| 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 | 38 | Very low | 36 | Very low | 239 Ų | 239 | 184.1 Ų | 184.1 | 100% | 1.177 | 85% | 0.854 | S | S | * | * | 0 | 107.4 | 0 | -70.5 | 161.9 | 80.9 | 0 | 0 | 107.6 | |||||
| 2 | R | 33.8 | Very low | 35.7 | Very low | 245 Ų | 245 | 179.5 Ų | 179.5 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | trans | -75.7 | 128.3 | 175.6 | -74.6 | 175.8 | 170.9 | 178.7 | -3.7 | 107.8 | ||||
| 3 | L | 33.5 | Very low | 35.5 | Very low | 162 Ų | 162 | 176.2 Ų | 176.2 | 85% | 0.848 | 84% | 0.838 | S | S | * | * | trans | -118.1 | 123.2 | 160.1 | -110.5 | 95.8 | 0 | 0 | 0 | 109.1 | ||||
| 4 | L | 34.8 | Very low | 35.1 | Very low | 148 Ų | 148 | 171.7 Ų | 171.7 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | trans | -70.7 | 125 | -172.5 | -70 | 115.5 | 0 | 0 | 0 | 111.2 | L6 | L4-L6 PolarHBondContact O-N 3.05Š| ||
| 5 | W | 36.9 | Very low | 35 | Very low | 252 Ų | 252 | 171.5 Ų | 171.5 | 96% | 0.955 | 83% | 0.834 | S | S | * | * | trans | -85.9 | 99.9 | 157.6 | -88.6 | 50.3 | 0 | 0 | 0 | 107.9 | L7 | W5-L7 PolarHBondContact O-N 3.3Š| ||
| 6 | L | 38.8 | Very low | 34.7 | Very low | 143 Ų | 143 | 166 Ų | 166 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | trans | -76.8 | 102 | 169.3 | -80.5 | 159.2 | 0 | 0 | 0 | 108.3 | L4 W8 | L4-L6 PolarHBondContact O-N 3.05Å; L6-W8 PolarHBondContact O-N 3.27Å | ||
| 7 | L | 35.5 | Very low | 34.6 | Very low | 164 Ų | 164 | 158.9 Ų | 158.9 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -65.1 | 110.2 | 164.4 | -84.6 | 153.2 | 0 | 0 | 0 | 108.7 | W5 A9 | W5-L7 PolarHBondContact O-N 3.3Å; L7-A9 VanDerWaalsContact C-N 3.35Å; L7-A9 PolarHBondContact O-N 3.02Å | ||
| 8 | W | 37.5 | Very low | 34.7 | Very low | 224 Ų | 224 | 154.5 Ų | 154.5 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 91.9 | 165.1 | -81.4 | 50.3 | 0 | 0 | 0 | 108.4 | L6 L10 | L6-W8 PolarHBondContact O-N 3.27Å; W8-L10 PolarHBondContact O-N 3.35Å | ||
| 9 | A | 34.1 | Very low | 35 | Very low | 81 Ų | 81 | 149.4 Ų | 149.4 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | -73.6 | 86.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | L7 W11 | L7-A9 VanDerWaalsContact C-N 3.35Å; L7-A9 PolarHBondContact O-N 3.02Å; A9-W11 PolarHBondContact O-N 3.29Å | ||
| 10 | L | 38.9 | Very low | 35.8 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | trans | -62.2 | 103.1 | 160.8 | -95.1 | 149.8 | 0 | 0 | 0 | 106.9 | W8 V12 | W8-L10 PolarHBondContact O-N 3.35Å; L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 3.13Å | ||
| 11 | W | 34.5 | Very low | 36.8 | Very low | 228 Ų | 228 | 140.2 Ų | 140.2 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -59 | 97.6 | 165.5 | -85.1 | 63.3 | 0 | 0 | 0 | 107.9 | A9 L13 | A9-W11 PolarHBondContact O-N 3.29Å; W11-L13 PolarHBondContact O-N 3.39Å | ||
| 12 | V | 32.3 | Very low | 38.2 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 78% | 0.782 | 69% | 0.694 | S | S | * | * | trans | -67 | 95.8 | 158.8 | -179.6 | 0 | 0 | 0 | 0 | 105 | L10 P14 | L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 3.13Å; V12-P14 WeakPolarHBondContact O-CD 3.32Å | ||
| 13 | L | 33.5 | Very low | 40.3 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | trans | -52.5 | 120.2 | 161 | -82.2 | 157.6 | 0 | 0 | 0 | 106 | W11 L15 | W11-L13 PolarHBondContact O-N 3.39Å; L13-L15 PolarHBondContact O-N 3.33Å | ||
| 14 | P | 29.7 | Very low | 42.2 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | trans | -64.2 | 112.7 | 174.9 | 26.5 | -28.5 | 0 | 0 | 0 | 105.8 | V12 A16 | V12-P14 WeakPolarHBondContact O-CD 3.32Å; P14-A16 PolarHBondContact O-N 3.33Å | ||
| 15 | L | 33.1 | Very low | 44.5 | Very low | 169 Ų | 169 | 116.5 Ų | 116.5 | 89% | 0.885 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 116 | 159.8 | -77.9 | 163.1 | 0 | 0 | 0 | 105.3 | L13 G17 | L13-L15 PolarHBondContact O-N 3.33Å; L15-G17 PolarHBondContact O-N 3.2Å |
| 16 | A | 31.1 | Very low | 46.6 | Very low | 83 Ų | 83 | 107.4 Ų | 107.4 | 69% | 0.686 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 117.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | P14 V20 | P14-A16 PolarHBondContact O-N 3.33Å; A16-V20 HydrophobicContact CB-CG2 4.48Å |
| 17 | G | 31.5 | Very low | 48.8 | Very low | 45 Ų | 45 | 100.8 Ų | 100.8 | 46% | 0.464 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 155 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L15 G19 | L15-G17 PolarHBondContact O-N 3.2Å; G17-G19 PolarHBondContact O-N 3.5Å; G17-G19 VanDerWaalsContact O-N 3.08Å |
| 18 | P | 36.8 | Very low | 51.3 | Low | 80 Ų | 80 | 94.5 Ų | 94.5 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 110 | 179 | 1.7 | 16 | 0 | 0 | 0 | 107.4 | I317 | P18-I317 HydrophobicContact CB-CG2 3.97Š|
| 19 | G | 41 | Very low | 53.6 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 131 | 17.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | G17 A21 | G17-G19 PolarHBondContact O-N 3.5Å; G17-G19 VanDerWaalsContact O-N 3.08Å; G19-A21 PolarHBondContact O-N 3.1Å |
| 20 | V | 50.8 | Low | 56 | Low | 78 Ų | 78 | 84 Ų | 84 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | trans | -78.4 | 115.5 | 171.8 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | A16 M22 Q26 | A16-V20 HydrophobicContact CB-CG2 4.48Å; V20-M22 PolarHBondContact O-N 2.94Å; V20-Q26 VanDerWaalsContact CG1-NE2 3.3Å | ||
| 21 | A | 56.7 | Low | 58.3 | Low | 28 Ų | 28 | 77.4 Ų | 77.4 | 23% | 0.231 | 46% | 0.462 | C | S | . | . | trans | -37.4 | 127.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G19 T23 Q26 M268 E292 | G19-A21 PolarHBondContact O-N 3.1Å; A21-T23 WeakPolarHBondContact O-CG2 3.44Å; A21-T23 PolarHBondContact O-N 3.29Å; A21-T23 VanDerWaalsContact O-N 3.09Å; A21-Q26 PolarHBondContact O-OE1 3.07Å; A21-Q26 VanDerWaalsContact O-OE1 3.05Å; A21-M268 HydrophobicContact CB-CE 3.77Å; A21-E292 WeakPolarHBondContact CA-OE1 3.34Å; A21-E292 WeakPolarHBondContact CB-OE1 3.23Å; A21-E292 PolarHBondContact N-OE1 2.82Å | ||
| 22 | M | 66.9 | Low | 60.9 | Low | 58 Ų | 58 | 67.8 Ų | 67.8 | 29% | 0.286 | 43% | 0.428 | S | S | . | . | trans | -66.5 | 111.8 | 177.7 | -73.5 | -88.5 | 63.5 | 0 | 0 | 110.2 | V20 Q26 I270 M346 | V20-M22 PolarHBondContact O-N 2.94Å; M22-Q26 HydrophobicContact CE-CB 3.66Å; M22-Q26 HydrophobicContact CE-CG 4.18Å; M22-I270 HydrophobicContact CB-CD1 4.35Å; M22-M346 HydrophobicContact SD-SD 4.31Å | ||
| 23 | T | 77.9 | Confident | 63.5 | Low | 61 Ų | 61 | 69.3 Ų | 69.3 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | trans | -96 | 158.6 | 179.3 | 69.9 | 0 | 0 | 0 | 0 | 112.1 | A21 E25 Q26 L27 | A21-T23 WeakPolarHBondContact O-CG2 3.44Å; A21-T23 PolarHBondContact O-N 3.29Å; A21-T23 VanDerWaalsContact O-N 3.09Å; T23-E25 PolarHBondContact O-N 3.3Å; T23-Q26 PolarHBondContact O-N 3.48Å; T23-Q26 VanDerWaalsContact O-N 3.14Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.48Å; T23-Q26 PolarHBondContact OG1-N 3.04Å; T23-L27 PolarHBondContact O-N 3.2Å | ||
| 24 | G | 74.4 | Confident | 66 | Low | 16 Ų | 16 | 66.7 Ų | 66.7 | 17% | 0.165 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.8 | -29.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L27 L28 | G24-L27 WeakPolarHBondContact O-CB 3.38Å; G24-L28 PolarHBondContact O-N 3.15Å |
| 25 | E | 82.5 | Confident | 68.6 | Low | 161 Ų | 161 | 63 Ų | 63 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.9 | -38.7 | 176 | -63.2 | -170.5 | 165.1 | 0 | 0 | 112.4 | T23 L27 L28 G29 | T23-E25 PolarHBondContact O-N 3.3Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L28 WeakPolarHBondContact O-CB 3.5Å; E25-L28 PolarHBondContact O-N 3.29Å; E25-G29 PolarHBondContact O-N 3.4Å |
| 26 | Q | 82.4 | Confident | 71.1 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 29% | 0.285 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 173.8 | -70.6 | 168.8 | -25.2 | 0 | 0 | 111.7 | V20 A21 M22 T23 S30 | V20-Q26 VanDerWaalsContact CG1-NE2 3.3Å; A21-Q26 PolarHBondContact O-OE1 3.07Å; A21-Q26 VanDerWaalsContact O-OE1 3.05Å; M22-Q26 HydrophobicContact CE-CB 3.66Å; M22-Q26 HydrophobicContact CE-CG 4.18Å; T23-Q26 PolarHBondContact O-N 3.48Å; T23-Q26 VanDerWaalsContact O-N 3.14Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.48Å; T23-Q26 PolarHBondContact OG1-N 3.04Å; Q26-S30 WeakPolarHBondContact O-CB 3.36Å; Q26-S30 PolarHBondContact O-N 2.96Å; Q26-S30 PolarHBondContact O-OG 3.49Å |
| 27 | L | 84.7 | Confident | 73.6 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 172 | -169.9 | 82.2 | 0 | 0 | 0 | 111.1 | T23 G24 E25 G29 S30 L31 L272 W277 F288 L343 M346 | T23-L27 PolarHBondContact O-N 3.2Å; G24-L27 WeakPolarHBondContact O-CB 3.38Å; E25-L27 VanDerWaalsContact C-N 3.31Å; L27-G29 PolarHBondContact O-N 3.16Å; L27-S30 PolarHBondContact O-N 3.39Å; L27-L31 WeakPolarHBondContact O-CB 3.47Å; L27-L31 PolarHBondContact O-N 2.95Å; L27-L272 HydrophobicContact CD2-CD2 3.23Å; L27-L272 HydrophobicContact CD2-CG 4.48Å; L27-W277 HydrophobicContact CD2-CH2 3.91Å; L27-W277 HydrophobicContact CD2-CZ2 4Å; L27-W277 HydrophobicContact CG-CH2 4.37Å; L27-F288 HydrophobicContact CD1-CE1 4.33Å; L27-F288 HydrophobicContact CD1-CZ 4.1Å; L27-F288 HydrophobicContact CD2-CE1 4.28Å; L27-L343 HydrophobicContact CD1-CD1 3.99Å; L27-M346 HydrophobicContact CD1-CE 3.5Å; L27-M346 VanDerWaalsContact CD1-CE 3.5Å; L27-M346 HydrophobicContact CD1-CG 4.4Å; L27-M346 HydrophobicContact CD1-SD 3.73Å; L27-M346 HydrophobicContact CG-CE 4.45Å |
| 28 | L | 86.9 | Confident | 75.9 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 17% | 0.173 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 176.6 | 170.9 | 59.8 | 0 | 0 | 0 | 111.5 | G24 E25 S30 L31 L32 V40 W277 W281 | G24-L28 PolarHBondContact O-N 3.15Å; E25-L28 WeakPolarHBondContact O-CB 3.5Å; E25-L28 PolarHBondContact O-N 3.29Å; L28-S30 PolarHBondContact O-N 2.91Å; L28-L31 PolarHBondContact O-N 3.45Å; L28-L32 HydrophobicContact CD1-CD1 3.86Å; L28-L32 HydrophobicContact CD1-CG 3.92Å; L28-L32 HydrophobicContact CG-CD1 4.07Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.37Å; L28-V40 HydrophobicContact CD1-CG2 3.51Å; L28-V40 HydrophobicContact CD2-CG2 4.39Å; L28-W277 HydrophobicContact CB-CD2 4.13Å; L28-W277 HydrophobicContact CB-CE3 4.39Å; L28-W277 HydrophobicContact CB-CH2 4.28Å; L28-W277 HydrophobicContact CB-CZ2 4Å; L28-W277 HydrophobicContact CB-CZ3 4.47Å; L28-W277 HydrophobicContact CD1-CD2 3.92Å; L28-W277 HydrophobicContact CD1-CE3 3.64Å; L28-W277 HydrophobicContact CD1-CG 4.39Å; L28-W277 HydrophobicContact CD1-CZ3 4.07Å; L28-W277 HydrophobicContact CD2-CB 4.41Å; L28-W277 HydrophobicContact CD2-CD2 4.28Å; L28-W277 HydrophobicContact CD2-CG 4.08Å; L28-W277 HydrophobicContact CG-CD2 4.33Å; L28-W277 HydrophobicContact CG-CE3 4.48Å; L28-W281 HydrophobicContact CD1-CH2 4.32Å; L28-W281 HydrophobicContact CD1-CZ3 3.73Å |
| 29 | G | 86 | Confident | 78.1 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | E25 L27 L31 Q33 | E25-G29 PolarHBondContact O-N 3.4Å; L27-G29 PolarHBondContact O-N 3.16Å; G29-L31 VanDerWaalsContact C-N 3.33Å; G29-L31 PolarHBondContact O-N 3.17Å; G29-Q33 WeakPolarHBondContact O-CB 3.31Å; G29-Q33 PolarHBondContact O-N 3.33Å |
| 30 | S | 85.1 | Confident | 80 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 33% | 0.329 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 112 | Q26 L27 L28 Q34 | Q26-S30 WeakPolarHBondContact O-CB 3.36Å; Q26-S30 PolarHBondContact O-N 2.96Å; Q26-S30 PolarHBondContact O-OG 3.49Å; L27-S30 PolarHBondContact O-N 3.39Å; L28-S30 PolarHBondContact O-N 2.91Å; S30-Q34 VanDerWaalsContact O-CB 3.3Å; S30-Q34 WeakPolarHBondContact O-CB 3.46Å; S30-Q34 PolarHBondContact O-N 3Å |
| 31 | L | 86.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73 | -41.4 | -179 | -170.1 | 134.6 | 0 | 0 | 0 | 112 | L27 L28 G29 Q34 L35 W281 M326 V328 L343 | L27-L31 WeakPolarHBondContact O-CB 3.47Å; L27-L31 PolarHBondContact O-N 2.95Å; L28-L31 PolarHBondContact O-N 3.45Å; G29-L31 VanDerWaalsContact C-N 3.33Å; G29-L31 PolarHBondContact O-N 3.17Å; L31-Q34 PolarHBondContact O-N 3.47Å; L31-L35 HydrophobicContact CD2-CD1 3.71Å; L31-L35 HydrophobicContact CG-CD1 4.14Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 WeakPolarHBondContact O-CG 3.19Å; L31-L35 PolarHBondContact O-N 2.96Å; L31-W281 HydrophobicContact CD2-CE3 4.29Å; L31-W281 HydrophobicContact CD2-CH2 3.03Å; L31-W281 HydrophobicContact CD2-CZ2 3.26Å; L31-W281 HydrophobicContact CD2-CZ3 3.58Å; L31-W281 HydrophobicContact CG-CH2 4.5Å; L31-M326 HydrophobicContact CD1-CE 4.05Å; L31-M326 HydrophobicContact CD1-SD 3.77Å; L31-V328 HydrophobicContact CD1-CG1 4.06Å; L31-L343 HydrophobicContact CB-CD1 4.15Å; L31-L343 HydrophobicContact CB-CD2 4.24Å; L31-L343 HydrophobicContact CD1-CD1 3.92Å; L31-L343 HydrophobicContact CD1-CD2 4.38Å; L31-L343 HydrophobicContact CG-CD2 4.44Å |
| 32 | L | 88.9 | Confident | 81.9 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 171.5 | -75 | 176.3 | 0 | 0 | 0 | 111.6 | L28 Q34 L35 Q36 L37 W281 | L28-L32 HydrophobicContact CD1-CD1 3.86Å; L28-L32 HydrophobicContact CD1-CG 3.92Å; L28-L32 HydrophobicContact CG-CD1 4.07Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.37Å; L32-Q34 PolarHBondContact O-N 3.34Å; L32-L35 CarbonylContact O-C 3.43Å; L32-L35 PolarHBondContact O-N 2.94Å; L32-Q36 WeakPolarHBondContact O-CA 3.47Å; L32-Q36 PolarHBondContact O-N 3.36Å; L32-L37 WeakPolarHBondContact CB-O 3.38Å; L32-L37 HydrophobicContact CD2-CB 3.77Å; L32-L37 PolarHBondContact O-N 2.91Å; L32-W281 HydrophobicContact CD2-CH2 3.8Å; L32-W281 HydrophobicContact CG-CH2 4.37Å |
| 33 | Q | 87.8 | Confident | 81.7 | Confident | 160 Ų | 160 | 70.1 Ų | 70.1 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 177.9 | -176.4 | -179.4 | -5.5 | 0 | 0 | 111.9 | G29 L35 Q36 | G29-Q33 WeakPolarHBondContact O-CB 3.31Å; G29-Q33 PolarHBondContact O-N 3.33Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L35 PolarHBondContact O-N 3.47Å; Q33-Q36 PolarHBondContact O-N 3.04Å |
| 34 | Q | 86.1 | Confident | 81.1 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.3 | -33.1 | -179.3 | -177.1 | 162.4 | -26 | 0 | 0 | 112.8 | S30 L31 L32 Q36 V341 S342 L343 | S30-Q34 VanDerWaalsContact O-CB 3.3Å; S30-Q34 WeakPolarHBondContact O-CB 3.46Å; S30-Q34 PolarHBondContact O-N 3Å; L31-Q34 PolarHBondContact O-N 3.47Å; L32-Q34 PolarHBondContact O-N 3.34Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å; Q34-V341 HydrophobicContact CG-CG1 4.13Å; Q34-V341 VanDerWaalsContact NE2-CG1 3.34Å; Q34-S342 PolarHBondContact NE2-O 2.99Å; Q34-S342 PolarHBondContact OE1-O 3.33Å; Q34-L343 HydrophobicContact CB-CD2 4.25Å; Q34-L343 HydrophobicContact CG-CD2 4.48Å |
| 35 | L | 85.1 | Confident | 80.3 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -87 | -3.7 | 175.6 | -68 | 175.5 | 0 | 0 | 0 | 113.4 | L31 L32 Q33 L37 W281 V328 I330 V341 | L31-L35 HydrophobicContact CD2-CD1 3.71Å; L31-L35 HydrophobicContact CG-CD1 4.14Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 WeakPolarHBondContact O-CG 3.19Å; L31-L35 PolarHBondContact O-N 2.96Å; L32-L35 CarbonylContact O-C 3.43Å; L32-L35 PolarHBondContact O-N 2.94Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L35 PolarHBondContact O-N 3.47Å; L35-L37 HydrophobicContact CB-CD1 3.77Å; L35-L37 HydrophobicContact CB-CG 3.89Å; L35-L37 HydrophobicContact CD1-CD1 4.07Å; L35-L37 PolarHBondContact O-N 3.49Å; L35-W281 HydrophobicContact CD1-CZ2 3.96Å; L35-V328 HydrophobicContact CD1-CG2 4.23Å; L35-I330 HydrophobicContact CD1-CD1 4.28Å; L35-I330 HydrophobicContact CD2-CD1 3.69Å; L35-V341 HydrophobicContact CD2-CG2 3.72Å; L35-V341 HydrophobicContact CG-CG2 4.46Å |
| 36 | Q | 85.1 | Confident | 78.8 | Confident | 181 Ų | 181 | 77.9 Ų | 77.9 | 85% | 0.846 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 38.4 | -175.3 | -56.1 | 176.8 | -0.3 | 0 | 0 | 112.8 | L32 Q33 Q34 | L32-Q36 WeakPolarHBondContact O-CA 3.47Å; L32-Q36 PolarHBondContact O-N 3.36Å; Q33-Q36 PolarHBondContact O-N 3.04Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å |
| 37 | L | 84.1 | Confident | 77.6 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | trans | -104.3 | 137.7 | 178.4 | -64.9 | 172.4 | 0 | 0 | 0 | 110 | L32 L35 P41 W281 | L32-L37 WeakPolarHBondContact CB-O 3.38Å; L32-L37 HydrophobicContact CD2-CB 3.77Å; L32-L37 PolarHBondContact O-N 2.91Å; L35-L37 HydrophobicContact CB-CD1 3.77Å; L35-L37 HydrophobicContact CB-CG 3.89Å; L35-L37 HydrophobicContact CD1-CD1 4.07Å; L35-L37 PolarHBondContact O-N 3.49Å; L37-P41 HydrophobicContact CD1-CG 3.68Å; L37-W281 HydrophobicContact CD1-CZ2 4.12Å | ||
| 38 | S | 80 | Confident | 76.3 | Confident | 118 Ų | 118 | 79.4 Ų | 79.4 | 83% | 0.825 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -83.3 | -28.3 | 176.6 | -50 | 0 | 0 | 0 | 0 | 112.7 | ||
| 39 | E | 82.5 | Confident | 74.8 | Confident | 160 Ų | 160 | 86.7 Ų | 86.7 | 75% | 0.748 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -140.8 | 159 | -176.9 | -66.3 | -176.7 | -179.5 | 0 | 0 | 110.6 | P41 | E39-P41 WeakPolarHBondContact O-CD 3.08Š|
| 40 | V | 79.9 | Confident | 73.6 | Confident | 45 Ų | 45 | 92.9 Ų | 92.9 | 27% | 0.273 | 48% | 0.476 | S | S | . | . | trans | -66 | 123.5 | 177.9 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | L28 V42 W277 W281 | L28-V40 HydrophobicContact CD1-CG2 3.51Å; L28-V40 HydrophobicContact CD2-CG2 4.39Å; V40-V42 PolarHBondContact O-N 3.47Å; V40-W277 HydrophobicContact CG2-CB 4.34Å; V40-W281 HydrophobicContact CB-CZ3 4.29Å; V40-W281 HydrophobicContact CG1-CD2 4.14Å; V40-W281 HydrophobicContact CG1-CE3 3.61Å; V40-W281 HydrophobicContact CG1-CZ3 3.84Å; V40-W281 HydrophobicContact CG2-CE3 4.43Å; V40-W281 HydrophobicContact CG2-CH2 4.43Å; V40-W281 HydrophobicContact CG2-CZ3 3.86Å | ||
| 41 | P | 79.8 | Confident | 72.8 | Confident | 33 Ų | 33 | 92.4 Ų | 92.4 | 21% | 0.214 | 47% | 0.47 | C | S | . | . | trans | -62.1 | 127.6 | 173.1 | -17.8 | 30.8 | 0 | 0 | 0 | 109.5 | L37 E39 P43 W281 | L37-P41 HydrophobicContact CD1-CG 3.68Å; E39-P41 WeakPolarHBondContact O-CD 3.08Å; P41-P43 WeakPolarHBondContact O-CD 3.02Å; P41-W281 VanDerWaalsContact CD-CE2 3.48Å; P41-W281 VanDerWaalsContact CD-CZ2 3.41Å; P41-W281 HydrophobicContact CG-CZ2 4.04Å | ||
| 42 | V | 68 | Low | 72.5 | Confident | 130 Ų | 130 | 98 Ų | 98 | 79% | 0.788 | 50% | 0.503 | S | S | * | . | trans | -90.4 | 105.6 | 171.4 | -176 | 0 | 0 | 0 | 0 | 107.8 | V40 | V40-V42 PolarHBondContact O-N 3.47Š| ||
| 43 | P | 63.7 | Low | 72.2 | Confident | 22 Ų | 22 | 98 Ų | 98 | 14% | 0.143 | 50% | 0.503 | C | S | . | . | trans | -71.6 | 138.6 | 175.7 | 27.5 | -33.1 | 0 | 0 | 0 | 111 | P41 R45 M48 N280 | P41-P43 WeakPolarHBondContact O-CD 3.02Å; P43-R45 PolarHBondContact O-N 3Å; P43-M48 HydrophobicContact CB-CG 4.34Å; P43-M48 HydrophobicContact CB-SD 3.83Å; P43-M48 HydrophobicContact CG-SD 3.72Å; P43-N280 HydrophobicContact CG-CB 3.76Å; P43-N280 WeakPolarHBondContact CG-O 3.43Å | ||
| 44 | D | 63.7 | Low | 72.3 | Confident | 77 Ų | 77 | 92.4 Ų | 92.4 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | trans | -67.8 | 123 | 176.6 | -63.2 | -54.4 | 0 | 0 | 0 | 109.7 | V46 N47 K331 | D44-V46 PolarHBondContact O-N 3.3Å; D44-N47 PolarHBondContact O-N 3.13Å; D44-K331 IonicContact OD2-NZ 2.81Å; D44-K331 PolarHBondContact OD2-NZ 3.19Å | ||
| 45 | R | 57.6 | Low | 72.4 | Confident | 204 Ų | 204 | 92.3 Ų | 92.3 | 77% | 0.77 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -51.5 | -34.5 | -173.7 | -72.5 | -173.7 | 177.3 | -177.6 | -1.6 | 114.5 | P43 N47 M48 | P43-R45 PolarHBondContact O-N 3Å; R45-N47 VanDerWaalsContact C-N 3.34Å; R45-N47 PolarHBondContact O-N 3.28Å; R45-M48 PolarHBondContact O-N 2.83Å |
| 46 | V | 51.6 | Low | 72.5 | Confident | 120 Ų | 120 | 97 Ų | 97 | 73% | 0.727 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -68.2 | -29.4 | -178.2 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | D44 M48 | D44-V46 PolarHBondContact O-N 3.3Å; V46-M48 VanDerWaalsContact C-N 3.35Å |
| 47 | N | 56.8 | Low | 72.8 | Confident | 62 Ų | 62 | 88.8 Ų | 88.8 | 33% | 0.332 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -85.4 | -4.9 | -178.1 | -81.2 | -26 | 0 | 0 | 0 | 113.7 | D44 R45 | D44-N47 PolarHBondContact O-N 3.13Å; R45-N47 VanDerWaalsContact C-N 3.34Å; R45-N47 PolarHBondContact O-N 3.28Å |
| 48 | M | 57 | Low | 72.9 | Confident | 35 Ų | 35 | 92.9 Ų | 92.9 | 17% | 0.172 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -28.7 | -174.8 | -65.4 | -162.9 | -60.3 | 0 | 0 | 113.8 | P43 R45 V46 E50 L51 N280 | P43-M48 HydrophobicContact CB-CG 4.34Å; P43-M48 HydrophobicContact CB-SD 3.83Å; P43-M48 HydrophobicContact CG-SD 3.72Å; R45-M48 PolarHBondContact O-N 2.83Å; V46-M48 VanDerWaalsContact C-N 3.35Å; M48-E50 PolarHBondContact O-N 2.02Å; M48-L51 WeakPolarHBondContact O-CB 3.33Å; M48-L51 PolarHBondContact O-N 2.86Å; M48-L51 VanDerWaalsContact O-N 3.15Å; M48-N280 HydrophobicContact CE-CB 3.38Å; M48-N280 WeakPolarHBondContact CE-OD1 3.49Å; M48-N280 HydrophobicContact SD-CB 3.34Å; M48-N280 WeakPolarHBondContact SD-CB 3.34Å; M48-N280 VanDerWaalsContact SD-O 3.37Å |
| 49 | E | 56.4 | Low | 73.1 | Confident | 186 Ų | 186 | 90.2 Ų | 90.2 | 87% | 0.869 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22 | 176.2 | -66 | -179.9 | 166.2 | 0 | 0 | 112.1 | ||
| 50 | E | 59.5 | Low | 73.4 | Confident | 168 Ų | 168 | 87.6 Ų | 87.6 | 79% | 0.785 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -0.6 | 174.3 | -69.2 | -173.6 | 166.7 | 0 | 0 | 114.1 | M48 V52 | M48-E50 PolarHBondContact O-N 2.02Å; E50-V52 PolarHBondContact O-N 3.49Å |
| 51 | L | 69.5 | Low | 73.8 | Confident | 37 Ų | 37 | 86.5 Ų | 86.5 | 19% | 0.194 | 45% | 0.453 | C | S | . | . | trans | -79.3 | 85 | -170.6 | -164.1 | 74.8 | 0 | 0 | 0 | 112 | M48 L283 T336 | M48-L51 WeakPolarHBondContact O-CB 3.33Å; M48-L51 PolarHBondContact O-N 2.86Å; M48-L51 VanDerWaalsContact O-N 3.15Å; L51-L283 HydrophobicContact CD2-CD1 3.64Å; L51-L283 HydrophobicContact CD2-CD2 3.96Å; L51-L283 HydrophobicContact CD2-CG 4.42Å; L51-T336 HydrophobicContact CD1-CG2 4.1Å; L51-T336 WeakPolarHBondContact CD1-O 3.3Å; L51-T336 HydrophobicContact CD2-CG2 4.19Å | ||
| 52 | V | 78.8 | Confident | 74.2 | Confident | 117 Ų | 117 | 87.6 Ų | 87.6 | 71% | 0.709 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 121.1 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | E50 P54 | E50-V52 PolarHBondContact O-N 3.49Å; V52-P54 WeakPolarHBondContact O-CD 3.32Å |
| 53 | I | 83 | Confident | 75.1 | Confident | 26 Ų | 26 | 83.7 Ų | 83.7 | 13% | 0.133 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 116.2 | 174.4 | -57.6 | 173 | 0 | 0 | 0 | 109.7 | V57 R58 L283 E284 I327 | I53-V57 HydrophobicContact CG2-CB 4.11Å; I53-V57 HydrophobicContact CG2-CG1 4Å; I53-R58 HydrophobicContact CG2-CB 4.38Å; I53-L283 HydrophobicContact CD1-CB 4.2Å; I53-L283 HydrophobicContact CD1-CD1 4.48Å; I53-L283 HydrophobicContact CG1-CD1 4.21Å; I53-E284 HydrophobicContact CD1-CG 4.09Å; I53-I327 HydrophobicContact CD1-CD1 4.14Å; I53-I327 HydrophobicContact CD1-CG2 4.44Å; I53-I327 HydrophobicContact CG2-CD1 4.05Å |
| 54 | P | 90.8 | Very high | 76.1 | Confident | 43 Ų | 43 | 84.7 Ų | 84.7 | 28% | 0.279 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 150 | -179.4 | -23.3 | 33.8 | 0 | 0 | 0 | 112.9 | V52 H56 V57 R58 P338 | V52-P54 WeakPolarHBondContact O-CD 3.32Å; P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 WeakPolarHBondContact CB-CE1 3.41Å; P54-H56 WeakPolarHBondContact CB-ND1 3.32Å; P54-H56 PolarHBondContact O-N 2.76Å; P54-V57 HydrophobicContact CB-CG2 4.15Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 PolarHBondContact O-N 3.37Å; P54-V57 VanDerWaalsContact O-N 3.13Å; P54-R58 PolarHBondContact O-N 2.78Å; P54-P338 HydrophobicContact CG-CG 4.23Å |
| 55 | A | 87.1 | Confident | 77 | Confident | 82 Ų | 82 | 83 Ų | 83 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.3 | -36 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R58 A59 | A55-R58 PolarHBondContact O-N 2.68Å; A55-A59 WeakPolarHBondContact O-CB 3.41Å; A55-A59 PolarHBondContact O-N 3.5Å |
| 56 | H | 88.3 | Confident | 78.2 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 62% | 0.62 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -68.5 | -41 | 178.5 | 65.5 | -90.9 | 0 | 0 | 0 | 112.5 | P54 A59 Q60 | P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 WeakPolarHBondContact CB-CE1 3.41Å; P54-H56 WeakPolarHBondContact CB-ND1 3.32Å; P54-H56 PolarHBondContact O-N 2.76Å; H56-A59 PolarHBondContact O-N 2.91Å; H56-Q60 PolarHBondContact O-N 3.49Å |
| 57 | V | 89.9 | Confident | 79.4 | Confident | 8 Ų | 8 | 86.7 Ų | 86.7 | 5% | 0.048 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 174.9 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | I53 P54 A59 Q60 Y61 I327 V340 | I53-V57 HydrophobicContact CG2-CB 4.11Å; I53-V57 HydrophobicContact CG2-CG1 4Å; P54-V57 HydrophobicContact CB-CG2 4.15Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 PolarHBondContact O-N 3.37Å; P54-V57 VanDerWaalsContact O-N 3.13Å; V57-A59 PolarHBondContact O-N 2.86Å; V57-Q60 PolarHBondContact O-N 2.73Å; V57-Y61 WeakPolarHBondContact O-CB 3.08Å; V57-Y61 PolarHBondContact O-N 2.86Å; V57-I327 HydrophobicContact CG1-CD1 4.37Å; V57-I327 HydrophobicContact CG1-CG2 4.2Å; V57-V340 HydrophobicContact CB-CG2 4.5Å; V57-V340 HydrophobicContact CG1-CG2 3.53Å; V57-V340 WeakPolarHBondContact O-CG2 3.18Å |
| 58 | R | 86.3 | Confident | 79.8 | Confident | 143 Ų | 143 | 84.3 Ų | 84.3 | 54% | 0.54 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 176.8 | -170.2 | -178.1 | -63.3 | 177.2 | 1.2 | 112 | I53 P54 A55 Q60 Y61 V62 | I53-R58 HydrophobicContact CG2-CB 4.38Å; P54-R58 PolarHBondContact O-N 2.78Å; A55-R58 PolarHBondContact O-N 2.68Å; R58-Q60 PolarHBondContact O-N 3.4Å; R58-Y61 PolarHBondContact O-N 2.97Å; R58-V62 WeakPolarHBondContact O-CG2 3.48Å; R58-V62 PolarHBondContact O-N 3.28Å |
| 59 | A | 85.8 | Confident | 80.1 | Confident | 63 Ų | 63 | 88.2 Ų | 88.2 | 52% | 0.521 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A55 H56 V57 V62 A63 | A55-A59 WeakPolarHBondContact O-CB 3.41Å; A55-A59 PolarHBondContact O-N 3.5Å; H56-A59 PolarHBondContact O-N 2.91Å; V57-A59 PolarHBondContact O-N 2.86Å; A59-V62 PolarHBondContact O-N 3.4Å; A59-A63 WeakPolarHBondContact O-CB 3.37Å; A59-A63 PolarHBondContact O-N 2.95Å |
| 60 | Q | 88.9 | Confident | 79.9 | Confident | 105 Ų | 105 | 81.8 Ų | 81.8 | 49% | 0.491 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.3 | -177.5 | -178.2 | -0.6 | 0 | 0 | 111.7 | H56 V57 R58 A63 L64 V340 | H56-Q60 PolarHBondContact O-N 3.49Å; V57-Q60 PolarHBondContact O-N 2.73Å; R58-Q60 PolarHBondContact O-N 3.4Å; Q60-A63 PolarHBondContact O-N 3.15Å; Q60-L64 PolarHBondContact O-N 3.07Å; Q60-L64 VanDerWaalsContact O-N 3.12Å; Q60-V340 HydrophobicContact CB-CG2 4.26Å; Q60-V340 HydrophobicContact CG-CB 4.47Å; Q60-V340 HydrophobicContact CG-CG2 4.23Å |
| 61 | Y | 88.1 | Confident | 78.7 | Confident | 22 Ų | 22 | 81.8 Ų | 81.8 | 9% | 0.086 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 176.5 | 172.3 | -105.9 | 0 | 0 | 0 | 112.2 | V57 R58 A63 L64 L65 E284 P325 I327 | V57-Y61 WeakPolarHBondContact O-CB 3.08Å; V57-Y61 PolarHBondContact O-N 2.86Å; R58-Y61 PolarHBondContact O-N 2.97Å; Y61-A63 VanDerWaalsContact C-N 3.31Å; Y61-A63 PolarHBondContact O-N 3.1Å; Y61-L64 PolarHBondContact O-N 3.06Å; Y61-L65 HydrophobicContact CD1-CD1 3.8Å; Y61-L65 HydrophobicContact CE1-CD1 3.21Å; Y61-L65 HydrophobicContact CE1-CG 4.09Å; Y61-L65 HydrophobicContact CE2-CD1 4.21Å; Y61-L65 HydrophobicContact CE2-CG 4.24Å; Y61-L65 HydrophobicContact CG-CD1 4.49Å; Y61-L65 VanDerWaalsContact CZ-CD1 3.45Å; Y61-L65 PolarHBondContact O-N 2.91Å; Y61-E284 HydrophobicContact CE1-CB 4.37Å; Y61-E284 HydrophobicContact CE2-CB 4.39Å; Y61-P325 HydrophobicContact CD2-CB 3.99Å; Y61-P325 HydrophobicContact CD2-CG 4.42Å; Y61-P325 HydrophobicContact CE2-CB 4.12Å; Y61-P325 HydrophobicContact CE2-CG 4.21Å; Y61-P325 WeakPolarHBondContact CE2-O 3.5Å; Y61-I327 HydrophobicContact CD1-CD1 4.08Å; Y61-I327 HydrophobicContact CD2-CD1 4.11Å; Y61-I327 HydrophobicContact CD2-CG1 3.69Å; Y61-I327 HydrophobicContact CE2-CG1 4.25Å; Y61-I327 HydrophobicContact CG-CD1 3.76Å; Y61-I327 HydrophobicContact CG-CG1 3.86Å |
| 62 | V | 87.3 | Confident | 77.4 | Confident | 56 Ų | 56 | 89.2 Ų | 89.2 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.6 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | R58 A59 L64 L65 R66 | R58-V62 WeakPolarHBondContact O-CG2 3.48Å; R58-V62 PolarHBondContact O-N 3.28Å; A59-V62 PolarHBondContact O-N 3.4Å; V62-L64 VanDerWaalsContact C-N 3.34Å; V62-L64 PolarHBondContact O-N 3.1Å; V62-L65 PolarHBondContact O-N 3.25Å; V62-R66 WeakPolarHBondContact O-CG 3.45Å; V62-R66 PolarHBondContact O-N 2.75Å |
| 63 | A | 86.1 | Confident | 75.3 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A59 Q60 Y61 R67 | A59-A63 WeakPolarHBondContact O-CB 3.37Å; A59-A63 PolarHBondContact O-N 2.95Å; Q60-A63 PolarHBondContact O-N 3.15Å; Y61-A63 VanDerWaalsContact C-N 3.31Å; Y61-A63 PolarHBondContact O-N 3.1Å; A63-R67 PolarHBondContact O-N 2.78Å |
| 64 | L | 85.6 | Confident | 73.1 | Confident | 44 Ų | 44 | 99.9 Ų | 99.9 | 23% | 0.23 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -70.1 | -39.7 | 176 | -69.3 | 175 | 0 | 0 | 0 | 112.2 | Q60 Y61 V62 R66 R67 S68 P325 V340 | Q60-L64 PolarHBondContact O-N 3.07Å; Q60-L64 VanDerWaalsContact O-N 3.12Å; Y61-L64 PolarHBondContact O-N 3.06Å; V62-L64 VanDerWaalsContact C-N 3.34Å; V62-L64 PolarHBondContact O-N 3.1Å; L64-R66 PolarHBondContact O-N 3.36Å; L64-R67 PolarHBondContact O-N 3.26Å; L64-S68 PolarHBondContact O-N 3.23Å; L64-S68 VanDerWaalsContact O-N 3.1Å; L64-P325 HydrophobicContact CB-CB 3.72Å; L64-P325 HydrophobicContact CB-CG 4.01Å; L64-P325 HydrophobicContact CD1-CB 4.17Å; L64-V340 HydrophobicContact CD1-CG1 3.81Å |
| 65 | L | 83.3 | Confident | 70.2 | Confident | 41 Ų | 41 | 101.2 Ų | 101.2 | 22% | 0.215 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -57.6 | -48.7 | 174 | -81.5 | 174.1 | 0 | 0 | 0 | 111.3 | Y61 V62 R67 S68 H69 P325 | Y61-L65 HydrophobicContact CD1-CD1 3.8Å; Y61-L65 HydrophobicContact CE1-CD1 3.21Å; Y61-L65 HydrophobicContact CE1-CG 4.09Å; Y61-L65 HydrophobicContact CE2-CD1 4.21Å; Y61-L65 HydrophobicContact CE2-CG 4.24Å; Y61-L65 HydrophobicContact CG-CD1 4.49Å; Y61-L65 VanDerWaalsContact CZ-CD1 3.45Å; Y61-L65 PolarHBondContact O-N 2.91Å; V62-L65 PolarHBondContact O-N 3.25Å; L65-R67 PolarHBondContact O-N 2.92Å; L65-R67 VanDerWaalsContact O-N 3.16Å; L65-S68 PolarHBondContact O-N 3.1Å; L65-S68 VanDerWaalsContact O-N 3.07Å; L65-S68 PolarHBondContact O-OG 2.88Å; L65-H69 PolarHBondContact O-CD2 3.43Å; L65-H69 PolarHBondContact O-N 2.82Å; L65-P325 HydrophobicContact CB-CG 4.46Å; L65-P325 HydrophobicContact CD2-CG 3.65Å; L65-P325 HydrophobicContact CG-CG 3.75Å |
| 66 | R | 81.4 | Confident | 67.4 | Low | 200 Ų | 200 | 106.1 Ų | 106.1 | 76% | 0.755 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.6 | -33.3 | -180 | -72.8 | 179.5 | 179.5 | -175.7 | 0.3 | 113 | V62 L64 | V62-R66 WeakPolarHBondContact O-CG 3.45Å; V62-R66 PolarHBondContact O-N 2.75Å; L64-R66 PolarHBondContact O-N 3.36Å |
| 67 | R | 77.1 | Confident | 64.6 | Low | 202 Ų | 202 | 109 Ų | 109 | 76% | 0.762 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.5 | -35.6 | 176.8 | -68.9 | 177.3 | -176.7 | -177.8 | 1.3 | 112.9 | A63 L64 L65 H69 | A63-R67 PolarHBondContact O-N 2.78Å; L64-R67 PolarHBondContact O-N 3.26Å; L65-R67 PolarHBondContact O-N 2.92Å; L65-R67 VanDerWaalsContact O-N 3.16Å; R67-H69 VanDerWaalsContact C-N 3.25Å; R67-H69 PolarHBondContact O-N 3.4Å |
| 68 | S | 66.2 | Low | 61.7 | Low | 11 Ų | 11 | 116.8 Ų | 116.8 | 8% | 0.077 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -71.9 | -20.8 | -179.6 | 72.7 | 0 | 0 | 0 | 0 | 113.1 | L64 L65 S323 R347 | L64-S68 PolarHBondContact O-N 3.23Å; L64-S68 VanDerWaalsContact O-N 3.1Å; L65-S68 PolarHBondContact O-N 3.1Å; L65-S68 VanDerWaalsContact O-N 3.07Å; L65-S68 PolarHBondContact O-OG 2.88Å; S68-S323 VanDerWaalsContact CB-O 3.3Å; S68-S323 WeakPolarHBondContact CB-O 3.48Å; S68-R347 PolarHBondContact O-NH2 3.07Å; S68-R347 PolarHBondContact OG-NH2 3.36Å |
| 69 | H | 62.2 | Low | 59.1 | Low | 117 Ų | 117 | 113.5 Ų | 113.5 | 54% | 0.542 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.8 | 13.1 | -178.2 | -79.3 | -98.5 | 0 | 0 | 0 | 115.1 | L65 R67 R347 | L65-H69 PolarHBondContact O-CD2 3.43Å; L65-H69 PolarHBondContact O-N 2.82Å; R67-H69 VanDerWaalsContact C-N 3.25Å; R67-H69 PolarHBondContact O-N 3.4Å; H69-R347 PolarHBondContact CD2-NH2 3.45Å; H69-R347 VanDerWaalsContact CD2-NH2 3.29Å; H69-R347 PolarHBondContact CE1-NH1 3.39Å; H69-R347 PolarHBondContact NE2-NH1 3Å; H69-R347 PolarHBondContact NE2-NH2 3.04Å |
| 70 | G | 53.4 | Low | 56.3 | Low | 52 Ų | 52 | 118.9 Ų | 118.9 | 54% | 0.536 | 58% | 0.58 | S | S | . | * | trans | -55.4 | 150.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 71 | D | 34.7 | Very low | 53.5 | Low | 167 Ų | 167 | 118.5 Ų | 118.5 | 89% | 0.893 | 59% | 0.588 | S | S | * | * | trans | -49.3 | 131.7 | -158.7 | -85.2 | -50.2 | 0 | 0 | 0 | 119.9 | S73 | D71-S73 PolarHBondContact O-N 3.1Š| ||
| 72 | R | 41.2 | Very low | 51 | Low | 193 Ų | 193 | 123.6 Ų | 123.6 | 73% | 0.728 | 61% | 0.611 | S | S | * | * | trans | -70.2 | 100.9 | 169.6 | -73.9 | 175.2 | 160.4 | 172 | -10.6 | 111 | R74 D250 | R72-R74 PolarHBondContact O-N 3.22Å; R72-D250 IonicContact NH2-OD2 3.98Å | ||
| 73 | S | 35.2 | Very low | 48.7 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 63% | 0.627 | S | S | * | * | trans | -74.5 | 113.3 | 175.3 | 63 | 0 | 0 | 0 | 0 | 112.4 | D71 G75 | D71-S73 PolarHBondContact O-N 3.1Å; S73-G75 PolarHBondContact O-N 2.82Å | ||
| 74 | R | 36 | Very low | 46.8 | Very low | 247 Ų | 247 | 132.2 Ų | 132.2 | 93% | 0.932 | 63% | 0.632 | S | S | * | * | trans | -74.2 | 107.8 | 176.6 | -74.9 | 177.3 | 172.6 | 174.7 | -2.9 | 110.8 | R72 | R72-R74 PolarHBondContact O-N 3.22Š| ||
| 75 | G | 30.5 | Very low | 45.2 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 62% | 0.623 | S | S | * | * | trans | -74.8 | 126.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S73 | S73-G75 PolarHBondContact O-N 2.82Š| ||
| 76 | K | 27.9 | Very low | 43.6 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 80% | 0.8 | 64% | 0.635 | S | S | * | * | trans | -83.4 | 150.9 | 175.2 | -72.3 | -179.2 | -179.7 | 178.6 | 0 | 111.9 | ||||
| 77 | R | 30.6 | Very low | 42 | Very low | 196 Ų | 196 | 121.7 Ų | 121.7 | 74% | 0.74 | 60% | 0.599 | S | S | * | * | trans | -100.8 | 107.3 | -160.6 | -163.4 | -172 | -137.9 | 173.6 | 4.3 | 110.6 | R243 | R77-R243 VanDerWaalsContact CG-NH2 3.29Š| ||
| 78 | F | 27.7 | Very low | 40.8 | Very low | 171 Ų | 171 | 119.8 Ų | 119.8 | 75% | 0.75 | 59% | 0.592 | S | S | * | * | trans | -146.7 | 130 | 159.1 | -66.9 | -72.8 | 0 | 0 | 0 | 109.4 | ||||
| 79 | S | 31.6 | Very low | 40.1 | Very low | 73 Ų | 73 | 122 Ų | 122 | 51% | 0.51 | 60% | 0.6 | S | S | . | * | trans | -117.9 | 137.2 | 177.6 | 168.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 80 | H | 28.1 | Very low | 39.3 | Very low | 177 Ų | 177 | 121 Ų | 121 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | trans | -175.8 | 141.7 | 142.8 | -110.5 | -93.4 | 0 | 0 | 0 | 108.5 | ||||
| 81 | S | 29 | Very low | 39.1 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 67% | 0.671 | 59% | 0.594 | S | S | * | * | trans | -112.7 | 153.8 | -174.5 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 82 | F | 35.2 | Very low | 39.7 | Very low | 130 Ų | 130 | 116.8 Ų | 116.8 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | trans | 82.4 | 115.4 | 168.7 | -143.4 | -102.3 | 0 | 0 | 0 | 118.3 | E84 | F82-E84 HydrophobicContact CE1-CG 3.64Å; F82-E84 WeakPolarHBondContact CE1-OE1 3.37Å; F82-E84 HydrophobicContact CZ-CG 3.96Å | ||
| 83 | R | 40.2 | Very low | 40.5 | Very low | 178 Ų | 178 | 114.5 Ų | 114.5 | 67% | 0.672 | 58% | 0.575 | S | S | * | * | trans | -156.6 | 96.4 | 173.7 | -115.6 | 177.8 | -175.9 | -173 | 2.3 | 109.2 | ||||
| 84 | E | 44.9 | Very low | 41.8 | Very low | 105 Ų | 105 | 114 Ų | 114 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | trans | -53.1 | 142.4 | 165 | -72.6 | 169.2 | -169 | 0 | 0 | 110 | F82 | F82-E84 HydrophobicContact CE1-CG 3.64Å; F82-E84 WeakPolarHBondContact CE1-OE1 3.37Å; F82-E84 HydrophobicContact CZ-CG 3.96Å | ||
| 85 | M | 52 | Low | 43.6 | Very low | 8 Ų | 8 | 104.4 Ų | 104.4 | 4% | 0.039 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.6 | 178.3 | -67.1 | 179.7 | -81.5 | 0 | 0 | 110.1 | F101 M103 R106 Q234 L235 L237 | M85-F101 HydrophobicContact CB-CD1 3.84Å; M85-F101 HydrophobicContact CB-CE1 4.32Å; M85-F101 HydrophobicContact SD-CB 4.26Å; M85-F101 HydrophobicContact SD-CD1 4.39Å; M85-M103 HydrophobicContact CE-CE 4.33Å; M85-M103 HydrophobicContact CE-SD 3.78Å; M85-M103 HydrophobicContact SD-SD 3.62Å; M85-M103 VanDerWaalsContact SD-SD 3.62Å; M85-R106 HydrophobicContact SD-CG 4.3Å; M85-Q234 WeakPolarHBondContact O-CA 3.34Å; M85-L235 HydrophobicContact CB-CB 4.31Å; M85-L235 HydrophobicContact CE-CB 3.82Å; M85-L235 HydrophobicContact CE-CD2 3.38Å; M85-L235 HydrophobicContact CE-CG 3.46Å; M85-L235 VanDerWaalsContact CE-CG 3.46Å; M85-L235 PolarHBondContact O-N 2.75Å; M85-L235 VanDerWaalsContact O-N 3.16Å; M85-L235 HydrophobicContact SD-CD2 4.35Å; M85-L237 HydrophobicContact CE-CD1 3.62Å; M85-L237 HydrophobicContact CE-CD2 4.25Å; M85-L237 HydrophobicContact CE-CG 3.74Å |
| 86 | A | 50.5 | Low | 46.1 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 116.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | E232 | A86-E232 WeakPolarHBondContact CB-OE2 3.31Å |
| 87 | G | 48.9 | Very low | 48.8 | Very low | 1 Ų | 1 | 95.2 Ų | 95.2 | 1% | 0.01 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 134.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q224 P233 | G87-Q224 PolarHBondContact O-NE2 3.4Å; G87-P233 PolarHBondContact N-O 3.07Å |
| 88 | R | 50.7 | Low | 51.4 | Low | 162 Ų | 162 | 87.6 Ų | 87.6 | 61% | 0.611 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 130.7 | 173.8 | -172.6 | 175.8 | 176 | -174 | -1.6 | 110.1 | L90 V100 | R88-L90 HydrophobicContact CG-CD2 4.05Å; R88-V100 PolarHBondContact N-O 2.88Å; R88-V100 VanDerWaalsContact N-O 3.12Å; R88-V100 PolarHBondContact O-N 3.32Å |
| 89 | F | 50.7 | Low | 54.2 | Low | 56 Ų | 56 | 79.6 Ų | 79.6 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.1 | 177.7 | -168.3 | -94.5 | 0 | 0 | 0 | 111 | A91 S92 H97 L99 | F89-A91 WeakPolarHBondContact CE1-O 3.4Å; F89-A91 WeakPolarHBondContact CZ-O 3.48Å; F89-S92 VanDerWaalsContact CE1-CB 3.44Å; F89-S92 VanDerWaalsContact CZ-CA 3.44Å; F89-H97 HydrophobicContact CD2-CB 4.41Å; F89-H97 VanDerWaalsContact CE2-CA 3.48Å; F89-H97 HydrophobicContact CE2-CB 3.49Å; F89-H97 VanDerWaalsContact CE2-CB 3.49Å; F89-H97 AromaticContact CE2-CG 3.61Å; F89-H97 AromaticContact CE2-ND1 3.05Å; F89-H97 WeakPolarHBondContact CE2-ND1 3.45Å; F89-H97 HydrophobicContact CZ-CB 4.27Å; F89-H97 AromaticContact CZ-ND1 3.24Å; F89-H97 WeakPolarHBondContact CZ-ND1 3Å; F89-L99 HydrophobicContact CD2-CD2 4.4Å |
| 90 | L | 46.9 | Very low | 56.8 | Low | 98 Ų | 98 | 77.4 Ų | 77.4 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -15.9 | -176 | -66 | -176.3 | 0 | 0 | 0 | 115.5 | R88 L98 V100 | R88-L90 HydrophobicContact CG-CD2 4.05Å; L90-L98 PolarHBondContact N-O 2.93Å; L90-V100 HydrophobicContact CD1-CB 4.44Å; L90-V100 HydrophobicContact CD1-CG2 3.52Å; L90-V100 HydrophobicContact CG-CG2 4.01Å |
| 91 | A | 48.6 | Very low | 59.5 | Low | 54 Ų | 54 | 69 Ų | 69 | 45% | 0.446 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 123.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F89 L98 | F89-A91 WeakPolarHBondContact CE1-O 3.4Å; F89-A91 WeakPolarHBondContact CZ-O 3.48Å; A91-L98 PolarHBondContact O-N 2.96Å |
| 92 | S | 48.4 | Very low | 62 | Low | 75 Ų | 75 | 66.7 Ų | 66.7 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 102.7 | 166.5 | -157.6 | 0 | 0 | 0 | 0 | 108.2 | F89 T96 | F89-S92 VanDerWaalsContact CE1-CB 3.44Å; F89-S92 VanDerWaalsContact CZ-CA 3.44Å; S92-T96 WeakPolarHBondContact CA-O 3.11Å |
| 93 | E | 57 | Low | 64.1 | Low | 146 Ų | 146 | 60.7 Ų | 60.7 | 68% | 0.682 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 155.7 | 141.9 | -68.3 | -178.1 | 169 | 0 | 0 | 106.6 | S95 T96 | E93-S95 PolarHBondContact O-N 3.12Å; E93-T96 PolarHBondContact N-O 3.09Å; E93-T96 PolarHBondContact O-N 2.93Å; E93-T96 VanDerWaalsContact O-O 3.11Å |
| 94 | A | 63.3 | Low | 65.4 | Low | 109 Ų | 109 | 60 Ų | 60 | 90% | 0.901 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -11 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 95 | S | 73.1 | Confident | 66.4 | Low | 46 Ų | 46 | 63.4 Ų | 63.4 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | 3.3 | 178.2 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | E93 S202 V203 | E93-S95 PolarHBondContact O-N 3.12Å; S95-S202 CarbonylContact O-C 3.51Å; S95-S202 WeakPolarHBondContact O-CA 3.26Å; S95-V203 WeakPolarHBondContact CB-O 3.45Å; S95-V203 PolarHBondContact O-N 2.84Å |
| 96 | T | 82.9 | Confident | 67.3 | Low | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.7 | -174.6 | -50.3 | 0 | 0 | 0 | 0 | 109.7 | S92 E93 Q200 V201 | S92-T96 WeakPolarHBondContact CA-O 3.11Å; E93-T96 PolarHBondContact N-O 3.09Å; E93-T96 PolarHBondContact O-N 2.93Å; E93-T96 VanDerWaalsContact O-O 3.11Å; T96-Q200 HydrophobicContact CG2-CG 3.68Å; T96-V201 CarbonylContact C-O 3.57Å; T96-V201 WeakPolarHBondContact CA-O 3.42Å |
| 97 | H | 83.9 | Confident | 68.3 | Low | 31 Ų | 31 | 65.5 Ų | 65.5 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 115.9 | -168.6 | -69.6 | -62.1 | 0 | 0 | 0 | 109.5 | F89 V201 | F89-H97 HydrophobicContact CD2-CB 4.41Å; F89-H97 VanDerWaalsContact CE2-CA 3.48Å; F89-H97 HydrophobicContact CE2-CB 3.49Å; F89-H97 VanDerWaalsContact CE2-CB 3.49Å; F89-H97 AromaticContact CE2-CG 3.61Å; F89-H97 AromaticContact CE2-ND1 3.05Å; F89-H97 WeakPolarHBondContact CE2-ND1 3.45Å; F89-H97 HydrophobicContact CZ-CB 4.27Å; F89-H97 AromaticContact CZ-ND1 3.24Å; F89-H97 WeakPolarHBondContact CZ-ND1 3Å; H97-V201 HydrophobicContact CB-CB 4.17Å; H97-V201 PolarHBondContact N-O 3.46Å; H97-V201 PolarHBondContact O-N 3.24Å |
| 98 | L | 86.1 | Confident | 69.3 | Low | 36 Ų | 36 | 67.1 Ų | 67.1 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.1 | 174.7 | -176.3 | 64 | 0 | 0 | 0 | 110.8 | L90 A91 V100 L150 L198 | L90-L98 PolarHBondContact N-O 2.93Å; A91-L98 PolarHBondContact O-N 2.96Å; L98-V100 HydrophobicContact CG-CG2 4.47Å; L98-L150 HydrophobicContact CD1-CD2 3.74Å; L98-L198 HydrophobicContact CD1-CB 4.37Å |
| 99 | L | 86.9 | Confident | 70 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.5 | 176.6 | -56 | 177.5 | 0 | 0 | 0 | 110.4 | F89 F101 L118 L120 L198 L199 V201 P233 | F89-L99 HydrophobicContact CD2-CD2 4.4Å; L99-F101 HydrophobicContact CB-CD2 4.36Å; L99-F101 HydrophobicContact CB-CE2 3.56Å; L99-F101 HydrophobicContact CB-CZ 4.04Å; L99-F101 HydrophobicContact CD1-CE2 4.2Å; L99-F101 HydrophobicContact CD1-CZ 4.19Å; L99-L118 HydrophobicContact CD1-CD1 3.91Å; L99-L118 HydrophobicContact CD1-CD2 4.07Å; L99-L120 HydrophobicContact CD1-CD2 3.97Å; L99-L198 WeakPolarHBondContact O-CA 3.37Å; L99-L199 HydrophobicContact CB-CB 4.41Å; L99-L199 PolarHBondContact N-O 3.31Å; L99-L199 PolarHBondContact O-N 3.46Å; L99-V201 HydrophobicContact CD1-CG2 3.86Å; L99-V201 HydrophobicContact CG-CG2 4.42Å; L99-P233 HydrophobicContact CD1-CB 4.08Å; L99-P233 HydrophobicContact CD2-CB 3.92Å; L99-P233 HydrophobicContact CD2-CG 3.8Å |
| 100 | V | 86.4 | Confident | 70.8 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.2 | 178.6 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | R88 L90 L98 P196 L198 | R88-V100 PolarHBondContact N-O 2.88Å; R88-V100 VanDerWaalsContact N-O 3.12Å; R88-V100 PolarHBondContact O-N 3.32Å; L90-V100 HydrophobicContact CD1-CB 4.44Å; L90-V100 HydrophobicContact CD1-CG2 3.52Å; L90-V100 HydrophobicContact CG-CG2 4.01Å; L98-V100 HydrophobicContact CG-CG2 4.47Å; V100-P196 HydrophobicContact CG1-CB 3.83Å; V100-P196 HydrophobicContact CG1-CG 4.02Å; V100-L198 HydrophobicContact CB-CD2 4.03Å; V100-L198 HydrophobicContact CG1-CD2 3.76Å; V100-L198 HydrophobicContact CG2-CD2 3.5Å |
| 101 | F | 84.2 | Confident | 72.1 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.3 | 179.1 | -61.2 | -81.4 | 0 | 0 | 0 | 110.8 | M85 L99 M103 L118 P196 L197 L199 L235 | M85-F101 HydrophobicContact CB-CD1 3.84Å; M85-F101 HydrophobicContact CB-CE1 4.32Å; M85-F101 HydrophobicContact SD-CB 4.26Å; M85-F101 HydrophobicContact SD-CD1 4.39Å; L99-F101 HydrophobicContact CB-CD2 4.36Å; L99-F101 HydrophobicContact CB-CE2 3.56Å; L99-F101 HydrophobicContact CB-CZ 4.04Å; L99-F101 HydrophobicContact CD1-CE2 4.2Å; L99-F101 HydrophobicContact CD1-CZ 4.19Å; F101-M103 HydrophobicContact CB-SD 4.07Å; F101-M103 PolarHBondContact O-N 2.93Å; F101-M103 VanDerWaalsContact O-N 3.16Å; F101-L118 HydrophobicContact CE2-CD1 4.27Å; F101-L118 HydrophobicContact CZ-CD1 3.79Å; F101-P196 WeakPolarHBondContact O-CA 3.47Å; F101-P196 VanDerWaalsContact O-CB 3.31Å; F101-P196 WeakPolarHBondContact O-CB 3.43Å; F101-L197 HydrophobicContact CB-CB 4.23Å; F101-L197 PolarHBondContact N-O 2.97Å; F101-L197 PolarHBondContact O-N 2.74Å; F101-L199 HydrophobicContact CD2-CD1 4.3Å; F101-L199 HydrophobicContact CD2-CG 4.49Å; F101-L199 HydrophobicContact CE2-CB 4.47Å; F101-L199 HydrophobicContact CE2-CD1 3.92Å; F101-L199 HydrophobicContact CE2-CG 4.36Å; F101-L235 HydrophobicContact CB-CD2 4.11Å; F101-L235 HydrophobicContact CD1-CB 3.69Å; F101-L235 HydrophobicContact CD1-CD2 3.9Å; F101-L235 HydrophobicContact CD1-CG 4.46Å; F101-L235 HydrophobicContact CD2-CD2 3.98Å; F101-L235 HydrophobicContact CE1-CB 3.39Å; F101-L235 HydrophobicContact CE1-CD2 4.3Å; F101-L235 HydrophobicContact CE1-CG 4.49Å; F101-L235 HydrophobicContact CE2-CB 4.44Å; F101-L235 HydrophobicContact CE2-CD2 4.37Å; F101-L235 HydrophobicContact CG-CB 4.33Å; F101-L235 HydrophobicContact CG-CD2 3.72Å; F101-L235 HydrophobicContact CZ-CB 3.81Å |
| 102 | G | 81.6 | Confident | 73.5 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | trans | -75 | 98.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E104 R106 | G102-E104 VanDerWaalsContact C-N 3.33Å; G102-R106 WeakPolarHBondContact O-CG 3.34Å | ||
| 103 | M | 78.1 | Confident | 74.8 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | trans | -87.5 | 0.6 | -174 | -62 | -60.8 | -72.7 | 0 | 0 | 114 | M85 F101 Q105 R106 L107 V184 W187 L197 L235 L237 | M85-M103 HydrophobicContact CE-CE 4.33Å; M85-M103 HydrophobicContact CE-SD 3.78Å; M85-M103 HydrophobicContact SD-SD 3.62Å; M85-M103 VanDerWaalsContact SD-SD 3.62Å; F101-M103 HydrophobicContact CB-SD 4.07Å; F101-M103 PolarHBondContact O-N 2.93Å; F101-M103 VanDerWaalsContact O-N 3.16Å; M103-Q105 PolarHBondContact O-N 3.13Å; M103-R106 PolarHBondContact O-N 2.97Å; M103-R106 VanDerWaalsContact O-N 3.16Å; M103-L107 HydrophobicContact CE-CD1 4.05Å; M103-V184 HydrophobicContact CE-CG1 3.95Å; M103-W187 HydrophobicContact CB-CD2 4.34Å; M103-W187 HydrophobicContact CB-CE3 4.34Å; M103-W187 HydrophobicContact CB-CH2 3.3Å; M103-W187 HydrophobicContact CB-CZ2 3.27Å; M103-W187 HydrophobicContact CB-CZ3 3.87Å; M103-W187 HydrophobicContact CG-CD2 4.33Å; M103-W187 HydrophobicContact CG-CH2 4.27Å; M103-W187 HydrophobicContact CG-CZ2 4.05Å; M103-L197 HydrophobicContact CE-CD2 4.49Å; M103-L197 HydrophobicContact CG-CB 3.5Å; M103-L197 HydrophobicContact SD-CB 4.13Å; M103-L197 HydrophobicContact SD-CD2 4.17Å; M103-L235 HydrophobicContact SD-CD2 4.13Å; M103-L237 HydrophobicContact CE-CD1 3.84Å; M103-L237 HydrophobicContact CE-CD2 4.4Å | ||
| 104 | E | 68.6 | Low | 75.7 | Confident | 162 Ų | 162 | 53 Ų | 53 | 76% | 0.757 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 125.4 | -176.6 | -171 | 147.7 | -146.4 | 0 | 0 | 111.4 | G102 R106 | G102-E104 VanDerWaalsContact C-N 3.33Å; E104-R106 PolarHBondContact O-N 2.88Å; E104-R106 VanDerWaalsContact O-N 3.09Å |
| 105 | Q | 65.2 | Low | 76.4 | Confident | 177 Ų | 177 | 49 Ų | 49 | 83% | 0.827 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 13 | -176.3 | -52.5 | 174.6 | 14.6 | 0 | 0 | 115.3 | M103 | M103-Q105 PolarHBondContact O-N 3.13Š|
| 106 | R | 70.8 | Confident | 76.9 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 29% | 0.291 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -21.5 | -179.5 | -60.3 | -57.9 | -176.7 | 117.8 | -2.6 | 113.9 | M85 G102 M103 E104 | M85-R106 HydrophobicContact SD-CG 4.3Å; G102-R106 WeakPolarHBondContact O-CG 3.34Å; M103-R106 PolarHBondContact O-N 2.97Å; M103-R106 VanDerWaalsContact O-N 3.16Å; E104-R106 PolarHBondContact O-N 2.88Å; E104-R106 VanDerWaalsContact O-N 3.09Å |
| 107 | L | 71.6 | Confident | 77.1 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -106.6 | 109.8 | 173.3 | -74.8 | 158 | 0 | 0 | 0 | 108.9 | M103 L113 V184 W187 Q188 L237 T239 | M103-L107 HydrophobicContact CE-CD1 4.05Å; L107-L113 HydrophobicContact CD2-CB 4.47Å; L107-L113 HydrophobicContact CD2-CD1 4.11Å; L107-V184 HydrophobicContact CD1-CG1 3.85Å; L107-W187 HydrophobicContact CD1-CE3 4.2Å; L107-W187 HydrophobicContact CD1-CZ3 3.71Å; L107-Q188 HydrophobicContact CD1-CG 3.83Å; L107-L237 HydrophobicContact CD2-CD1 4.14Å; L107-L237 HydrophobicContact CG-CD1 4.21Å; L107-T239 HydrophobicContact CD2-CG2 3.9Å |
| 108 | P | 69.4 | Low | 77.4 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 23% | 0.234 | 24% | 0.241 | C | C | . | . | trans | -57.7 | 144.4 | 177 | -21.4 | 27.9 | 0 | 0 | 0 | 111.9 | N110 S111 | P108-N110 PolarHBondContact O-N 3.43Å; P108-S111 WeakPolarHBondContact CB-OG 3.3Å; P108-S111 WeakPolarHBondContact CD-OG 3.4Å; P108-S111 WeakPolarHBondContact CG-OG 3.4Å; P108-S111 PolarHBondContact O-N 2.9Å; P108-S111 PolarHBondContact O-OG 3.12Å | ||
| 109 | P | 66 | Low | 77.5 | Confident | 105 Ų | 105 | 45.8 Ų | 45.8 | 68% | 0.682 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.1 | -179 | 26.8 | -34.5 | 0 | 0 | 0 | 113.9 | ||
| 110 | N | 68.3 | Low | 77.6 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 30.4 | 178.4 | -58.6 | -47.2 | 0 | 0 | 0 | 111.7 | P108 L242 | P108-N110 PolarHBondContact O-N 3.43Å; N110-L242 VanDerWaalsContact O-CB 3.31Å; N110-L242 WeakPolarHBondContact O-CB 3.24Å; N110-L242 WeakPolarHBondContact O-CG 3.38Å; N110-L242 PolarHBondContact O-N 3.01Å |
| 111 | S | 74.7 | Confident | 77.7 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.3 | 177 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | P108 L240 | P108-S111 WeakPolarHBondContact CB-OG 3.3Å; P108-S111 WeakPolarHBondContact CD-OG 3.4Å; P108-S111 WeakPolarHBondContact CG-OG 3.4Å; P108-S111 PolarHBondContact O-N 2.9Å; P108-S111 PolarHBondContact O-OG 3.12Å; S111-L240 CarbonylContact C-O 3.57Å; S111-L240 WeakPolarHBondContact CA-O 3.33Å; S111-L240 WeakPolarHBondContact CB-O 3.29Å |
| 112 | E | 76 | Confident | 78 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.3 | 171.4 | -176 | -179.4 | 152.6 | 0 | 0 | 108.9 | V114 T239 L240 L242 R314 | E112-V114 PolarHBondContact O-N 2.81Å; E112-T239 CarbonylContact O-C 3.59Å; E112-T239 WeakPolarHBondContact O-CA 3.39Å; E112-T239 WeakPolarHBondContact O-CB 3.49Å; E112-L240 PolarHBondContact N-O 3.26Å; E112-L240 PolarHBondContact O-N 3.16Å; E112-L242 HydrophobicContact CB-CD2 3.96Å; E112-L242 HydrophobicContact CB-CG 4.46Å; E112-R314 IonicContact OE1-CZ 2.68Å; E112-R314 IonicContact OE1-NH1 3.93Å; E112-R314 PolarHBondContact OE1-NH1 3.28Å; E112-R314 IonicContact OE1-NH2 3.14Å; E112-R314 IonicContact OE2-CZ 3.31Å; E112-R314 IonicContact OE2-NH1 3.69Å; E112-R314 PolarHBondContact OE2-NH1 3.25Å; E112-R314 IonicContact OE2-NH2 2.78Å; E112-R314 PolarHBondContact OE2-NH2 3.47Å |
| 113 | L | 77.6 | Confident | 78.4 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 116.7 | 169.6 | -179.7 | 73 | 0 | 0 | 0 | 108.5 | L107 Q115 A116 T181 V184 L237 T239 | L107-L113 HydrophobicContact CD2-CB 4.47Å; L107-L113 HydrophobicContact CD2-CD1 4.11Å; L113-Q115 WeakPolarHBondContact CD1-O 3.33Å; L113-A116 HydrophobicContact CD1-CB 4.4Å; L113-A116 HydrophobicContact CD2-CB 4.46Å; L113-T181 HydrophobicContact CD2-CG2 4.3Å; L113-V184 HydrophobicContact CD2-CB 3.62Å; L113-V184 HydrophobicContact CD2-CG1 3.47Å; L113-V184 VanDerWaalsContact CD2-CG1 3.47Å; L113-L237 HydrophobicContact CD1-CB 4.41Å; L113-L237 HydrophobicContact CD1-CD2 4.29Å; L113-T239 HydrophobicContact CD1-CG2 4.14Å |
| 114 | V | 75.1 | Confident | 78.9 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -43.4 | 173.3 | 176 | 0 | 0 | 0 | 0 | 110.3 | E112 H238 L240 | E112-V114 PolarHBondContact O-N 2.81Å; V114-H238 PolarHBondContact N-O 3.49Å; V114-L240 HydrophobicContact CG2-CB 4.26Å; V114-L240 HydrophobicContact CG2-CD1 3.4Å; V114-L240 VanDerWaalsContact CG2-CD1 3.4Å; V114-L240 HydrophobicContact CG2-CG 3.45Å; V114-L240 VanDerWaalsContact CG2-CG 3.45Å |
| 115 | Q | 77.4 | Confident | 79.9 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 142.7 | -176.3 | -160.9 | -178.2 | 18 | 0 | 0 | 111.4 | L113 V117 T181 H238 | L113-Q115 WeakPolarHBondContact CD1-O 3.33Å; Q115-V117 HydrophobicContact CG-CG2 3.77Å; Q115-T181 WeakPolarHBondContact CA-OG1 3.39Å; Q115-H238 HydrophobicContact CB-CB 4.11Å; Q115-H238 PolarHBondContact N-O 3.05Å; Q115-H238 VanDerWaalsContact N-O 3.15Å; Q115-H238 PolarHBondContact O-N 2.7Å |
| 116 | A | 83.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | L113 V180 T181 V184 L235 E236 L237 | L113-A116 HydrophobicContact CD1-CB 4.4Å; L113-A116 HydrophobicContact CD2-CB 4.46Å; A116-V180 HydrophobicContact CB-CG2 3.97Å; A116-V180 WeakPolarHBondContact O-CG2 3.45Å; A116-V180 PolarHBondContact O-N 2.96Å; A116-T181 PolarHBondContact N-OG1 3.37Å; A116-T181 PolarHBondContact O-N 2.87Å; A116-T181 PolarHBondContact O-OG1 3.14Å; A116-V184 HydrophobicContact CB-CB 4.15Å; A116-V184 HydrophobicContact CB-CG2 3.51Å; A116-L235 HydrophobicContact CB-CD1 4.49Å; A116-E236 CarbonylContact C-O 3.52Å; A116-E236 WeakPolarHBondContact CA-O 3.43Å; A116-L237 HydrophobicContact CB-CD2 3.6Å |
| 117 | V | 87.7 | Confident | 81.9 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.9 | -171.4 | 178.1 | 0 | 0 | 0 | 0 | 110 | Q115 R119 V177 E236 | Q115-V117 HydrophobicContact CG-CG2 3.77Å; V117-R119 HydrophobicContact CG1-CG 4.15Å; V117-V177 HydrophobicContact CG1-CB 4.5Å; V117-V177 HydrophobicContact CG1-CG1 3.14Å; V117-E236 HydrophobicContact CB-CB 4.43Å; V117-E236 PolarHBondContact N-O 3.05Å; V117-E236 PolarHBondContact O-N 3.05Å |
| 118 | L | 89.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.2 | 171.9 | 178.2 | 67.7 | 0 | 0 | 0 | 109.7 | L99 F101 L120 V147 V177 F178 V180 L199 V201 | L99-L118 HydrophobicContact CD1-CD1 3.91Å; L99-L118 HydrophobicContact CD1-CD2 4.07Å; F101-L118 HydrophobicContact CE2-CD1 4.27Å; F101-L118 HydrophobicContact CZ-CD1 3.79Å; L118-L120 HydrophobicContact CD1-CD2 4.08Å; L118-L120 HydrophobicContact CD2-CD1 4.31Å; L118-L120 HydrophobicContact CD2-CD2 4.24Å; L118-L120 HydrophobicContact CD2-CG 4.31Å; L118-L120 HydrophobicContact CG-CD2 4.05Å; L118-L120 HydrophobicContact CG-CG 4.16Å; L118-V147 HydrophobicContact CD2-CG1 4.11Å; L118-V147 HydrophobicContact CD2-CG2 4.33Å; L118-V177 CarbonylContact O-C 3.57Å; L118-V177 WeakPolarHBondContact O-CA 3.49Å; L118-F178 HydrophobicContact CB-CB 4.31Å; L118-F178 PolarHBondContact N-O 3.01Å; L118-F178 PolarHBondContact O-N 3.16Å; L118-V180 HydrophobicContact CB-CG1 3.86Å; L118-V180 HydrophobicContact CB-CG2 4.08Å; L118-V180 HydrophobicContact CD2-CG1 4.5Å; L118-L199 HydrophobicContact CD2-CD1 4.19Å; L118-V201 HydrophobicContact CD2-CG2 4.12Å |
| 119 | R | 89.3 | Confident | 83.6 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 25% | 0.249 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.1 | 176.4 | -61.3 | 178.4 | 64.2 | -178.4 | -2.3 | 110.1 | V117 W175 K176 V177 Q234 E236 | V117-R119 HydrophobicContact CG1-CG 4.15Å; R119-W175 HydrophobicContact CB-CE3 3.86Å; R119-W175 HydrophobicContact CB-CZ3 4.07Å; R119-K176 WeakPolarHBondContact CA-O 3.46Å; R119-V177 HydrophobicContact CG-CG2 4.47Å; R119-Q234 HydrophobicContact CB-CB 4.26Å; R119-Q234 PolarHBondContact N-O 3.37Å; R119-Q234 PolarHBondContact O-N 3.02Å; R119-E236 WeakPolarHBondContact CD-OE1 3.39Å; R119-E236 WeakPolarHBondContact CD-OE2 3.28Å; R119-E236 IonicContact CZ-OE1 2.7Å; R119-E236 IonicContact NE-OE1 3.07Å; R119-E236 IonicContact NH1-OE1 3.9Å; R119-E236 PolarHBondContact NH1-OE1 2.77Å; R119-E236 IonicContact NH1-OE2 2.86Å |
| 120 | L | 89 | Confident | 84.5 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.1 | 177.5 | -55.8 | 179.1 | 0 | 0 | 0 | 109.3 | L99 L118 K176 F178 V201 F221 P233 | L99-L120 HydrophobicContact CD1-CD2 3.97Å; L118-L120 HydrophobicContact CD1-CD2 4.08Å; L118-L120 HydrophobicContact CD2-CD1 4.31Å; L118-L120 HydrophobicContact CD2-CD2 4.24Å; L118-L120 HydrophobicContact CD2-CG 4.31Å; L118-L120 HydrophobicContact CG-CD2 4.05Å; L118-L120 HydrophobicContact CG-CG 4.16Å; L120-K176 PolarHBondContact N-O 2.99Å; L120-K176 PolarHBondContact O-N 2.98Å; L120-F178 HydrophobicContact CB-CE2 4.47Å; L120-F178 HydrophobicContact CD1-CD2 4.1Å; L120-F178 HydrophobicContact CD1-CE2 3.81Å; L120-F178 HydrophobicContact CG-CD2 4.34Å; L120-F178 HydrophobicContact CG-CE2 4.27Å; L120-V201 HydrophobicContact CD1-CG1 3.79Å; L120-V201 HydrophobicContact CD1-CG2 4.07Å; L120-F221 HydrophobicContact CB-CD1 3.53Å; L120-F221 HydrophobicContact CB-CE1 3.8Å; L120-F221 HydrophobicContact CB-CG 4.15Å; L120-F221 HydrophobicContact CD1-CD1 4.45Å; L120-F221 HydrophobicContact CD1-CE1 4.46Å; L120-F221 HydrophobicContact CD1-CG 4.48Å; L120-P233 HydrophobicContact CD2-CB 3.78Å; L120-P233 HydrophobicContact CD2-CG 4.19Å |
| 121 | F | 89 | Confident | 85.3 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 25% | 0.254 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.1 | 177.7 | -174.1 | -95.1 | 0 | 0 | 0 | 110.9 | W175 F221 A222 G231 | F121-W175 HydrophobicContact CB-CD2 4.19Å; F121-W175 HydrophobicContact CB-CE3 3.88Å; F121-W175 HydrophobicContact CB-CH2 4.1Å; F121-W175 HydrophobicContact CB-CZ2 4.36Å; F121-W175 HydrophobicContact CB-CZ3 3.85Å; F121-W175 AromaticContact CD2-CD2 3.92Å; F121-W175 HydrophobicContact CD2-CD2 3.92Å; F121-W175 AromaticContact CD2-CE2 3.8Å; F121-W175 HydrophobicContact CD2-CE3 4.47Å; F121-W175 HydrophobicContact CD2-CG 4.15Å; F121-W175 HydrophobicContact CD2-CZ2 4.28Å; F121-W175 AromaticContact CD2-NE1 3.9Å; F121-F221 VanDerWaalsContact O-CA 3.29Å; F121-F221 WeakPolarHBondContact O-CA 3.31Å; F121-A222 HydrophobicContact CB-CB 4.37Å; F121-A222 HydrophobicContact CD1-CB 4.2Å; F121-A222 PolarHBondContact O-N 2.85Å; F121-G231 VanDerWaalsContact CB-CA 3.4Å |
| 122 | Q | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 120.2 | 174.6 | 180 | 176.6 | -18.2 | 0 | 0 | 109.9 | S169 E172 S173 G174 K176 V219 R220 F221 | Q122-S169 PolarHBondContact NE2-O 2.03Å; Q122-E172 PolarHBondContact NE2-O 3.24Å; Q122-S173 WeakPolarHBondContact O-CB 3.08Å; Q122-G174 PolarHBondContact N-O 2.76Å; Q122-G174 PolarHBondContact O-N 3.31Å; Q122-K176 HydrophobicContact CB-CG 4.15Å; Q122-V219 HydrophobicContact CG-CG1 4.49Å; Q122-R220 WeakPolarHBondContact CA-O 3.47Å; Q122-F221 HydrophobicContact CB-CD1 4.25Å; Q122-F221 HydrophobicContact CB-CE1 3.97Å |
| 123 | E | 88.9 | Confident | 86.2 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 146.3 | 178.3 | -63.4 | -177.1 | 148.3 | 0 | 0 | 111.4 | V125 R220 A222 | E123-V125 PolarHBondContact O-N 2.93Å; E123-R220 HydrophobicContact CB-CB 4.43Å; E123-R220 PolarHBondContact N-O 3.34Å; E123-R220 WeakPolarHBondContact OE2-CB 3.44Å; E123-A222 HydrophobicContact CG-CB 4.23Å |
| 124 | P | 89.4 | Confident | 86.4 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -66 | 129.9 | 176.2 | 27.5 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 125 | V | 89.1 | Confident | 86.7 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 129.3 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | E123 K127 A129 L130 V170 L218 | E123-V125 PolarHBondContact O-N 2.93Å; V125-K127 PolarHBondContact O-N 2.87Å; V125-A129 HydrophobicContact CG1-CB 4.17Å; V125-L130 HydrophobicContact CB-CD1 4.31Å; V125-L130 HydrophobicContact CB-CD2 3.99Å; V125-L130 HydrophobicContact CB-CG 4.03Å; V125-L130 HydrophobicContact CG1-CD2 3.81Å; V125-L130 HydrophobicContact CG1-CG 3.79Å; V125-V170 HydrophobicContact CG2-CB 4.41Å; V125-V170 VanDerWaalsContact CG2-O 3.32Å; V125-V170 WeakPolarHBondContact CG2-O 3.24Å; V125-L218 HydrophobicContact CG1-CB 4.03Å; V125-L218 HydrophobicContact CG1-CD1 4.31Å; V125-L218 HydrophobicContact CG1-CD2 4.31Å; V125-L218 HydrophobicContact CG1-CG 4.46Å; V125-L218 HydrophobicContact CG2-CB 4.27Å; V125-L218 WeakPolarHBondContact CG2-O 3.3Å |
| 126 | P | 91.2 | Very high | 86.7 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 133.3 | 177.2 | -26.3 | 34.4 | 0 | 0 | 0 | 112.2 | A128 A129 L130 | P126-A128 PolarHBondContact O-N 3.29Å; P126-A128 VanDerWaalsContact O-N 3.1Å; P126-A129 WeakPolarHBondContact O-CA 3.09Å; P126-A129 WeakPolarHBondContact O-CB 3.06Å; P126-A129 PolarHBondContact O-N 3.27Å; P126-L130 PolarHBondContact O-N 2.98Å; P126-L130 VanDerWaalsContact O-N 3.16Å |
| 127 | K | 87.8 | Confident | 86.2 | Confident | 168 Ų | 168 | 66.9 Ų | 66.9 | 73% | 0.73 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -51.7 | -39.5 | -178.5 | -66.8 | -175.4 | 178.8 | 179.6 | 0 | 112.8 | V125 A129 L130 H131 | V125-K127 PolarHBondContact O-N 2.87Å; K127-A129 VanDerWaalsContact C-N 3.28Å; K127-A129 PolarHBondContact O-N 3.23Å; K127-L130 PolarHBondContact O-N 3.13Å; K127-H131 PolarHBondContact O-CD2 3.16Å; K127-H131 PolarHBondContact O-N 2.8Å |
| 128 | A | 89.1 | Confident | 85.2 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -31.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P126 R132 | P126-A128 PolarHBondContact O-N 3.29Å; P126-A128 VanDerWaalsContact O-N 3.1Å; A128-R132 WeakPolarHBondContact O-CG 3.17Å; A128-R132 PolarHBondContact O-N 3.29Å; A128-R132 PolarHBondContact O-NE 3.08Å |
| 129 | A | 85.9 | Confident | 84.3 | Confident | 26 Ų | 26 | 81.3 Ų | 81.3 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -76.8 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | V125 P126 K127 R132 H133 L218 | V125-A129 HydrophobicContact CG1-CB 4.17Å; P126-A129 WeakPolarHBondContact O-CA 3.09Å; P126-A129 WeakPolarHBondContact O-CB 3.06Å; P126-A129 PolarHBondContact O-N 3.27Å; K127-A129 VanDerWaalsContact C-N 3.28Å; K127-A129 PolarHBondContact O-N 3.23Å; A129-R132 PolarHBondContact O-N 2.79Å; A129-H133 WeakPolarHBondContact O-CB 2.95Å; A129-H133 PolarHBondContact O-N 3.17Å; A129-L218 HydrophobicContact CB-CD2 4.02Å |
| 130 | L | 85.7 | Confident | 83.6 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 173.1 | -68.1 | 172.6 | 0 | 0 | 0 | 111.7 | V125 P126 K127 R132 H133 G134 V170 | V125-L130 HydrophobicContact CB-CD1 4.31Å; V125-L130 HydrophobicContact CB-CD2 3.99Å; V125-L130 HydrophobicContact CB-CG 4.03Å; V125-L130 HydrophobicContact CG1-CD2 3.81Å; V125-L130 HydrophobicContact CG1-CG 3.79Å; P126-L130 PolarHBondContact O-N 2.98Å; P126-L130 VanDerWaalsContact O-N 3.16Å; K127-L130 PolarHBondContact O-N 3.13Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.86Å; L130-H133 PolarHBondContact O-N 3.08Å; L130-G134 PolarHBondContact O-N 3.09Å; L130-V170 HydrophobicContact CD2-CB 4.13Å; L130-V170 HydrophobicContact CD2-CG2 3.66Å |
| 131 | H | 86 | Confident | 83.4 | Confident | 120 Ų | 120 | 80.2 Ų | 80.2 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.8 | -31.4 | 176.9 | -69.8 | -59.3 | 0 | 0 | 0 | 113.6 | K127 R135 | K127-H131 PolarHBondContact O-CD2 3.16Å; K127-H131 PolarHBondContact O-N 2.8Å; H131-R135 WeakPolarHBondContact O-CG 3.02Å; H131-R135 PolarHBondContact O-N 3.39Å; H131-R135 PolarHBondContact O-NE 2.84Å |
| 132 | R | 84.9 | Confident | 83.4 | Confident | 162 Ų | 162 | 83.4 Ų | 83.4 | 61% | 0.611 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.8 | -44.7 | 173.7 | -82.9 | -174.1 | -103.1 | -168.7 | -7.4 | 111.1 | A128 A129 L130 R135 L136 | A128-R132 WeakPolarHBondContact O-CG 3.17Å; A128-R132 PolarHBondContact O-N 3.29Å; A128-R132 PolarHBondContact O-NE 3.08Å; A129-R132 PolarHBondContact O-N 2.79Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.86Å; R132-R135 PolarHBondContact O-N 2.86Å; R132-L136 WeakPolarHBondContact O-CG 3.03Å; R132-L136 PolarHBondContact O-N 2.86Å |
| 133 | H | 83.3 | Confident | 83.4 | Confident | 19 Ų | 19 | 83.4 Ų | 83.4 | 9% | 0.088 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 177.9 | 173.8 | -81.7 | 0 | 0 | 0 | 112.3 | A129 L130 R135 L136 S137 S140 S213 A215 L218 | A129-H133 WeakPolarHBondContact O-CB 2.95Å; A129-H133 PolarHBondContact O-N 3.17Å; L130-H133 PolarHBondContact O-N 3.08Å; H133-R135 PolarHBondContact O-N 2.86Å; H133-L136 PolarHBondContact O-N 2.96Å; H133-S137 PolarHBondContact CE1-O 2.8Å; H133-S137 PolarHBondContact O-N 3.28Å; H133-S140 PolarHBondContact CE1-O 3.26Å; H133-S140 VanDerWaalsContact CE1-O 3.28Å; H133-S213 PolarHBondContact CE1-OG 2.86Å; H133-S213 PolarHBondContact NE2-OG 3.46Å; H133-A215 PolarHBondContact NE2-N 3.3Å; H133-L218 HydrophobicContact CB-CD1 3.71Å |
| 134 | G | 81.9 | Confident | 83.5 | Confident | 39 Ų | 39 | 84.5 Ų | 84.5 | 40% | 0.402 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.6 | -31.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L130 | L130-G134 PolarHBondContact O-N 3.09Å |
| 135 | R | 81.8 | Confident | 83.6 | Confident | 197 Ų | 197 | 80.3 Ų | 80.3 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -73.5 | -37.7 | 173.1 | -76.6 | -173.8 | -87.4 | -153.8 | -0.1 | 113.3 | H131 R132 H133 | H131-R135 WeakPolarHBondContact O-CG 3.02Å; H131-R135 PolarHBondContact O-N 3.39Å; H131-R135 PolarHBondContact O-NE 2.84Å; R132-R135 PolarHBondContact O-N 2.86Å; H133-R135 PolarHBondContact O-N 2.86Å |
| 136 | L | 78.4 | Confident | 83.8 | Confident | 143 Ų | 143 | 79.8 Ų | 79.8 | 75% | 0.749 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -86.6 | -26.1 | -175.9 | -67.7 | 170 | 0 | 0 | 0 | 113.5 | R132 H133 | R132-L136 WeakPolarHBondContact O-CG 3.03Å; R132-L136 PolarHBondContact O-N 2.86Å; H133-L136 PolarHBondContact O-N 2.96Å |
| 137 | S | 72 | Confident | 83.8 | Confident | 36 Ų | 36 | 75.8 Ų | 75.8 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | trans | -153 | 70 | -171.5 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | H133 R139 | H133-S137 PolarHBondContact CE1-O 2.8Å; H133-S137 PolarHBondContact O-N 3.28Å; S137-R139 PolarHBondContact O-N 3.22Å | ||
| 138 | P | 68.2 | Low | 83.8 | Confident | 108 Ų | 108 | 69.5 Ų | 69.5 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15 | -175.6 | 27.7 | -35.2 | 0 | 0 | 0 | 113.9 | ||
| 139 | R | 69.5 | Low | 83.8 | Confident | 205 Ų | 205 | 67 Ų | 67 | 77% | 0.774 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -25.9 | -168.4 | -68.7 | -176 | 175.8 | 166.7 | -1.1 | 114.6 | S137 | S137-R139 PolarHBondContact O-N 3.22Š|
| 140 | S | 75.2 | Confident | 83.8 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | trans | -154 | 135.8 | 173.7 | 101.9 | 0 | 0 | 0 | 0 | 112.6 | H133 E206 S213 | H133-S140 PolarHBondContact CE1-O 3.26Å; H133-S140 VanDerWaalsContact CE1-O 3.28Å; S140-E206 WeakPolarHBondContact CB-OE2 3.36Å; S140-E206 PolarHBondContact OG-OE2 3.38Å; S140-S213 WeakPolarHBondContact O-CB 3.37Å; S140-S213 PolarHBondContact O-OG 3.38Å; S140-S213 WeakPolarHBondContact OG-CB 3.36Å | ||
| 141 | A | 84.4 | Confident | 83.6 | Confident | 23 Ų | 23 | 68 Ų | 68 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | trans | -117.7 | 25.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V170 H171 | A141-V170 HydrophobicContact CB-CG2 3.91Å; A141-V170 WeakPolarHBondContact O-CG2 3.5Å; A141-V170 PolarHBondContact O-N 3.03Å; A141-H171 WeakPolarHBondContact CB-CE1 3.3Å | ||
| 142 | R | 88.6 | Confident | 83.2 | Confident | 125 Ų | 125 | 66 Ų | 66 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 148 | -177.2 | -61.2 | -173.2 | -67 | -161 | -0.5 | 110.4 | V168 E206 | R142-V168 CarbonylContact C-O 3.53Å; R142-V168 VanDerWaalsContact CA-O 3.23Å; R142-V168 WeakPolarHBondContact CA-O 3.1Å; R142-E206 IonicContact CZ-OE1 2.84Å; R142-E206 VanDerWaalsContact CZ-OE1 3.25Å; R142-E206 IonicContact NE-OE1 2.7Å; R142-E206 PolarHBondContact NE-OE1 3.11Å; R142-E206 VanDerWaalsContact NE-OE1 3.07Å; R142-E206 IonicContact NE-OE2 3.61Å; R142-E206 IonicContact NH2-OE1 3.26Å; R142-E206 PolarHBondContact NH2-OE1 3.22Å |
| 143 | A | 89.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | L167 V168 V203 H216 V219 | A143-L167 CarbonylContact O-C 3.54Å; A143-L167 WeakPolarHBondContact O-CA 3.25Å; A143-V168 HydrophobicContact CB-CG2 4.32Å; A143-V168 PolarHBondContact N-O 3.02Å; A143-V168 PolarHBondContact O-N 3.32Å; A143-V203 HydrophobicContact CB-CG1 3.96Å; A143-H216 HydrophobicContact CB-CB 4.02Å; A143-V219 HydrophobicContact CB-CB 4.5Å; A143-V219 HydrophobicContact CB-CG2 3.71Å |
| 144 | R | 91.6 | Very high | 81.9 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123 | 173.3 | -177.2 | 179.3 | -69.4 | -98.2 | 3.1 | 108.4 | T146 S165 R166 L167 V203 Q204 | R144-T146 HydrophobicContact CG-CG2 4.08Å; R144-S165 WeakPolarHBondContact CD-OG 3.4Å; R144-S165 WeakPolarHBondContact CG-OG 3.02Å; R144-S165 PolarHBondContact NH1-OG 3.22Å; R144-R166 WeakPolarHBondContact CA-O 3.34Å; R144-L167 HydrophobicContact CB-CD2 3.86Å; R144-L167 HydrophobicContact CG-CD2 4.37Å; R144-V203 CarbonylContact O-C 3.55Å; R144-Q204 HydrophobicContact CB-CB 4.49Å; R144-Q204 PolarHBondContact N-O 2.03Å; R144-Q204 PolarHBondContact O-N 3.45Å |
| 145 | V | 92.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124 | 171.7 | -176.3 | 0 | 0 | 0 | 0 | 107.2 | S165 R166 V168 F178 V201 S202 V203 F221 | V145-S165 CarbonylContact O-C 3.51Å; V145-S165 WeakPolarHBondContact O-CA 3.49Å; V145-R166 PolarHBondContact N-O 3.02Å; V145-R166 PolarHBondContact O-N 3.01Å; V145-V168 HydrophobicContact CG2-CB 4.47Å; V145-V168 HydrophobicContact CG2-CG1 4.01Å; V145-V168 HydrophobicContact CG2-CG2 3.6Å; V145-F178 HydrophobicContact CB-CE1 4Å; V145-F178 HydrophobicContact CB-CZ 3.84Å; V145-F178 HydrophobicContact CG1-CE1 3.84Å; V145-F178 HydrophobicContact CG1-CE2 4.36Å; V145-F178 HydrophobicContact CG1-CZ 3.51Å; V145-V201 HydrophobicContact CG1-CG1 3.76Å; V145-S202 WeakPolarHBondContact CA-O 3.36Å; V145-V203 HydrophobicContact CG2-CG2 4.46Å; V145-F221 HydrophobicContact CG1-CE2 4.11Å; V145-F221 HydrophobicContact CG1-CZ 4.27Å; V145-F221 HydrophobicContact CG2-CE2 4.02Å; V145-F221 HydrophobicContact CG2-CZ 3.95Å |
| 146 | T | 91.8 | Very high | 80.6 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.7 | 176 | 62 | 0 | 0 | 0 | 0 | 109.4 | R144 L162 D164 V201 S202 | R144-T146 HydrophobicContact CG-CG2 4.08Å; T146-L162 HydrophobicContact CG2-CD1 4.42Å; T146-D164 WeakPolarHBondContact CA-O 3.46Å; T146-V201 CarbonylContact O-C 3.59Å; T146-V201 WeakPolarHBondContact O-CA 3.34Å; T146-S202 PolarHBondContact N-O 3.39Å; T146-S202 PolarHBondContact O-N 3.38Å; T146-S202 PolarHBondContact OG1-O 3.31Å; T146-S202 PolarHBondContact OG1-OG 2.88Å |
| 147 | V | 91.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.8 | 172.1 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | L118 I163 D164 F178 V180 L199 Q200 V201 | L118-V147 HydrophobicContact CD2-CG1 4.11Å; L118-V147 HydrophobicContact CD2-CG2 4.33Å; V147-I163 WeakPolarHBondContact O-CB 3.31Å; V147-I163 PolarHBondContact O-N 3.36Å; V147-D164 PolarHBondContact N-O 2.93Å; V147-D164 PolarHBondContact O-N 3.32Å; V147-F178 HydrophobicContact CG2-CB 3.99Å; V147-F178 HydrophobicContact CG2-CD1 3.72Å; V147-F178 HydrophobicContact CG2-CD2 4.39Å; V147-F178 HydrophobicContact CG2-CE1 4.29Å; V147-F178 HydrophobicContact CG2-CG 3.77Å; V147-V180 HydrophobicContact CG1-CG1 3.92Å; V147-L199 HydrophobicContact CG1-CB 4.5Å; V147-Q200 WeakPolarHBondContact CA-O 3.5Å; V147-V201 HydrophobicContact CG2-CG2 4.38Å |
| 148 | E | 88.4 | Confident | 80.8 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.7 | -179.3 | -58.2 | 177.2 | 109.2 | 0 | 0 | 109.7 | S161 L162 L199 Q200 | E148-S161 CarbonylContact C-O 3.59Å; E148-S161 VanDerWaalsContact CA-O 3.23Å; E148-S161 WeakPolarHBondContact CA-O 3.37Å; E148-L162 HydrophobicContact CG-CD1 4.19Å; E148-L199 CarbonylContact O-C 3.57Å; E148-L199 WeakPolarHBondContact O-CA 3.14Å; E148-Q200 HydrophobicContact CB-CB 4.41Å; E148-Q200 PolarHBondContact N-O 3.49Å; E148-Q200 PolarHBondContact O-N 2.93Å; E148-Q200 PolarHBondContact OE2-NE2 2.93Å |
| 149 | W | 88.3 | Confident | 81.5 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.8 | 169.2 | 176.5 | 42.3 | 0 | 0 | 0 | 109.7 | R151 T160 S161 I163 A183 F186 W187 L190 L198 L199 | W149-R151 VanDerWaalsContact CH2-NH2 3.25Å; W149-T160 CarbonylContact O-C 3.55Å; W149-T160 VanDerWaalsContact O-CA 3.31Å; W149-T160 WeakPolarHBondContact O-CA 3.49Å; W149-S161 PolarHBondContact N-O 2.03Å; W149-S161 PolarHBondContact O-N 3.19Å; W149-I163 HydrophobicContact CB-CD1 3.85Å; W149-I163 HydrophobicContact CB-CG1 3.81Å; W149-A183 HydrophobicContact CB-CB 4.04Å; W149-A183 HydrophobicContact CG-CB 4.24Å; W149-F186 HydrophobicContact CE3-CB 4.04Å; W149-F186 HydrophobicContact CH2-CB 3.59Å; W149-F186 HydrophobicContact CZ3-CB 3.28Å; W149-F186 HydrophobicContact CZ3-CD2 4.31Å; W149-F186 HydrophobicContact CZ3-CG 4Å; W149-W187 HydrophobicContact CZ2-CB 4.37Å; W149-L190 HydrophobicContact CZ2-CD1 4.12Å; W149-L198 VanDerWaalsContact CD1-O 3.31Å; W149-L199 HydrophobicContact CB-CD2 4.38Å |
| 150 | L | 85.6 | Confident | 82.1 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.1 | 179.3 | -178.7 | 69.4 | 0 | 0 | 0 | 110.1 | L98 N158 T160 L198 | L98-L150 HydrophobicContact CD1-CD2 3.74Å; L150-N158 HydrophobicContact CD1-CB 3.94Å; L150-T160 HydrophobicContact CD1-CG2 3.61Å; L150-L198 HydrophobicContact CB-CB 3.96Å; L150-L198 HydrophobicContact CD2-CB 4.5Å; L150-L198 HydrophobicContact CD2-CD1 4.33Å; L150-L198 PolarHBondContact N-O 3.34Å |
| 151 | R | 81.7 | Confident | 82.6 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.7 | 173.1 | -167.3 | -174 | -49.3 | 154 | 12 | 109.7 | W149 R159 | W149-R151 VanDerWaalsContact CH2-NH2 3.25Å; R151-R159 PolarHBondContact N-O 3.09Å; R151-R159 PolarHBondContact O-N 3.05Å |
| 152 | V | 77.9 | Confident | 82.7 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 49% | 0.485 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.3 | 168.8 | -170.8 | 0 | 0 | 0 | 0 | 107.1 | L198 | V152-L198 HydrophobicContact CG2-CD1 3.89Å |
| 153 | R | 71.9 | Confident | 82.7 | Confident | 114 Ų | 114 | 60.8 Ų | 60.8 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | trans | -85.6 | 163.6 | 174.9 | -75.5 | -179.3 | 169.8 | 179.1 | -3.7 | 110.6 | D155 G156 S157 | R153-D155 WeakPolarHBondContact CB-OD1 3.2Å; R153-D155 PolarHBondContact O-N 2.9Å; R153-G156 PolarHBondContact O-N 2.89Å; R153-S157 WeakPolarHBondContact CD-OG 3.32Å; R153-S157 PolarHBondContact N-O 3.38Å | ||
| 154 | D | 68.6 | Low | 82.6 | Confident | 182 Ų | 182 | 62.1 Ų | 62.1 | 97% | 0.973 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.9 | 179.7 | -57 | -44.9 | 0 | 0 | 0 | 113 | G156 | D154-G156 PolarHBondContact O-N 3.2Š|
| 155 | D | 68.6 | Low | 82.4 | Confident | 114 Ų | 114 | 59.5 Ų | 59.5 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.3 | 173.4 | 63.8 | 1.5 | 0 | 0 | 0 | 113.5 | R153 S157 | R153-D155 WeakPolarHBondContact CB-OD1 3.2Å; R153-D155 PolarHBondContact O-N 2.9Å; D155-S157 PolarHBondContact O-N 3.45Å; D155-S157 VanDerWaalsContact OD1-CB 3.25Å; D155-S157 WeakPolarHBondContact OD1-CB 3.13Å; D155-S157 PolarHBondContact OD1-N 2.7Å; D155-S157 PolarHBondContact OD1-OG 2.98Å; D155-S157 PolarHBondContact OD2-OG 3.36Å; D155-S157 VanDerWaalsContact OD2-OG 3.1Å |
| 156 | G | 67.7 | Low | 82.2 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 58% | 0.577 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 76.8 | 2.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | R153 D154 | R153-G156 PolarHBondContact O-N 2.89Å; D154-G156 PolarHBondContact O-N 3.2Å |
| 157 | S | 74.6 | Confident | 82.1 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | trans | -79.2 | 139.1 | 175.9 | 72.6 | 0 | 0 | 0 | 0 | 111.4 | R153 D155 | R153-S157 WeakPolarHBondContact CD-OG 3.32Å; R153-S157 PolarHBondContact N-O 3.38Å; D155-S157 PolarHBondContact O-N 3.45Å; D155-S157 VanDerWaalsContact OD1-CB 3.25Å; D155-S157 WeakPolarHBondContact OD1-CB 3.13Å; D155-S157 PolarHBondContact OD1-N 2.7Å; D155-S157 PolarHBondContact OD1-OG 2.98Å; D155-S157 PolarHBondContact OD2-OG 3.36Å; D155-S157 VanDerWaalsContact OD2-OG 3.1Å | ||
| 158 | N | 80.8 | Confident | 82.1 | Confident | 108 Ų | 108 | 68 Ų | 68 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125 | 178.3 | -73.1 | -16.3 | 0 | 0 | 0 | 109.7 | L150 | L150-N158 HydrophobicContact CD1-CB 3.94Å |
| 159 | R | 82.3 | Confident | 82.1 | Confident | 124 Ų | 124 | 67.5 Ų | 67.5 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.1 | 170.6 | -173.8 | 176.3 | 177.9 | -177.2 | -0.9 | 109.4 | R151 | R151-R159 PolarHBondContact N-O 3.09Å; R151-R159 PolarHBondContact O-N 3.05Å |
| 160 | T | 82.4 | Confident | 82.2 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 151.7 | 171.5 | 53 | 0 | 0 | 0 | 0 | 110.8 | W149 L150 | W149-T160 CarbonylContact O-C 3.55Å; W149-T160 VanDerWaalsContact O-CA 3.31Å; W149-T160 WeakPolarHBondContact O-CA 3.49Å; L150-T160 HydrophobicContact CD1-CG2 3.61Å |
| 161 | S | 84.8 | Confident | 82.3 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 25% | 0.245 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 122.7 | 173.5 | -61.8 | 0 | 0 | 0 | 0 | 108.3 | E148 W149 I163 | E148-S161 CarbonylContact C-O 3.59Å; E148-S161 VanDerWaalsContact CA-O 3.23Å; E148-S161 WeakPolarHBondContact CA-O 3.37Å; W149-S161 PolarHBondContact N-O 2.03Å; W149-S161 PolarHBondContact O-N 3.19Å; S161-I163 WeakPolarHBondContact O-CG1 3.35Å; S161-I163 PolarHBondContact O-N 3.14Å |
| 162 | L | 86.7 | Confident | 82.6 | Confident | 106 Ų | 106 | 74.1 Ų | 74.1 | 56% | 0.555 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 129.9 | 179 | -178.7 | 67.5 | 0 | 0 | 0 | 110 | T146 E148 | T146-L162 HydrophobicContact CG2-CD1 4.42Å; E148-L162 HydrophobicContact CG-CD1 4.19Å |
| 163 | I | 88.8 | Confident | 83.1 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 14% | 0.144 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -51.8 | -177.5 | -56.4 | -61.8 | 0 | 0 | 0 | 110.7 | V147 W149 S161 D179 V180 A183 | V147-I163 WeakPolarHBondContact O-CB 3.31Å; V147-I163 PolarHBondContact O-N 3.36Å; W149-I163 HydrophobicContact CB-CD1 3.85Å; W149-I163 HydrophobicContact CB-CG1 3.81Å; S161-I163 WeakPolarHBondContact O-CG1 3.35Å; S161-I163 PolarHBondContact O-N 3.14Å; I163-D179 WeakPolarHBondContact CG2-O 3.5Å; I163-V180 HydrophobicContact CG2-CB 4.35Å; I163-V180 HydrophobicContact CG2-CG1 4.28Å; I163-A183 HydrophobicContact CD1-CB 3.84Å; I163-A183 HydrophobicContact CG1-CB 3.95Å; I163-A183 HydrophobicContact CG2-CB 4.29Å |
| 164 | D | 87.8 | Confident | 83.9 | Confident | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 149.7 | 178.4 | -164.3 | -4.9 | 0 | 0 | 0 | 110.3 | T146 V147 R166 F178 D179 | T146-D164 WeakPolarHBondContact CA-O 3.46Å; V147-D164 PolarHBondContact N-O 2.93Å; V147-D164 PolarHBondContact O-N 3.32Å; D164-R166 IonicContact OD1-NE 3.77Å; D164-R166 PolarHBondContact OD1-NE 3.04Å; D164-R166 IonicContact OD2-CZ 3.78Å; D164-R166 VanDerWaalsContact OD2-CZ 3.26Å; D164-R166 IonicContact OD2-NE 2.7Å; D164-R166 PolarHBondContact OD2-NE 2.96Å; D164-R166 IonicContact OD2-NH2 3.78Å; D164-R166 PolarHBondContact OD2-NH2 2.87Å; D164-F178 HydrophobicContact CB-CD1 4.49Å; D164-F178 WeakPolarHBondContact OD2-CA 3.39Å; D164-D179 PolarHBondContact OD2-N 2.82Å |
| 165 | S | 88.9 | Confident | 84.8 | 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 | -144 | 123 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | R144 V145 | R144-S165 WeakPolarHBondContact CD-OG 3.4Å; R144-S165 WeakPolarHBondContact CG-OG 3.02Å; R144-S165 PolarHBondContact NH1-OG 3.22Å; V145-S165 CarbonylContact O-C 3.51Å; V145-S165 WeakPolarHBondContact O-CA 3.49Å |
| 166 | R | 87.8 | Confident | 85.7 | Confident | 105 Ų | 105 | 61.1 Ų | 61.1 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.5 | -177.5 | -57.6 | -175 | -176.7 | -158.2 | -7 | 112 | R144 V145 D164 V177 F178 | R144-R166 WeakPolarHBondContact CA-O 3.34Å; V145-R166 PolarHBondContact N-O 3.02Å; V145-R166 PolarHBondContact O-N 3.01Å; D164-R166 IonicContact OD1-NE 3.77Å; D164-R166 PolarHBondContact OD1-NE 3.04Å; D164-R166 IonicContact OD2-CZ 3.78Å; D164-R166 VanDerWaalsContact OD2-CZ 3.26Å; D164-R166 IonicContact OD2-NE 2.7Å; D164-R166 PolarHBondContact OD2-NE 2.96Å; D164-R166 IonicContact OD2-NH2 3.78Å; D164-R166 PolarHBondContact OD2-NH2 2.87Å; R166-V177 VanDerWaalsContact CZ-O 3.24Å; R166-V177 PolarHBondContact NH1-O 3.37Å; R166-F178 HydrophobicContact CB-CE1 3.97Å; R166-F178 HydrophobicContact CG-CD1 4.16Å; R166-F178 HydrophobicContact CG-CE1 4.04Å |
| 167 | L | 88.9 | Confident | 86.7 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.4 | 169.7 | -66.4 | 178 | 0 | 0 | 0 | 109.5 | A143 R144 E206 | A143-L167 CarbonylContact O-C 3.54Å; A143-L167 WeakPolarHBondContact O-CA 3.25Å; R144-L167 HydrophobicContact CB-CD2 3.86Å; R144-L167 HydrophobicContact CG-CD2 4.37Å; L167-E206 HydrophobicContact CD1-CG 4.31Å; L167-E206 HydrophobicContact CD2-CB 4.36Å; L167-E206 HydrophobicContact CD2-CG 3.85Å |
| 168 | V | 91.1 | Very high | 87.3 | 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 | -117.3 | 143.8 | 176.3 | -57 | 0 | 0 | 0 | 0 | 110.2 | R142 A143 V145 K176 V219 | R142-V168 CarbonylContact C-O 3.53Å; R142-V168 VanDerWaalsContact CA-O 3.23Å; R142-V168 WeakPolarHBondContact CA-O 3.1Å; A143-V168 HydrophobicContact CB-CG2 4.32Å; A143-V168 PolarHBondContact N-O 3.02Å; A143-V168 PolarHBondContact O-N 3.32Å; V145-V168 HydrophobicContact CG2-CB 4.47Å; V145-V168 HydrophobicContact CG2-CG1 4.01Å; V145-V168 HydrophobicContact CG2-CG2 3.6Å; V168-K176 HydrophobicContact CG1-CD 4.45Å; V168-K176 HydrophobicContact CG1-CG 4.38Å; V168-V219 HydrophobicContact CG2-CG1 4.09Å; V168-V219 HydrophobicContact CG2-CG2 4.16Å |
| 169 | S | 89.6 | Confident | 87.4 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 139.3 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 111 | Q122 H171 E172 | Q122-S169 PolarHBondContact NE2-O 2.03Å; S169-H171 PolarHBondContact O-N 2.92Å; S169-H171 PolarHBondContact OG-N 3.47Å; S169-E172 PolarHBondContact O-N 3.44Å |
| 170 | V | 89.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.8 | 172.4 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | V125 L130 A141 E172 A215 L218 V219 | V125-V170 HydrophobicContact CG2-CB 4.41Å; V125-V170 VanDerWaalsContact CG2-O 3.32Å; V125-V170 WeakPolarHBondContact CG2-O 3.24Å; L130-V170 HydrophobicContact CD2-CB 4.13Å; L130-V170 HydrophobicContact CD2-CG2 3.66Å; A141-V170 HydrophobicContact CB-CG2 3.91Å; A141-V170 WeakPolarHBondContact O-CG2 3.5Å; A141-V170 PolarHBondContact O-N 3.03Å; V170-E172 VanDerWaalsContact C-N 3.34Å; V170-A215 HydrophobicContact CG1-CB 3.8Å; V170-A215 WeakPolarHBondContact CG1-O 3.45Å; V170-L218 HydrophobicContact CG1-CB 4.09Å; V170-V219 HydrophobicContact CG1-CG2 3.74Å |
| 171 | H | 87.6 | Confident | 87.7 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 57% | 0.574 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -15.5 | -179.1 | -62.2 | 93.7 | 0 | 0 | 0 | 112.9 | A141 S169 | A141-H171 WeakPolarHBondContact CB-CE1 3.3Å; S169-H171 PolarHBondContact O-N 2.92Å; S169-H171 PolarHBondContact OG-N 3.47Å |
| 172 | E | 87.4 | Confident | 87.6 | Confident | 101 Ų | 101 | 51 Ų | 51 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | trans | -98 | 153.5 | 179.3 | -66.5 | 172 | -166 | 0 | 0 | 110.1 | Q122 S169 V170 K176 | Q122-E172 PolarHBondContact NE2-O 3.24Å; S169-E172 PolarHBondContact O-N 3.44Å; V170-E172 VanDerWaalsContact C-N 3.34Å; E172-K176 IonicContact OE2-NZ 3.43Å; E172-K176 PolarHBondContact OE2-NZ 3.4Å | ||
| 173 | S | 88.7 | Confident | 87.6 | Confident | 71 Ų | 71 | 46 Ų | 46 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | trans | -134.8 | 165.6 | 169.1 | 59.9 | 0 | 0 | 0 | 0 | 108.8 | Q122 | Q122-S173 WeakPolarHBondContact O-CB 3.08Š| ||
| 174 | G | 88.8 | Confident | 87.4 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.7 | -169.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q122 K176 | Q122-G174 PolarHBondContact N-O 2.76Å; Q122-G174 PolarHBondContact O-N 3.31Å; G174-K176 PolarHBondContact O-N 3.45Å |
| 175 | W | 88.3 | Confident | 87.1 | Confident | 94 Ų | 94 | 46.2 Ų | 46.2 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 122.9 | -175.8 | -67.9 | 105.1 | 0 | 0 | 0 | 112.1 | R119 F121 | R119-W175 HydrophobicContact CB-CE3 3.86Å; R119-W175 HydrophobicContact CB-CZ3 4.07Å; F121-W175 HydrophobicContact CB-CD2 4.19Å; F121-W175 HydrophobicContact CB-CE3 3.88Å; F121-W175 HydrophobicContact CB-CH2 4.1Å; F121-W175 HydrophobicContact CB-CZ2 4.36Å; F121-W175 HydrophobicContact CB-CZ3 3.85Å; F121-W175 AromaticContact CD2-CD2 3.92Å; F121-W175 HydrophobicContact CD2-CD2 3.92Å; F121-W175 AromaticContact CD2-CE2 3.8Å; F121-W175 HydrophobicContact CD2-CE3 4.47Å; F121-W175 HydrophobicContact CD2-CG 4.15Å; F121-W175 HydrophobicContact CD2-CZ2 4.28Å; F121-W175 AromaticContact CD2-NE1 3.9Å |
| 176 | K | 88.2 | Confident | 86.8 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.4 | 168.5 | -56.6 | -52.7 | -172.2 | -172.7 | 0 | 108.2 | R119 L120 Q122 V168 E172 G174 F178 F221 | R119-K176 WeakPolarHBondContact CA-O 3.46Å; L120-K176 PolarHBondContact N-O 2.99Å; L120-K176 PolarHBondContact O-N 2.98Å; Q122-K176 HydrophobicContact CB-CG 4.15Å; V168-K176 HydrophobicContact CG1-CD 4.45Å; V168-K176 HydrophobicContact CG1-CG 4.38Å; E172-K176 IonicContact OE2-NZ 3.43Å; E172-K176 PolarHBondContact OE2-NZ 3.4Å; G174-K176 PolarHBondContact O-N 3.45Å; K176-F178 HydrophobicContact CB-CE2 3.85Å; K176-F178 HydrophobicContact CB-CZ 4.32Å; K176-F221 HydrophobicContact CB-CE1 4.29Å; K176-F221 HydrophobicContact CG-CE1 4.16Å |
| 177 | V | 88.1 | Confident | 86.6 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 39% | 0.394 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.2 | -171.4 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | V117 L118 R119 R166 | V117-V177 HydrophobicContact CG1-CB 4.5Å; V117-V177 HydrophobicContact CG1-CG1 3.14Å; L118-V177 CarbonylContact O-C 3.57Å; L118-V177 WeakPolarHBondContact O-CA 3.49Å; R119-V177 HydrophobicContact CG-CG2 4.47Å; R166-V177 VanDerWaalsContact CZ-O 3.24Å; R166-V177 PolarHBondContact NH1-O 3.37Å |
| 178 | F | 88 | Confident | 86.2 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.8 | 179.6 | -61.4 | -90.7 | 0 | 0 | 0 | 109.7 | L118 L120 V145 V147 D164 R166 K176 | L118-F178 HydrophobicContact CB-CB 4.31Å; L118-F178 PolarHBondContact N-O 3.01Å; L118-F178 PolarHBondContact O-N 3.16Å; L120-F178 HydrophobicContact CB-CE2 4.47Å; L120-F178 HydrophobicContact CD1-CD2 4.1Å; L120-F178 HydrophobicContact CD1-CE2 3.81Å; L120-F178 HydrophobicContact CG-CD2 4.34Å; L120-F178 HydrophobicContact CG-CE2 4.27Å; V145-F178 HydrophobicContact CB-CE1 4Å; V145-F178 HydrophobicContact CB-CZ 3.84Å; V145-F178 HydrophobicContact CG1-CE1 3.84Å; V145-F178 HydrophobicContact CG1-CE2 4.36Å; V145-F178 HydrophobicContact CG1-CZ 3.51Å; V147-F178 HydrophobicContact CG2-CB 3.99Å; V147-F178 HydrophobicContact CG2-CD1 3.72Å; V147-F178 HydrophobicContact CG2-CD2 4.39Å; V147-F178 HydrophobicContact CG2-CE1 4.29Å; V147-F178 HydrophobicContact CG2-CG 3.77Å; D164-F178 HydrophobicContact CB-CD1 4.49Å; D164-F178 WeakPolarHBondContact OD2-CA 3.39Å; R166-F178 HydrophobicContact CB-CE1 3.97Å; R166-F178 HydrophobicContact CG-CD1 4.16Å; R166-F178 HydrophobicContact CG-CE1 4.04Å; K176-F178 HydrophobicContact CB-CE2 3.85Å; K176-F178 HydrophobicContact CB-CZ 4.32Å |
| 179 | D | 82.6 | Confident | 85.6 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122.2 | 176.3 | -166 | -31.8 | 0 | 0 | 0 | 108.9 | I163 D164 T181 W308 | I163-D179 WeakPolarHBondContact CG2-O 3.5Å; D164-D179 PolarHBondContact OD2-N 2.82Å; D179-T181 WeakPolarHBondContact OD1-CB 3.42Å; D179-T181 PolarHBondContact OD1-N 2.84Å; D179-T181 PolarHBondContact OD1-OG1 3.12Å; D179-W308 WeakPolarHBondContact OD2-CZ2 3.32Å |
| 180 | V | 87.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -124.3 | 20 | 179.2 | -61.7 | 0 | 0 | 0 | 0 | 112 | A116 L118 V147 I163 E182 A183 V184 L199 L235 | A116-V180 HydrophobicContact CB-CG2 3.97Å; A116-V180 WeakPolarHBondContact O-CG2 3.45Å; A116-V180 PolarHBondContact O-N 2.96Å; L118-V180 HydrophobicContact CB-CG1 3.86Å; L118-V180 HydrophobicContact CB-CG2 4.08Å; L118-V180 HydrophobicContact CD2-CG1 4.5Å; V147-V180 HydrophobicContact CG1-CG1 3.92Å; I163-V180 HydrophobicContact CG2-CB 4.35Å; I163-V180 HydrophobicContact CG2-CG1 4.28Å; V180-E182 VanDerWaalsContact C-N 3.3Å; V180-E182 PolarHBondContact O-N 2.96Å; V180-A183 HydrophobicContact CB-CB 4.46Å; V180-A183 WeakPolarHBondContact O-CB 3.06Å; V180-A183 PolarHBondContact O-N 3.32Å; V180-A183 VanDerWaalsContact O-N 3.12Å; V180-V184 PolarHBondContact O-N 3.29Å; V180-L199 HydrophobicContact CB-CD1 4.34Å; V180-L199 HydrophobicContact CG1-CD1 4.1Å; V180-L199 HydrophobicContact CG2-CD1 4.39Å; V180-L235 HydrophobicContact CG2-CD1 3.49Å; V180-L235 VanDerWaalsContact CG2-CD1 3.49Å | ||
| 181 | T | 82.4 | Confident | 83.8 | Confident | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.3 | -44.2 | -177.9 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | L113 Q115 A116 D179 A183 V184 N185 | L113-T181 HydrophobicContact CD2-CG2 4.3Å; Q115-T181 WeakPolarHBondContact CA-OG1 3.39Å; A116-T181 PolarHBondContact N-OG1 3.37Å; A116-T181 PolarHBondContact O-N 2.87Å; A116-T181 PolarHBondContact O-OG1 3.14Å; D179-T181 WeakPolarHBondContact OD1-CB 3.42Å; D179-T181 PolarHBondContact OD1-N 2.84Å; D179-T181 PolarHBondContact OD1-OG1 3.12Å; T181-A183 PolarHBondContact O-N 2.72Å; T181-V184 PolarHBondContact O-N 3.2Å; T181-N185 WeakPolarHBondContact O-CB 2.95Å; T181-N185 PolarHBondContact O-N 3.22Å |
| 182 | E | 82.9 | Confident | 83.2 | Confident | 108 Ų | 108 | 57.9 Ų | 57.9 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.4 | -66 | -169 | 166.4 | 0 | 0 | 112.4 | V180 V184 N185 F186 | V180-E182 VanDerWaalsContact C-N 3.3Å; V180-E182 PolarHBondContact O-N 2.96Å; E182-V184 VanDerWaalsContact C-N 3.3Å; E182-V184 PolarHBondContact O-N 2.93Å; E182-N185 PolarHBondContact O-N 3.26Å; E182-F186 HydrophobicContact CB-CD2 4.34Å; E182-F186 HydrophobicContact CB-CE2 4.06Å; E182-F186 WeakPolarHBondContact O-CD2 3Å; E182-F186 WeakPolarHBondContact O-CG 3.41Å; E182-F186 PolarHBondContact O-N 2.86Å |
| 183 | A | 86.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | W149 I163 V180 T181 W187 L197 L199 | W149-A183 HydrophobicContact CB-CB 4.04Å; W149-A183 HydrophobicContact CG-CB 4.24Å; I163-A183 HydrophobicContact CD1-CB 3.84Å; I163-A183 HydrophobicContact CG1-CB 3.95Å; I163-A183 HydrophobicContact CG2-CB 4.29Å; V180-A183 HydrophobicContact CB-CB 4.46Å; V180-A183 WeakPolarHBondContact O-CB 3.06Å; V180-A183 PolarHBondContact O-N 3.32Å; V180-A183 VanDerWaalsContact O-N 3.12Å; T181-A183 PolarHBondContact O-N 2.72Å; A183-W187 VanDerWaalsContact O-CB 3.26Å; A183-W187 WeakPolarHBondContact O-CB 3.19Å; A183-W187 PolarHBondContact O-N 3.46Å; A183-L197 HydrophobicContact CB-CD1 4.43Å; A183-L199 HydrophobicContact CB-CD2 4.02Å |
| 184 | V | 85.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 111 | M103 L107 L113 A116 V180 T181 E182 W187 Q188 L197 L237 | M103-V184 HydrophobicContact CE-CG1 3.95Å; L107-V184 HydrophobicContact CD1-CG1 3.85Å; L113-V184 HydrophobicContact CD2-CB 3.62Å; L113-V184 HydrophobicContact CD2-CG1 3.47Å; L113-V184 VanDerWaalsContact CD2-CG1 3.47Å; A116-V184 HydrophobicContact CB-CB 4.15Å; A116-V184 HydrophobicContact CB-CG2 3.51Å; V180-V184 PolarHBondContact O-N 3.29Å; T181-V184 PolarHBondContact O-N 3.2Å; E182-V184 VanDerWaalsContact C-N 3.3Å; E182-V184 PolarHBondContact O-N 2.93Å; V184-W187 PolarHBondContact O-N 2.84Å; V184-Q188 WeakPolarHBondContact O-CG 3.49Å; V184-Q188 PolarHBondContact O-N 3.08Å; V184-L197 HydrophobicContact CG2-CD2 3.93Å; V184-L237 HydrophobicContact CG1-CD2 4.45Å; V184-L237 HydrophobicContact CG2-CD2 4.22Å |
| 185 | N | 81.2 | Confident | 81.3 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 32% | 0.316 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.3 | -81.3 | -24.8 | 0 | 0 | 0 | 112.2 | T181 E182 Q188 Q189 | T181-N185 WeakPolarHBondContact O-CB 2.95Å; T181-N185 PolarHBondContact O-N 3.22Å; E182-N185 PolarHBondContact O-N 3.26Å; N185-Q188 WeakPolarHBondContact O-CB 3.46Å; N185-Q188 PolarHBondContact O-N 2.84Å; N185-Q189 WeakPolarHBondContact O-CG 3.32Å |
| 186 | F | 82.1 | Confident | 81.3 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 41% | 0.408 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 176 | -68.7 | -58.4 | 0 | 0 | 0 | 112.3 | W149 E182 Q188 Q189 | W149-F186 HydrophobicContact CE3-CB 4.04Å; W149-F186 HydrophobicContact CH2-CB 3.59Å; W149-F186 HydrophobicContact CZ3-CB 3.28Å; W149-F186 HydrophobicContact CZ3-CD2 4.31Å; W149-F186 HydrophobicContact CZ3-CG 4Å; E182-F186 HydrophobicContact CB-CD2 4.34Å; E182-F186 HydrophobicContact CB-CE2 4.06Å; E182-F186 WeakPolarHBondContact O-CD2 3Å; E182-F186 WeakPolarHBondContact O-CG 3.41Å; E182-F186 PolarHBondContact O-N 2.86Å; F186-Q188 VanDerWaalsContact C-N 3.26Å; F186-Q188 PolarHBondContact O-N 3.15Å; F186-Q189 WeakPolarHBondContact O-CB 3.22Å; F186-Q189 PolarHBondContact O-N 2.95Å; F186-Q189 VanDerWaalsContact O-N 3.12Å |
| 187 | W | 84.7 | Confident | 81.3 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 4% | 0.038 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 174.2 | 173.7 | 87.5 | 0 | 0 | 0 | 112.1 | M103 L107 W149 A183 V184 Q189 L190 R194 P195 L197 | M103-W187 HydrophobicContact CB-CD2 4.34Å; M103-W187 HydrophobicContact CB-CE3 4.34Å; M103-W187 HydrophobicContact CB-CH2 3.3Å; M103-W187 HydrophobicContact CB-CZ2 3.27Å; M103-W187 HydrophobicContact CB-CZ3 3.87Å; M103-W187 HydrophobicContact CG-CD2 4.33Å; M103-W187 HydrophobicContact CG-CH2 4.27Å; M103-W187 HydrophobicContact CG-CZ2 4.05Å; L107-W187 HydrophobicContact CD1-CE3 4.2Å; L107-W187 HydrophobicContact CD1-CZ3 3.71Å; W149-W187 HydrophobicContact CZ2-CB 4.37Å; A183-W187 VanDerWaalsContact O-CB 3.26Å; A183-W187 WeakPolarHBondContact O-CB 3.19Å; A183-W187 PolarHBondContact O-N 3.46Å; V184-W187 PolarHBondContact O-N 2.84Å; W187-Q189 PolarHBondContact O-N 3.11Å; W187-L190 WeakPolarHBondContact O-CB 3.45Å; W187-L190 PolarHBondContact O-N 2.8Å; W187-R194 HydrophobicContact CH2-CB 4.48Å; W187-R194 HydrophobicContact CZ2-CB 3.7Å; W187-R194 HydrophobicContact CZ2-CG 4.45Å; W187-P195 PolarHBondContact NE1-O 2.86Å; W187-L197 HydrophobicContact CB-CD1 3.89Å; W187-L197 HydrophobicContact CG-CD1 4.12Å |
| 188 | Q | 80.4 | Confident | 81.3 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.7 | -27.3 | 177.1 | -76.4 | -180 | 7 | 0 | 0 | 113 | L107 V184 N185 F186 L190 R194 | L107-Q188 HydrophobicContact CD1-CG 3.83Å; V184-Q188 WeakPolarHBondContact O-CG 3.49Å; V184-Q188 PolarHBondContact O-N 3.08Å; N185-Q188 WeakPolarHBondContact O-CB 3.46Å; N185-Q188 PolarHBondContact O-N 2.84Å; F186-Q188 VanDerWaalsContact C-N 3.26Å; F186-Q188 PolarHBondContact O-N 3.15Å; Q188-L190 VanDerWaalsContact C-N 3.35Å; Q188-R194 PolarHBondContact O-NH1 3.16Å |
| 189 | Q | 77.4 | Confident | 81.5 | Confident | 95 Ų | 95 | 57 Ų | 57 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.1 | -178.2 | -62.4 | 168.3 | 21.7 | 0 | 0 | 113.4 | N185 F186 W187 | N185-Q189 WeakPolarHBondContact O-CG 3.32Å; F186-Q189 WeakPolarHBondContact O-CB 3.22Å; F186-Q189 PolarHBondContact O-N 2.95Å; F186-Q189 VanDerWaalsContact O-N 3.12Å; W187-Q189 PolarHBondContact O-N 3.11Å |
| 190 | L | 76.4 | Confident | 81.8 | Confident | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -65.6 | 142.3 | 177.3 | -66.8 | 175.2 | 0 | 0 | 0 | 111.8 | W149 W187 Q188 R194 P195 | W149-L190 HydrophobicContact CZ2-CD1 4.12Å; W187-L190 WeakPolarHBondContact O-CB 3.45Å; W187-L190 PolarHBondContact O-N 2.8Å; Q188-L190 VanDerWaalsContact C-N 3.35Å; L190-R194 HydrophobicContact CB-CG 4.1Å; L190-R194 WeakPolarHBondContact O-CG 3.5Å; L190-P195 HydrophobicContact CD1-CG 4.09Å |
| 191 | S | 65.6 | Low | 82 | Confident | 109 Ų | 109 | 58.1 Ų | 58.1 | 76% | 0.762 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 147.2 | 173.5 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | P193 | S191-P193 CarbonylContact O-C 3.49Š|
| 192 | R | 74 | Confident | 82.5 | Confident | 205 Ų | 205 | 57.8 Ų | 57.8 | 77% | 0.774 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -80.9 | 142.9 | 177 | -65.5 | -170.8 | -177.3 | -158.8 | 3.2 | 110.5 | ||
| 193 | P | 68.4 | Low | 82.8 | Confident | 130 Ų | 130 | 52.8 Ų | 52.8 | 84% | 0.844 | 27% | 0.272 | S | S | * | . | S | Bend | cis | -74.1 | 136.7 | -0.3 | 30.2 | -34 | 0 | 0 | 0 | 112.5 | S191 | S191-P193 CarbonylContact O-C 3.49Š|
| 194 | R | 76.8 | Confident | 83 | Confident | 84 Ų | 84 | 57 Ų | 57 | 32% | 0.317 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -84 | 128.7 | -176.5 | -75.2 | -179.1 | -89.1 | -165 | 2.1 | 110 | W187 Q188 L190 | W187-R194 HydrophobicContact CH2-CB 4.48Å; W187-R194 HydrophobicContact CZ2-CB 3.7Å; W187-R194 HydrophobicContact CZ2-CG 4.45Å; Q188-R194 PolarHBondContact O-NH1 3.16Å; L190-R194 HydrophobicContact CB-CG 4.1Å; L190-R194 WeakPolarHBondContact O-CG 3.5Å |
| 195 | P | 81.6 | Confident | 83 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 165.7 | 173.7 | 28.5 | -34.6 | 0 | 0 | 0 | 110.9 | W187 L190 | W187-P195 PolarHBondContact NE1-O 2.86Å; L190-P195 HydrophobicContact CD1-CG 4.09Å |
| 196 | P | 86.8 | Confident | 83.1 | Confident | 61 Ų | 61 | 60 Ų | 60 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 156.2 | 171.4 | 27.3 | -35.4 | 0 | 0 | 0 | 111.5 | V100 F101 L198 | V100-P196 HydrophobicContact CG1-CB 3.83Å; V100-P196 HydrophobicContact CG1-CG 4.02Å; F101-P196 WeakPolarHBondContact O-CA 3.47Å; F101-P196 VanDerWaalsContact O-CB 3.31Å; F101-P196 WeakPolarHBondContact O-CB 3.43Å; P196-L198 HydrophobicContact CG-CD2 4.29Å; P196-L198 PolarHBondContact O-N 2.91Å |
| 197 | L | 88.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120.9 | 172.6 | 177.4 | 76.7 | 0 | 0 | 0 | 108.7 | F101 M103 A183 V184 W187 L199 L235 | F101-L197 HydrophobicContact CB-CB 4.23Å; F101-L197 PolarHBondContact N-O 2.97Å; F101-L197 PolarHBondContact O-N 2.74Å; M103-L197 HydrophobicContact CE-CD2 4.49Å; M103-L197 HydrophobicContact CG-CB 3.5Å; M103-L197 HydrophobicContact SD-CB 4.13Å; M103-L197 HydrophobicContact SD-CD2 4.17Å; A183-L197 HydrophobicContact CB-CD1 4.43Å; V184-L197 HydrophobicContact CG2-CD2 3.93Å; W187-L197 HydrophobicContact CB-CD1 3.89Å; W187-L197 HydrophobicContact CG-CD1 4.12Å; L197-L199 HydrophobicContact CD1-CD2 4.46Å; L197-L199 HydrophobicContact CD2-CD1 4.33Å; L197-L199 HydrophobicContact CD2-CG 4.36Å; L197-L199 HydrophobicContact CG-CD2 4.4Å; L197-L199 HydrophobicContact CG-CG 4.29Å; L197-L235 HydrophobicContact CD2-CD2 3.71Å |
| 198 | L | 89 | Confident | 82.2 | Confident | 24 Ų | 24 | 68.8 Ų | 68.8 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 117.5 | -179.7 | -56.4 | 175.7 | 0 | 0 | 0 | 109.5 | L98 L99 V100 W149 L150 V152 P196 | L98-L198 HydrophobicContact CD1-CB 4.37Å; L99-L198 WeakPolarHBondContact O-CA 3.37Å; V100-L198 HydrophobicContact CB-CD2 4.03Å; V100-L198 HydrophobicContact CG1-CD2 3.76Å; V100-L198 HydrophobicContact CG2-CD2 3.5Å; W149-L198 VanDerWaalsContact CD1-O 3.31Å; L150-L198 HydrophobicContact CB-CB 3.96Å; L150-L198 HydrophobicContact CD2-CB 4.5Å; L150-L198 HydrophobicContact CD2-CD1 4.33Å; L150-L198 PolarHBondContact N-O 3.34Å; V152-L198 HydrophobicContact CG2-CD1 3.89Å; P196-L198 HydrophobicContact CG-CD2 4.29Å; P196-L198 PolarHBondContact O-N 2.91Å |
| 199 | L | 90.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.5 | 175.8 | -62.2 | 179.3 | 0 | 0 | 0 | 109.3 | L99 F101 L118 V147 E148 W149 V180 A183 L197 | L99-L199 HydrophobicContact CB-CB 4.41Å; L99-L199 PolarHBondContact N-O 3.31Å; L99-L199 PolarHBondContact O-N 3.46Å; F101-L199 HydrophobicContact CD2-CD1 4.3Å; F101-L199 HydrophobicContact CD2-CG 4.49Å; F101-L199 HydrophobicContact CE2-CB 4.47Å; F101-L199 HydrophobicContact CE2-CD1 3.92Å; F101-L199 HydrophobicContact CE2-CG 4.36Å; L118-L199 HydrophobicContact CD2-CD1 4.19Å; V147-L199 HydrophobicContact CG1-CB 4.5Å; E148-L199 CarbonylContact O-C 3.57Å; E148-L199 WeakPolarHBondContact O-CA 3.14Å; W149-L199 HydrophobicContact CB-CD2 4.38Å; V180-L199 HydrophobicContact CB-CD1 4.34Å; V180-L199 HydrophobicContact CG1-CD1 4.1Å; V180-L199 HydrophobicContact CG2-CD1 4.39Å; A183-L199 HydrophobicContact CB-CD2 4.02Å; L197-L199 HydrophobicContact CD1-CD2 4.46Å; L197-L199 HydrophobicContact CD2-CD1 4.33Å; L197-L199 HydrophobicContact CD2-CG 4.36Å; L197-L199 HydrophobicContact CG-CD2 4.4Å; L197-L199 HydrophobicContact CG-CG 4.29Å |
| 200 | Q | 90.4 | Very high | 81.1 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.3 | 173 | -179.2 | 174.6 | -72.3 | 0 | 0 | 108.8 | T96 V147 E148 | T96-Q200 HydrophobicContact CG2-CG 3.68Å; V147-Q200 WeakPolarHBondContact CA-O 3.5Å; E148-Q200 HydrophobicContact CB-CB 4.41Å; E148-Q200 PolarHBondContact N-O 3.49Å; E148-Q200 PolarHBondContact O-N 2.93Å; E148-Q200 PolarHBondContact OE2-NE2 2.93Å |
| 201 | V | 91.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.012 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.7 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 108 | T96 H97 L99 L118 L120 V145 T146 V147 | T96-V201 CarbonylContact C-O 3.57Å; T96-V201 WeakPolarHBondContact CA-O 3.42Å; H97-V201 HydrophobicContact CB-CB 4.17Å; H97-V201 PolarHBondContact N-O 3.46Å; H97-V201 PolarHBondContact O-N 3.24Å; L99-V201 HydrophobicContact CD1-CG2 3.86Å; L99-V201 HydrophobicContact CG-CG2 4.42Å; L118-V201 HydrophobicContact CD2-CG2 4.12Å; L120-V201 HydrophobicContact CD1-CG1 3.79Å; L120-V201 HydrophobicContact CD1-CG2 4.07Å; V145-V201 HydrophobicContact CG1-CG1 3.76Å; T146-V201 CarbonylContact O-C 3.59Å; T146-V201 WeakPolarHBondContact O-CA 3.34Å; V147-V201 HydrophobicContact CG2-CG2 4.38Å |
| 202 | S | 91 | Very high | 80.7 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.049 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.8 | 177.6 | 92.1 | 0 | 0 | 0 | 0 | 111.7 | S95 V145 T146 Q204 | S95-S202 CarbonylContact O-C 3.51Å; S95-S202 WeakPolarHBondContact O-CA 3.26Å; V145-S202 WeakPolarHBondContact CA-O 3.36Å; T146-S202 PolarHBondContact N-O 3.39Å; T146-S202 PolarHBondContact O-N 3.38Å; T146-S202 PolarHBondContact OG1-O 3.31Å; T146-S202 PolarHBondContact OG1-OG 2.88Å; S202-Q204 PolarHBondContact OG-NE2 3.22Å |
| 203 | V | 91.1 | Very high | 81 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 107.9 | 178.5 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | S95 A143 R144 V145 H216 V219 F221 | S95-V203 WeakPolarHBondContact CB-O 3.45Å; S95-V203 PolarHBondContact O-N 2.84Å; A143-V203 HydrophobicContact CB-CG1 3.96Å; R144-V203 CarbonylContact O-C 3.55Å; V145-V203 HydrophobicContact CG2-CG2 4.46Å; V203-H216 HydrophobicContact CG1-CB 4Å; V203-V219 HydrophobicContact CG1-CB 3.98Å; V203-V219 HydrophobicContact CG1-CG1 4.22Å; V203-F221 HydrophobicContact CG2-CD2 4.34Å; V203-F221 HydrophobicContact CG2-CE2 3.97Å |
| 204 | Q | 89.1 | Confident | 81.6 | Confident | 89 Ų | 89 | 55.3 Ų | 55.3 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 165.6 | -173.9 | -58.3 | -178 | 0.6 | 0 | 0 | 111.5 | R144 S202 H216 | R144-Q204 HydrophobicContact CB-CB 4.49Å; R144-Q204 PolarHBondContact N-O 2.03Å; R144-Q204 PolarHBondContact O-N 3.45Å; S202-Q204 PolarHBondContact OG-NE2 3.22Å; Q204-H216 WeakPolarHBondContact O-CB 3.35Å |
| 205 | R | 86.6 | Confident | 82 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 39% | 0.389 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 148.7 | 171.5 | -62.7 | -179.1 | -166.4 | -154.4 | 10 | 109.7 | H207 A212 H216 | R205-H207 VanDerWaalsContact C-N 3.3Å; R205-H207 VanDerWaalsContact CB-O 3.31Å; R205-H207 WeakPolarHBondContact CB-O 3.41Å; R205-H207 PolarHBondContact O-N 3.31Å; R205-A212 HydrophobicContact CB-CB 4.41Å; R205-H216 VanDerWaalsContact CG-CE1 3.42Å; R205-H216 WeakPolarHBondContact CG-CE1 3.31Å; R205-H216 VanDerWaalsContact CG-ND1 3.33Å; R205-H216 WeakPolarHBondContact CG-ND1 3.47Å; R205-H216 PolarHBondContact NE-CE1 3.41Å; R205-H216 VanDerWaalsContact NE-CE1 3.28Å |
| 206 | E | 83.8 | Confident | 82.2 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -61.6 | -40.2 | 174.5 | -174.9 | -176.3 | -176.6 | 0 | 0 | 112 | S140 R142 L167 | S140-E206 WeakPolarHBondContact CB-OE2 3.36Å; S140-E206 PolarHBondContact OG-OE2 3.38Å; R142-E206 IonicContact CZ-OE1 2.84Å; R142-E206 VanDerWaalsContact CZ-OE1 3.25Å; R142-E206 IonicContact NE-OE1 2.7Å; R142-E206 PolarHBondContact NE-OE1 3.11Å; R142-E206 VanDerWaalsContact NE-OE1 3.07Å; R142-E206 IonicContact NE-OE2 3.61Å; R142-E206 IonicContact NH2-OE1 3.26Å; R142-E206 PolarHBondContact NH2-OE1 3.22Å; L167-E206 HydrophobicContact CD1-CG 4.31Å; L167-E206 HydrophobicContact CD2-CB 4.36Å; L167-E206 HydrophobicContact CD2-CG 3.85Å |
| 207 | H | 77.8 | Confident | 82.2 | Confident | 119 Ų | 119 | 53.2 Ų | 53.2 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -127.8 | 150.3 | 178.6 | -62.8 | 87.6 | 0 | 0 | 0 | 110.1 | R205 A212 | R205-H207 VanDerWaalsContact C-N 3.3Å; R205-H207 VanDerWaalsContact CB-O 3.31Å; R205-H207 WeakPolarHBondContact CB-O 3.41Å; R205-H207 PolarHBondContact O-N 3.31Å; H207-A212 WeakPolarHBondContact O-CB 3.49Å |
| 208 | L | 69.4 | Low | 82.2 | Confident | 169 Ų | 169 | 55 Ų | 55 | 89% | 0.885 | 29% | 0.294 | S | S | * | . | trans | -96.9 | 122.5 | 171 | -63.7 | 172.9 | 0 | 0 | 0 | 108.5 | ||||
| 209 | G | 68.8 | Low | 82.2 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 42% | 0.423 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 152.7 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L211 A212 | G209-L211 PolarHBondContact O-N 2.95Å; G209-A212 WeakPolarHBondContact O-CB 3.3Å; G209-A212 PolarHBondContact O-N 3.08Å |
| 210 | P | 65.6 | Low | 82.1 | Confident | 145 Ų | 145 | 61.6 Ų | 61.6 | 94% | 0.942 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26 | -176.7 | -21.2 | 31.9 | 0 | 0 | 0 | 113.8 | ||
| 211 | L | 66.1 | Low | 81.9 | Confident | 136 Ų | 136 | 60.1 Ų | 60.1 | 71% | 0.712 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 5 | 179.6 | -79.3 | 145 | 0 | 0 | 0 | 113.6 | G209 S213 | G209-L211 PolarHBondContact O-N 2.95Å; L211-S213 PolarHBondContact O-N 3.23Å |
| 212 | A | 68.3 | Low | 81.5 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | trans | -71.9 | 125.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R205 H207 G209 | R205-A212 HydrophobicContact CB-CB 4.41Å; H207-A212 WeakPolarHBondContact O-CB 3.49Å; G209-A212 WeakPolarHBondContact O-CB 3.3Å; G209-A212 PolarHBondContact O-N 3.08Å | ||
| 213 | S | 78.6 | Confident | 80.6 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | trans | -60.6 | 138 | 178.7 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | H133 S140 L211 A215 | H133-S213 PolarHBondContact CE1-OG 2.86Å; H133-S213 PolarHBondContact NE2-OG 3.46Å; S140-S213 WeakPolarHBondContact O-CB 3.37Å; S140-S213 PolarHBondContact O-OG 3.38Å; S140-S213 WeakPolarHBondContact OG-CB 3.36Å; L211-S213 PolarHBondContact O-N 3.23Å; S213-A215 PolarHBondContact O-N 3.43Å; S213-A215 WeakPolarHBondContact OG-CB 3.48Å; S213-A215 PolarHBondContact OG-N 3.49Å | ||
| 214 | G | 81.8 | Confident | 79.1 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 24% | 0.237 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -72.8 | 7.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H216 K217 | G214-H216 VanDerWaalsContact C-N 3.26Å; G214-H216 PolarHBondContact O-N 3.12Å; G214-K217 WeakPolarHBondContact O-CB 3.44Å; G214-K217 PolarHBondContact O-N 2.95Å; G214-K217 VanDerWaalsContact O-N 3.09Å |
| 215 | A | 85.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -55.1 | -35.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H133 V170 S213 K217 L218 | H133-A215 PolarHBondContact NE2-N 3.3Å; V170-A215 HydrophobicContact CG1-CB 3.8Å; V170-A215 WeakPolarHBondContact CG1-O 3.45Å; S213-A215 PolarHBondContact O-N 3.43Å; S213-A215 WeakPolarHBondContact OG-CB 3.48Å; S213-A215 PolarHBondContact OG-N 3.49Å; A215-K217 PolarHBondContact O-N 2.87Å; A215-K217 VanDerWaalsContact O-N 3.1Å; A215-L218 WeakPolarHBondContact O-CB 3.4Å; A215-L218 PolarHBondContact O-N 2.91Å |
| 216 | H | 86.8 | Confident | 75.7 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 12% | 0.116 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -51.7 | -31.5 | 175.6 | 67.5 | -69.1 | 0 | 0 | 0 | 114.4 | A143 V203 Q204 R205 G214 L218 V219 | A143-H216 HydrophobicContact CB-CB 4.02Å; V203-H216 HydrophobicContact CG1-CB 4Å; Q204-H216 WeakPolarHBondContact O-CB 3.35Å; R205-H216 VanDerWaalsContact CG-CE1 3.42Å; R205-H216 WeakPolarHBondContact CG-CE1 3.31Å; R205-H216 VanDerWaalsContact CG-ND1 3.33Å; R205-H216 WeakPolarHBondContact CG-ND1 3.47Å; R205-H216 PolarHBondContact NE-CE1 3.41Å; R205-H216 VanDerWaalsContact NE-CE1 3.28Å; G214-H216 VanDerWaalsContact C-N 3.26Å; G214-H216 PolarHBondContact O-N 3.12Å; H216-L218 PolarHBondContact O-N 2.93Å; H216-V219 PolarHBondContact O-N 3.2Å |
| 217 | K | 87.1 | Confident | 74 | Confident | 145 Ų | 145 | 67.4 Ų | 67.4 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -70.7 | -18.1 | 179.1 | -60.2 | -177.6 | 177.4 | -176.9 | 0 | 113.6 | G214 A215 | G214-K217 WeakPolarHBondContact O-CB 3.44Å; G214-K217 PolarHBondContact O-N 2.95Å; G214-K217 VanDerWaalsContact O-N 3.09Å; A215-K217 PolarHBondContact O-N 2.87Å; A215-K217 VanDerWaalsContact O-N 3.1Å |
| 218 | L | 87.5 | Confident | 72.6 | Confident | 38 Ų | 38 | 66 Ų | 66 | 20% | 0.199 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -21.5 | -178.8 | -61 | 179 | 0 | 0 | 0 | 112.3 | V125 A129 H133 V170 A215 H216 R220 | V125-L218 HydrophobicContact CG1-CB 4.03Å; V125-L218 HydrophobicContact CG1-CD1 4.31Å; V125-L218 HydrophobicContact CG1-CD2 4.31Å; V125-L218 HydrophobicContact CG1-CG 4.46Å; V125-L218 HydrophobicContact CG2-CB 4.27Å; V125-L218 WeakPolarHBondContact CG2-O 3.3Å; A129-L218 HydrophobicContact CB-CD2 4.02Å; H133-L218 HydrophobicContact CB-CD1 3.71Å; V170-L218 HydrophobicContact CG1-CB 4.09Å; A215-L218 WeakPolarHBondContact O-CB 3.4Å; A215-L218 PolarHBondContact O-N 2.91Å; H216-L218 PolarHBondContact O-N 2.93Å; L218-R220 PolarHBondContact O-N 2.62Å |
| 219 | V | 88.9 | Confident | 72 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 5% | 0.048 | 38% | 0.382 | C | S | . | . | trans | -76.9 | 120.8 | 177.7 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | Q122 A143 V168 V170 V203 H216 F221 | Q122-V219 HydrophobicContact CG-CG1 4.49Å; A143-V219 HydrophobicContact CB-CB 4.5Å; A143-V219 HydrophobicContact CB-CG2 3.71Å; V168-V219 HydrophobicContact CG2-CG1 4.09Å; V168-V219 HydrophobicContact CG2-CG2 4.16Å; V170-V219 HydrophobicContact CG1-CG2 3.74Å; V203-V219 HydrophobicContact CG1-CB 3.98Å; V203-V219 HydrophobicContact CG1-CG1 4.22Å; H216-V219 PolarHBondContact O-N 3.2Å; V219-F221 HydrophobicContact CG1-CE2 4Å; V219-F221 HydrophobicContact CG1-CZ 4.12Å | ||
| 220 | R | 88.1 | Confident | 71.5 | Confident | 154 Ų | 154 | 64.5 Ų | 64.5 | 58% | 0.581 | 39% | 0.394 | S | S | * | . | trans | -129.5 | 140.8 | 175 | -65.6 | -177 | -179.2 | 149.8 | -1.6 | 109.2 | Q122 E123 L218 | Q122-R220 WeakPolarHBondContact CA-O 3.47Å; E123-R220 HydrophobicContact CB-CB 4.43Å; E123-R220 PolarHBondContact N-O 3.34Å; E123-R220 WeakPolarHBondContact OE2-CB 3.44Å; L218-R220 PolarHBondContact O-N 2.62Å | ||
| 221 | F | 87.4 | Confident | 71.7 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -106.3 | 138.9 | 172.3 | -66.9 | -72.4 | 0 | 0 | 0 | 108.9 | L120 F121 Q122 V145 K176 V203 V219 S223 | L120-F221 HydrophobicContact CB-CD1 3.53Å; L120-F221 HydrophobicContact CB-CE1 3.8Å; L120-F221 HydrophobicContact CB-CG 4.15Å; L120-F221 HydrophobicContact CD1-CD1 4.45Å; L120-F221 HydrophobicContact CD1-CE1 4.46Å; L120-F221 HydrophobicContact CD1-CG 4.48Å; F121-F221 VanDerWaalsContact O-CA 3.29Å; F121-F221 WeakPolarHBondContact O-CA 3.31Å; Q122-F221 HydrophobicContact CB-CD1 4.25Å; Q122-F221 HydrophobicContact CB-CE1 3.97Å; V145-F221 HydrophobicContact CG1-CE2 4.11Å; V145-F221 HydrophobicContact CG1-CZ 4.27Å; V145-F221 HydrophobicContact CG2-CE2 4.02Å; V145-F221 HydrophobicContact CG2-CZ 3.95Å; K176-F221 HydrophobicContact CB-CE1 4.29Å; K176-F221 HydrophobicContact CG-CE1 4.16Å; V203-F221 HydrophobicContact CG2-CD2 4.34Å; V203-F221 HydrophobicContact CG2-CE2 3.97Å; V219-F221 HydrophobicContact CG1-CE2 4Å; V219-F221 HydrophobicContact CG1-CZ 4.12Å; F221-S223 PolarHBondContact O-N 2.88Å |
| 222 | A | 82.4 | Confident | 72.3 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | trans | -60.2 | 136.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F121 E123 G231 | F121-A222 HydrophobicContact CB-CB 4.37Å; F121-A222 HydrophobicContact CD1-CB 4.2Å; F121-A222 PolarHBondContact O-N 2.85Å; E123-A222 HydrophobicContact CG-CB 4.23Å; A222-G231 WeakPolarHBondContact CB-O 3.28Å | ||
| 223 | S | 71.8 | Confident | 73.2 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | trans | -115.8 | 164.6 | 177.8 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | F221 G225 A226 | F221-S223 PolarHBondContact O-N 2.88Å; S223-G225 PolarHBondContact O-N 2.96Å; S223-A226 PolarHBondContact O-N 3.04Å | ||
| 224 | Q | 60.3 | Low | 73.5 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 103 | 177 | -89.3 | 179.7 | -11 | 0 | 0 | 110 | G87 E232 | G87-Q224 PolarHBondContact O-NE2 3.4Å; Q224-E232 HydrophobicContact CG-CG 4.21Å |
| 225 | G | 52.9 | Low | 73.7 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 73% | 0.732 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 150.7 | -10.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | S223 | S223-G225 PolarHBondContact O-N 2.96Š|
| 226 | A | 52.2 | Low | 73.7 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -68.7 | 140.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | S223 A228 | S223-A226 PolarHBondContact O-N 3.04Å; A226-A228 PolarHBondContact O-N 3.38Å; A226-A228 VanDerWaalsContact O-N 3.16Å |
| 227 | P | 47.4 | Very low | 73.4 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 77% | 0.766 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 121.9 | -178.1 | 24.4 | -30.2 | 0 | 0 | 0 | 109.9 | ||
| 228 | A | 49.1 | Very low | 73 | Confident | 89 Ų | 89 | 51 Ų | 51 | 74% | 0.736 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | A226 L230 | A226-A228 PolarHBondContact O-N 3.38Å; A226-A228 VanDerWaalsContact O-N 3.16Å; A228-L230 HydrophobicContact CB-CD1 4.34Å; A228-L230 PolarHBondContact O-N 3.29Å |
| 229 | G | 56 | Low | 72.5 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 60.4 | 7.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G231 | G229-G231 PolarHBondContact O-N 3.48Š|
| 230 | L | 59.2 | Low | 71.9 | Confident | 129 Ų | 129 | 51.1 Ų | 51.1 | 68% | 0.675 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 106.1 | -178.1 | -86.1 | 149.8 | 0 | 0 | 0 | 108.1 | A228 | A228-L230 HydrophobicContact CB-CD1 4.34Å; A228-L230 PolarHBondContact O-N 3.29Å |
| 231 | G | 67.8 | Low | 71.3 | Confident | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | 9.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | F121 A222 G229 | F121-G231 VanDerWaalsContact CB-CA 3.4Å; A222-G231 WeakPolarHBondContact CB-O 3.28Å; G229-G231 PolarHBondContact O-N 3.48Å |
| 232 | E | 80.4 | Confident | 70.8 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | trans | -57.1 | 143.7 | 172.7 | -68 | -169 | -179.7 | 0 | 0 | 111.4 | A86 Q224 Q234 | A86-E232 WeakPolarHBondContact CB-OE2 3.31Å; Q224-E232 HydrophobicContact CG-CG 4.21Å; E232-Q234 PolarHBondContact O-N 3.2Å | ||
| 233 | P | 85.8 | Confident | 70.5 | Confident | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | trans | -59.6 | 119.7 | 175.3 | -25.7 | 35.3 | 0 | 0 | 0 | 111.6 | G87 L99 L120 | G87-P233 PolarHBondContact N-O 3.07Å; L99-P233 HydrophobicContact CD1-CB 4.08Å; L99-P233 HydrophobicContact CD2-CB 3.92Å; L99-P233 HydrophobicContact CD2-CG 3.8Å; L120-P233 HydrophobicContact CD2-CB 3.78Å; L120-P233 HydrophobicContact CD2-CG 4.19Å | ||
| 234 | Q | 85.5 | Confident | 70.6 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 20% | 0.201 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.4 | -179 | -71.3 | 176 | -22.8 | 0 | 0 | 110.5 | M85 R119 E232 | M85-Q234 WeakPolarHBondContact O-CA 3.34Å; R119-Q234 HydrophobicContact CB-CB 4.26Å; R119-Q234 PolarHBondContact N-O 3.37Å; R119-Q234 PolarHBondContact O-N 3.02Å; E232-Q234 PolarHBondContact O-N 3.2Å |
| 235 | L | 85.9 | Confident | 71.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 112.9 | 167.7 | 177.6 | 62.5 | 0 | 0 | 0 | 109 | M85 F101 M103 A116 V180 L197 L237 | M85-L235 HydrophobicContact CB-CB 4.31Å; M85-L235 HydrophobicContact CE-CB 3.82Å; M85-L235 HydrophobicContact CE-CD2 3.38Å; M85-L235 HydrophobicContact CE-CG 3.46Å; M85-L235 VanDerWaalsContact CE-CG 3.46Å; M85-L235 PolarHBondContact O-N 2.75Å; M85-L235 VanDerWaalsContact O-N 3.16Å; M85-L235 HydrophobicContact SD-CD2 4.35Å; F101-L235 HydrophobicContact CB-CD2 4.11Å; F101-L235 HydrophobicContact CD1-CB 3.69Å; F101-L235 HydrophobicContact CD1-CD2 3.9Å; F101-L235 HydrophobicContact CD1-CG 4.46Å; F101-L235 HydrophobicContact CD2-CD2 3.98Å; F101-L235 HydrophobicContact CE1-CB 3.39Å; F101-L235 HydrophobicContact CE1-CD2 4.3Å; F101-L235 HydrophobicContact CE1-CG 4.49Å; F101-L235 HydrophobicContact CE2-CB 4.44Å; F101-L235 HydrophobicContact CE2-CD2 4.37Å; F101-L235 HydrophobicContact CG-CB 4.33Å; F101-L235 HydrophobicContact CG-CD2 3.72Å; F101-L235 HydrophobicContact CZ-CB 3.81Å; M103-L235 HydrophobicContact SD-CD2 4.13Å; A116-L235 HydrophobicContact CB-CD1 4.49Å; V180-L235 HydrophobicContact CG2-CD1 3.49Å; V180-L235 VanDerWaalsContact CG2-CD1 3.49Å; L197-L235 HydrophobicContact CD2-CD2 3.71Å; L235-L237 HydrophobicContact CD1-CD2 4.41Å; L235-L237 HydrophobicContact CG-CD2 4.22Å |
| 236 | E | 84.1 | Confident | 72.6 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.4 | 178 | -68.6 | 176.7 | -178.2 | 0 | 0 | 109.4 | A116 V117 R119 | A116-E236 CarbonylContact C-O 3.52Å; A116-E236 WeakPolarHBondContact CA-O 3.43Å; V117-E236 HydrophobicContact CB-CB 4.43Å; V117-E236 PolarHBondContact N-O 3.05Å; V117-E236 PolarHBondContact O-N 3.05Å; R119-E236 WeakPolarHBondContact CD-OE1 3.39Å; R119-E236 WeakPolarHBondContact CD-OE2 3.28Å; R119-E236 IonicContact CZ-OE1 2.7Å; R119-E236 IonicContact NE-OE1 3.07Å; R119-E236 IonicContact NH1-OE1 3.9Å; R119-E236 PolarHBondContact NH1-OE1 2.77Å; R119-E236 IonicContact NH1-OE2 2.86Å |
| 237 | L | 82.4 | Confident | 74.1 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.8 | 177.5 | -57.4 | 178.8 | 0 | 0 | 0 | 108.5 | M85 M103 L107 L113 A116 V184 L235 | M85-L237 HydrophobicContact CE-CD1 3.62Å; M85-L237 HydrophobicContact CE-CD2 4.25Å; M85-L237 HydrophobicContact CE-CG 3.74Å; M103-L237 HydrophobicContact CE-CD1 3.84Å; M103-L237 HydrophobicContact CE-CD2 4.4Å; L107-L237 HydrophobicContact CD2-CD1 4.14Å; L107-L237 HydrophobicContact CG-CD1 4.21Å; L113-L237 HydrophobicContact CD1-CB 4.41Å; L113-L237 HydrophobicContact CD1-CD2 4.29Å; A116-L237 HydrophobicContact CB-CD2 3.6Å; V184-L237 HydrophobicContact CG1-CD2 4.45Å; V184-L237 HydrophobicContact CG2-CD2 4.22Å; L235-L237 HydrophobicContact CD1-CD2 4.41Å; L235-L237 HydrophobicContact CG-CD2 4.22Å |
| 238 | H | 76.9 | Confident | 75.8 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.9 | 172.8 | -59.2 | -80.5 | 0 | 0 | 0 | 108.6 | V114 Q115 L304 | V114-H238 PolarHBondContact N-O 3.49Å; Q115-H238 HydrophobicContact CB-CB 4.11Å; Q115-H238 PolarHBondContact N-O 3.05Å; Q115-H238 VanDerWaalsContact N-O 3.15Å; Q115-H238 PolarHBondContact O-N 2.7Å; H238-L304 HydrophobicContact CB-CD2 4.26Å; H238-L304 VanDerWaalsContact ND1-CD2 3.31Å; H238-L304 WeakPolarHBondContact ND1-CD2 3.5Å |
| 239 | T | 77.5 | Confident | 77.5 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 25% | 0.252 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.3 | -180 | 63 | 0 | 0 | 0 | 0 | 110.8 | L107 E112 L113 | L107-T239 HydrophobicContact CD2-CG2 3.9Å; E112-T239 CarbonylContact O-C 3.59Å; E112-T239 WeakPolarHBondContact O-CA 3.39Å; E112-T239 WeakPolarHBondContact O-CB 3.49Å; L113-T239 HydrophobicContact CD1-CG2 4.14Å |
| 240 | L | 76.5 | Confident | 78.8 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137.1 | 169.6 | -67.9 | 172.1 | 0 | 0 | 0 | 109.5 | S111 E112 V114 L242 Y245 P300 | S111-L240 CarbonylContact C-O 3.57Å; S111-L240 WeakPolarHBondContact CA-O 3.33Å; S111-L240 WeakPolarHBondContact CB-O 3.29Å; E112-L240 PolarHBondContact N-O 3.26Å; E112-L240 PolarHBondContact O-N 3.16Å; V114-L240 HydrophobicContact CG2-CB 4.26Å; V114-L240 HydrophobicContact CG2-CD1 3.4Å; V114-L240 VanDerWaalsContact CG2-CD1 3.4Å; V114-L240 HydrophobicContact CG2-CG 3.45Å; V114-L240 VanDerWaalsContact CG2-CG 3.45Å; L240-L242 PolarHBondContact O-N 3.05Å; L240-Y245 HydrophobicContact CB-CD2 4.31Å; L240-Y245 HydrophobicContact CB-CG 4.28Å; L240-Y245 HydrophobicContact CD1-CD1 4.5Å; L240-Y245 HydrophobicContact CD1-CG 4.4Å; L240-Y245 HydrophobicContact CD2-CD1 4.07Å; L240-Y245 HydrophobicContact CD2-CD2 3.97Å; L240-Y245 HydrophobicContact CD2-CE1 4.19Å; L240-Y245 HydrophobicContact CD2-CE2 4.1Å; L240-Y245 HydrophobicContact CD2-CG 3.96Å; L240-Y245 HydrophobicContact CG-CG 4.43Å; L240-P300 HydrophobicContact CD1-CB 4.07Å; L240-P300 HydrophobicContact CD2-CB 4.12Å |
| 241 | D | 76.3 | Confident | 80.1 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118.4 | 169.8 | -167.1 | -26 | 0 | 0 | 0 | 109 | R243 D244 Y245 | D241-R243 PolarHBondContact O-N 3.19Å; D241-R243 VanDerWaalsContact O-N 3.14Å; D241-R243 VanDerWaalsContact OD1-CB 3.3Å; D241-R243 WeakPolarHBondContact OD1-CB 3.4Å; D241-R243 WeakPolarHBondContact OD1-CG 3.36Å; D241-R243 PolarHBondContact OD1-N 2.8Å; D241-D244 PolarHBondContact O-N 2.86Å; D241-D244 VanDerWaalsContact O-N 3.13Å; D241-Y245 PolarHBondContact O-N 2.9Å |
| 242 | L | 75.6 | Confident | 80.7 | Confident | 66 Ų | 66 | 45.3 Ų | 45.3 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -13.2 | 178.8 | -68.7 | 173.2 | 0 | 0 | 0 | 112.7 | N110 E112 L240 G246 | N110-L242 VanDerWaalsContact O-CB 3.31Å; N110-L242 WeakPolarHBondContact O-CB 3.24Å; N110-L242 WeakPolarHBondContact O-CG 3.38Å; N110-L242 PolarHBondContact O-N 3.01Å; E112-L242 HydrophobicContact CB-CD2 3.96Å; E112-L242 HydrophobicContact CB-CG 4.46Å; L240-L242 PolarHBondContact O-N 3.05Å; L242-G246 CarbonylContact O-C 3.57Å; L242-G246 WeakPolarHBondContact O-CA 3.46Å; L242-G246 PolarHBondContact O-N 3.44Å |
| 243 | R | 75.7 | Confident | 80.5 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.7 | -36.4 | 172.9 | -65.4 | 178.8 | 179.2 | -179.2 | 9 | 112.7 | R77 D241 R262 | R77-R243 VanDerWaalsContact CG-NH2 3.29Å; D241-R243 PolarHBondContact O-N 3.19Å; D241-R243 VanDerWaalsContact O-N 3.14Å; D241-R243 VanDerWaalsContact OD1-CB 3.3Å; D241-R243 WeakPolarHBondContact OD1-CB 3.4Å; D241-R243 WeakPolarHBondContact OD1-CG 3.36Å; D241-R243 PolarHBondContact OD1-N 2.8Å; R243-R262 PolarHBondContact O-NH1 2.95Å |
| 244 | D | 74.4 | Confident | 80 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -95.5 | -39.3 | -176.7 | -65.8 | -40.1 | 0 | 0 | 0 | 111.4 | D241 R262 Q298 | D241-D244 PolarHBondContact O-N 2.86Å; D241-D244 VanDerWaalsContact O-N 3.13Å; D244-R262 IonicContact OD1-CZ 3.46Å; D244-R262 IonicContact OD1-NH1 3.02Å; D244-R262 IonicContact OD1-NH2 3.5Å; D244-R262 PolarHBondContact OD1-NH2 2.82Å; D244-Q298 WeakPolarHBondContact O-CG 3.4Å; D244-Q298 PolarHBondContact O-OE1 3.03Å |
| 245 | Y | 76.6 | Confident | 79.6 | Confident | 52 Ų | 52 | 57 Ų | 57 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -108.9 | 1.1 | -174.5 | -63.7 | -92.8 | 0 | 0 | 0 | 114.3 | L240 D241 Q298 Q299 C353 | L240-Y245 HydrophobicContact CB-CD2 4.31Å; L240-Y245 HydrophobicContact CB-CG 4.28Å; L240-Y245 HydrophobicContact CD1-CD1 4.5Å; L240-Y245 HydrophobicContact CD1-CG 4.4Å; L240-Y245 HydrophobicContact CD2-CD1 4.07Å; L240-Y245 HydrophobicContact CD2-CD2 3.97Å; L240-Y245 HydrophobicContact CD2-CE1 4.19Å; L240-Y245 HydrophobicContact CD2-CE2 4.1Å; L240-Y245 HydrophobicContact CD2-CG 3.96Å; L240-Y245 HydrophobicContact CG-CG 4.43Å; D241-Y245 PolarHBondContact O-N 2.9Å; Y245-Q298 HydrophobicContact CD1-CB 3.79Å; Y245-Q298 HydrophobicContact CE1-CB 4.18Å; Y245-Q298 HydrophobicContact CG-CB 4.46Å; Y245-Q299 WeakPolarHBondContact CE1-O 3.49Å; Y245-C353 WeakPolarHBondContact O-CB 3.34Å |
| 246 | G | 80 | Confident | 79.3 | Confident | 5 Ų | 5 | 62 Ų | 62 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -112 | -171.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L242 | L242-G246 CarbonylContact O-C 3.57Å; L242-G246 WeakPolarHBondContact O-CA 3.46Å; L242-G246 PolarHBondContact O-N 3.44Å |
| 247 | A | 83.5 | Confident | 79 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 25% | 0.248 | 36% | 0.356 | C | S | . | . | trans | -84.8 | 142.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | G249 C263 C351 | A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 3.36Å; A247-C263 CarbonylContact C-O 3.47Å; A247-C263 WeakPolarHBondContact CA-O 3.47Å; A247-C263 HydrophobicContact CB-CB 4.06Å; A247-C263 VanDerWaalsContact CB-O 3.3Å; A247-C263 WeakPolarHBondContact CB-O 3.2Å; A247-C351 HydrophobicContact CB-CB 4.29Å; A247-C351 WeakPolarHBondContact CB-O 3.26Å | ||
| 248 | Q | 83.1 | Confident | 78.9 | Confident | 105 Ų | 105 | 66.3 Ų | 66.3 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | trans | -83.8 | 6.4 | -177.7 | 69 | 171.1 | 55.8 | 0 | 0 | 114.7 | C263 C264 | Q248-C263 PolarHBondContact N-O 3.38Å; Q248-C264 HydrophobicContact CG-CB 3.51Å | ||
| 249 | G | 83.7 | Confident | 78.5 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 38% | 0.381 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 85.5 | -133.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A247 C264 R265 | A247-G249 VanDerWaalsContact C-N 3.28Å; A247-G249 PolarHBondContact O-N 3.36Å; G249-C264 CarbonylContact O-C 3.58Å; G249-C264 VanDerWaalsContact O-CA 3.24Å; G249-C264 WeakPolarHBondContact O-CA 3.06Å; G249-R265 PolarHBondContact O-N 2.8Å |
| 250 | D | 84.3 | Confident | 78.4 | Confident | 68 Ų | 68 | 74 Ų | 74 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -77.3 | 142.9 | -179.9 | -64.6 | -20 | 0 | 0 | 0 | 110.9 | R72 R265 | R72-D250 IonicContact NH2-OD2 3.98Å; D250-R265 CarbonylContact C-O 3.54Å; D250-R265 WeakPolarHBondContact CA-O 3.46Å; D250-R265 VanDerWaalsContact CG-NH2 3.3Å; D250-R265 IonicContact OD1-CZ 3.26Å; D250-R265 IonicContact OD1-NE 2.82Å; D250-R265 PolarHBondContact OD1-NE 2.92Å; D250-R265 IonicContact OD1-NH2 3Å; D250-R265 PolarHBondContact OD1-NH2 3.34Å; D250-R265 IonicContact OD2-NH2 3.76Å; D250-R265 PolarHBondContact OD2-NH2 2.61Å |
| 251 | C | 85.8 | Confident | 78.8 | Confident | 22 Ų | 22 | 75 Ų | 75 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 152 | 175.3 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | P253 C264 R265 Q266 V294 | C251-P253 WeakPolarHBondContact O-CD 3.47Å; C251-C264 VanDerWaalsContact CA-SG 3.59Å; C251-C264 HydrophobicContact CB-CB 3.96Å; C251-C264 WeakPolarHBondContact CB-SG 3.47Å; C251-C264 WeakPolarHBondContact SG-CB 3.5Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 2.68Å; C251-R265 PolarHBondContact N-O 3.29Å; C251-Q266 PolarHBondContact SG-N 3.22Å; C251-V294 VanDerWaalsContact SG-CG2 3.53Å |
| 252 | D | 81.2 | Confident | 79.3 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 119 | 168.9 | -173.5 | -15.2 | 0 | 0 | 0 | 109 | E254 A255 | D252-E254 PolarHBondContact O-N 2.92Å; D252-E254 PolarHBondContact OD1-N 3.44Å; D252-A255 HydrophobicContact CB-CB 4.06Å; D252-A255 PolarHBondContact O-N 2.88Å |
| 253 | P | 75.3 | Confident | 80 | Confident | 123 Ų | 123 | 73.6 Ų | 73.6 | 80% | 0.799 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.9 | -177.9 | 27.6 | -35.7 | 0 | 0 | 0 | 113.5 | C251 | C251-P253 WeakPolarHBondContact O-CD 3.47Š|
| 254 | E | 76.1 | Confident | 80.6 | Confident | 179 Ų | 179 | 68.7 Ų | 68.7 | 84% | 0.836 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -15.7 | -179.4 | -60.7 | -172.9 | 177 | 0 | 0 | 112.7 | D252 | D252-E254 PolarHBondContact O-N 2.92Å; D252-E254 PolarHBondContact OD1-N 3.44Å |
| 255 | A | 77.2 | Confident | 81.3 | Confident | 53 Ų | 53 | 66 Ų | 66 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -98 | 128.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D252 | D252-A255 HydrophobicContact CB-CB 4.06Å; D252-A255 PolarHBondContact O-N 2.88Å |
| 256 | P | 78.2 | Confident | 81.7 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 68% | 0.682 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 138.9 | 175.1 | 26.7 | -32.4 | 0 | 0 | 0 | 110.9 | T258 | P256-T258 PolarHBondContact O-N 3.48Š|
| 257 | V | 78.7 | Confident | 81.8 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 38% | 0.376 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 118 | 172 | -176 | 0 | 0 | 0 | 0 | 108.1 | T261 V294 | V257-T261 HydrophobicContact CG1-CG2 4.34Å; V257-V294 HydrophobicContact CG1-CB 4.28Å; V257-V294 HydrophobicContact CG1-CG2 4.12Å; V257-V294 HydrophobicContact CG2-CG2 3.96Å |
| 258 | T | 80.4 | Confident | 81.7 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 52% | 0.515 | 42% | 0.417 | S | S | . | . | trans | -121.8 | 172.6 | 178.8 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | P256 G260 T261 | P256-T258 PolarHBondContact O-N 3.48Å; T258-G260 PolarHBondContact O-N 2.82Å; T258-G260 VanDerWaalsContact O-N 3.09Å; T258-T261 PolarHBondContact N-OG1 2.88Å; T258-T261 WeakPolarHBondContact O-CB 2.98Å; T258-T261 PolarHBondContact O-N 3.2Å; T258-T261 PolarHBondContact O-OG1 3.12Å; T258-T261 PolarHBondContact OG1-OG1 3.37Å | ||
| 259 | E | 69.6 | Low | 81.7 | Confident | 181 Ų | 181 | 75 Ų | 75 | 85% | 0.846 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.6 | 178.9 | -65.5 | -176 | 165 | 0 | 0 | 113.4 | T296 | E259-T296 PolarHBondContact O-OG1 3.05Å; E259-T296 VanDerWaalsContact O-OG1 3.11Å |
| 260 | G | 74.5 | Confident | 81.7 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 67% | 0.67 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T258 R262 | T258-G260 PolarHBondContact O-N 2.82Å; T258-G260 VanDerWaalsContact O-N 3.09Å; G260-R262 PolarHBondContact O-N 2.91Å |
| 261 | T | 83.9 | Confident | 81.6 | Confident | 28 Ų | 28 | 74 Ų | 74 | 17% | 0.172 | 40% | 0.403 | C | S | . | . | trans | -70 | 121.2 | -179.7 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | V257 T258 G295 T296 | V257-T261 HydrophobicContact CG1-CG2 4.34Å; T258-T261 PolarHBondContact N-OG1 2.88Å; T258-T261 WeakPolarHBondContact O-CB 2.98Å; T258-T261 PolarHBondContact O-N 3.2Å; T258-T261 PolarHBondContact O-OG1 3.12Å; T258-T261 PolarHBondContact OG1-OG1 3.37Å; T261-G295 CarbonylContact O-C 3.47Å; T261-G295 VanDerWaalsContact O-CA 3.28Å; T261-G295 WeakPolarHBondContact O-CA 3.31Å; T261-T296 PolarHBondContact O-N 3.34Å | ||
| 262 | R | 87.4 | Confident | 81.4 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 32% | 0.321 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -63.4 | 144.4 | 174.2 | -68.6 | -178 | 171.3 | -174.6 | -6.3 | 109.8 | R243 D244 G260 C264 | R243-R262 PolarHBondContact O-NH1 2.95Å; D244-R262 IonicContact OD1-CZ 3.46Å; D244-R262 IonicContact OD1-NH1 3.02Å; D244-R262 IonicContact OD1-NH2 3.5Å; D244-R262 PolarHBondContact OD1-NH2 2.82Å; G260-R262 PolarHBondContact O-N 2.91Å; R262-C264 PolarHBondContact O-N 3.1Å; R262-C264 VanDerWaalsContact O-N 3.12Å |
| 263 | C | 91.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -42.6 | 118.2 | 178.6 | 177.6 | 0 | 0 | 0 | 0 | 112 | A247 Q248 V294 T296 C316 | A247-C263 CarbonylContact C-O 3.47Å; A247-C263 WeakPolarHBondContact CA-O 3.47Å; A247-C263 HydrophobicContact CB-CB 4.06Å; A247-C263 VanDerWaalsContact CB-O 3.3Å; A247-C263 WeakPolarHBondContact CB-O 3.2Å; Q248-C263 PolarHBondContact N-O 3.38Å; C263-V294 CarbonylContact C-O 3.55Å; C263-V294 VanDerWaalsContact CA-O 3.31Å; C263-V294 WeakPolarHBondContact CA-O 3.49Å; C263-T296 PolarHBondContact N-O 2.85Å; C263-C316 VanDerWaalsContact CA-SG 3.52Å; C263-C316 HydrophobicContact CB-CB 3.66Å; C263-C316 WeakPolarHBondContact CB-SG 3.25Å; C263-C316 VanDerWaalsContact SG-CA 3.54Å; C263-C316 WeakPolarHBondContact SG-CB 3.32Å; C263-C316 CovalentContact SG-SG 2.03Å; C263-C316 PolarHBondContact SG-SG 3.37Å |
| 264 | C | 88.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 161.3 | -176.7 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | Q248 G249 C251 R262 C293 V294 | Q248-C264 HydrophobicContact CG-CB 3.51Å; G249-C264 CarbonylContact O-C 3.58Å; G249-C264 VanDerWaalsContact O-CA 3.24Å; G249-C264 WeakPolarHBondContact O-CA 3.06Å; C251-C264 VanDerWaalsContact CA-SG 3.59Å; C251-C264 HydrophobicContact CB-CB 3.96Å; C251-C264 WeakPolarHBondContact CB-SG 3.47Å; C251-C264 WeakPolarHBondContact SG-CB 3.5Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 2.68Å; R262-C264 PolarHBondContact O-N 3.1Å; R262-C264 VanDerWaalsContact O-N 3.12Å; C264-C293 WeakPolarHBondContact O-CA 3.49Å; C264-V294 PolarHBondContact N-O 2.69Å; C264-V294 PolarHBondContact O-N 2.95Å |
| 265 | R | 88.2 | Confident | 81.9 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 5% | 0.045 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112.6 | 178.1 | -171.2 | 176.3 | 64 | 142.2 | 8.3 | 109.3 | G249 D250 C251 Y291 E292 V348 Q349 C351 | G249-R265 PolarHBondContact O-N 2.8Å; D250-R265 CarbonylContact C-O 3.54Å; D250-R265 WeakPolarHBondContact CA-O 3.46Å; D250-R265 VanDerWaalsContact CG-NH2 3.3Å; D250-R265 IonicContact OD1-CZ 3.26Å; D250-R265 IonicContact OD1-NE 2.82Å; D250-R265 PolarHBondContact OD1-NE 2.92Å; D250-R265 IonicContact OD1-NH2 3Å; D250-R265 PolarHBondContact OD1-NH2 3.34Å; D250-R265 IonicContact OD2-NH2 3.76Å; D250-R265 PolarHBondContact OD2-NH2 2.61Å; C251-R265 PolarHBondContact N-O 3.29Å; R265-Y291 HydrophobicContact CG-CD1 3.92Å; R265-Y291 HydrophobicContact CG-CG 4.16Å; R265-E292 CarbonylContact C-O 3.6Å; R265-E292 VanDerWaalsContact CA-O 3.32Å; R265-E292 WeakPolarHBondContact CA-O 3.49Å; R265-V348 WeakPolarHBondContact CD-O 3.45Å; R265-V348 HydrophobicContact CG-CG1 4.23Å; R265-V348 PolarHBondContact NH1-O 2.92Å; R265-Q349 PolarHBondContact NH1-O 2.87Å; R265-C351 VanDerWaalsContact CB-SG 3.55Å |
| 266 | Q | 84.6 | Confident | 82.3 | Confident | 76 Ų | 76 | 73 Ų | 73 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 142.1 | 178.1 | -169.8 | 169.6 | 13.5 | 0 | 0 | 110.5 | C251 M268 Y291 E292 V294 | C251-Q266 PolarHBondContact SG-N 3.22Å; Q266-M268 PolarHBondContact O-N 2.85Å; Q266-Y291 CarbonylContact O-C 3.56Å; Q266-Y291 WeakPolarHBondContact O-CA 3.24Å; Q266-Y291 WeakPolarHBondContact O-CB 3.05Å; Q266-E292 PolarHBondContact N-O 2.95Å; Q266-E292 PolarHBondContact O-N 2.99Å; Q266-V294 HydrophobicContact CB-CG1 4.31Å; Q266-V294 HydrophobicContact CB-CG2 3.86Å |
| 267 | E | 82.6 | Confident | 82.6 | Confident | 131 Ų | 131 | 70.1 Ų | 70.1 | 61% | 0.612 | 36% | 0.362 | S | S | * | . | trans | -70.3 | 128.3 | 173.3 | -69 | -170.6 | 171.8 | 0 | 0 | 110.6 | Y291 | E267-Y291 HydrophobicContact CG-CD1 3.98Å; E267-Y291 HydrophobicContact CG-CE1 3.62Å | ||
| 268 | M | 82.4 | Confident | 82.9 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 22% | 0.222 | 35% | 0.346 | C | S | . | . | trans | -135.9 | 121.2 | 175.1 | -179.7 | -170.1 | -72.6 | 0 | 0 | 108.1 | A21 Q266 L289 A290 Y291 E292 | A21-M268 HydrophobicContact CB-CE 3.77Å; Q266-M268 PolarHBondContact O-N 2.85Å; M268-L289 CarbonylContact O-C 3.48Å; M268-L289 WeakPolarHBondContact O-CA 3.17Å; M268-A290 PolarHBondContact O-N 2.84Å; M268-Y291 PolarHBondContact O-N 3.24Å; M268-E292 HydrophobicContact CE-CB 3.8Å; M268-E292 HydrophobicContact CE-CG 4.33Å; M268-E292 WeakPolarHBondContact CE-OE2 3.47Å | ||
| 269 | Y | 82.8 | Confident | 82.8 | Confident | 131 Ų | 131 | 67.6 Ų | 67.6 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.9 | 176.9 | -175.5 | -101.3 | 0 | 0 | 0 | 110.3 | D271 G287 F288 L289 | Y269-D271 HydrophobicContact CD1-CB 4.27Å; Y269-D271 HydrophobicContact CE1-CB 3.82Å; Y269-G287 WeakPolarHBondContact OH-CA 3.01Å; Y269-F288 WeakPolarHBondContact CD2-O 3.41Å; Y269-L289 HydrophobicContact CD2-CD2 4Å; Y269-L289 HydrophobicContact CD2-CG 4.32Å |
| 270 | I | 82.5 | Confident | 83.2 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 112.6 | 173.9 | -60.9 | -175.8 | 0 | 0 | 0 | 107.6 | M22 L272 M275 G287 F288 A290 | M22-I270 HydrophobicContact CB-CD1 4.35Å; I270-L272 HydrophobicContact CG2-CD2 3.93Å; I270-M275 HydrophobicContact CG2-CE 3.43Å; I270-M275 VanDerWaalsContact CG2-CE 3.43Å; I270-G287 CarbonylContact O-C 3.52Å; I270-G287 WeakPolarHBondContact O-CA 3.49Å; I270-F288 HydrophobicContact CB-CD1 4.31Å; I270-F288 HydrophobicContact CB-CE1 3.91Å; I270-F288 HydrophobicContact CB-CZ 4.16Å; I270-F288 HydrophobicContact CD1-CE1 4.33Å; I270-F288 HydrophobicContact CD1-CE2 4.31Å; I270-F288 HydrophobicContact CD1-CZ 3.77Å; I270-F288 HydrophobicContact CG1-CZ 4.39Å; I270-F288 HydrophobicContact CG2-CE1 4.02Å; I270-F288 HydrophobicContact CG2-CZ 4.48Å; I270-F288 PolarHBondContact N-O 2.88Å; I270-F288 PolarHBondContact O-N 3.05Å; I270-A290 HydrophobicContact CD1-CB 3.66Å; I270-A290 HydrophobicContact CG1-CB 4.03Å |
| 271 | D | 82.1 | Confident | 83.7 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111 | 174.2 | -179.2 | 14.9 | 0 | 0 | 0 | 110 | Y269 Q273 G274 M275 | Y269-D271 HydrophobicContact CD1-CB 4.27Å; Y269-D271 HydrophobicContact CE1-CB 3.82Å; D271-Q273 PolarHBondContact OD1-N 3.46Å; D271-Q273 VanDerWaalsContact OD1-N 3.13Å; D271-G274 PolarHBondContact OD1-N 3.46Å; D271-G274 PolarHBondContact OD2-N 2.89Å; D271-M275 WeakPolarHBondContact O-CE 3.44Å; D271-M275 WeakPolarHBondContact O-CG 3.44Å |
| 272 | L | 82.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -85 | -30 | 179.6 | -59.2 | 172.9 | 0 | 0 | 0 | 111.4 | L27 I270 G274 M275 W277 A278 V282 P285 P286 F288 M326 | L27-L272 HydrophobicContact CD2-CD2 3.23Å; L27-L272 HydrophobicContact CD2-CG 4.48Å; I270-L272 HydrophobicContact CG2-CD2 3.93Å; L272-G274 VanDerWaalsContact C-N 3.26Å; L272-G274 PolarHBondContact O-N 2.77Å; L272-M275 HydrophobicContact CD2-CE 4.24Å; L272-M275 HydrophobicContact CD2-SD 4.15Å; L272-M275 WeakPolarHBondContact O-CB 3.45Å; L272-M275 PolarHBondContact O-N 2.82Å; L272-W277 HydrophobicContact CD2-CZ2 4.46Å; L272-A278 HydrophobicContact CB-CB 4.34Å; L272-A278 WeakPolarHBondContact O-CB 3.46Å; L272-V282 HydrophobicContact CD1-CG1 4.28Å; L272-P285 HydrophobicContact CD1-CG 4.46Å; L272-P285 WeakPolarHBondContact CD1-O 3.45Å; L272-P286 WeakPolarHBondContact CA-O 3.39Å; L272-P286 WeakPolarHBondContact CB-O 3.48Å; L272-P286 PolarHBondContact N-O 3.45Å; L272-F288 HydrophobicContact CD1-CD1 4.13Å; L272-F288 HydrophobicContact CD1-CE1 4.25Å; L272-F288 HydrophobicContact CD2-CE1 4.46Å; L272-M326 HydrophobicContact CD1-CE 3.78Å |
| 273 | Q | 79.4 | Confident | 83.8 | Confident | 145 Ų | 145 | 56.5 Ų | 56.5 | 68% | 0.678 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -33.3 | 176.1 | -70.8 | -173.8 | -25.4 | 0 | 0 | 112 | D271 M275 P286 | D271-Q273 PolarHBondContact OD1-N 3.46Å; D271-Q273 VanDerWaalsContact OD1-N 3.13Å; Q273-M275 PolarHBondContact O-N 2.79Å; Q273-P286 VanDerWaalsContact CD-CB 3.43Å; Q273-P286 HydrophobicContact CG-CB 3.68Å; Q273-P286 PolarHBondContact N-O 2.8Å; Q273-P286 VanDerWaalsContact N-O 3.1Å; Q273-P286 VanDerWaalsContact NE2-CB 3.34Å |
| 274 | G | 78.4 | Confident | 83.6 | Confident | 58 Ų | 58 | 60 Ų | 60 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D271 L272 | D271-G274 PolarHBondContact OD1-N 3.46Å; D271-G274 PolarHBondContact OD2-N 2.89Å; L272-G274 VanDerWaalsContact C-N 3.26Å; L272-G274 PolarHBondContact O-N 2.77Å |
| 275 | M | 84.9 | Confident | 83.6 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | trans | -95.6 | 124.2 | -176.2 | -59.6 | -171.4 | -167.7 | 0 | 0 | 112.5 | 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 3.44Å; D271-M275 WeakPolarHBondContact O-CG 3.44Å; L272-M275 HydrophobicContact CD2-CE 4.24Å; L272-M275 HydrophobicContact CD2-SD 4.15Å; L272-M275 WeakPolarHBondContact O-CB 3.45Å; L272-M275 PolarHBondContact O-N 2.82Å; Q273-M275 PolarHBondContact O-N 2.79Å; M275-W277 PolarHBondContact O-N 2.79Å; M275-W277 VanDerWaalsContact O-N 3.15Å; M275-W277 HydrophobicContact SD-CZ2 3.74Å; M275-W277 PolarHBondContact SD-NE1 2.9Å; M275-A278 HydrophobicContact CB-CB 4.1Å; M275-A278 PolarHBondContact O-N 3.31Å; M275-A278 VanDerWaalsContact O-N 3.1Å; M275-D279 PolarHBondContact O-N 2.95Å | ||
| 276 | K | 85.1 | Confident | 83.3 | Confident | 203 Ų | 203 | 62.5 Ų | 62.5 | 88% | 0.883 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.6 | -179 | -65.5 | -175 | 179.7 | 179.7 | 0 | 114.8 | ||
| 277 | W | 86.4 | Confident | 83.2 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 17% | 0.167 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -26.2 | -178.8 | 66.6 | -99.1 | 0 | 0 | 0 | 112.6 | L27 L28 V40 L272 M275 W281 V282 | L27-W277 HydrophobicContact CD2-CH2 3.91Å; L27-W277 HydrophobicContact CD2-CZ2 4Å; L27-W277 HydrophobicContact CG-CH2 4.37Å; L28-W277 HydrophobicContact CB-CD2 4.13Å; L28-W277 HydrophobicContact CB-CE3 4.39Å; L28-W277 HydrophobicContact CB-CH2 4.28Å; L28-W277 HydrophobicContact CB-CZ2 4Å; L28-W277 HydrophobicContact CB-CZ3 4.47Å; L28-W277 HydrophobicContact CD1-CD2 3.92Å; L28-W277 HydrophobicContact CD1-CE3 3.64Å; L28-W277 HydrophobicContact CD1-CG 4.39Å; L28-W277 HydrophobicContact CD1-CZ3 4.07Å; L28-W277 HydrophobicContact CD2-CB 4.41Å; L28-W277 HydrophobicContact CD2-CD2 4.28Å; L28-W277 HydrophobicContact CD2-CG 4.08Å; L28-W277 HydrophobicContact CG-CD2 4.33Å; L28-W277 HydrophobicContact CG-CE3 4.48Å; V40-W277 HydrophobicContact CG2-CB 4.34Å; L272-W277 HydrophobicContact CD2-CZ2 4.46Å; M275-W277 PolarHBondContact O-N 2.79Å; M275-W277 VanDerWaalsContact O-N 3.15Å; M275-W277 HydrophobicContact SD-CZ2 3.74Å; M275-W277 PolarHBondContact SD-NE1 2.9Å; W277-W281 AromaticContact CE3-CE3 3.67Å; W277-W281 HydrophobicContact CE3-CE3 3.67Å; W277-W281 AromaticContact CE3-CZ3 3.66Å; W277-W281 HydrophobicContact CE3-CZ3 3.66Å; W277-W281 AromaticContact CZ3-CE3 3.87Å; W277-W281 HydrophobicContact CZ3-CE3 3.87Å; W277-W281 AromaticContact CZ3-CZ3 3.77Å; W277-W281 HydrophobicContact CZ3-CZ3 3.77Å; W277-V282 HydrophobicContact CZ3-CG2 4.1Å |
| 278 | A | 83.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -24.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L272 M275 N280 W281 V282 | L272-A278 HydrophobicContact CB-CB 4.34Å; L272-A278 WeakPolarHBondContact O-CB 3.46Å; M275-A278 HydrophobicContact CB-CB 4.1Å; M275-A278 PolarHBondContact O-N 3.31Å; M275-A278 VanDerWaalsContact O-N 3.1Å; A278-N280 PolarHBondContact O-N 3.37Å; A278-W281 PolarHBondContact O-N 2.9Å; A278-W281 VanDerWaalsContact O-N 3.1Å; A278-V282 HydrophobicContact CB-CB 4.2Å; A278-V282 HydrophobicContact CB-CG2 3.85Å; A278-V282 PolarHBondContact O-N 3.03Å |
| 279 | D | 78.8 | Confident | 83.3 | Confident | 90 Ų | 90 | 55.1 Ų | 55.1 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 127.8 | 169.5 | -174.7 | 30.5 | 0 | 0 | 0 | 109.4 | M275 W281 | M275-D279 PolarHBondContact O-N 2.95Å; D279-W281 PolarHBondContact O-N 2.84Å |
| 280 | N | 77.1 | Confident | 83.3 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 32% | 0.316 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -13.7 | 177.1 | -64.3 | -45.4 | 0 | 0 | 0 | 116.8 | P43 M48 A278 S329 | P43-N280 HydrophobicContact CG-CB 3.76Å; P43-N280 WeakPolarHBondContact CG-O 3.43Å; M48-N280 HydrophobicContact CE-CB 3.38Å; M48-N280 WeakPolarHBondContact CE-OD1 3.49Å; M48-N280 HydrophobicContact SD-CB 3.34Å; M48-N280 WeakPolarHBondContact SD-CB 3.34Å; M48-N280 VanDerWaalsContact SD-O 3.37Å; A278-N280 PolarHBondContact O-N 3.37Å; N280-S329 PolarHBondContact O-OG 3.02Å |
| 281 | W | 85.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -41 | 179.7 | -177.1 | 34 | 0 | 0 | 0 | 113.2 | L28 L31 L32 L35 L37 V40 P41 W277 A278 D279 V328 S329 | L28-W281 HydrophobicContact CD1-CH2 4.32Å; L28-W281 HydrophobicContact CD1-CZ3 3.73Å; L31-W281 HydrophobicContact CD2-CE3 4.29Å; L31-W281 HydrophobicContact CD2-CH2 3.03Å; L31-W281 HydrophobicContact CD2-CZ2 3.26Å; L31-W281 HydrophobicContact CD2-CZ3 3.58Å; L31-W281 HydrophobicContact CG-CH2 4.5Å; L32-W281 HydrophobicContact CD2-CH2 3.8Å; L32-W281 HydrophobicContact CG-CH2 4.37Å; L35-W281 HydrophobicContact CD1-CZ2 3.96Å; L37-W281 HydrophobicContact CD1-CZ2 4.12Å; V40-W281 HydrophobicContact CB-CZ3 4.29Å; V40-W281 HydrophobicContact CG1-CD2 4.14Å; V40-W281 HydrophobicContact CG1-CE3 3.61Å; V40-W281 HydrophobicContact CG1-CZ3 3.84Å; V40-W281 HydrophobicContact CG2-CE3 4.43Å; V40-W281 HydrophobicContact CG2-CH2 4.43Å; V40-W281 HydrophobicContact CG2-CZ3 3.86Å; P41-W281 VanDerWaalsContact CD-CE2 3.48Å; P41-W281 VanDerWaalsContact CD-CZ2 3.41Å; P41-W281 HydrophobicContact CG-CZ2 4.04Å; W277-W281 AromaticContact CE3-CE3 3.67Å; W277-W281 HydrophobicContact CE3-CE3 3.67Å; W277-W281 AromaticContact CE3-CZ3 3.66Å; W277-W281 HydrophobicContact CE3-CZ3 3.66Å; W277-W281 AromaticContact CZ3-CE3 3.87Å; W277-W281 HydrophobicContact CZ3-CE3 3.87Å; W277-W281 AromaticContact CZ3-CZ3 3.77Å; W277-W281 HydrophobicContact CZ3-CZ3 3.77Å; A278-W281 PolarHBondContact O-N 2.9Å; A278-W281 VanDerWaalsContact O-N 3.1Å; D279-W281 PolarHBondContact O-N 2.84Å; W281-V328 CarbonylContact O-C 3.45Å; W281-V328 VanDerWaalsContact O-CA 3.3Å; W281-V328 WeakPolarHBondContact O-CA 3.47Å; W281-S329 PolarHBondContact NE1-O 2.91Å; W281-S329 PolarHBondContact O-N 2.76Å; W281-S329 PolarHBondContact O-OG 2.76Å |
| 282 | V | 87.3 | Confident | 83.7 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.2 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | L272 W277 A278 M326 V328 | L272-V282 HydrophobicContact CD1-CG1 4.28Å; W277-V282 HydrophobicContact CZ3-CG2 4.1Å; A278-V282 HydrophobicContact CB-CB 4.2Å; A278-V282 HydrophobicContact CB-CG2 3.85Å; A278-V282 PolarHBondContact O-N 3.03Å; V282-M326 HydrophobicContact CB-CE 4.4Å; V282-M326 HydrophobicContact CG1-CE 3.53Å; V282-M326 HydrophobicContact CG2-CE 3.89Å; V282-V328 HydrophobicContact CG2-CG1 4.35Å |
| 283 | L | 86.3 | Confident | 84.1 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -39.4 | 179.4 | -54.8 | 178.1 | 0 | 0 | 0 | 111.6 | L51 I53 I327 P338 | L51-L283 HydrophobicContact CD2-CD1 3.64Å; L51-L283 HydrophobicContact CD2-CD2 3.96Å; L51-L283 HydrophobicContact CD2-CG 4.42Å; I53-L283 HydrophobicContact CD1-CB 4.2Å; I53-L283 HydrophobicContact CD1-CD1 4.48Å; I53-L283 HydrophobicContact CG1-CD1 4.21Å; L283-I327 HydrophobicContact CB-CB 4.36Å; L283-I327 HydrophobicContact CB-CG2 4.22Å; L283-I327 HydrophobicContact CD1-CG2 4.11Å; L283-I327 PolarHBondContact N-O 2.97Å; L283-P338 HydrophobicContact CD1-CB 3.8Å |
| 284 | E | 85.8 | Confident | 84.6 | Confident | 73 Ų | 73 | 43.2 Ų | 43.2 | 34% | 0.341 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 146.3 | 178.1 | -68.9 | -69.2 | 179.1 | 0 | 0 | 111 | I53 Y61 P286 M326 I327 | I53-E284 HydrophobicContact CD1-CG 4.09Å; Y61-E284 HydrophobicContact CE1-CB 4.37Å; Y61-E284 HydrophobicContact CE2-CB 4.39Å; E284-P286 WeakPolarHBondContact OE2-CD 3.49Å; E284-M326 CarbonylContact O-C 3.55Å; E284-M326 VanDerWaalsContact O-CA 3.24Å; E284-M326 WeakPolarHBondContact O-CA 3.49Å; E284-I327 HydrophobicContact CB-CB 4.02Å; E284-I327 HydrophobicContact CB-CD1 4.02Å; E284-I327 HydrophobicContact CB-CG1 3.98Å; E284-I327 HydrophobicContact CG-CD1 4.07Å; E284-I327 PolarHBondContact N-O 3Å; E284-I327 PolarHBondContact O-N 2.82Å |
| 285 | P | 89.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | cis | -77.5 | 163.8 | -11.9 | 34 | -34.1 | 0 | 0 | 0 | 111.9 | L272 G287 F288 L324 | L272-P285 HydrophobicContact CD1-CG 4.46Å; L272-P285 WeakPolarHBondContact CD1-O 3.45Å; P285-G287 PolarHBondContact O-N 3.46Å; P285-F288 HydrophobicContact CG-CB 4.48Å; P285-L324 HydrophobicContact CG-CD1 4.44Å | ||
| 286 | P | 82.4 | Confident | 85.3 | Confident | 52 Ų | 52 | 43.6 Ų | 43.6 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -68.4 | -22.5 | 172.4 | 28.5 | -36.6 | 0 | 0 | 0 | 113.4 | L272 Q273 E284 | L272-P286 WeakPolarHBondContact CA-O 3.39Å; L272-P286 WeakPolarHBondContact CB-O 3.48Å; L272-P286 PolarHBondContact N-O 3.45Å; Q273-P286 VanDerWaalsContact CD-CB 3.43Å; Q273-P286 HydrophobicContact CG-CB 3.68Å; Q273-P286 PolarHBondContact N-O 2.8Å; Q273-P286 VanDerWaalsContact N-O 3.1Å; Q273-P286 VanDerWaalsContact NE2-CB 3.34Å; E284-P286 WeakPolarHBondContact OE2-CD 3.49Å |
| 287 | G | 82.5 | Confident | 85.4 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 169.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y269 I270 P285 | Y269-G287 WeakPolarHBondContact OH-CA 3.01Å; I270-G287 CarbonylContact O-C 3.52Å; I270-G287 WeakPolarHBondContact O-CA 3.49Å; P285-G287 PolarHBondContact O-N 3.46Å |
| 288 | F | 83.6 | Confident | 85.4 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 158.8 | -175.9 | 69.9 | -79.7 | 0 | 0 | 0 | 113.1 | L27 Y269 I270 L272 P285 A290 L324 | L27-F288 HydrophobicContact CD1-CE1 4.33Å; L27-F288 HydrophobicContact CD1-CZ 4.1Å; L27-F288 HydrophobicContact CD2-CE1 4.28Å; Y269-F288 WeakPolarHBondContact CD2-O 3.41Å; I270-F288 HydrophobicContact CB-CD1 4.31Å; I270-F288 HydrophobicContact CB-CE1 3.91Å; I270-F288 HydrophobicContact CB-CZ 4.16Å; I270-F288 HydrophobicContact CD1-CE1 4.33Å; I270-F288 HydrophobicContact CD1-CE2 4.31Å; I270-F288 HydrophobicContact CD1-CZ 3.77Å; I270-F288 HydrophobicContact CG1-CZ 4.39Å; I270-F288 HydrophobicContact CG2-CE1 4.02Å; I270-F288 HydrophobicContact CG2-CZ 4.48Å; I270-F288 PolarHBondContact N-O 2.88Å; I270-F288 PolarHBondContact O-N 3.05Å; L272-F288 HydrophobicContact CD1-CD1 4.13Å; L272-F288 HydrophobicContact CD1-CE1 4.25Å; L272-F288 HydrophobicContact CD2-CE1 4.46Å; P285-F288 HydrophobicContact CG-CB 4.48Å; F288-A290 HydrophobicContact CD2-CB 4.28Å; F288-A290 HydrophobicContact CE2-CB 3.66Å; F288-A290 HydrophobicContact CZ-CB 4.37Å; F288-A290 PolarHBondContact O-N 2.82Å; F288-L324 HydrophobicContact CB-CD1 4.22Å; F288-L324 HydrophobicContact CD1-CD1 4.39Å; F288-L324 HydrophobicContact CD1-CD2 3.63Å; F288-L324 HydrophobicContact CD2-CD1 4.09Å; F288-L324 HydrophobicContact CD2-CD2 4.01Å; F288-L324 HydrophobicContact CE1-CD2 3.41Å; F288-L324 VanDerWaalsContact CE1-CD2 3.41Å; F288-L324 HydrophobicContact CE2-CD2 3.8Å; F288-L324 HydrophobicContact CG-CD1 3.98Å; F288-L324 HydrophobicContact CG-CD2 3.93Å; F288-L324 HydrophobicContact CZ-CD2 3.5Å |
| 289 | L | 82.3 | Confident | 85.4 | Confident | 66 Ų | 66 | 40.3 Ų | 40.3 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 110.6 | 170.8 | -67 | 169.2 | 0 | 0 | 0 | 109.8 | M268 Y269 Y291 R347 | M268-L289 CarbonylContact O-C 3.48Å; M268-L289 WeakPolarHBondContact O-CA 3.17Å; Y269-L289 HydrophobicContact CD2-CD2 4Å; Y269-L289 HydrophobicContact CD2-CG 4.32Å; L289-Y291 HydrophobicContact CB-CD2 4.05Å; L289-Y291 HydrophobicContact CB-CE2 3.52Å; L289-Y291 HydrophobicContact CD1-CE2 4.39Å; L289-R347 WeakPolarHBondContact O-CD 3.33Å; L289-R347 VanDerWaalsContact O-CG 3.26Å; L289-R347 WeakPolarHBondContact O-CG 3.42Å |
| 290 | A | 83.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | trans | -84.9 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M268 I270 F288 R347 V348 | M268-A290 PolarHBondContact O-N 2.84Å; I270-A290 HydrophobicContact CD1-CB 3.66Å; I270-A290 HydrophobicContact CG1-CB 4.03Å; F288-A290 HydrophobicContact CD2-CB 4.28Å; F288-A290 HydrophobicContact CE2-CB 3.66Å; F288-A290 HydrophobicContact CZ-CB 4.37Å; F288-A290 PolarHBondContact O-N 2.82Å; A290-R347 CarbonylContact O-C 3.57Å; A290-R347 WeakPolarHBondContact O-CA 3.49Å; A290-V348 PolarHBondContact O-N 3.28Å | ||
| 291 | Y | 86.3 | Confident | 84.7 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 12% | 0.122 | 21% | 0.213 | C | C | . | . | trans | 59.8 | 155 | -169.8 | -56.2 | -102.4 | 0 | 0 | 0 | 113.7 | R265 Q266 E267 M268 L289 R347 V348 | R265-Y291 HydrophobicContact CG-CD1 3.92Å; R265-Y291 HydrophobicContact CG-CG 4.16Å; Q266-Y291 CarbonylContact O-C 3.56Å; Q266-Y291 WeakPolarHBondContact O-CA 3.24Å; Q266-Y291 WeakPolarHBondContact O-CB 3.05Å; E267-Y291 HydrophobicContact CG-CD1 3.98Å; E267-Y291 HydrophobicContact CG-CE1 3.62Å; M268-Y291 PolarHBondContact O-N 3.24Å; L289-Y291 HydrophobicContact CB-CD2 4.05Å; L289-Y291 HydrophobicContact CB-CE2 3.52Å; L289-Y291 HydrophobicContact CD1-CE2 4.39Å; Y291-R347 HydrophobicContact CD2-CG 4.09Å; Y291-R347 HydrophobicContact CE2-CG 4.48Å; Y291-V348 WeakPolarHBondContact O-CG2 3.03Å | ||
| 292 | E | 87.5 | Confident | 83.6 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.6 | 177.5 | -177.2 | 174.2 | -158.6 | 0 | 0 | 110.9 | A21 R265 Q266 M268 V294 | A21-E292 WeakPolarHBondContact CA-OE1 3.34Å; A21-E292 WeakPolarHBondContact CB-OE1 3.23Å; A21-E292 PolarHBondContact N-OE1 2.82Å; R265-E292 CarbonylContact C-O 3.6Å; R265-E292 VanDerWaalsContact CA-O 3.32Å; R265-E292 WeakPolarHBondContact CA-O 3.49Å; Q266-E292 PolarHBondContact N-O 2.95Å; Q266-E292 PolarHBondContact O-N 2.99Å; M268-E292 HydrophobicContact CE-CB 3.8Å; M268-E292 HydrophobicContact CE-CG 4.33Å; M268-E292 WeakPolarHBondContact CE-OE2 3.47Å; E292-V294 HydrophobicContact CB-CG1 4.4Å; E292-V294 HydrophobicContact CG-CG1 3.91Å |
| 293 | C | 89.4 | Confident | 82.1 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.6 | 170.6 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | C264 C351 | C264-C293 WeakPolarHBondContact O-CA 3.49Å; C293-C351 WeakPolarHBondContact CA-SG 3.1Å; C293-C351 HydrophobicContact CB-CB 3.84Å; C293-C351 WeakPolarHBondContact CB-SG 3.19Å; C293-C351 VanDerWaalsContact SG-CA 3.52Å; C293-C351 WeakPolarHBondContact SG-CB 3.46Å; C293-C351 CovalentContact SG-SG 2.03Å; C293-C351 PolarHBondContact SG-SG 3.24Å |
| 294 | V | 89.8 | Confident | 80.6 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 165.7 | -177.3 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | C251 V257 C263 C264 Q266 E292 C316 | C251-V294 VanDerWaalsContact SG-CG2 3.53Å; V257-V294 HydrophobicContact CG1-CB 4.28Å; V257-V294 HydrophobicContact CG1-CG2 4.12Å; V257-V294 HydrophobicContact CG2-CG2 3.96Å; C263-V294 CarbonylContact C-O 3.55Å; C263-V294 VanDerWaalsContact CA-O 3.31Å; C263-V294 WeakPolarHBondContact CA-O 3.49Å; C264-V294 PolarHBondContact N-O 2.69Å; C264-V294 PolarHBondContact O-N 2.95Å; Q266-V294 HydrophobicContact CB-CG1 4.31Å; Q266-V294 HydrophobicContact CB-CG2 3.86Å; E292-V294 HydrophobicContact CB-CG1 4.4Å; E292-V294 HydrophobicContact CG-CG1 3.91Å; V294-C316 PolarHBondContact O-SG 2.98Å |
| 295 | G | 89.5 | Confident | 79 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 91.5 | -174.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T261 | T261-G295 CarbonylContact O-C 3.47Å; T261-G295 VanDerWaalsContact O-CA 3.28Å; T261-G295 WeakPolarHBondContact O-CA 3.31Å |
| 296 | T | 89.1 | Confident | 77.2 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -114.4 | 157.3 | -173 | 60.3 | 0 | 0 | 0 | 0 | 112 | E259 T261 C263 | E259-T296 PolarHBondContact O-OG1 3.05Å; E259-T296 VanDerWaalsContact O-OG1 3.11Å; T261-T296 PolarHBondContact O-N 3.34Å; C263-T296 PolarHBondContact N-O 2.85Å |
| 297 | C | 87.7 | Confident | 75.7 | Confident | 12 Ų | 12 | 59 Ų | 59 | 8% | 0.081 | 33% | 0.333 | C | S | . | . | trans | -107 | 129.9 | 176.3 | -70.8 | 0 | 0 | 0 | 0 | 110 | Q299 R314 C316 C353 | C297-Q299 PolarHBondContact O-N 3.49Å; C297-Q299 PolarHBondContact O-NE2 2.88Å; C297-R314 HydrophobicContact CB-CB 4.04Å; C297-C316 PolarHBondContact SG-N 2.77Å; C297-C353 HydrophobicContact CB-CB 3.69Å; C297-C353 WeakPolarHBondContact CB-SG 3.33Å; C297-C353 WeakPolarHBondContact SG-CA 3.47Å; C297-C353 WeakPolarHBondContact SG-CB 3.29Å; C297-C353 CovalentContact SG-SG 2.03Å; C297-C353 PolarHBondContact SG-SG 3.04Å | ||
| 298 | Q | 85.3 | Confident | 74 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 132.4 | 173.2 | -61.1 | -163.7 | -4.7 | 0 | 0 | 109.6 | D244 Y245 | D244-Q298 WeakPolarHBondContact O-CG 3.4Å; D244-Q298 PolarHBondContact O-OE1 3.03Å; Y245-Q298 HydrophobicContact CD1-CB 3.79Å; Y245-Q298 HydrophobicContact CE1-CB 4.18Å; Y245-Q298 HydrophobicContact CG-CB 4.46Å |
| 299 | Q | 83.1 | Confident | 72.5 | Confident | 89 Ų | 89 | 68.4 Ų | 68.4 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 140.2 | 177.9 | -58.6 | -55.5 | -52 | 0 | 0 | 109.7 | Y245 C297 R314 | Y245-Q299 WeakPolarHBondContact CE1-O 3.49Å; C297-Q299 PolarHBondContact O-N 3.49Å; C297-Q299 PolarHBondContact O-NE2 2.88Å; Q299-R314 PolarHBondContact NE2-O 3.31Å |
| 300 | P | 73.6 | Confident | 71.2 | Confident | 33 Ų | 33 | 73.5 Ų | 73.5 | 21% | 0.214 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 154.6 | 177.3 | 25.7 | -33.2 | 0 | 0 | 0 | 111.3 | L240 E302 | L240-P300 HydrophobicContact CD1-CB 4.07Å; L240-P300 HydrophobicContact CD2-CB 4.12Å; P300-E302 PolarHBondContact O-N 3.06Å |
| 301 | P | 69.6 | Low | 70.2 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 40% | 0.396 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 138 | 172.9 | -22.3 | 31.5 | 0 | 0 | 0 | 111.6 | A303 L304 | P301-A303 PolarHBondContact O-N 3.4Å; P301-L304 HydrophobicContact CG-CD1 4.47Å; P301-L304 PolarHBondContact O-N 2.84Å |
| 302 | E | 61.6 | Low | 69.5 | Low | 182 Ų | 182 | 77 Ų | 77 | 85% | 0.85 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -57 | -28 | -173.2 | -140.5 | 170.5 | -172.6 | 0 | 0 | 113.5 | P300 L304 A305 | P300-E302 PolarHBondContact O-N 3.06Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 2.91Å; E302-A305 PolarHBondContact O-N 2.81Å |
| 303 | A | 55.5 | Low | 69.1 | Low | 101 Ų | 101 | 78.8 Ų | 78.8 | 84% | 0.835 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -70.5 | -18.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P301 | P301-A303 PolarHBondContact O-N 3.4Š|
| 304 | L | 54.5 | Low | 68.8 | Low | 49 Ų | 49 | 78.5 Ų | 78.5 | 26% | 0.257 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -99.7 | -7.4 | 178.2 | -62.3 | 177.9 | 0 | 0 | 0 | 112.5 | H238 P301 E302 V306 | H238-L304 HydrophobicContact CB-CD2 4.26Å; H238-L304 VanDerWaalsContact ND1-CD2 3.31Å; H238-L304 WeakPolarHBondContact ND1-CD2 3.5Å; P301-L304 HydrophobicContact CG-CD1 4.47Å; P301-L304 PolarHBondContact O-N 2.84Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 2.91Å; L304-V306 PolarHBondContact O-N 2.85Å |
| 305 | A | 53.2 | Low | 68.7 | Low | 50 Ų | 50 | 80.2 Ų | 80.2 | 41% | 0.413 | 44% | 0.443 | S | S | . | . | trans | -85.4 | 83.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E302 K307 | E302-A305 PolarHBondContact O-N 2.81Å; A305-K307 PolarHBondContact O-N 3.41Å | ||
| 306 | V | 51 | Low | 68.6 | Low | 79 Ų | 79 | 79.8 Ų | 79.8 | 48% | 0.479 | 44% | 0.436 | S | S | . | . | trans | -55.2 | 114.7 | 150.8 | 173.8 | 0 | 0 | 0 | 0 | 105 | L304 W308 | L304-V306 PolarHBondContact O-N 2.85Å; V306-W308 PolarHBondContact O-N 3.42Å | ||
| 307 | K | 50.4 | Low | 68.6 | Low | 190 Ų | 190 | 77.7 Ų | 77.7 | 83% | 0.826 | 42% | 0.422 | S | S | * | . | trans | -61.8 | 80.9 | 174.9 | -74.3 | -177.8 | 178.4 | -179.1 | 0 | 107.8 | A305 P309 | A305-K307 PolarHBondContact O-N 3.41Å; K307-P309 WeakPolarHBondContact O-CD 3.45Å | ||
| 308 | W | 48.5 | Very low | 68.6 | Low | 122 Ų | 122 | 79.3 Ų | 79.3 | 46% | 0.462 | 44% | 0.435 | S | S | . | . | trans | -56 | 118.9 | 157.5 | -74.9 | 98.8 | 0 | 0 | 0 | 105 | D179 V306 F310 L311 | D179-W308 WeakPolarHBondContact OD2-CZ2 3.32Å; V306-W308 PolarHBondContact O-N 3.42Å; W308-F310 PolarHBondContact O-N 2.81Å; W308-L311 HydrophobicContact CB-CB 4.13Å; W308-L311 HydrophobicContact CB-CD1 3.74Å; W308-L311 HydrophobicContact CB-CG 3.83Å; W308-L311 HydrophobicContact CG-CD1 3.84Å; W308-L311 HydrophobicContact CG-CG 4.43Å; W308-L311 PolarHBondContact O-N 2.91Å | ||
| 309 | P | 52.2 | Low | 68.5 | Low | 106 Ų | 106 | 77.2 Ų | 77.2 | 69% | 0.688 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -2 | -171.4 | 19.9 | -28.9 | 0 | 0 | 0 | 113.8 | K307 | K307-P309 WeakPolarHBondContact O-CD 3.45Š|
| 310 | F | 55 | Low | 68.6 | Low | 174 Ų | 174 | 77.8 Ų | 77.8 | 76% | 0.763 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | -3.2 | -174.6 | -48.5 | -65.7 | 0 | 0 | 0 | 114.9 | W308 | W308-F310 PolarHBondContact O-N 2.81Š|
| 311 | L | 62.4 | Low | 69.1 | Low | 79 Ų | 79 | 78.9 Ų | 78.9 | 41% | 0.414 | 44% | 0.439 | S | S | . | . | trans | -97.5 | 114.9 | -178.9 | -67.8 | 178 | 0 | 0 | 0 | 110.6 | W308 D356 A358 | W308-L311 HydrophobicContact CB-CB 4.13Å; W308-L311 HydrophobicContact CB-CD1 3.74Å; W308-L311 HydrophobicContact CB-CG 3.83Å; W308-L311 HydrophobicContact CG-CD1 3.84Å; W308-L311 HydrophobicContact CG-CG 4.43Å; W308-L311 PolarHBondContact O-N 2.91Å; L311-D356 WeakPolarHBondContact CA-O 3.47Å; L311-A358 HydrophobicContact CD2-CB 4.22Å | ||
| 312 | G | 70.3 | Confident | 69.9 | Low | 27 Ų | 27 | 76.6 Ų | 76.6 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | trans | -81.3 | -176.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D356 | G312-D356 PolarHBondContact N-O 3.34Š| ||
| 313 | P | 79.3 | Confident | 71.1 | Confident | 79 Ų | 79 | 70 Ų | 70 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | trans | -60.3 | 152.6 | 178.5 | 27.2 | -34.5 | 0 | 0 | 0 | 111.3 | Q315 D356 | P313-Q315 PolarHBondContact O-N 2.74Å; P313-D356 PolarHBondContact O-N 3.24Å | ||
| 314 | R | 83 | Confident | 72.8 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130.6 | 175.9 | -66.2 | 174.4 | 69 | 91.2 | -9.1 | 110.6 | E112 C297 Q299 C353 A354 S355 | E112-R314 IonicContact OE1-CZ 2.68Å; E112-R314 IonicContact OE1-NH1 3.93Å; E112-R314 PolarHBondContact OE1-NH1 3.28Å; E112-R314 IonicContact OE1-NH2 3.14Å; E112-R314 IonicContact OE2-CZ 3.31Å; E112-R314 IonicContact OE2-NH1 3.69Å; E112-R314 PolarHBondContact OE2-NH1 3.25Å; E112-R314 IonicContact OE2-NH2 2.78Å; E112-R314 PolarHBondContact OE2-NH2 3.47Å; C297-R314 HydrophobicContact CB-CB 4.04Å; Q299-R314 PolarHBondContact NE2-O 3.31Å; R314-C353 PolarHBondContact NH2-O 3.27Å; R314-A354 CarbonylContact C-O 3.56Å; R314-A354 VanDerWaalsContact CA-O 3.28Å; R314-A354 WeakPolarHBondContact CA-O 3.37Å; R314-S355 WeakPolarHBondContact CG-OG 3.49Å |
| 315 | Q | 87.3 | Confident | 74.5 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 152.7 | 179.9 | -62.5 | 179.5 | 17.1 | 0 | 0 | 110.8 | P313 I317 C353 A354 | P313-Q315 PolarHBondContact O-N 2.74Å; Q315-I317 HydrophobicContact CB-CG2 4.29Å; Q315-I317 PolarHBondContact O-N 3.1Å; Q315-C353 WeakPolarHBondContact O-CA 3.02Å; Q315-A354 PolarHBondContact N-O 3.24Å; Q315-A354 PolarHBondContact O-N 3.43Å; Q315-A354 VanDerWaalsContact O-N 3.11Å |
| 316 | C | 88.8 | Confident | 76.3 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 112.6 | 175.3 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | C263 V294 C297 | C263-C316 VanDerWaalsContact CA-SG 3.52Å; C263-C316 HydrophobicContact CB-CB 3.66Å; C263-C316 WeakPolarHBondContact CB-SG 3.25Å; C263-C316 VanDerWaalsContact SG-CA 3.54Å; C263-C316 WeakPolarHBondContact SG-CB 3.32Å; C263-C316 CovalentContact SG-SG 2.03Å; C263-C316 PolarHBondContact SG-SG 3.37Å; V294-C316 PolarHBondContact O-SG 2.98Å; C297-C316 PolarHBondContact SG-N 2.77Å |
| 317 | I | 88.2 | Confident | 78.1 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.9 | -175.2 | 65.6 | 164.3 | 0 | 0 | 0 | 111.8 | P18 Q315 S319 C351 S352 A354 V360 | P18-I317 HydrophobicContact CB-CG2 3.97Å; Q315-I317 HydrophobicContact CB-CG2 4.29Å; Q315-I317 PolarHBondContact O-N 3.1Å; I317-S319 PolarHBondContact O-N 2.86Å; I317-C351 CarbonylContact O-C 3.45Å; I317-C351 WeakPolarHBondContact O-CA 3.41Å; I317-S352 PolarHBondContact N-O 3.18Å; I317-S352 PolarHBondContact O-N 2.81Å; I317-A354 HydrophobicContact CD1-CB 3.63Å; I317-A354 HydrophobicContact CG1-CB 4.07Å; I317-V360 HydrophobicContact CD1-CG2 4.44Å |
| 318 | A | 87.9 | Confident | 80 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 37% | 0.372 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 107.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T321 V348 | A318-T321 HydrophobicContact CB-CG2 3.95Å; A318-V348 HydrophobicContact CB-CG1 4.02Å; A318-V348 HydrophobicContact CB-CG2 4.1Å |
| 319 | S | 83.7 | Confident | 81.9 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -32.2 | 175.7 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | I317 K350 S352 | I317-S319 PolarHBondContact O-N 2.86Å; S319-K350 PolarHBondContact N-O 3.42Å; S319-K350 PolarHBondContact OG-O 3.28Å; S319-S352 WeakPolarHBondContact CB-OG 3.08Å |
| 320 | E | 84.5 | Confident | 83.4 | Confident | 101 Ų | 101 | 39 Ų | 39 | 47% | 0.472 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 128.5 | -178.4 | -60.4 | 174.8 | -157.4 | 0 | 0 | 108.6 | Q349 K350 | E320-Q349 HydrophobicContact CB-CB 4.02Å; E320-Q349 WeakPolarHBondContact O-CA 3.31Å; E320-Q349 WeakPolarHBondContact O-CB 3.38Å; E320-Q349 PolarHBondContact O-N 3.26Å; E320-K350 HydrophobicContact CB-CB 3.83Å; E320-K350 HydrophobicContact CG-CB 4.09Å; E320-K350 HydrophobicContact CG-CD 4.33Å; E320-K350 PolarHBondContact N-O 2.6Å; E320-K350 PolarHBondContact O-N 3.46Å; E320-K350 VanDerWaalsContact O-N 3.13Å; E320-K350 WeakPolarHBondContact OE1-CD 3.27Å; E320-K350 IonicContact OE1-NZ 3.62Å |
| 321 | T | 84.6 | Confident | 84.6 | Confident | 56 Ų | 56 | 36.4 Ų | 36.4 | 34% | 0.344 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151.1 | 179.5 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | A318 N345 R347 | A318-T321 HydrophobicContact CB-CG2 3.95Å; T321-N345 PolarHBondContact OG1-OD1 3.16Å; T321-R347 CarbonylContact C-O 3.47Å; T321-R347 WeakPolarHBondContact CA-O 3.36Å |
| 322 | A | 85.5 | Confident | 85.1 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | M346 R347 Q349 | A322-M346 PolarHBondContact O-N 2.86Å; A322-M346 VanDerWaalsContact O-N 3.08Å; A322-R347 HydrophobicContact CB-CB 4.42Å; A322-R347 PolarHBondContact N-O 2.7Å; A322-R347 PolarHBondContact O-N 3.37Å; A322-R347 VanDerWaalsContact O-N 3.08Å; A322-Q349 HydrophobicContact CB-CG 3.8Å |
| 323 | S | 88.2 | Confident | 84.9 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 149.4 | 172 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | S68 S342 L343 | S68-S323 VanDerWaalsContact CB-O 3.3Å; S68-S323 WeakPolarHBondContact CB-O 3.48Å; S323-S342 WeakPolarHBondContact CB-OG 3.23Å; S323-S342 PolarHBondContact OG-OG 3.36Å; S323-L343 CarbonylContact C-O 3.57Å; S323-L343 WeakPolarHBondContact CA-O 3.42Å; S323-L343 VanDerWaalsContact CB-O 3.25Å; S323-L343 WeakPolarHBondContact CB-O 3.38Å |
| 324 | L | 89.4 | Confident | 84.6 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.6 | 174 | 178.4 | 69.5 | 0 | 0 | 0 | 109.4 | P285 F288 M326 S342 L343 M346 | P285-L324 HydrophobicContact CG-CD1 4.44Å; F288-L324 HydrophobicContact CB-CD1 4.22Å; F288-L324 HydrophobicContact CD1-CD1 4.39Å; F288-L324 HydrophobicContact CD1-CD2 3.63Å; F288-L324 HydrophobicContact CD2-CD1 4.09Å; F288-L324 HydrophobicContact CD2-CD2 4.01Å; F288-L324 HydrophobicContact CE1-CD2 3.41Å; F288-L324 VanDerWaalsContact CE1-CD2 3.41Å; F288-L324 HydrophobicContact CE2-CD2 3.8Å; F288-L324 HydrophobicContact CG-CD1 3.98Å; F288-L324 HydrophobicContact CG-CD2 3.93Å; F288-L324 HydrophobicContact CZ-CD2 3.5Å; L324-M326 HydrophobicContact CD2-CG 4.02Å; L324-M326 HydrophobicContact CD2-SD 3.95Å; L324-M326 HydrophobicContact CG-CG 3.97Å; L324-S342 WeakPolarHBondContact O-CA 3.41Å; L324-L343 PolarHBondContact N-O 2.92Å; L324-L343 PolarHBondContact O-N 3.22Å; L324-M346 HydrophobicContact CB-CB 3.47Å; L324-M346 VanDerWaalsContact CB-CB 3.47Å; L324-M346 HydrophobicContact CB-CG 3.93Å; L324-M346 HydrophobicContact CD2-CB 4.34Å |
| 325 | P | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 141 | 166.6 | 31.4 | -33.4 | 0 | 0 | 0 | 110.2 | Y61 L64 L65 V341 | Y61-P325 HydrophobicContact CD2-CB 3.99Å; Y61-P325 HydrophobicContact CD2-CG 4.42Å; Y61-P325 HydrophobicContact CE2-CB 4.12Å; Y61-P325 HydrophobicContact CE2-CG 4.21Å; Y61-P325 WeakPolarHBondContact CE2-O 3.5Å; L64-P325 HydrophobicContact CB-CB 3.72Å; L64-P325 HydrophobicContact CB-CG 4.01Å; L64-P325 HydrophobicContact CD1-CB 4.17Å; L65-P325 HydrophobicContact CB-CG 4.46Å; L65-P325 HydrophobicContact CD2-CG 3.65Å; L65-P325 HydrophobicContact CG-CG 3.75Å; P325-V341 CarbonylContact C-O 3.56Å; P325-V341 VanDerWaalsContact CA-O 3.29Å; P325-V341 WeakPolarHBondContact CA-O 3.39Å |
| 326 | M | 90.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.2 | 178.4 | -59.4 | -177.2 | 67.9 | 0 | 0 | 109.3 | L31 L272 V282 E284 L324 V340 V341 L343 | L31-M326 HydrophobicContact CD1-CE 4.05Å; L31-M326 HydrophobicContact CD1-SD 3.77Å; L272-M326 HydrophobicContact CD1-CE 3.78Å; V282-M326 HydrophobicContact CB-CE 4.4Å; V282-M326 HydrophobicContact CG1-CE 3.53Å; V282-M326 HydrophobicContact CG2-CE 3.89Å; E284-M326 CarbonylContact O-C 3.55Å; E284-M326 VanDerWaalsContact O-CA 3.24Å; E284-M326 WeakPolarHBondContact O-CA 3.49Å; L324-M326 HydrophobicContact CD2-CG 4.02Å; L324-M326 HydrophobicContact CD2-SD 3.95Å; L324-M326 HydrophobicContact CG-CG 3.97Å; M326-V340 CarbonylContact O-C 3.5Å; M326-V340 WeakPolarHBondContact O-CA 3.43Å; M326-V341 PolarHBondContact N-O 2.97Å; M326-V341 PolarHBondContact O-N 2.88Å; M326-L343 HydrophobicContact SD-CD1 3.5Å; M326-L343 WeakPolarHBondContact SD-CD1 3.41Å; M326-L343 HydrophobicContact SD-CG 4.17Å |
| 327 | I | 89.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.2 | 168.2 | -53 | -179.1 | 0 | 0 | 0 | 106.9 | I53 V57 Y61 L283 E284 P338 Q339 V340 | I53-I327 HydrophobicContact CD1-CD1 4.14Å; I53-I327 HydrophobicContact CD1-CG2 4.44Å; I53-I327 HydrophobicContact CG2-CD1 4.05Å; V57-I327 HydrophobicContact CG1-CD1 4.37Å; V57-I327 HydrophobicContact CG1-CG2 4.2Å; Y61-I327 HydrophobicContact CD1-CD1 4.08Å; Y61-I327 HydrophobicContact CD2-CD1 4.11Å; Y61-I327 HydrophobicContact CD2-CG1 3.69Å; Y61-I327 HydrophobicContact CE2-CG1 4.25Å; Y61-I327 HydrophobicContact CG-CD1 3.76Å; Y61-I327 HydrophobicContact CG-CG1 3.86Å; L283-I327 HydrophobicContact CB-CB 4.36Å; L283-I327 HydrophobicContact CB-CG2 4.22Å; L283-I327 HydrophobicContact CD1-CG2 4.11Å; L283-I327 PolarHBondContact N-O 2.97Å; E284-I327 HydrophobicContact CB-CB 4.02Å; E284-I327 HydrophobicContact CB-CD1 4.02Å; E284-I327 HydrophobicContact CB-CG1 3.98Å; E284-I327 HydrophobicContact CG-CD1 4.07Å; E284-I327 PolarHBondContact N-O 3Å; E284-I327 PolarHBondContact O-N 2.82Å; I327-P338 HydrophobicContact CG2-CB 3.89Å; I327-Q339 WeakPolarHBondContact CA-O 3.47Å; I327-V340 HydrophobicContact CG1-CG2 4.48Å |
| 328 | V | 90.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 152.6 | 178.8 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | L31 L35 W281 V282 I330 P338 Q339 V341 | L31-V328 HydrophobicContact CD1-CG1 4.06Å; L35-V328 HydrophobicContact CD1-CG2 4.23Å; W281-V328 CarbonylContact O-C 3.45Å; W281-V328 VanDerWaalsContact O-CA 3.3Å; W281-V328 WeakPolarHBondContact O-CA 3.47Å; V282-V328 HydrophobicContact CG2-CG1 4.35Å; V328-I330 HydrophobicContact CG2-CD1 4.05Å; V328-I330 HydrophobicContact CG2-CG1 3.97Å; V328-P338 CarbonylContact O-C 3.39Å; V328-P338 WeakPolarHBondContact O-CA 3.4Å; V328-Q339 PolarHBondContact N-O 2.95Å; V328-Q339 PolarHBondContact O-N 3.1Å; V328-V341 HydrophobicContact CG2-CG2 3.63Å |
| 329 | S | 87.9 | Confident | 83.8 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.8 | 172.7 | 72.4 | 0 | 0 | 0 | 0 | 110.4 | N280 W281 | N280-S329 PolarHBondContact O-OG 3.02Å; W281-S329 PolarHBondContact NE1-O 2.91Å; W281-S329 PolarHBondContact O-N 2.76Å; W281-S329 PolarHBondContact O-OG 2.76Å |
| 330 | I | 84.9 | Confident | 84.2 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.7 | 177.1 | -53.3 | -167.2 | 0 | 0 | 0 | 109.3 | L35 V328 T336 R337 Q339 | L35-I330 HydrophobicContact CD1-CD1 4.28Å; L35-I330 HydrophobicContact CD2-CD1 3.69Å; V328-I330 HydrophobicContact CG2-CD1 4.05Å; V328-I330 HydrophobicContact CG2-CG1 3.97Å; I330-T336 WeakPolarHBondContact O-CA 3.39Å; I330-R337 PolarHBondContact N-O 2.88Å; I330-R337 PolarHBondContact O-N 3.49Å; I330-Q339 HydrophobicContact CD1-CB 4.21Å; I330-Q339 VanDerWaalsContact CD1-OE1 3.28Å; I330-Q339 HydrophobicContact CG1-CB 4.42Å |
| 331 | K | 80.1 | Confident | 84.5 | Confident | 118 Ų | 118 | 48.2 Ų | 48.2 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 108.1 | 176.7 | -165.2 | 166.6 | -176.9 | 163.9 | 0 | 108.9 | D44 | D44-K331 IonicContact OD2-NZ 2.81Å; D44-K331 PolarHBondContact OD2-NZ 3.19Å |
| 332 | E | 73.1 | Confident | 84.7 | Confident | 121 Ų | 121 | 47.2 Ų | 47.2 | 57% | 0.565 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.6 | -179.5 | -163.7 | -177.5 | -154.3 | 0 | 0 | 109 | G334 R335 R337 | E332-G334 VanDerWaalsContact C-N 3.29Å; E332-G334 PolarHBondContact O-N 3.09Å; E332-R335 PolarHBondContact N-O 3.47Å; E332-R335 PolarHBondContact O-N 3.19Å; E332-R337 IonicContact OE2-NH1 3.25Å |
| 333 | G | 65 | Low | 84.8 | Confident | 88 Ų | 88 | 46.7 Ų | 46.7 | 91% | 0.907 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 33.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R335 | G333-R335 VanDerWaalsContact C-N 3.29Å; G333-R335 PolarHBondContact O-N 3.28Å |
| 334 | G | 72.6 | Confident | 84.7 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -2.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E332 | E332-G334 VanDerWaalsContact C-N 3.29Å; E332-G334 PolarHBondContact O-N 3.09Å |
| 335 | R | 74.6 | Confident | 84.5 | Confident | 180 Ų | 180 | 52.8 Ų | 52.8 | 68% | 0.679 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.8 | 173 | -68.7 | -177.1 | 176.4 | 173.5 | 0.2 | 111 | E332 G333 | E332-R335 PolarHBondContact N-O 3.47Å; E332-R335 PolarHBondContact O-N 3.19Å; G333-R335 VanDerWaalsContact C-N 3.29Å; G333-R335 PolarHBondContact O-N 3.28Å |
| 336 | T | 81.9 | Confident | 84.3 | Confident | 18 Ų | 18 | 53 Ų | 53 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 125.3 | 172.3 | -52.4 | 0 | 0 | 0 | 0 | 109 | L51 I330 | L51-T336 HydrophobicContact CD1-CG2 4.1Å; L51-T336 WeakPolarHBondContact CD1-O 3.3Å; L51-T336 HydrophobicContact CD2-CG2 4.19Å; I330-T336 WeakPolarHBondContact O-CA 3.39Å |
| 337 | R | 85.2 | Confident | 84 | Confident | 133 Ų | 133 | 54.3 Ų | 54.3 | 50% | 0.502 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.7 | 178.9 | -69.7 | -176.6 | 172 | -178.5 | -2.4 | 111.1 | I330 E332 | I330-R337 PolarHBondContact N-O 2.88Å; I330-R337 PolarHBondContact O-N 3.49Å; E332-R337 IonicContact OE2-NH1 3.25Å |
| 338 | P | 88.1 | Confident | 83.9 | Confident | 20 Ų | 20 | 55 Ų | 55 | 13% | 0.13 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134.2 | 174.4 | 30.4 | -31.6 | 0 | 0 | 0 | 110.8 | P54 L283 I327 V328 | P54-P338 HydrophobicContact CG-CG 4.23Å; L283-P338 HydrophobicContact CD1-CB 3.8Å; I327-P338 HydrophobicContact CG2-CB 3.89Å; V328-P338 CarbonylContact O-C 3.39Å; V328-P338 WeakPolarHBondContact O-CA 3.4Å |
| 339 | Q | 89.8 | Confident | 83.6 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.7 | 179.2 | -179.9 | 168.1 | -3.5 | 0 | 0 | 110.8 | I327 V328 I330 | I327-Q339 WeakPolarHBondContact CA-O 3.47Å; V328-Q339 PolarHBondContact N-O 2.95Å; V328-Q339 PolarHBondContact O-N 3.1Å; I330-Q339 HydrophobicContact CD1-CB 4.21Å; I330-Q339 VanDerWaalsContact CD1-OE1 3.28Å; I330-Q339 HydrophobicContact CG1-CB 4.42Å |
| 340 | V | 90.7 | Very high | 83.4 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.7 | 174 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | V57 Q60 L64 M326 I327 | V57-V340 HydrophobicContact CB-CG2 4.5Å; V57-V340 HydrophobicContact CG1-CG2 3.53Å; V57-V340 WeakPolarHBondContact O-CG2 3.18Å; Q60-V340 HydrophobicContact CB-CG2 4.26Å; Q60-V340 HydrophobicContact CG-CB 4.47Å; Q60-V340 HydrophobicContact CG-CG2 4.23Å; L64-V340 HydrophobicContact CD1-CG1 3.81Å; M326-V340 CarbonylContact O-C 3.5Å; M326-V340 WeakPolarHBondContact O-CA 3.43Å; I327-V340 HydrophobicContact CG1-CG2 4.48Å |
| 341 | V | 90.5 | Very high | 83.5 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | Q34 L35 P325 M326 V328 L343 | Q34-V341 HydrophobicContact CG-CG1 4.13Å; Q34-V341 VanDerWaalsContact NE2-CG1 3.34Å; L35-V341 HydrophobicContact CD2-CG2 3.72Å; L35-V341 HydrophobicContact CG-CG2 4.46Å; P325-V341 CarbonylContact C-O 3.56Å; P325-V341 VanDerWaalsContact CA-O 3.29Å; P325-V341 WeakPolarHBondContact CA-O 3.39Å; M326-V341 PolarHBondContact N-O 2.97Å; M326-V341 PolarHBondContact O-N 2.88Å; V328-V341 HydrophobicContact CG2-CG2 3.63Å; V341-L343 HydrophobicContact CG1-CD2 3.87Å |
| 342 | S | 89.3 | Confident | 83.8 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 106.1 | 177 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | Q34 S323 L324 | Q34-S342 PolarHBondContact NE2-O 2.99Å; Q34-S342 PolarHBondContact OE1-O 3.33Å; S323-S342 WeakPolarHBondContact CB-OG 3.23Å; S323-S342 PolarHBondContact OG-OG 3.36Å; L324-S342 WeakPolarHBondContact O-CA 3.41Å |
| 343 | L | 87.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.1 | -179.6 | -57.3 | -175.7 | 0 | 0 | 0 | 109.9 | L27 L31 Q34 S323 L324 M326 V341 M346 | L27-L343 HydrophobicContact CD1-CD1 3.99Å; L31-L343 HydrophobicContact CB-CD1 4.15Å; L31-L343 HydrophobicContact CB-CD2 4.24Å; L31-L343 HydrophobicContact CD1-CD1 3.92Å; L31-L343 HydrophobicContact CD1-CD2 4.38Å; L31-L343 HydrophobicContact CG-CD2 4.44Å; Q34-L343 HydrophobicContact CB-CD2 4.25Å; Q34-L343 HydrophobicContact CG-CD2 4.48Å; S323-L343 CarbonylContact C-O 3.57Å; S323-L343 WeakPolarHBondContact CA-O 3.42Å; S323-L343 VanDerWaalsContact CB-O 3.25Å; S323-L343 WeakPolarHBondContact CB-O 3.38Å; L324-L343 PolarHBondContact N-O 2.92Å; L324-L343 PolarHBondContact O-N 3.22Å; M326-L343 HydrophobicContact SD-CD1 3.5Å; M326-L343 WeakPolarHBondContact SD-CD1 3.41Å; M326-L343 HydrophobicContact SD-CG 4.17Å; V341-L343 HydrophobicContact CG1-CD2 3.87Å; L343-M346 HydrophobicContact CB-CE 3.7Å; L343-M346 HydrophobicContact CB-CG 3.49Å; L343-M346 VanDerWaalsContact CB-CG 3.49Å; L343-M346 HydrophobicContact CB-SD 4.46Å; L343-M346 HydrophobicContact CD1-CE 3.5Å; L343-M346 HydrophobicContact CD1-CG 4.41Å; L343-M346 HydrophobicContact CG-CE 4.18Å |
| 344 | P | 87 | Confident | 85.2 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 157 | 178.4 | 30.6 | -34.7 | 0 | 0 | 0 | 111.7 | M346 | P344-M346 PolarHBondContact O-N 3.26Å; P344-M346 VanDerWaalsContact O-N 3.17Å |
| 345 | N | 85.2 | Confident | 85.3 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 60.4 | 21.4 | 171.2 | -53.9 | -42.7 | 0 | 0 | 0 | 116.9 | T321 | T321-N345 PolarHBondContact OG1-OD1 3.16Å |
| 346 | M | 86.1 | Confident | 84.9 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -18.2 | -173.8 | -71.5 | -52.2 | -167.8 | 0 | 0 | 115.3 | M22 L27 A322 L324 L343 P344 | M22-M346 HydrophobicContact SD-SD 4.31Å; L27-M346 HydrophobicContact CD1-CE 3.5Å; L27-M346 VanDerWaalsContact CD1-CE 3.5Å; L27-M346 HydrophobicContact CD1-CG 4.4Å; L27-M346 HydrophobicContact CD1-SD 3.73Å; L27-M346 HydrophobicContact CG-CE 4.45Å; A322-M346 PolarHBondContact O-N 2.86Å; A322-M346 VanDerWaalsContact O-N 3.08Å; L324-M346 HydrophobicContact CB-CB 3.47Å; L324-M346 VanDerWaalsContact CB-CB 3.47Å; L324-M346 HydrophobicContact CB-CG 3.93Å; L324-M346 HydrophobicContact CD2-CB 4.34Å; L343-M346 HydrophobicContact CB-CE 3.7Å; L343-M346 HydrophobicContact CB-CG 3.49Å; L343-M346 VanDerWaalsContact CB-CG 3.49Å; L343-M346 HydrophobicContact CB-SD 4.46Å; L343-M346 HydrophobicContact CD1-CE 3.5Å; L343-M346 HydrophobicContact CD1-CG 4.41Å; L343-M346 HydrophobicContact CG-CE 4.18Å; P344-M346 PolarHBondContact O-N 3.26Å; P344-M346 VanDerWaalsContact O-N 3.17Å |
| 347 | R | 84.3 | Confident | 83.7 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118.8 | 179.9 | -173.4 | 170.5 | 68.3 | -171.1 | 4.2 | 111.7 | S68 H69 L289 A290 Y291 T321 A322 Q349 | S68-R347 PolarHBondContact O-NH2 3.07Å; S68-R347 PolarHBondContact OG-NH2 3.36Å; H69-R347 PolarHBondContact CD2-NH2 3.45Å; H69-R347 VanDerWaalsContact CD2-NH2 3.29Å; H69-R347 PolarHBondContact CE1-NH1 3.39Å; H69-R347 PolarHBondContact NE2-NH1 3Å; H69-R347 PolarHBondContact NE2-NH2 3.04Å; L289-R347 WeakPolarHBondContact O-CD 3.33Å; L289-R347 VanDerWaalsContact O-CG 3.26Å; L289-R347 WeakPolarHBondContact O-CG 3.42Å; A290-R347 CarbonylContact O-C 3.57Å; A290-R347 WeakPolarHBondContact O-CA 3.49Å; Y291-R347 HydrophobicContact CD2-CG 4.09Å; Y291-R347 HydrophobicContact CE2-CG 4.48Å; T321-R347 CarbonylContact C-O 3.47Å; T321-R347 WeakPolarHBondContact CA-O 3.36Å; A322-R347 HydrophobicContact CB-CB 4.42Å; A322-R347 PolarHBondContact N-O 2.7Å; A322-R347 PolarHBondContact O-N 3.37Å; A322-R347 VanDerWaalsContact O-N 3.08Å; R347-Q349 PolarHBondContact O-N 3.43Å |
| 348 | V | 87.6 | Confident | 82.4 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 119.5 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | R265 A290 Y291 A318 | R265-V348 WeakPolarHBondContact CD-O 3.45Å; R265-V348 HydrophobicContact CG-CG1 4.23Å; R265-V348 PolarHBondContact NH1-O 2.92Å; A290-V348 PolarHBondContact O-N 3.28Å; Y291-V348 WeakPolarHBondContact O-CG2 3.03Å; A318-V348 HydrophobicContact CB-CG1 4.02Å; A318-V348 HydrophobicContact CB-CG2 4.1Å |
| 349 | Q | 84.1 | Confident | 80.6 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 27% | 0.271 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -38.3 | 174.1 | -65.4 | -53.8 | -52.1 | 0 | 0 | 111.5 | R265 E320 A322 R347 | R265-Q349 PolarHBondContact NH1-O 2.87Å; E320-Q349 HydrophobicContact CB-CB 4.02Å; E320-Q349 WeakPolarHBondContact O-CA 3.31Å; E320-Q349 WeakPolarHBondContact O-CB 3.38Å; E320-Q349 PolarHBondContact O-N 3.26Å; A322-Q349 HydrophobicContact CB-CG 3.8Å; R347-Q349 PolarHBondContact O-N 3.43Å |
| 350 | K | 84.8 | Confident | 78.6 | Confident | 109 Ų | 109 | 47.1 Ų | 47.1 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 136.5 | -175.5 | -166.6 | -178.2 | 179.2 | -176 | 0 | 111.9 | S319 E320 | S319-K350 PolarHBondContact N-O 3.42Å; S319-K350 PolarHBondContact OG-O 3.28Å; E320-K350 HydrophobicContact CB-CB 3.83Å; E320-K350 HydrophobicContact CG-CB 4.09Å; E320-K350 HydrophobicContact CG-CD 4.33Å; E320-K350 PolarHBondContact N-O 2.6Å; E320-K350 PolarHBondContact O-N 3.46Å; E320-K350 VanDerWaalsContact O-N 3.13Å; E320-K350 WeakPolarHBondContact OE1-CD 3.27Å; E320-K350 IonicContact OE1-NZ 3.62Å |
| 351 | C | 86.8 | Confident | 76.2 | 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 | -97.4 | 150.4 | 170.1 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | A247 R265 C293 I317 | A247-C351 HydrophobicContact CB-CB 4.29Å; A247-C351 WeakPolarHBondContact CB-O 3.26Å; R265-C351 VanDerWaalsContact CB-SG 3.55Å; C293-C351 WeakPolarHBondContact CA-SG 3.1Å; C293-C351 HydrophobicContact CB-CB 3.84Å; C293-C351 WeakPolarHBondContact CB-SG 3.19Å; C293-C351 VanDerWaalsContact SG-CA 3.52Å; C293-C351 WeakPolarHBondContact SG-CB 3.46Å; C293-C351 CovalentContact SG-SG 2.03Å; C293-C351 PolarHBondContact SG-SG 3.24Å; I317-C351 CarbonylContact O-C 3.45Å; I317-C351 WeakPolarHBondContact O-CA 3.41Å |
| 352 | S | 86.1 | Confident | 73.7 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 158.8 | 176.1 | 74.3 | 0 | 0 | 0 | 0 | 110.9 | I317 S319 | I317-S352 PolarHBondContact N-O 3.18Å; I317-S352 PolarHBondContact O-N 2.81Å; S319-S352 WeakPolarHBondContact CB-OG 3.08Å |
| 353 | C | 86.4 | Confident | 71.1 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.7 | 167.8 | -69 | 0 | 0 | 0 | 0 | 109.4 | Y245 C297 R314 Q315 | Y245-C353 WeakPolarHBondContact O-CB 3.34Å; C297-C353 HydrophobicContact CB-CB 3.69Å; C297-C353 WeakPolarHBondContact CB-SG 3.33Å; C297-C353 WeakPolarHBondContact SG-CA 3.47Å; C297-C353 WeakPolarHBondContact SG-CB 3.29Å; C297-C353 CovalentContact SG-SG 2.03Å; C297-C353 PolarHBondContact SG-SG 3.04Å; R314-C353 PolarHBondContact NH2-O 3.27Å; Q315-C353 WeakPolarHBondContact O-CA 3.02Å |
| 354 | A | 79.9 | Confident | 68.5 | Low | 19 Ų | 19 | 77.8 Ų | 77.8 | 16% | 0.157 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 146.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | R314 Q315 I317 | R314-A354 CarbonylContact C-O 3.56Å; R314-A354 VanDerWaalsContact CA-O 3.28Å; R314-A354 WeakPolarHBondContact CA-O 3.37Å; Q315-A354 PolarHBondContact N-O 3.24Å; Q315-A354 PolarHBondContact O-N 3.43Å; Q315-A354 VanDerWaalsContact O-N 3.11Å; I317-A354 HydrophobicContact CD1-CB 3.63Å; I317-A354 HydrophobicContact CG1-CB 4.07Å |
| 355 | S | 75.4 | Confident | 65.6 | Low | 29 Ų | 29 | 82.7 Ų | 82.7 | 20% | 0.203 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.3 | 174 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | R314 G357 A358 | R314-S355 WeakPolarHBondContact CG-OG 3.49Å; S355-G357 PolarHBondContact O-N 3.18Å; S355-A358 WeakPolarHBondContact O-CB 3.11Å; S355-A358 PolarHBondContact O-N 3Å |
| 356 | D | 65.5 | Low | 63.2 | Low | 79 Ų | 79 | 87.2 Ų | 87.2 | 42% | 0.422 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 130.9 | 174.4 | -168.4 | 7.8 | 0 | 0 | 0 | 110.4 | L311 G312 P313 | L311-D356 WeakPolarHBondContact CA-O 3.47Å; G312-D356 PolarHBondContact N-O 3.34Å; P313-D356 PolarHBondContact O-N 3.24Å |
| 357 | G | 57.5 | Low | 62.1 | Low | 60 Ų | 60 | 91.3 Ų | 91.3 | 62% | 0.619 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -4.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S355 L359 | S355-G357 PolarHBondContact O-N 3.18Å; G357-L359 PolarHBondContact O-N 3.47Å |
| 358 | A | 57.2 | Low | 60.9 | Low | 46 Ų | 46 | 94.6 Ų | 94.6 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | trans | -69.3 | 131.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L311 S355 V360 | L311-A358 HydrophobicContact CD2-CB 4.22Å; S355-A358 WeakPolarHBondContact O-CB 3.11Å; S355-A358 PolarHBondContact O-N 3Å; A358-V360 PolarHBondContact O-N 3.18Å | ||
| 359 | L | 50.5 | Low | 59.4 | Low | 169 Ų | 169 | 99 Ų | 99 | 89% | 0.885 | 53% | 0.529 | S | S | * | . | trans | -63.9 | 110.5 | 170.6 | -71.1 | 172.1 | 0 | 0 | 0 | 108.6 | G357 P361 | G357-L359 PolarHBondContact O-N 3.47Å; L359-P361 WeakPolarHBondContact O-CD 3.39Å; L359-P361 VanDerWaalsContact O-N 3.14Å | ||
| 360 | V | 48.4 | Very low | 58 | Low | 82 Ų | 82 | 101.4 Ų | 101.4 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | trans | -55.3 | 120.4 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | I317 A358 R362 | I317-V360 HydrophobicContact CD1-CG2 4.44Å; A358-V360 PolarHBondContact O-N 3.18Å; V360-R362 VanDerWaalsContact C-N 3.28Å; V360-R362 PolarHBondContact O-N 3.2Å | ||
| 361 | P | 40.6 | Very low | 56.3 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 72% | 0.721 | 55% | 0.549 | S | S | * | . | trans | -67.2 | 91.5 | -177.9 | 23.9 | -30.3 | 0 | 0 | 0 | 108.9 | L359 R363 | L359-P361 WeakPolarHBondContact O-CD 3.39Å; L359-P361 VanDerWaalsContact O-N 3.14Å; P361-R363 PolarHBondContact O-N 3.05Å | ||
| 362 | R | 38 | Very low | 54.2 | Low | 222 Ų | 222 | 107.1 Ų | 107.1 | 84% | 0.838 | 58% | 0.581 | S | S | * | * | trans | -64.1 | 124.1 | 165.3 | -67.8 | -174.5 | 177.2 | -177.7 | -0.2 | 105.8 | V360 L364 | V360-R362 VanDerWaalsContact C-N 3.28Å; V360-R362 PolarHBondContact O-N 3.2Å; R362-L364 PolarHBondContact O-N 2.78Å; R362-L364 VanDerWaalsContact O-N 3.08Å | ||
| 363 | R | 34.5 | Very low | 52 | Low | 238 Ų | 238 | 112.4 Ų | 112.4 | 90% | 0.898 | 61% | 0.607 | S | S | * | * | trans | -50.5 | 125.5 | 167.7 | -78.6 | -160.1 | -161.1 | -157 | 8.8 | 106.9 | P361 Q365 | P361-R363 PolarHBondContact O-N 3.05Å; R363-Q365 PolarHBondContact O-N 3.18Å | ||
| 364 | L | 32.8 | Very low | 49.3 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 71% | 0.707 | 65% | 0.65 | S | S | * | * | trans | -55.6 | 112.8 | 162.4 | -67.4 | 169.9 | 0 | 0 | 0 | 105.2 | R362 | R362-L364 PolarHBondContact O-N 2.78Å; R362-L364 VanDerWaalsContact O-N 3.08Å | ||
| 365 | Q | 25.5 | Very low | 46.8 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | trans | -58.5 | 143.9 | 168.4 | -87.4 | 174.5 | -22.8 | 0 | 0 | 107.6 | R363 | R363-Q365 PolarHBondContact O-N 3.18Š| ||
| 366 | P | 35.4 | Very low | 44.2 | Very low | 199 Ų | 199 | 138.2 Ų | 138.2 | 100% | 1.292 | 74% | 0.736 | S | S | * | * | trans | -55.4 | 0 | -178.1 | 23.7 | -33.7 | 0 | 0 | 0 | 113 |
Retrieved 366 of 366 residues in 62.1 ms
(Link to these results)