | 90.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.6 | 167.5 | 30.9 | -32.1 | 0 | 0 | 0 | 110.3 | Y61 L64 L65 S323 V341 | Y61-P325 HydrophobicContact CD2-CB 4.01Å; Y61-P325 HydrophobicContact CD2-CG 4.46Å; Y61-P325 HydrophobicContact CE2-CB 4.11Å; Y61-P325 HydrophobicContact CE2-CG 4.2Å; Y61-P325 WeakPolarHBondContact CE2-O 3.43Å; L64-P325 HydrophobicContact CB-CB 3.72Å; L64-P325 HydrophobicContact CB-CG 4.08Å; L64-P325 HydrophobicContact CD1-CB 4.21Å; L65-P325 HydrophobicContact CB-CG 4.27Å; L65-P325 HydrophobicContact CD1-CG 4.16Å; S323-P325 WeakPolarHBondContact O-CD 3.35Å; P325-V341 CarbonylContact C-O 3.54Å; P325-V341 WeakPolarHBondContact CA-O 3.47Å |
| 326 | M | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.8 | 178.4 | -59.3 | -177.3 | 67.5 | 0 | 0 | 109.6 | L27 L31 L272 V282 E284 L324 V328 V340 V341 L343 | L27-M326 HydrophobicContact CD2-CE 4.27Å; L27-M326 HydrophobicContact CD2-SD 4.33Å; L31-M326 HydrophobicContact CD1-CE 3.76Å; L31-M326 HydrophobicContact CD1-SD 3.59Å; L31-M326 VanDerWaalsContact CD1-SD 3.59Å; L272-M326 HydrophobicContact CD1-CE 3.74Å; V282-M326 HydrophobicContact CG1-CE 3.54Å; V282-M326 HydrophobicContact CG2-CE 4.36Å; E284-M326 CarbonylContact O-C 3.46Å; E284-M326 WeakPolarHBondContact O-CA 3.4Å; L324-M326 HydrophobicContact CD2-CG 4.05Å; L324-M326 HydrophobicContact CD2-SD 3.93Å; L324-M326 HydrophobicContact CG-CG 3.97Å; L324-M326 HydrophobicContact CG-SD 4.46Å; M326-V328 HydrophobicContact CB-CG1 4.49Å; M326-V340 CarbonylContact O-C 3.55Å; M326-V340 WeakPolarHBondContact O-CA 3.45Å; M326-V341 PolarHBondContact N-O 2.88Å; M326-V341 PolarHBondContact O-N 3.45Å; M326-L343 HydrophobicContact SD-CD1 3.5Å; M326-L343 VanDerWaalsContact SD-CD1 3.5Å; M326-L343 HydrophobicContact SD-CG 4.34Å |
| 327 | I | 89.2 | Confident | 85.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120 | 167.5 | -53.1 | -178.9 | 0 | 0 | 0 | 107 | I53 V57 Y61 L283 E284 P338 Q339 V340 | I53-I327 HydrophobicContact CD1-CD1 4.3Å; I53-I327 HydrophobicContact CD1-CG2 4.35Å; I53-I327 HydrophobicContact CG2-CD1 4.22Å; V57-I327 HydrophobicContact CG1-CG2 4.18Å; Y61-I327 HydrophobicContact CD1-CD1 4.15Å; Y61-I327 HydrophobicContact CD2-CD1 4.08Å; Y61-I327 HydrophobicContact CD2-CG1 3.62Å; Y61-I327 HydrophobicContact CE2-CG1 4.23Å; Y61-I327 HydrophobicContact CG-CD1 3.76Å; Y61-I327 HydrophobicContact CG-CG1 3.82Å; L283-I327 HydrophobicContact CB-CB 4.33Å; L283-I327 HydrophobicContact CB-CG2 4.24Å; L283-I327 HydrophobicContact CD1-CG2 4.04Å; L283-I327 PolarHBondContact N-O 2.78Å; E284-I327 HydrophobicContact CB-CB 4.03Å; E284-I327 HydrophobicContact CB-CD1 4.07Å; E284-I327 HydrophobicContact CB-CG1 3.99Å; E284-I327 HydrophobicContact CG-CD1 4.08Å; E284-I327 PolarHBondContact N-O 2.88Å; E284-I327 PolarHBondContact O-N 2.81Å; I327-P338 HydrophobicContact CG2-CB 4.16Å; I327-Q339 WeakPolarHBondContact CA-O 3.44Å; I327-V340 HydrophobicContact CG1-CG2 4.49Å |
| 328 | V | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 152.2 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | L31 L35 W281 V282 M326 I330 P338 Q339 V341 | L31-V328 HydrophobicContact CD1-CG1 4.13Å; L31-V328 HydrophobicContact CD2-CG1 4.48Å; L35-V328 HydrophobicContact CD1-CG2 4.13Å; L35-V328 HydrophobicContact CD2-CG2 4.44Å; W281-V328 HydrophobicContact CE3-CB 3.96Å; W281-V328 HydrophobicContact CE3-CG1 4.29Å; W281-V328 HydrophobicContact CZ3-CB 4.2Å; W281-V328 HydrophobicContact CZ3-CG1 4.3Å; W281-V328 CarbonylContact O-C 3.55Å; W281-V328 VanDerWaalsContact O-CA 3.26Å; W281-V328 WeakPolarHBondContact O-CA 3.35Å; V282-V328 HydrophobicContact CG2-CG1 4.42Å; M326-V328 HydrophobicContact CB-CG1 4.49Å; V328-I330 HydrophobicContact CG2-CG2 4.49Å; V328-P338 CarbonylContact O-C 3.5Å; V328-P338 VanDerWaalsContact O-CA 3.29Å; V328-P338 WeakPolarHBondContact O-CA 3.39Å; V328-Q339 PolarHBondContact N-O 3.48Å; V328-Q339 PolarHBondContact O-N 3.4Å; V328-V341 HydrophobicContact CG2-CG2 3.62Å |
| 329 | S | 89.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.1 | 174.3 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | L43 W281 | L43-S329 WeakPolarHBondContact CD1-OG 3.41Å; W281-S329 PolarHBondContact O-N 3.47Å |
| 330 | I | 88.1 | Confident | 85.8 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 148.6 | 178.2 | 55.5 | 167.9 | 0 | 0 | 0 | 110.2 | L35 L37 P41 V328 E332 T336 R337 | L35-I330 HydrophobicContact CD1-CG2 4.37Å; L37-I330 HydrophobicContact CD1-CG2 4.38Å; P41-I330 HydrophobicContact CG-CG2 4.44Å; V328-I330 HydrophobicContact CG2-CG2 4.49Å; I330-E332 PolarHBondContact O-N 3.28Å; I330-T336 WeakPolarHBondContact O-CA 3.35Å; I330-R337 PolarHBondContact N-O 2.9Å; I330-R337 PolarHBondContact O-N 3.12Å |
| 331 | K | 83.3 | Confident | 86.1 | Confident | 99 Ų | 99 | 48.4 Ų | 48.4 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 110.1 | 172.5 | -80.2 | -177.8 | 173.7 | 175.1 | 0 | 109.1 | L43 D47 T336 | L43-K331 HydrophobicContact CD2-CD 4.01Å; L43-K331 HydrophobicContact CD2-CG 3.79Å; D47-K331 WeakPolarHBondContact OD2-CE 3.43Å; D47-K331 IonicContact OD2-NZ 3.26Å; D47-K331 PolarHBondContact OD2-NZ 2.96Å; K331-T336 HydrophobicContact CG-CG2 3.82Å |
| 332 | E | 76.9 | Confident | 86.3 | Confident | 112 Ų | 112 | 47.2 Ų | 47.2 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.4 | 177.8 | -164.5 | -176.4 | -153.6 | 0 | 0 | 108.9 | I330 G334 R335 R337 | I330-E332 PolarHBondContact O-N 3.28Å; E332-G334 VanDerWaalsContact C-N 3.28Å; E332-G334 PolarHBondContact O-N 3.27Å; E332-R335 PolarHBondContact N-O 3.01Å; E332-R335 PolarHBondContact O-N 3.26Å; E332-R337 IonicContact OE2-NH1 3.05Å |
| 333 | G | 69.1 | Low | 86.5 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 90% | 0.897 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 31.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R335 | G333-R335 VanDerWaalsContact C-N 3.34Å; G333-R335 PolarHBondContact O-N 3.39Å |
| 334 | G | 75.2 | Confident | 86.4 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 77% | 0.773 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 2.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E332 | E332-G334 VanDerWaalsContact C-N 3.28Å; E332-G334 PolarHBondContact O-N 3.27Å |
| 335 | R | 79 | Confident | 86.3 | Confident | 186 Ų | 186 | 52.7 Ų | 52.7 | 70% | 0.702 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141 | 172.6 | -67.4 | -175.1 | 179.4 | 179.7 | 0.4 | 110.7 | E332 G333 | E332-R335 PolarHBondContact N-O 3.01Å; E332-R335 PolarHBondContact O-N 3.26Å; G333-R335 VanDerWaalsContact C-N 3.34Å; G333-R335 PolarHBondContact O-N 3.39Å |
| 336 | T | 84.7 | Confident | 86.1 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.5 | 170.4 | 39.2 | 0 | 0 | 0 | 0 | 109.7 | L43 D47 I330 K331 | L43-T336 HydrophobicContact CD1-CG2 4.41Å; L43-T336 HydrophobicContact CD2-CG2 3.56Å; D47-T336 HydrophobicContact CB-CG2 4Å; I330-T336 WeakPolarHBondContact O-CA 3.35Å; K331-T336 HydrophobicContact CG-CG2 3.82Å |
| 337 | R | 86.5 | Confident | 85.9 | Confident | 130 Ų | 130 | 55 Ų | 55 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.5 | 179.4 | -71 | -174.3 | 172.9 | -179.6 | -1.9 | 110.4 | I330 E332 | I330-R337 PolarHBondContact N-O 2.9Å; I330-R337 PolarHBondContact O-N 3.12Å; E332-R337 IonicContact OE2-NH1 3.05Å |
| 338 | P | 89.6 | Confident | 85.8 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 135.1 | 173.4 | 30.7 | -31.5 | 0 | 0 | 0 | 110.5 | P54 L283 I327 V328 | P54-P338 HydrophobicContact CG-CG 4.26Å; L283-P338 HydrophobicContact CD1-CB 4.04Å; I327-P338 HydrophobicContact CG2-CB 4.16Å; V328-P338 CarbonylContact O-C 3.5Å; V328-P338 VanDerWaalsContact O-CA 3.29Å; V328-P338 WeakPolarHBondContact O-CA 3.39Å |
| 339 | Q | 90.7 | Very high | 85.5 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.7 | 179.2 | -174.1 | 177.8 | 21.4 | 0 | 0 | 110.4 | I327 V328 | I327-Q339 WeakPolarHBondContact CA-O 3.44Å; V328-Q339 PolarHBondContact N-O 3.48Å; V328-Q339 PolarHBondContact O-N 3.4Å |
| 340 | V | 90.9 | Very high | 85.4 | Confident | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 127 | 172.1 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | V57 Q60 L64 M326 I327 | V57-V340 HydrophobicContact CB-CG2 4.47Å; V57-V340 HydrophobicContact CG1-CG2 3.52Å; V57-V340 WeakPolarHBondContact O-CG2 3.45Å; Q60-V340 HydrophobicContact CB-CG2 4.24Å; Q60-V340 HydrophobicContact CG-CB 4.44Å; Q60-V340 HydrophobicContact CG-CG2 4.25Å; L64-V340 HydrophobicContact CD1-CG1 3.8Å; M326-V340 CarbonylContact O-C 3.55Å; M326-V340 WeakPolarHBondContact O-CA 3.45Å; I327-V340 HydrophobicContact CG1-CG2 4.49Å |
| 341 | V | 91.5 | Very high | 85.4 | Confident | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.9 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | Q34 L35 P325 M326 V328 L343 | Q34-V341 VanDerWaalsContact CD-CG1 3.48Å; Q34-V341 HydrophobicContact CG-CG1 3.96Å; L35-V341 HydrophobicContact CD2-CG2 3.59Å; L35-V341 HydrophobicContact CG-CG2 4.25Å; P325-V341 CarbonylContact C-O 3.54Å; P325-V341 WeakPolarHBondContact CA-O 3.47Å; M326-V341 PolarHBondContact N-O 2.88Å; M326-V341 PolarHBondContact O-N 3.45Å; V328-V341 HydrophobicContact CG2-CG2 3.62Å; V341-L343 HydrophobicContact CG1-CD2 4.43Å |
| 342 | S | 90.3 | Very high | 85.6 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 108 | 176.2 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | Q34 S323 L324 | Q34-S342 PolarHBondContact NE2-O 3.28Å; Q34-S342 PolarHBondContact OE1-O 3.12Å; S323-S342 PolarHBondContact OG-OG 3.01Å; L324-S342 WeakPolarHBondContact O-CA 3.31Å |
| 343 | L | 89.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.5 | -179.7 | -65.8 | 174.5 | 0 | 0 | 0 | 110.1 | L27 L31 S323 L324 M326 V341 M346 | L27-L343 HydrophobicContact CD2-CD1 4.38Å; L27-L343 HydrophobicContact CG-CD1 4.2Å; L31-L343 HydrophobicContact CB-CD1 4.32Å; L31-L343 HydrophobicContact CB-CD2 4.13Å; L31-L343 HydrophobicContact CD1-CD1 4.16Å; S323-L343 CarbonylContact C-O 3.47Å; S323-L343 WeakPolarHBondContact CA-O 3.45Å; S323-L343 VanDerWaalsContact CB-O 3.26Å; S323-L343 WeakPolarHBondContact CB-O 3.36Å; L324-L343 PolarHBondContact N-O 3.11Å; L324-L343 PolarHBondContact O-N 2.76Å; M326-L343 HydrophobicContact SD-CD1 3.5Å; M326-L343 VanDerWaalsContact SD-CD1 3.5Å; M326-L343 HydrophobicContact SD-CG 4.34Å; V341-L343 HydrophobicContact CG1-CD2 4.43Å; L343-M346 HydrophobicContact CB-CE 3.8Å; L343-M346 HydrophobicContact CB-CG 3.44Å; L343-M346 VanDerWaalsContact CB-CG 3.44Å; L343-M346 HydrophobicContact CB-SD 4.29Å; L343-M346 HydrophobicContact CD1-CE 4.16Å; L343-M346 HydrophobicContact CD1-CG 4.29Å; L343-M346 HydrophobicContact CD1-SD 4.44Å; L343-M346 HydrophobicContact CG-CE 4.39Å |
| 344 | P | 88.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 155.8 | 178.3 | 30.9 | -34.7 | 0 | 0 | 0 | 111.9 | M346 | P344-M346 VanDerWaalsContact C-N 3.27Å; P344-M346 PolarHBondContact O-N 3.05Å |
| 345 | N | 86.6 | Confident | 86.7 | Confident | 107 Ų | 107 | 48.5 Ų | 48.5 | 57% | 0.572 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 59.3 | 26.6 | 171.4 | -52.4 | -41.7 | 0 | 0 | 0 | 116.5 | T321 | T321-N345 PolarHBondContact OG1-OD1 2.97Å |
| 346 | M | 87.4 | Confident | 86 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.069 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -19.8 | -175.4 | -68.2 | -60 | 157.8 | 0 | 0 | 114.1 | L22 L27 A322 L324 L343 P344 | L22-M346 HydrophobicContact CD1-SD 3.85Å; L22-M346 HydrophobicContact CD2-SD 4.2Å; L27-M346 HydrophobicContact CD1-SD 4.45Å; A322-M346 PolarHBondContact O-N 3.12Å; A322-M346 VanDerWaalsContact O-N 3.08Å; L324-M346 HydrophobicContact CB-CB 3.51Å; L324-M346 HydrophobicContact CB-CG 3.92Å; L324-M346 HydrophobicContact CD2-CB 4.35Å; L343-M346 HydrophobicContact CB-CE 3.8Å; L343-M346 HydrophobicContact CB-CG 3.44Å; L343-M346 VanDerWaalsContact CB-CG 3.44Å; L343-M346 HydrophobicContact CB-SD 4.29Å; L343-M346 HydrophobicContact CD1-CE 4.16Å; L343-M346 HydrophobicContact CD1-CG 4.29Å; L343-M346 HydrophobicContact CD1-SD 4.44Å; L343-M346 HydrophobicContact CG-CE 4.39Å; P344-M346 VanDerWaalsContact C-N 3.27Å; P344-M346 PolarHBondContact O-N 3.05Å |
| 347 | R | 84.8 | Confident | 84.6 | Confident | 34 Ų | 34 | 45 Ų | 45 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.7 | 177.5 | -174.9 | 168.7 | 77.8 | -166.2 | 3.7 | 111.5 | S68 H69 L289 A290 Y291 T321 A322 Q349 | S68-R347 VanDerWaalsContact C-NH2 3.27Å; S68-R347 PolarHBondContact O-NH2 3.25Å; H69-R347 PolarHBondContact CD2-NH2 2.83Å; H69-R347 PolarHBondContact CE1-NH1 2.95Å; H69-R347 PolarHBondContact ND1-NH2 2.86Å; H69-R347 PolarHBondContact NE2-NH1 3.23Å; L289-R347 WeakPolarHBondContact O-CD 3.44Å; L289-R347 WeakPolarHBondContact O-CG 3.46Å; A290-R347 CarbonylContact O-C 3.59Å; A290-R347 WeakPolarHBondContact O-CA 3.2Å; Y291-R347 HydrophobicContact CD2-CG 4.02Å; Y291-R347 HydrophobicContact CE2-CG 4.41Å; T321-R347 CarbonylContact C-O 3.53Å; T321-R347 VanDerWaalsContact CA-O 3.24Å; T321-R347 WeakPolarHBondContact CA-O 3.35Å; A322-R347 HydrophobicContact CB-CB 4.42Å; A322-R347 PolarHBondContact N-O 3.26Å; A322-R347 PolarHBondContact O-N 2.89Å; A322-R347 VanDerWaalsContact O-N 3.11Å; R347-Q349 VanDerWaalsContact NH2-NE2 3.1Å; R347-Q349 PolarHBondContact O-N 2.63Å |
| 348 | V | 88.5 | Confident | 83.1 | Confident | 20 Ų | 20 | 41 Ų | 41 | 12% | 0.121 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.4 | 173.7 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | R265 A290 Y291 C293 A318 | R265-V348 WeakPolarHBondContact CD-O 3.5Å; R265-V348 HydrophobicContact CG-CG1 4.29Å; R265-V348 PolarHBondContact NH1-O 3.46Å; R265-V348 VanDerWaalsContact NH1-O 3.14Å; A290-V348 PolarHBondContact O-N 3.21Å; Y291-V348 WeakPolarHBondContact O-CG2 3.47Å; C293-V348 VanDerWaalsContact SG-CG1 3.59Å; A318-V348 HydrophobicContact CB-CG1 4.02Å; A318-V348 HydrophobicContact CB-CG2 4.04Å |
| 349 | Q | 84.9 | Confident | 80.9 | Confident | 40 Ų | 40 | 48 Ų | 48 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -34.8 | 176.9 | -67.4 | -66.6 | -3.2 | 0 | 0 | 112 | S68 R265 E320 A322 R347 | S68-Q349 PolarHBondContact O-NE2 3.33Å; S68-Q349 VanDerWaalsContact O-NE2 3.11Å; R265-Q349 PolarHBondContact NH1-O 2.81Å; E320-Q349 HydrophobicContact CB-CB 4.02Å; E320-Q349 WeakPolarHBondContact O-CA 3.46Å; E320-Q349 WeakPolarHBondContact O-CB 3.41Å; E320-Q349 PolarHBondContact O-N 3.33Å; A322-Q349 HydrophobicContact CB-CG 3.79Å; R347-Q349 VanDerWaalsContact NH2-NE2 3.1Å; R347-Q349 PolarHBondContact O-N 2.63Å |
| 350 | K | 86.4 | Confident | 78.6 | Confident | 111 Ų | 111 | 47.5 Ų | 47.5 | 48% | 0.483 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 139.5 | -178.3 | -167.5 | -179.9 | 179.2 | -175.4 | 0 | 111.2 | S319 E320 | S319-K350 PolarHBondContact N-O 2.95Å; S319-K350 WeakPolarHBondContact OG-CB 3.41Å; S319-K350 PolarHBondContact OG-O 2.95Å; E320-K350 HydrophobicContact CB-CB 3.85Å; E320-K350 HydrophobicContact CG-CB 4.08Å; E320-K350 HydrophobicContact CG-CD 4.38Å; E320-K350 PolarHBondContact N-O 3.41Å; E320-K350 PolarHBondContact O-N 3.5Å; E320-K350 VanDerWaalsContact O-N 3.15Å; E320-K350 WeakPolarHBondContact OE1-CD 3.43Å; E320-K350 IonicContact OE1-NZ 2.68Å |
| 351 | C | 88.2 | Confident | 76 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 149.3 | 170.5 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | A247 R265 C293 I317 | A247-C351 HydrophobicContact CB-CB 4.26Å; A247-C351 WeakPolarHBondContact CB-O 3.46Å; R265-C351 VanDerWaalsContact CB-SG 3.58Å; C293-C351 WeakPolarHBondContact CA-SG 3.43Å; C293-C351 HydrophobicContact CB-CB 3.87Å; C293-C351 WeakPolarHBondContact CB-SG 3.1Å; C293-C351 VanDerWaalsContact SG-CA 3.53Å; C293-C351 WeakPolarHBondContact SG-CB 3.4Å; C293-C351 CovalentContact SG-SG 2.03Å; C293-C351 PolarHBondContact SG-SG 3.12Å; I317-C351 CarbonylContact O-C 3.58Å; I317-C351 WeakPolarHBondContact O-CA 3.38Å |
| 352 | S | 87.9 | Confident | 73.3 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 22% | 0.217 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 155.6 | 173.9 | 74 | 0 | 0 | 0 | 0 | 111.1 | I317 S319 | I317-S352 PolarHBondContact N-O 3.33Å; I317-S352 PolarHBondContact O-N 3.43Å; S319-S352 VanDerWaalsContact CB-OG 3.3Å; S319-S352 WeakPolarHBondContact CB-OG 3.45Å |
| 353 | C | 87.1 | Confident | 70.4 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.3 | 165.5 | -68.5 | 0 | 0 | 0 | 0 | 109.7 | Y245 C297 R314 Q315 | Y245-C353 WeakPolarHBondContact O-CB 3Å; C297-C353 VanDerWaalsContact CA-SG 3.6Å; C297-C353 HydrophobicContact CB-CB 3.66Å; C297-C353 WeakPolarHBondContact CB-SG 3.28Å; C297-C353 WeakPolarHBondContact SG-CA 3.46Å; C297-C353 WeakPolarHBondContact SG-CB 3.49Å; C297-C353 CovalentContact SG-SG 2.03Å; C297-C353 PolarHBondContact SG-SG 2.77Å; R314-C353 PolarHBondContact NH2-O 3.23Å; Q315-C353 WeakPolarHBondContact O-CA 3.23Å |
| 354 | A | 82.3 | Confident | 67.6 | Low | 21 Ų | 21 | 70.9 Ų | 70.9 | 17% | 0.174 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 147.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R314 Q315 I317 | R314-A354 CarbonylContact C-O 3.55Å; R314-A354 VanDerWaalsContact CA-O 3.3Å; R314-A354 WeakPolarHBondContact CA-O 3.04Å; Q315-A354 PolarHBondContact N-O 3.24Å; Q315-A354 PolarHBondContact O-N 2.85Å; Q315-A354 VanDerWaalsContact O-N 3.09Å; I317-A354 HydrophobicContact CD1-CB 3.68Å; I317-A354 HydrophobicContact CG1-CB 4.11Å |
| 355 | S | 76.3 | Confident | 64.5 | Low | 30 Ų | 30 | 75.9 Ų | 75.9 | 21% | 0.21 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138.5 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111 | R314 G357 A358 | R314-S355 WeakPolarHBondContact CG-OG 3.28Å; S355-G357 PolarHBondContact O-N 2.73Å; S355-A358 WeakPolarHBondContact O-CB 3.24Å; S355-A358 PolarHBondContact O-N 3.5Å |
| 356 | D | 63.8 | Low | 61.9 | Low | 88 Ų | 88 | 80.2 Ų | 80.2 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 133.5 | 174.3 | -165.8 | 3.9 | 0 | 0 | 0 | 110.5 | L311 G312 P313 A358 | L311-D356 WeakPolarHBondContact CA-O 3.2Å; G312-D356 PolarHBondContact N-O 2.91Å; G312-D356 VanDerWaalsContact N-O 3.08Å; P313-D356 PolarHBondContact O-N 2.78Å; D356-A358 VanDerWaalsContact C-N 3.31Å; D356-A358 PolarHBondContact O-N 3.18Å |
| 357 | G | 55.5 | Low | 60.7 | Low | 58 Ų | 58 | 83.6 Ų | 83.6 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -4.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116 | S355 L359 | S355-G357 PolarHBondContact O-N 2.73Å; G357-L359 PolarHBondContact O-N 3.36Å |
| 358 | A | 54 | Low | 59.4 | Low | 47 Ų | 47 | 86.2 Ų | 86.2 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | trans | -66.7 | 126.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L311 S355 D356 V360 | L311-A358 HydrophobicContact CD2-CB 4.34Å; S355-A358 WeakPolarHBondContact O-CB 3.24Å; S355-A358 PolarHBondContact O-N 3.5Å; D356-A358 VanDerWaalsContact C-N 3.31Å; D356-A358 PolarHBondContact O-N 3.18Å; A358-V360 PolarHBondContact O-N 3.28Å | ||
| 359 | L | 44.2 | Very low | 57.8 | Low | 167 Ų | 167 | 89.8 Ų | 89.8 | 87% | 0.874 | 52% | 0.519 | S | S | * | . | trans | -60.1 | 102.5 | 169.8 | -72.2 | 168.8 | 0 | 0 | 0 | 107.5 | G357 P361 | G357-L359 PolarHBondContact O-N 3.36Å; L359-P361 VanDerWaalsContact O-CD 3.3Å; L359-P361 WeakPolarHBondContact O-CD 3.39Å | ||
| 360 | V | 42.2 | Very low | 56.2 | Low | 82 Ų | 82 | 92.8 Ų | 92.8 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | trans | -50 | 120 | 167.4 | 178 | 0 | 0 | 0 | 0 | 105.6 | I317 A358 R362 | I317-V360 HydrophobicContact CD1-CG2 4.38Å; A358-V360 PolarHBondContact O-N 3.28Å; V360-R362 PolarHBondContact O-N 2.78Å | ||
| 361 | P | 36.6 | Very low | 54.3 | Low | 103 Ų | 103 | 91.6 Ų | 91.6 | 67% | 0.669 | 54% | 0.542 | S | S | * | . | trans | -66 | 89.3 | 179.3 | -13.5 | 26.4 | 0 | 0 | 0 | 107.1 | L359 G363 | L359-P361 VanDerWaalsContact O-CD 3.3Å; L359-P361 WeakPolarHBondContact O-CD 3.39Å; P361-G363 VanDerWaalsContact C-N 3.35Å; P361-G363 PolarHBondContact O-N 3.23Å | ||
| 362 | R | 34.5 | Very low | 52 | Low | 227 Ų | 227 | 97.1 Ų | 97.1 | 86% | 0.857 | 57% | 0.574 | S | S | * | * | trans | -60.7 | 109 | 164.1 | -71.2 | -173 | 177 | -175.1 | 0.2 | 103.5 | V360 L364 | V360-R362 PolarHBondContact O-N 2.78Å; R362-L364 PolarHBondContact O-N 3.02Å | ||
| 363 | G | 29.2 | Very low | 49.5 | Very low | 68 Ų | 68 | 101.9 Ų | 101.9 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | trans | -46.1 | 115.5 | 175 | 0 | 0 | 0 | 0 | 0 | 107 | P361 Q365 | P361-G363 VanDerWaalsContact C-N 3.35Å; P361-G363 PolarHBondContact O-N 3.23Å; G363-Q365 VanDerWaalsContact C-N 3.33Å; G363-Q365 PolarHBondContact O-N 3.31Å | ||
| 364 | L | 30.6 | Very low | 46.6 | Very low | 149 Ų | 149 | 109.2 Ų | 109.2 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | trans | -57 | 107.9 | 174.6 | -75.4 | 164.6 | 0 | 0 | 0 | 104.8 | R362 | R362-L364 PolarHBondContact O-N 3.02Š| ||
| 365 | Q | 22.8 | Very low | 43.6 | Very low | 181 Ų | 181 | 116.5 Ų | 116.5 | 85% | 0.846 | 68% | 0.681 | S | S | * | * | trans | -56.9 | 141 | 169.3 | -96.6 | 174.9 | -25.9 | 0 | 0 | 107.3 | G363 | G363-Q365 VanDerWaalsContact C-N 3.33Å; G363-Q365 PolarHBondContact O-N 3.31Å | ||
| 366 | P | 33.8 | Very low | 40.7 | Very low | 198 Ų | 198 | 124.4 Ų | 124.4 | 100% | 1.286 | 72% | 0.724 | S | S | * | * | trans | -56.8 | 0 | -173.7 | 24.1 | -34.4 | 0 | 0 | 0 | 113.3 |
Retrieved 366 of 366 residues in 575 ms
(Link to these results)