| 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 | 38.9 | Very low | 37.7 | Very low | 239 Ų | 239 | 154.2 Ų | 154.2 | 100% | 1.177 | 76% | 0.763 | S | S | * | * | 0 | 74 | 0 | -69.3 | -172.6 | -95.8 | 0 | 0 | 107.9 | |||||
| 2 | L | 31 | Very low | 38 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | cis | 60.4 | 80.2 | 43 | -72.1 | 173.8 | 0 | 0 | 0 | 114.9 | ||||
| 3 | R | 32.6 | Very low | 38.1 | Very low | 243 Ų | 243 | 153.8 Ų | 153.8 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | -171.2 | 120.1 | 126.5 | -99.9 | 173.1 | -167.3 | -159.1 | 4.1 | 110.1 | |||||
| 4 | P | 40.4 | Very low | 38.2 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -92 | 158.3 | -172.9 | 34 | -28 | 0 | 0 | 0 | 113.1 | T6 | P4-T6 PolarHBondContact O-N 3.21Å; P4-T6 PolarHBondContact O-OG1 3.06Å | ||
| 5 | F | 37.7 | Very low | 38 | Very low | 216 Ų | 216 | 146.5 Ų | 146.5 | 95% | 0.947 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -63.5 | 54.2 | 176.4 | -96.5 | -99 | 0 | 0 | 0 | 114 | ||
| 6 | T | 40.3 | Very low | 38 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 53% | 0.528 | 72% | 0.721 | S | S | . | * | trans | -97.6 | 0.8 | 180 | 15.7 | 0 | 0 | 0 | 0 | 114.6 | P4 | P4-T6 PolarHBondContact O-N 3.21Å; P4-T6 PolarHBondContact O-OG1 3.06Å | ||
| 7 | T | 38.7 | Very low | 38.1 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 64% | 0.638 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -4.9 | -166.5 | -11.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 8 | Y | 38.1 | Very low | 38.1 | Very low | 212 Ų | 212 | 142.7 Ų | 142.7 | 83% | 0.831 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -10.8 | -178.6 | -88.9 | -84.9 | 0 | 0 | 0 | 115.1 | ||
| 9 | V | 40.3 | Very low | 38.3 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -18.6 | -179.3 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 10 | L | 36.7 | Very low | 38.3 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 53% | 0.534 | 71% | 0.713 | S | S | . | * | G | 310 helix | trans | -81.5 | -22.2 | 176.9 | -83.5 | 154.8 | 0 | 0 | 0 | 114.1 | F12 F13 E14 | L10-F12 VanDerWaalsContact C-N 3.27Å; L10-F12 PolarHBondContact O-N 3.35Å; L10-F13 PolarHBondContact O-N 2.73Å; L10-E14 PolarHBondContact O-N 3.15Å |
| 11 | N | 40.2 | Very low | 38.4 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 56% | 0.561 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -74.1 | -9.6 | -179.3 | -81.3 | -20.7 | 0 | 0 | 0 | 115 | ||
| 12 | F | 41.6 | Very low | 38.4 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -90.8 | -23 | 177.3 | -139.9 | -93.7 | 0 | 0 | 0 | 112.9 | L10 | L10-F12 VanDerWaalsContact C-N 3.27Å; L10-F12 PolarHBondContact O-N 3.35Å |
| 13 | F | 39.7 | Very low | 38.7 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -25.6 | 178.4 | -90.2 | -85.2 | 0 | 0 | 0 | 113.7 | L10 C15 T17 | L10-F13 PolarHBondContact O-N 2.73Å; F13-C15 VanDerWaalsContact C-N 3.34Å; F13-T17 PolarHBondContact O-OG1 2.74Å |
| 14 | E | 38.4 | Very low | 39.1 | Very low | 121 Ų | 121 | 136 Ų | 136 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -14.6 | 173.3 | -76.1 | -177 | 154.6 | 0 | 0 | 113.9 | L10 T18 | L10-E14 PolarHBondContact O-N 3.15Å; E14-T18 PolarHBondContact O-OG1 3.32Å |
| 15 | C | 35.4 | Very low | 39.3 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 53% | 0.527 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | -16.4 | 176.2 | -156.9 | 0 | 0 | 0 | 0 | 113.1 | F13 I19 | F13-C15 VanDerWaalsContact C-N 3.34Å; C15-I19 WeakPolarHBondContact O-CD1 3.24Å |
| 16 | Q | 39 | Very low | 39.7 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -13.9 | 178 | -73.5 | -150.4 | -26.1 | 0 | 0 | 114.7 | ||
| 17 | T | 38.5 | Very low | 40.5 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -8.5 | -174.3 | 30.2 | 0 | 0 | 0 | 0 | 114.7 | F13 | F13-T17 PolarHBondContact O-OG1 2.74Š|
| 18 | T | 39.3 | Very low | 41.3 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -101.3 | -12.7 | 177.3 | -49.9 | 0 | 0 | 0 | 0 | 113.4 | E14 M20 | E14-T18 PolarHBondContact O-OG1 3.32Å; T18-M20 PolarHBondContact O-N 3.28Å |
| 19 | I | 42.2 | Very low | 42.5 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 52% | 0.523 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | 47.4 | -178.7 | -48.9 | 179.8 | 0 | 0 | 0 | 110.7 | C15 F31 | C15-I19 WeakPolarHBondContact O-CD1 3.24Å; I19-F31 HydrophobicContact CD1-CE2 4.31Å; I19-F31 HydrophobicContact CG2-CE2 4.39Å |
| 20 | M | 37.4 | Very low | 43.6 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 87% | 0.867 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.7 | 13.7 | 176.7 | -131.5 | 179.6 | 171.5 | 0 | 0 | 113.9 | T18 | T18-M20 PolarHBondContact O-N 3.28Š|
| 21 | K | 40.1 | Very low | 45.1 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -141.1 | 16.4 | 179.8 | -78.3 | -170 | 177.8 | 176.3 | 0 | 116.5 | ||
| 22 | L | 38.4 | Very low | 46.7 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | trans | -108.3 | 106.4 | 173.2 | -87.4 | 109.1 | 0 | 0 | 0 | 112.2 | M24 | L22-M24 HydrophobicContact CD2-CG 4.23Å; L22-M24 HydrophobicContact CD2-SD 3.58Å; L22-M24 VanDerWaalsContact CD2-SD 3.58Å; L22-M24 PolarHBondContact O-N 3.03Å | ||
| 23 | K | 37.8 | Very low | 48.4 | Very low | 218 Ų | 218 | 132.6 Ų | 132.6 | 95% | 0.948 | 66% | 0.657 | S | S | * | * | trans | -62.2 | 92.9 | 159.1 | -83.4 | 175.8 | 169.2 | 174.8 | 0 | 108.6 | ||||
| 24 | M | 41.3 | Very low | 50 | Low | 107 Ų | 107 | 128.1 Ų | 128.1 | 53% | 0.527 | 65% | 0.645 | S | S | . | * | trans | -137 | 94.7 | 171.5 | -73.2 | -174.1 | 62.1 | 0 | 0 | 110.6 | L22 | L22-M24 HydrophobicContact CD2-CG 4.23Å; L22-M24 HydrophobicContact CD2-SD 3.58Å; L22-M24 VanDerWaalsContact CD2-SD 3.58Å; L22-M24 PolarHBondContact O-N 3.03Å | ||
| 25 | K | 44.4 | Very low | 51.8 | Low | 196 Ų | 196 | 129.3 Ų | 129.3 | 85% | 0.852 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 134.2 | 156.4 | -71.8 | 174.4 | 171.4 | -179.5 | 0 | 106.7 | ||
| 26 | I | 46 | Very low | 53.5 | Low | 162 Ų | 162 | 128.7 Ų | 128.7 | 83% | 0.831 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.6 | 28.6 | 179.8 | -48.8 | 159 | 0 | 0 | 0 | 115.6 | ||
| 27 | D | 56.9 | Low | 54.9 | Low | 71 Ų | 71 | 127.8 Ų | 127.8 | 38% | 0.38 | 64% | 0.636 | S | S | . | * | trans | -140.7 | 4.5 | 167.3 | -93.5 | -39.6 | 0 | 0 | 0 | 115.7 | I29 K30 F31 | D27-I29 PolarHBondContact O-N 3.28Å; D27-K30 PolarHBondContact O-N 2.88Å; D27-F31 WeakPolarHBondContact O-CB 3.34Å; D27-F31 PolarHBondContact O-N 3.46Å | ||
| 28 | D | 56.2 | Low | 56.3 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.7 | -38.8 | -172.5 | -63.8 | -45.3 | 0 | 0 | 0 | 113.4 | V32 | D28-V32 VanDerWaalsContact O-CB 3.29Å; D28-V32 WeakPolarHBondContact O-CB 3.03Å; D28-V32 WeakPolarHBondContact O-CG2 3.26Å; D28-V32 PolarHBondContact O-N 2.86Å |
| 29 | I | 62.5 | Low | 57.4 | Low | 136 Ų | 136 | 124.4 Ų | 124.4 | 70% | 0.697 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.9 | -41.5 | 179.2 | -65.3 | 173.5 | 0 | 0 | 0 | 111.2 | D27 V32 L33 | D27-I29 PolarHBondContact O-N 3.28Å; I29-V32 PolarHBondContact O-N 3.48Å; I29-L33 HydrophobicContact CG2-CD1 3.92Å; I29-L33 HydrophobicContact CG2-CG 4.47Å; I29-L33 WeakPolarHBondContact O-CB 3.37Å; I29-L33 VanDerWaalsContact O-CG 3.23Å; I29-L33 WeakPolarHBondContact O-CG 3.28Å; I29-L33 PolarHBondContact O-N 3.05Å |
| 30 | K | 64.6 | Low | 58.1 | Low | 149 Ų | 149 | 128.4 Ų | 128.4 | 65% | 0.648 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.2 | -38.1 | 178.2 | -73.8 | -178.2 | -179.4 | 173.3 | 0 | 111.4 | D27 L33 C34 | D27-K30 PolarHBondContact O-N 2.88Å; K30-L33 PolarHBondContact O-N 3.37Å; K30-C34 VanDerWaalsContact O-CB 3.25Å; K30-C34 WeakPolarHBondContact O-CB 3.36Å; K30-C34 PolarHBondContact O-N 3.2Å |
| 31 | F | 67.7 | Low | 58.7 | Low | 101 Ų | 101 | 125.1 Ų | 125.1 | 44% | 0.443 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.6 | -48.1 | 173.5 | -176.7 | -97.3 | 0 | 0 | 0 | 110.9 | I19 D27 L33 C34 W35 | I19-F31 HydrophobicContact CD1-CE2 4.31Å; I19-F31 HydrophobicContact CG2-CE2 4.39Å; D27-F31 WeakPolarHBondContact O-CB 3.34Å; D27-F31 PolarHBondContact O-N 3.46Å; F31-L33 PolarHBondContact O-N 3.02Å; F31-C34 PolarHBondContact O-N 3.36Å; F31-W35 HydrophobicContact CE1-CG 4.47Å; F31-W35 AromaticContact CZ-CD1 3.82Å; F31-W35 WeakPolarHBondContact O-CB 3.23Å; F31-W35 PolarHBondContact O-N 3.39Å |
| 32 | V | 74.1 | Confident | 59.2 | Low | 83 Ų | 83 | 117.7 Ų | 117.7 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -42.1 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | D28 I29 W35 T36 | D28-V32 VanDerWaalsContact O-CB 3.29Å; D28-V32 WeakPolarHBondContact O-CB 3.03Å; D28-V32 WeakPolarHBondContact O-CG2 3.26Å; D28-V32 PolarHBondContact O-N 2.86Å; I29-V32 PolarHBondContact O-N 3.48Å; V32-W35 PolarHBondContact O-N 2.96Å; V32-T36 HydrophobicContact CG1-CG2 4.2Å; V32-T36 VanDerWaalsContact O-CB 3.28Å; V32-T36 WeakPolarHBondContact O-CB 3.43Å; V32-T36 WeakPolarHBondContact O-CG2 3.22Å; V32-T36 PolarHBondContact O-N 3.34Å; V32-T36 PolarHBondContact O-OG1 3.47Å |
| 33 | L | 75.7 | Confident | 59.6 | Low | 102 Ų | 102 | 114.9 Ų | 114.9 | 53% | 0.534 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -43.6 | 175.5 | -74.1 | 168.7 | 0 | 0 | 0 | 112.3 | I29 K30 F31 T36 M37 | I29-L33 HydrophobicContact CG2-CD1 3.92Å; I29-L33 HydrophobicContact CG2-CG 4.47Å; I29-L33 WeakPolarHBondContact O-CB 3.37Å; I29-L33 VanDerWaalsContact O-CG 3.23Å; I29-L33 WeakPolarHBondContact O-CG 3.28Å; I29-L33 PolarHBondContact O-N 3.05Å; K30-L33 PolarHBondContact O-N 3.37Å; F31-L33 PolarHBondContact O-N 3.02Å; L33-T36 WeakPolarHBondContact CA-OG1 3.32Å; L33-T36 PolarHBondContact O-OG1 3.16Å; L33-M37 WeakPolarHBondContact O-CB 3.47Å; L33-M37 VanDerWaalsContact O-CG 3.28Å; L33-M37 WeakPolarHBondContact O-CG 3.49Å; L33-M37 PolarHBondContact O-N 3.41Å |
| 34 | C | 74.5 | Confident | 60 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 48% | 0.48 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 177.2 | -166.5 | 0 | 0 | 0 | 0 | 111.2 | K30 F31 M37 I38 | K30-C34 VanDerWaalsContact O-CB 3.25Å; K30-C34 WeakPolarHBondContact O-CB 3.36Å; K30-C34 PolarHBondContact O-N 3.2Å; F31-C34 PolarHBondContact O-N 3.36Å; C34-M37 PolarHBondContact O-N 2.8Å; C34-I38 WeakPolarHBondContact O-CB 3.42Å; C34-I38 VanDerWaalsContact O-CG1 3.23Å; C34-I38 WeakPolarHBondContact O-CG1 3.36Å; C34-I38 PolarHBondContact O-N 3.04Å |
| 35 | W | 75.2 | Confident | 60.2 | Low | 146 Ų | 146 | 110.4 Ų | 110.4 | 55% | 0.553 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | 179 | -150.2 | 90.9 | 0 | 0 | 0 | 111.5 | F31 V32 I38 V39 | F31-W35 HydrophobicContact CE1-CG 4.47Å; F31-W35 AromaticContact CZ-CD1 3.82Å; F31-W35 WeakPolarHBondContact O-CB 3.23Å; F31-W35 PolarHBondContact O-N 3.39Å; V32-W35 PolarHBondContact O-N 2.96Å; W35-I38 PolarHBondContact O-N 2.85Å; W35-V39 HydrophobicContact CD2-CG2 3.93Å; W35-V39 HydrophobicContact CE3-CB 4.4Å; W35-V39 HydrophobicContact CE3-CG2 3.41Å; W35-V39 VanDerWaalsContact CE3-CG2 3.41Å; W35-V39 HydrophobicContact CH2-CG2 3.73Å; W35-V39 HydrophobicContact CZ2-CG2 4.2Å; W35-V39 HydrophobicContact CZ3-CB 4.42Å; W35-V39 HydrophobicContact CZ3-CG2 3.34Å; W35-V39 WeakPolarHBondContact O-CB 3.47Å; W35-V39 VanDerWaalsContact O-CG2 3.3Å; W35-V39 WeakPolarHBondContact O-CG2 3.49Å; W35-V39 PolarHBondContact O-N 2.81Å |
| 36 | T | 71.5 | Confident | 60.6 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -35 | 174 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | V32 L33 R40 | V32-T36 HydrophobicContact CG1-CG2 4.2Å; V32-T36 VanDerWaalsContact O-CB 3.28Å; V32-T36 WeakPolarHBondContact O-CB 3.43Å; V32-T36 WeakPolarHBondContact O-CG2 3.22Å; V32-T36 PolarHBondContact O-N 3.34Å; V32-T36 PolarHBondContact O-OG1 3.47Å; L33-T36 WeakPolarHBondContact CA-OG1 3.32Å; L33-T36 PolarHBondContact O-OG1 3.16Å; T36-R40 VanDerWaalsContact O-CB 3.24Å; T36-R40 WeakPolarHBondContact O-CB 3.25Å; T36-R40 WeakPolarHBondContact O-CG 3.45Å; T36-R40 PolarHBondContact O-N 3.35Å |
| 37 | M | 69.6 | Low | 61.4 | Low | 136 Ų | 136 | 102.9 Ų | 102.9 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.2 | -44.1 | 172 | -77.4 | -171.5 | 71.8 | 0 | 0 | 112.1 | L33 C34 R40 Q41 | L33-M37 WeakPolarHBondContact O-CB 3.47Å; L33-M37 VanDerWaalsContact O-CG 3.28Å; L33-M37 WeakPolarHBondContact O-CG 3.49Å; L33-M37 PolarHBondContact O-N 3.41Å; C34-M37 PolarHBondContact O-N 2.8Å; M37-R40 PolarHBondContact O-N 3.47Å; M37-Q41 VanDerWaalsContact O-CB 3.31Å; M37-Q41 WeakPolarHBondContact O-CB 3.39Å; M37-Q41 PolarHBondContact O-N 3.48Å |
| 38 | I | 68 | Low | 62.7 | Low | 91 Ų | 91 | 102.1 Ų | 102.1 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 176.6 | -70.1 | 165.8 | 0 | 0 | 0 | 110.1 | C34 W35 Q41 C42 | C34-I38 WeakPolarHBondContact O-CB 3.42Å; C34-I38 VanDerWaalsContact O-CG1 3.23Å; C34-I38 WeakPolarHBondContact O-CG1 3.36Å; C34-I38 PolarHBondContact O-N 3.04Å; W35-I38 PolarHBondContact O-N 2.85Å; I38-Q41 PolarHBondContact O-N 2.87Å; I38-C42 WeakPolarHBondContact O-CB 3.35Å; I38-C42 PolarHBondContact O-N 3.3Å |
| 39 | V | 62 | Low | 64.5 | Low | 53 Ų | 53 | 97 Ų | 97 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | W35 Q41 C42 V43 | W35-V39 HydrophobicContact CD2-CG2 3.93Å; W35-V39 HydrophobicContact CE3-CB 4.4Å; W35-V39 HydrophobicContact CE3-CG2 3.41Å; W35-V39 VanDerWaalsContact CE3-CG2 3.41Å; W35-V39 HydrophobicContact CH2-CG2 3.73Å; W35-V39 HydrophobicContact CZ2-CG2 4.2Å; W35-V39 HydrophobicContact CZ3-CB 4.42Å; W35-V39 HydrophobicContact CZ3-CG2 3.34Å; W35-V39 WeakPolarHBondContact O-CB 3.47Å; W35-V39 VanDerWaalsContact O-CG2 3.3Å; W35-V39 WeakPolarHBondContact O-CG2 3.49Å; W35-V39 PolarHBondContact O-N 2.81Å; V39-Q41 PolarHBondContact O-N 2.97Å; V39-C42 PolarHBondContact O-N 3.4Å; V39-V43 HydrophobicContact CG1-CG2 3.93Å; V39-V43 WeakPolarHBondContact O-CB 3.27Å; V39-V43 WeakPolarHBondContact O-CG2 3.42Å; V39-V43 PolarHBondContact O-N 3Å |
| 40 | R | 55.2 | Low | 66.2 | Low | 186 Ų | 186 | 91.3 Ų | 91.3 | 70% | 0.702 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.5 | -48 | 172.4 | -91.2 | -175.2 | 162.9 | 179.5 | -3.3 | 111.3 | T36 M37 C42 V43 I44 | T36-R40 VanDerWaalsContact O-CB 3.24Å; T36-R40 WeakPolarHBondContact O-CB 3.25Å; T36-R40 WeakPolarHBondContact O-CG 3.45Å; T36-R40 PolarHBondContact O-N 3.35Å; M37-R40 PolarHBondContact O-N 3.47Å; R40-C42 VanDerWaalsContact C-N 3.35Å; R40-C42 PolarHBondContact O-N 3.24Å; R40-V43 PolarHBondContact O-N 2.79Å; R40-I44 HydrophobicContact CB-CD1 4.47Å; R40-I44 VanDerWaalsContact O-CB 3.24Å; R40-I44 WeakPolarHBondContact O-CB 3.44Å; R40-I44 VanDerWaalsContact O-CD1 3.27Å; R40-I44 WeakPolarHBondContact O-CD1 3.34Å; R40-I44 WeakPolarHBondContact O-CG1 3.35Å; R40-I44 PolarHBondContact O-N 2.77Å |
| 41 | Q | 50.7 | Low | 67.8 | Low | 108 Ų | 108 | 84.2 Ų | 84.2 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | -179.4 | -166.6 | 64 | 30 | 0 | 0 | 111.7 | M37 I38 V39 I44 Q45 | M37-Q41 VanDerWaalsContact O-CB 3.31Å; M37-Q41 WeakPolarHBondContact O-CB 3.39Å; M37-Q41 PolarHBondContact O-N 3.48Å; I38-Q41 PolarHBondContact O-N 2.87Å; V39-Q41 PolarHBondContact O-N 2.97Å; Q41-I44 PolarHBondContact O-N 3.36Å; Q41-Q45 WeakPolarHBondContact O-CB 3.19Å; Q41-Q45 PolarHBondContact O-N 3.42Å |
| 42 | C | 50.3 | Low | 69.3 | Low | 46 Ų | 46 | 79.4 Ų | 79.4 | 31% | 0.311 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 177.7 | -155.5 | 0 | 0 | 0 | 0 | 110.8 | I38 V39 R40 Q45 C46 | I38-C42 WeakPolarHBondContact O-CB 3.35Å; I38-C42 PolarHBondContact O-N 3.3Å; V39-C42 PolarHBondContact O-N 3.4Å; R40-C42 VanDerWaalsContact C-N 3.35Å; R40-C42 PolarHBondContact O-N 3.24Å; C42-Q45 CarbonylContact O-C 3.59Å; C42-Q45 PolarHBondContact O-N 2.82Å; C42-C46 WeakPolarHBondContact O-CB 3.41Å; C42-C46 PolarHBondContact O-N 3.04Å; C42-C46 PolarHBondContact O-SG 3.22Å |
| 43 | V | 48.5 | Very low | 70.4 | Confident | 72 Ų | 72 | 75.6 Ų | 75.6 | 44% | 0.436 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 111 | V39 R40 Q45 C46 N47 | V39-V43 HydrophobicContact CG1-CG2 3.93Å; V39-V43 WeakPolarHBondContact O-CB 3.27Å; V39-V43 WeakPolarHBondContact O-CG2 3.42Å; V39-V43 PolarHBondContact O-N 3Å; R40-V43 PolarHBondContact O-N 2.79Å; V43-Q45 VanDerWaalsContact C-N 3.3Å; V43-Q45 PolarHBondContact O-N 3.38Å; V43-C46 PolarHBondContact O-N 3.45Å; V43-N47 WeakPolarHBondContact O-CB 3.44Å; V43-N47 VanDerWaalsContact O-CG 3.27Å; V43-N47 PolarHBondContact O-N 3.5Å; V43-N47 VanDerWaalsContact O-N 3.15Å |
| 44 | I | 46 | Very low | 71.4 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 52% | 0.518 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 175.9 | -70.6 | 163.3 | 0 | 0 | 0 | 110.5 | R40 Q41 V48 | R40-I44 HydrophobicContact CB-CD1 4.47Å; R40-I44 VanDerWaalsContact O-CB 3.24Å; R40-I44 WeakPolarHBondContact O-CB 3.44Å; R40-I44 VanDerWaalsContact O-CD1 3.27Å; R40-I44 WeakPolarHBondContact O-CD1 3.34Å; R40-I44 WeakPolarHBondContact O-CG1 3.35Å; R40-I44 PolarHBondContact O-N 2.77Å; Q41-I44 PolarHBondContact O-N 3.36Å; I44-V48 WeakPolarHBondContact O-CG2 3.3Å |
| 45 | Q | 45.8 | Very low | 72.4 | Confident | 131 Ų | 131 | 67.4 Ų | 67.4 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -84.3 | -24.9 | -178.1 | -160.2 | 157.1 | -15.8 | 0 | 0 | 113.2 | Q41 C42 V43 | Q41-Q45 WeakPolarHBondContact O-CB 3.19Å; Q41-Q45 PolarHBondContact O-N 3.42Å; C42-Q45 CarbonylContact O-C 3.59Å; C42-Q45 PolarHBondContact O-N 2.82Å; V43-Q45 VanDerWaalsContact C-N 3.3Å; V43-Q45 PolarHBondContact O-N 3.38Å |
| 46 | C | 50.8 | Low | 73.1 | Confident | 94 Ų | 94 | 61 Ų | 61 | 64% | 0.635 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -80.6 | -20.6 | 176.2 | -73.7 | 0 | 0 | 0 | 0 | 113.5 | C42 V43 | C42-C46 WeakPolarHBondContact O-CB 3.41Å; C42-C46 PolarHBondContact O-N 3.04Å; C42-C46 PolarHBondContact O-SG 3.22Å; V43-C46 PolarHBondContact O-N 3.45Å |
| 47 | N | 63.4 | Low | 74 | Confident | 105 Ų | 105 | 61.5 Ų | 61.5 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -96.3 | 4.5 | -176.5 | -70.8 | -4 | 0 | 0 | 0 | 114.6 | V43 A49 | V43-N47 WeakPolarHBondContact O-CB 3.44Å; V43-N47 VanDerWaalsContact O-CG 3.27Å; V43-N47 PolarHBondContact O-N 3.5Å; V43-N47 VanDerWaalsContact O-N 3.15Å; N47-A49 PolarHBondContact O-N 2.91Å |
| 48 | V | 84.4 | Confident | 74.9 | Confident | 56 Ų | 56 | 57 Ų | 57 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | trans | -84.4 | 105 | 178.7 | -170.2 | 0 | 0 | 0 | 0 | 110 | I44 Y50 | I44-V48 WeakPolarHBondContact O-CG2 3.3Å; V48-Y50 HydrophobicContact CB-CE2 4.24Å; V48-Y50 HydrophobicContact CG1-CE1 4.34Å; V48-Y50 HydrophobicContact CG1-CE2 3.73Å; V48-Y50 VanDerWaalsContact O-CE2 3.25Å; V48-Y50 WeakPolarHBondContact O-CE2 3.23Å | ||
| 49 | A | 95.1 | Very high | 76.1 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 5% | 0.05 | 30% | 0.303 | C | S | . | . | trans | -99.2 | 156.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N47 R79 T80 P203 P207 | N47-A49 PolarHBondContact O-N 2.91Å; A49-R79 HydrophobicContact CB-CG 3.83Å; A49-R79 CarbonylContact O-C 3.54Å; A49-R79 WeakPolarHBondContact O-CA 3.42Å; A49-R79 WeakPolarHBondContact O-CB 3.32Å; A49-T80 PolarHBondContact O-N 2.78Å; A49-P203 HydrophobicContact CB-CB 4.06Å; A49-P207 CarbonylContact C-O 3.53Å; A49-P207 WeakPolarHBondContact CA-O 3.5Å | ||
| 50 | Y | 98 | Very high | 77.6 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154 | -171.2 | -61.8 | -99.4 | 0 | 0 | 0 | 111.8 | V48 T80 V82 I125 F130 I138 P207 V208 L209 | V48-Y50 HydrophobicContact CB-CE2 4.24Å; V48-Y50 HydrophobicContact CG1-CE1 4.34Å; V48-Y50 HydrophobicContact CG1-CE2 3.73Å; V48-Y50 VanDerWaalsContact O-CE2 3.25Å; V48-Y50 WeakPolarHBondContact O-CE2 3.23Å; Y50-T80 CarbonylContact C-O 3.48Å; Y50-T80 VanDerWaalsContact CA-O 3.3Å; Y50-T80 WeakPolarHBondContact CA-O 3.01Å; Y50-T80 HydrophobicContact CD1-CG2 3.89Å; Y50-T80 HydrophobicContact CE1-CG2 3.88Å; Y50-V82 HydrophobicContact CD1-CG2 3.92Å; Y50-V82 HydrophobicContact CG-CG2 4.42Å; Y50-I125 HydrophobicContact CD1-CG2 4.18Å; Y50-I125 HydrophobicContact CE1-CG2 4.11Å; Y50-F130 AromaticContact CD1-CD2 3.69Å; Y50-F130 HydrophobicContact CD1-CD2 3.69Å; Y50-F130 AromaticContact CD1-CE2 3.61Å; Y50-F130 HydrophobicContact CD1-CE2 3.61Å; Y50-F130 AromaticContact CD2-CE2 3.96Å; Y50-F130 HydrophobicContact CD2-CE2 3.96Å; Y50-F130 AromaticContact CE1-CD2 3.93Å; Y50-F130 HydrophobicContact CE1-CD2 3.93Å; Y50-F130 HydrophobicContact CE1-CE2 4.05Å; Y50-F130 HydrophobicContact CE2-CE2 4.39Å; Y50-F130 HydrophobicContact CG-CD2 4.14Å; Y50-F130 AromaticContact CG-CE2 3.56Å; Y50-F130 HydrophobicContact CG-CE2 3.56Å; Y50-F130 HydrophobicContact CG-CZ 4.49Å; Y50-I138 HydrophobicContact CD2-CD1 3.38Å; Y50-I138 HydrophobicContact CE2-CD1 3.23Å; Y50-I138 HydrophobicContact CG-CD1 4.42Å; Y50-P207 PolarHBondContact N-O 2.84Å; Y50-V208 WeakPolarHBondContact O-CA 3.45Å; Y50-L209 PolarHBondContact O-N 3.06Å |
| 51 | I | 98.2 | Very high | 79.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.3 | 166.7 | -60.3 | 162 | 0 | 0 | 0 | 107.5 | M70 F73 A74 I77 R79 T80 L81 V82 L209 F211 | I51-M70 HydrophobicContact CG2-CE 3.64Å; I51-F73 HydrophobicContact CD1-CD1 4.03Å; I51-F73 HydrophobicContact CD1-CE1 4.09Å; I51-A74 HydrophobicContact CD1-CB 3.81Å; I51-I77 HydrophobicContact CD1-CD1 3.61Å; I51-I77 HydrophobicContact CD1-CG1 3.76Å; I51-I77 HydrophobicContact CG1-CD1 4.09Å; I51-R79 HydrophobicContact CD1-CB 3.83Å; I51-R79 HydrophobicContact CG1-CB 3.71Å; I51-R79 HydrophobicContact CG1-CG 4.44Å; I51-T80 PolarHBondContact N-O 2.95Å; I51-L81 HydrophobicContact CB-CD1 4.13Å; I51-L81 HydrophobicContact CG2-CD1 4.07Å; I51-V82 VanDerWaalsContact O-CB 3.27Å; I51-V82 WeakPolarHBondContact O-CB 3.38Å; I51-V82 WeakPolarHBondContact O-CG2 3.45Å; I51-V82 PolarHBondContact O-N 2.85Å; I51-L209 WeakPolarHBondContact CA-O 3.28Å; I51-L209 HydrophobicContact CG1-CB 4.43Å; I51-F211 HydrophobicContact CG2-CD2 3.98Å; I51-F211 HydrophobicContact CG2-CE2 3.91Å |
| 52 | T | 98.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.7 | 169.5 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | W172 V208 L209 A210 F211 | T52-W172 HydrophobicContact CG2-CH2 4.2Å; T52-V208 HydrophobicContact CG2-CG1 3.86Å; T52-L209 PolarHBondContact N-O 3.02Å; T52-L209 VanDerWaalsContact O-O 3.06Å; T52-A210 HydrophobicContact CG2-CB 3.6Å; T52-A210 CarbonylContact O-C 3.6Å; T52-A210 WeakPolarHBondContact O-CA 3.37Å; T52-F211 PolarHBondContact O-N 3.25Å |
| 53 | Y | 98.2 | Very high | 83.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 157.4 | -179 | 71.6 | -78.6 | 0 | 0 | 0 | 111.5 | P55 F67 M70 L81 P84 F171 F211 P214 | Y53-P55 HydrophobicContact CE2-CB 4.1Å; Y53-F67 WeakPolarHBondContact OH-CD2 3.37Å; Y53-M70 HydrophobicContact CD1-CE 3.87Å; Y53-M70 HydrophobicContact CD1-CG 4.18Å; Y53-M70 HydrophobicContact CE1-CB 4.18Å; Y53-M70 HydrophobicContact CE1-CE 4.33Å; Y53-M70 HydrophobicContact CE1-CG 3.85Å; Y53-M70 HydrophobicContact CE2-CG 4.23Å; Y53-M70 HydrophobicContact CG-CE 4.3Å; Y53-L81 HydrophobicContact CD1-CD1 4.3Å; Y53-L81 HydrophobicContact CE1-CD1 4.19Å; Y53-P84 HydrophobicContact CD1-CG 4.32Å; Y53-P84 HydrophobicContact CE1-CG 3.68Å; Y53-P84 HydrophobicContact CE2-CG 3.91Å; Y53-P84 VanDerWaalsContact CZ-CG 3.45Å; Y53-F171 WeakPolarHBondContact O-CZ 3.46Å; Y53-F211 VanDerWaalsContact CA-O 3.26Å; Y53-F211 WeakPolarHBondContact CA-O 3.38Å; Y53-P214 HydrophobicContact CD2-CB 3.61Å; Y53-P214 HydrophobicContact CD2-CG 4.16Å; Y53-P214 HydrophobicContact CE2-CB 3.83Å; Y53-P214 HydrophobicContact CE2-CG 4.28Å; Y53-P214 HydrophobicContact CG-CB 4.33Å |
| 54 | C | 96.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -86 | 127.8 | 165.5 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | C56 F171 W172 F211 G213 P214 | C54-C56 HydrophobicContact CB-CB 3.87Å; C54-C56 WeakPolarHBondContact CB-SG 3.44Å; C54-C56 PolarHBondContact O-N 3.38Å; C54-C56 VanDerWaalsContact SG-CA 3.6Å; C54-C56 WeakPolarHBondContact SG-CB 3.48Å; C54-C56 PolarHBondContact SG-N 3.3Å; C54-C56 CovalentContact SG-SG 2.02Å; C54-C56 PolarHBondContact SG-SG 3.48Å; C54-F171 HydrophobicContact CB-CD1 3.55Å; C54-F171 HydrophobicContact CB-CE1 3.76Å; C54-F171 HydrophobicContact CB-CG 3.99Å; C54-F171 HydrophobicContact CB-CZ 4.34Å; C54-F171 WeakPolarHBondContact SG-CG 3.36Å; C54-W172 HydrophobicContact CB-CZ2 4.29Å; C54-F211 PolarHBondContact N-O 2.99Å; C54-G213 WeakPolarHBondContact O-CA 3.4Å; C54-P214 WeakPolarHBondContact O-CD 3.4Å | ||
| 55 | P | 95.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | trans | -76.1 | 57.6 | 168 | 33 | -32.4 | 0 | 0 | 0 | 110.6 | Y53 M57 Q63 P84 P85 F171 | Y53-P55 HydrophobicContact CE2-CB 4.1Å; P55-M57 VanDerWaalsContact C-N 3.34Å; P55-M57 PolarHBondContact O-N 3.37Å; P55-Q63 HydrophobicContact CB-CB 4.43Å; P55-Q63 HydrophobicContact CB-CG 4.02Å; P55-P84 HydrophobicContact CB-CG 4.43Å; P55-P84 HydrophobicContact CG-CB 3.97Å; P55-P84 HydrophobicContact CG-CG 3.99Å; P55-P85 VanDerWaalsContact CG-O 3.27Å; P55-P85 WeakPolarHBondContact CG-O 3.45Å; P55-F171 VanDerWaalsContact CD-CE2 3.47Å; P55-F171 HydrophobicContact CG-CE2 4.3Å | ||
| 56 | C | 89.7 | Confident | 91 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 9% | 0.088 | 15% | 0.154 | C | C | . | . | trans | -87.4 | 8 | -166 | -88.5 | 0 | 0 | 0 | 0 | 114.4 | C54 P167 F168 | C54-C56 HydrophobicContact CB-CB 3.87Å; C54-C56 WeakPolarHBondContact CB-SG 3.44Å; C54-C56 PolarHBondContact O-N 3.38Å; C54-C56 VanDerWaalsContact SG-CA 3.6Å; C54-C56 WeakPolarHBondContact SG-CB 3.48Å; C54-C56 PolarHBondContact SG-N 3.3Å; C54-C56 CovalentContact SG-SG 2.02Å; C54-C56 PolarHBondContact SG-SG 3.48Å; C56-P167 HydrophobicContact CB-CG 3.99Å; C56-F168 HydrophobicContact CB-CD1 3.74Å; C56-F168 HydrophobicContact CB-CE1 3.44Å; C56-F168 VanDerWaalsContact CB-CE1 3.44Å; C56-F168 HydrophobicContact CB-CE2 4.36Å; C56-F168 HydrophobicContact CB-CG 4.31Å; C56-F168 HydrophobicContact CB-CZ 3.78Å; C56-F168 VanDerWaalsContact SG-CA 3.51Å; C56-F168 WeakPolarHBondContact SG-CD1 3.48Å | ||
| 57 | M | 90.6 | Very high | 93.2 | Very high | 74 Ų | 74 | 22.6 Ų | 22.6 | 37% | 0.365 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -119.6 | 117.1 | -179.2 | -167.8 | -173.6 | 85.4 | 0 | 0 | 111.8 | P55 N62 Q66 F218 | P55-M57 VanDerWaalsContact C-N 3.34Å; P55-M57 PolarHBondContact O-N 3.37Å; M57-N62 WeakPolarHBondContact O-CB 3.31Å; M57-Q66 HydrophobicContact CE-CG 4.33Å; M57-F218 HydrophobicContact CE-CB 3.57Å; M57-F218 HydrophobicContact CE-CD1 3.58Å; M57-F218 HydrophobicContact CE-CD2 3.76Å; M57-F218 HydrophobicContact CE-CE1 4.24Å; M57-F218 HydrophobicContact CE-CE2 4.41Å; M57-F218 HydrophobicContact CE-CG 3.31Å |
| 58 | G | 88.9 | Confident | 94.8 | Very high | 42 Ų | 42 | 17.6 Ų | 17.6 | 43% | 0.433 | 10% | 0.097 | S | C | . | . | S | Bend | trans | 71.2 | -165.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q63 | G58-Q63 PolarHBondContact O-NE2 2.84Å; G58-Q63 VanDerWaalsContact O-NE2 3.16Å |
| 59 | R | 91.4 | Very high | 95.4 | Very high | 107 Ų | 107 | 15.3 Ų | 15.3 | 40% | 0.404 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -98 | -175.5 | -178.4 | -61.3 | -174.7 | -171.6 | 128.1 | 9.3 | 110.7 | G61 N62 Q63 D263 | R59-G61 VanDerWaalsContact C-N 3.26Å; R59-G61 PolarHBondContact O-N 3.43Å; R59-N62 PolarHBondContact N-OD1 2.91Å; R59-N62 VanDerWaalsContact N-OD1 3.1Å; R59-N62 WeakPolarHBondContact O-CA 3.35Å; R59-N62 WeakPolarHBondContact O-CB 3.22Å; R59-N62 PolarHBondContact O-N 2.68Å; R59-Q63 PolarHBondContact O-N 3.13Å; R59-D263 IonicContact CZ-OD2 2.9Å; R59-D263 IonicContact NH1-OD2 3.27Å; R59-D263 PolarHBondContact NH1-OD2 3.48Å; R59-D263 IonicContact NH2-OD2 2.75Å; R59-D263 PolarHBondContact NH2-OD2 3.09Å |
| 60 | L | 93.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 15 Ų | 15 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -44.7 | -44.4 | -174.9 | -176.5 | 57.7 | 0 | 0 | 0 | 114.3 | N62 Q63 I64 W86 I88 L112 E358 L361 | L60-N62 PolarHBondContact O-N 2.48Å; L60-Q63 PolarHBondContact O-N 2.79Å; L60-I64 HydrophobicContact CD1-CD1 4.04Å; L60-I64 HydrophobicContact CD1-CG1 4.18Å; L60-I64 HydrophobicContact CG-CD1 3.97Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 3.41Å; L60-W86 HydrophobicContact CD1-CD2 4.07Å; L60-W86 HydrophobicContact CD1-CE3 3.8Å; L60-W86 HydrophobicContact CD1-CG 4.43Å; L60-W86 HydrophobicContact CD1-CZ3 4.33Å; L60-I88 HydrophobicContact CB-CD1 4.28Å; L60-I88 HydrophobicContact CD1-CD1 4.14Å; L60-I88 HydrophobicContact CD2-CD1 4.29Å; L60-I88 HydrophobicContact CG-CD1 4.48Å; L60-L112 HydrophobicContact CD1-CD1 3.99Å; L60-L112 HydrophobicContact CD2-CD1 4.33Å; L60-E358 HydrophobicContact CD2-CB 4.13Å; L60-L361 HydrophobicContact CD2-CD1 3.61Å; L60-L361 HydrophobicContact CG-CD1 4.14Å |
| 61 | G | 95.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R59 E65 | R59-G61 VanDerWaalsContact C-N 3.26Å; R59-G61 PolarHBondContact O-N 3.43Å; G61-E65 VanDerWaalsContact O-CG 3.23Å; G61-E65 WeakPolarHBondContact O-CG 3.32Å; G61-E65 PolarHBondContact O-N 3.19Å; G61-E65 VanDerWaalsContact O-N 3.16Å |
| 62 | N | 95.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 15.2 Ų | 15.2 | 16% | 0.16 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 175 | -55.8 | 93.3 | 0 | 0 | 0 | 111.6 | M57 R59 L60 I64 E65 Q66 F218 T377 | M57-N62 WeakPolarHBondContact O-CB 3.31Å; R59-N62 PolarHBondContact N-OD1 2.91Å; R59-N62 VanDerWaalsContact N-OD1 3.1Å; R59-N62 WeakPolarHBondContact O-CA 3.35Å; R59-N62 WeakPolarHBondContact O-CB 3.22Å; R59-N62 PolarHBondContact O-N 2.68Å; L60-N62 PolarHBondContact O-N 2.48Å; N62-I64 VanDerWaalsContact C-N 3.33Å; N62-I64 PolarHBondContact O-N 3.08Å; N62-E65 WeakPolarHBondContact O-CB 3.34Å; N62-E65 PolarHBondContact O-N 3.34Å; N62-Q66 WeakPolarHBondContact O-CG 3.34Å; N62-Q66 PolarHBondContact O-N 2.88Å; N62-F218 HydrophobicContact CB-CE2 4.09Å; N62-F218 WeakPolarHBondContact ND2-CE2 3.08Å; N62-F218 WeakPolarHBondContact ND2-CZ 3.21Å; N62-T377 PolarHBondContact N-OG1 3.09Å |
| 63 | Q | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | -179 | -64.7 | 171 | 39.2 | 0 | 0 | 111.3 | P55 G58 R59 L60 F67 W86 N87 | P55-Q63 HydrophobicContact CB-CB 4.43Å; P55-Q63 HydrophobicContact CB-CG 4.02Å; G58-Q63 PolarHBondContact O-NE2 2.84Å; G58-Q63 VanDerWaalsContact O-NE2 3.16Å; R59-Q63 PolarHBondContact O-N 3.13Å; L60-Q63 PolarHBondContact O-N 2.79Å; Q63-F67 WeakPolarHBondContact O-CB 3.35Å; Q63-F67 PolarHBondContact O-N 2.79Å; Q63-W86 HydrophobicContact CB-CE3 3.98Å; Q63-W86 HydrophobicContact CB-CZ3 3.95Å; Q63-N87 PolarHBondContact NE2-O 2.86Å |
| 64 | I | 97 | Very high | 95.3 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 173.2 | -69.2 | 167.4 | 0 | 0 | 0 | 110.5 | L60 N62 Q66 F67 L68 W86 F113 L231 L361 A381 | L60-I64 HydrophobicContact CD1-CD1 4.04Å; L60-I64 HydrophobicContact CD1-CG1 4.18Å; L60-I64 HydrophobicContact CG-CD1 3.97Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 3.41Å; N62-I64 VanDerWaalsContact C-N 3.33Å; N62-I64 PolarHBondContact O-N 3.08Å; I64-Q66 VanDerWaalsContact C-N 3.32Å; I64-Q66 PolarHBondContact O-N 3.02Å; I64-F67 PolarHBondContact O-N 3.49Å; I64-L68 WeakPolarHBondContact O-CG 3.39Å; I64-L68 PolarHBondContact O-N 3.46Å; I64-L68 VanDerWaalsContact O-N 3.08Å; I64-W86 HydrophobicContact CG1-CH2 4.19Å; I64-W86 HydrophobicContact CG1-CZ3 4.1Å; I64-F113 HydrophobicContact CD1-CZ 4.2Å; I64-L231 HydrophobicContact CG2-CD1 4.11Å; I64-L361 HydrophobicContact CD1-CD1 4.42Å; I64-A381 HydrophobicContact CD1-CB 4.12Å; I64-A381 HydrophobicContact CG2-CB 4.38Å |
| 65 | E | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53.7 | -49.3 | 177.5 | -66.8 | -82.4 | 172 | 0 | 0 | 111.7 | G61 N62 L68 F218 V220 S280 T377 A380 R384 | G61-E65 VanDerWaalsContact O-CG 3.23Å; G61-E65 WeakPolarHBondContact O-CG 3.32Å; G61-E65 PolarHBondContact O-N 3.19Å; G61-E65 VanDerWaalsContact O-N 3.16Å; N62-E65 WeakPolarHBondContact O-CB 3.34Å; N62-E65 PolarHBondContact O-N 3.34Å; E65-L68 PolarHBondContact O-N 3.42Å; E65-F218 HydrophobicContact CB-CD2 4.06Å; E65-F218 HydrophobicContact CB-CE2 4.33Å; E65-F218 HydrophobicContact CG-CD2 4.48Å; E65-F218 HydrophobicContact CG-CE2 4.3Å; E65-V220 HydrophobicContact CB-CB 4.47Å; E65-V220 WeakPolarHBondContact O-CB 3.33Å; E65-V220 WeakPolarHBondContact OE2-CB 3.15Å; E65-V220 WeakPolarHBondContact OE2-CG1 2.98Å; E65-V220 PolarHBondContact OE2-N 3.39Å; E65-S280 PolarHBondContact OE1-OG 3.05Å; E65-T377 HydrophobicContact CG-CG2 4.15Å; E65-A380 VanDerWaalsContact OE1-CB 3.23Å; E65-A380 WeakPolarHBondContact OE1-CB 3.15Å; E65-R384 IonicContact OE1-CZ 3.85Å; E65-R384 VanDerWaalsContact OE1-CZ 3.27Å; E65-R384 IonicContact OE1-NH1 3.53Å; E65-R384 PolarHBondContact OE1-NH1 3.4Å; E65-R384 IonicContact OE1-NH2 3.69Å; E65-R384 PolarHBondContact OE1-NH2 3.24Å; E65-R384 IonicContact OE2-CZ 2.8Å; E65-R384 IonicContact OE2-NH1 3.74Å; E65-R384 IonicContact OE2-NH2 2.68Å |
| 66 | Q | 97.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | -179.8 | -68 | 179.1 | -51.1 | 0 | 0 | 112.3 | M57 N62 I64 L68 G69 M70 P214 S216 F218 | M57-Q66 HydrophobicContact CE-CG 4.33Å; N62-Q66 WeakPolarHBondContact O-CG 3.34Å; N62-Q66 PolarHBondContact O-N 2.88Å; I64-Q66 VanDerWaalsContact C-N 3.32Å; I64-Q66 PolarHBondContact O-N 3.02Å; Q66-L68 VanDerWaalsContact C-N 3.29Å; Q66-L68 PolarHBondContact O-N 3.26Å; Q66-G69 PolarHBondContact O-N 3.43Å; Q66-G69 VanDerWaalsContact O-N 3.09Å; Q66-M70 WeakPolarHBondContact O-CG 3.38Å; Q66-M70 PolarHBondContact O-N 3.04Å; Q66-P214 HydrophobicContact CB-CB 4.07Å; Q66-P214 HydrophobicContact CB-CG 3.6Å; Q66-P214 HydrophobicContact CG-CG 3.86Å; Q66-P214 VanDerWaalsContact NE2-CG 3.35Å; Q66-S216 WeakPolarHBondContact CA-OG 3.36Å; Q66-S216 WeakPolarHBondContact CB-OG 3.36Å; Q66-S216 PolarHBondContact O-OG 2.97Å; Q66-F218 HydrophobicContact CG-CB 4.43Å |
| 67 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -40.3 | 176.5 | 173.1 | -108.7 | 0 | 0 | 0 | 112.3 | Y53 Q63 I64 G69 M70 I71 L81 L83 W86 F109 L118 L231 | Y53-F67 WeakPolarHBondContact OH-CD2 3.37Å; Q63-F67 WeakPolarHBondContact O-CB 3.35Å; Q63-F67 PolarHBondContact O-N 2.79Å; I64-F67 PolarHBondContact O-N 3.49Å; F67-G69 VanDerWaalsContact C-N 3.29Å; F67-G69 PolarHBondContact O-N 2.77Å; F67-M70 WeakPolarHBondContact O-CA 3.38Å; F67-M70 WeakPolarHBondContact O-CB 3.43Å; F67-M70 PolarHBondContact O-N 2.98Å; F67-I71 HydrophobicContact CD1-CD1 4.11Å; F67-I71 HydrophobicContact CE1-CD1 3.46Å; F67-I71 VanDerWaalsContact CE1-CD1 3.46Å; F67-I71 HydrophobicContact CE1-CG1 4.06Å; F67-I71 HydrophobicContact CE2-CD1 4.44Å; F67-I71 HydrophobicContact CE2-CG1 4.16Å; F67-I71 HydrophobicContact CZ-CD1 3.67Å; F67-I71 HydrophobicContact CZ-CG1 3.84Å; F67-I71 PolarHBondContact O-N 2.93Å; F67-L81 HydrophobicContact CD2-CD2 4.41Å; F67-L81 HydrophobicContact CE2-CD2 3.89Å; F67-L83 HydrophobicContact CE2-CD2 3.51Å; F67-L83 HydrophobicContact CZ-CD2 3.86Å; F67-W86 HydrophobicContact CB-CH2 4.34Å; F67-W86 HydrophobicContact CD1-CH2 4.33Å; F67-W86 HydrophobicContact CG-CH2 4.25Å; F67-F109 HydrophobicContact CD2-CE2 4.34Å; F67-F109 HydrophobicContact CE1-CE2 4.04Å; F67-F109 HydrophobicContact CE1-CZ 4Å; F67-F109 AromaticContact CE2-CE2 3.83Å; F67-F109 HydrophobicContact CE2-CE2 3.83Å; F67-F109 HydrophobicContact CE2-CZ 4.34Å; F67-F109 AromaticContact CZ-CE2 3.65Å; F67-F109 HydrophobicContact CZ-CE2 3.65Å; F67-F109 AromaticContact CZ-CZ 3.71Å; F67-F109 HydrophobicContact CZ-CZ 3.71Å; F67-L118 HydrophobicContact CZ-CD1 4.1Å; F67-L231 HydrophobicContact CD1-CD1 4.07Å; F67-L231 HydrophobicContact CD1-CD2 4.08Å; F67-L231 HydrophobicContact CD1-CG 4.48Å; F67-L231 HydrophobicContact CE1-CD1 4.2Å; F67-L231 HydrophobicContact CE1-CD2 3.49Å; F67-L231 VanDerWaalsContact CE1-CD2 3.49Å; F67-L231 HydrophobicContact CE1-CG 4.1Å; F67-L231 HydrophobicContact CZ-CD2 4.43Å |
| 68 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -37.9 | 175.9 | -63.1 | -176.8 | 0 | 0 | 0 | 112.2 | I64 E65 Q66 I71 A72 V220 F227 H228 L231 | I64-L68 WeakPolarHBondContact O-CG 3.39Å; I64-L68 PolarHBondContact O-N 3.46Å; I64-L68 VanDerWaalsContact O-N 3.08Å; E65-L68 PolarHBondContact O-N 3.42Å; Q66-L68 VanDerWaalsContact C-N 3.29Å; Q66-L68 PolarHBondContact O-N 3.26Å; L68-I71 HydrophobicContact CD2-CD1 4.42Å; L68-A72 PolarHBondContact O-N 3.33Å; L68-V220 HydrophobicContact CB-CB 4.49Å; L68-V220 HydrophobicContact CB-CG2 3.62Å; L68-V220 HydrophobicContact CD1-CG1 4.38Å; L68-V220 HydrophobicContact CD1-CG2 4.37Å; L68-F227 HydrophobicContact CD2-CB 3.92Å; L68-H228 HydrophobicContact CD1-CB 4.05Å; L68-H228 HydrophobicContact CD2-CB 4.26Å; L68-L231 HydrophobicContact CD2-CD1 3.84Å |
| 69 | G | 96.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 8% | 0.082 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.3 | -35.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | Q66 F67 I71 A72 F73 | Q66-G69 PolarHBondContact O-N 3.43Å; Q66-G69 VanDerWaalsContact O-N 3.09Å; F67-G69 VanDerWaalsContact C-N 3.29Å; F67-G69 PolarHBondContact O-N 2.77Å; G69-I71 VanDerWaalsContact C-N 3.35Å; G69-I71 PolarHBondContact O-N 3.24Å; G69-A72 WeakPolarHBondContact O-CB 3.27Å; G69-A72 PolarHBondContact O-N 2.95Å; G69-F73 PolarHBondContact O-N 3.32Å |
| 70 | M | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66 | -34.1 | 175.6 | -70.9 | -55.1 | -57.3 | 0 | 0 | 113.2 | I51 Y53 Q66 F67 F73 A74 L81 P214 P215 | I51-M70 HydrophobicContact CG2-CE 3.64Å; Y53-M70 HydrophobicContact CD1-CE 3.87Å; Y53-M70 HydrophobicContact CD1-CG 4.18Å; Y53-M70 HydrophobicContact CE1-CB 4.18Å; Y53-M70 HydrophobicContact CE1-CE 4.33Å; Y53-M70 HydrophobicContact CE1-CG 3.85Å; Y53-M70 HydrophobicContact CE2-CG 4.23Å; Y53-M70 HydrophobicContact CG-CE 4.3Å; Q66-M70 WeakPolarHBondContact O-CG 3.38Å; Q66-M70 PolarHBondContact O-N 3.04Å; F67-M70 WeakPolarHBondContact O-CA 3.38Å; F67-M70 WeakPolarHBondContact O-CB 3.43Å; F67-M70 PolarHBondContact O-N 2.98Å; M70-F73 HydrophobicContact CE-CD1 4.09Å; M70-A74 VanDerWaalsContact O-CB 3.26Å; M70-A74 WeakPolarHBondContact O-CB 3.4Å; M70-A74 PolarHBondContact O-N 3.34Å; M70-L81 HydrophobicContact CB-CD1 4.41Å; M70-L81 HydrophobicContact CB-CD2 4.1Å; M70-L81 HydrophobicContact CE-CD1 4.04Å; M70-P214 HydrophobicContact CG-CB 3.67Å; M70-P214 HydrophobicContact SD-CB 3.66Å; M70-P215 HydrophobicContact CE-CG 4.15Å; M70-P215 WeakPolarHBondContact SD-CD 2.96Å; M70-P215 HydrophobicContact SD-CG 3.85Å |
| 71 | I | 97.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59 | -51.6 | 171.2 | -67.2 | 170.2 | 0 | 0 | 0 | 109.5 | F67 L68 G69 F73 A74 I75 L81 L118 V121 F124 F227 | F67-I71 HydrophobicContact CD1-CD1 4.11Å; F67-I71 HydrophobicContact CE1-CD1 3.46Å; F67-I71 VanDerWaalsContact CE1-CD1 3.46Å; F67-I71 HydrophobicContact CE1-CG1 4.06Å; F67-I71 HydrophobicContact CE2-CD1 4.44Å; F67-I71 HydrophobicContact CE2-CG1 4.16Å; F67-I71 HydrophobicContact CZ-CD1 3.67Å; F67-I71 HydrophobicContact CZ-CG1 3.84Å; F67-I71 PolarHBondContact O-N 2.93Å; L68-I71 HydrophobicContact CD2-CD1 4.42Å; G69-I71 VanDerWaalsContact C-N 3.35Å; G69-I71 PolarHBondContact O-N 3.24Å; I71-F73 VanDerWaalsContact C-N 3.32Å; I71-F73 PolarHBondContact O-N 3.21Å; I71-A74 PolarHBondContact O-N 2.94Å; I71-I75 HydrophobicContact CG2-CD1 3.69Å; I71-I75 HydrophobicContact CG2-CG1 4.42Å; I71-I75 VanDerWaalsContact O-CG1 3.31Å; I71-I75 WeakPolarHBondContact O-CG1 3.45Å; I71-I75 PolarHBondContact O-N 3.23Å; I71-L81 HydrophobicContact CG1-CD2 4.45Å; I71-L118 HydrophobicContact CD1-CD2 4.31Å; I71-V121 HydrophobicContact CG2-CG1 4.02Å; I71-F124 HydrophobicContact CG1-CE1 4.14Å; I71-F124 HydrophobicContact CG1-CZ 4.22Å; I71-F124 HydrophobicContact CG2-CZ 4.37Å; I71-F227 HydrophobicContact CB-CD2 4.2Å; I71-F227 HydrophobicContact CB-CG 4.17Å; I71-F227 HydrophobicContact CD1-CB 3.88Å; I71-F227 HydrophobicContact CD1-CG 4.4Å; I71-F227 HydrophobicContact CG2-CB 4.33Å; I71-F227 HydrophobicContact CG2-CD1 3.6Å; I71-F227 HydrophobicContact CG2-CD2 3.99Å; I71-F227 HydrophobicContact CG2-CE1 3.81Å; I71-F227 HydrophobicContact CG2-CE2 4.2Å; I71-F227 HydrophobicContact CG2-CG 3.7Å; I71-F227 HydrophobicContact CG2-CZ 4.11Å |
| 72 | A | 96.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 17 Ų | 17 | 15% | 0.149 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L68 G69 I75 K76 N224 F227 | L68-A72 PolarHBondContact O-N 3.33Å; G69-A72 WeakPolarHBondContact O-CB 3.27Å; G69-A72 PolarHBondContact O-N 2.95Å; A72-I75 PolarHBondContact O-N 3.47Å; A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.05Å; A72-N224 HydrophobicContact CB-CB 4.39Å; A72-N224 VanDerWaalsContact CB-CG 3.43Å; A72-N224 WeakPolarHBondContact CB-OD1 2.97Å; A72-F227 HydrophobicContact CB-CD2 4.43Å; A72-F227 HydrophobicContact CB-CE2 3.68Å; A72-F227 HydrophobicContact CB-CZ 4.47Å |
| 73 | F | 97.4 | Very high | 97 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 2% | 0.022 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 178.4 | -178.6 | -119.6 | 0 | 0 | 0 | 112 | I51 G69 M70 I71 I75 K76 I77 T190 W197 F211 P215 | I51-F73 HydrophobicContact CD1-CD1 4.03Å; I51-F73 HydrophobicContact CD1-CE1 4.09Å; G69-F73 PolarHBondContact O-N 3.32Å; M70-F73 HydrophobicContact CE-CD1 4.09Å; I71-F73 VanDerWaalsContact C-N 3.32Å; I71-F73 PolarHBondContact O-N 3.21Å; F73-I75 PolarHBondContact O-N 3.18Å; F73-K76 WeakPolarHBondContact O-CB 3.25Å; F73-K76 PolarHBondContact O-N 3.5Å; F73-I77 HydrophobicContact CD1-CD1 4.5Å; F73-I77 HydrophobicContact CD2-CG2 4.38Å; F73-I77 HydrophobicContact CE1-CD1 3.8Å; F73-I77 HydrophobicContact CE2-CD1 4.16Å; F73-I77 HydrophobicContact CE2-CG2 3.91Å; F73-I77 HydrophobicContact CZ-CD1 3.6Å; F73-I77 HydrophobicContact CZ-CG1 4.43Å; F73-I77 HydrophobicContact CZ-CG2 4.39Å; F73-I77 WeakPolarHBondContact O-CG1 3.31Å; F73-I77 PolarHBondContact O-N 3.25Å; F73-T190 HydrophobicContact CD2-CG2 4.18Å; F73-T190 HydrophobicContact CE2-CG2 4.37Å; F73-W197 HydrophobicContact CE2-CD2 4.1Å; F73-W197 AromaticContact CE2-CE2 3.6Å; F73-W197 HydrophobicContact CE2-CH2 4.32Å; F73-W197 AromaticContact CE2-CZ2 3.73Å; F73-W197 HydrophobicContact CE2-CZ2 3.73Å; F73-W197 AromaticContact CE2-NE1 3.85Å; F73-W197 HydrophobicContact CZ-CD2 4Å; F73-W197 AromaticContact CZ-CE2 3.8Å; F73-W197 HydrophobicContact CZ-CE3 4.09Å; F73-W197 AromaticContact CZ-CH2 3.83Å; F73-W197 HydrophobicContact CZ-CH2 3.83Å; F73-W197 AromaticContact CZ-CZ2 3.72Å; F73-W197 HydrophobicContact CZ-CZ2 3.72Å; F73-W197 HydrophobicContact CZ-CZ3 4.02Å; F73-F211 AromaticContact CE1-CE2 3.93Å; F73-F211 HydrophobicContact CE1-CE2 3.93Å; F73-F211 AromaticContact CE1-CZ 3.87Å; F73-F211 HydrophobicContact CE1-CZ 3.87Å; F73-F211 HydrophobicContact CZ-CZ 4.17Å; F73-P215 HydrophobicContact CD1-CG 3.95Å; F73-P215 HydrophobicContact CE1-CG 3.82Å |
| 74 | A | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.1 | -39.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | I51 M70 I71 N78 R79 L81 H122 | I51-A74 HydrophobicContact CD1-CB 3.81Å; M70-A74 VanDerWaalsContact O-CB 3.26Å; M70-A74 WeakPolarHBondContact O-CB 3.4Å; M70-A74 PolarHBondContact O-N 3.34Å; I71-A74 PolarHBondContact O-N 2.94Å; A74-N78 WeakPolarHBondContact O-CA 3.21Å; A74-N78 PolarHBondContact O-N 3.49Å; A74-N78 VanDerWaalsContact O-N 3.09Å; A74-R79 PolarHBondContact O-N 2.94Å; A74-R79 VanDerWaalsContact O-N 3.09Å; A74-L81 HydrophobicContact CB-CB 3.8Å; A74-L81 HydrophobicContact CB-CD1 4.34Å; A74-L81 HydrophobicContact CB-CG 4.43Å; A74-H122 PolarHBondContact O-NE2 2.89Å; A74-H122 VanDerWaalsContact O-NE2 3.12Å |
| 75 | I | 96 | Very high | 97 | Very high | 62 Ų | 62 | 15.6 Ų | 15.6 | 32% | 0.318 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -61.1 | -50.2 | 172.5 | -68.2 | 164.9 | 0 | 0 | 0 | 109.4 | I71 A72 F73 I77 N78 V121 H122 F227 | I71-I75 HydrophobicContact CG2-CD1 3.69Å; I71-I75 HydrophobicContact CG2-CG1 4.42Å; I71-I75 VanDerWaalsContact O-CG1 3.31Å; I71-I75 WeakPolarHBondContact O-CG1 3.45Å; I71-I75 PolarHBondContact O-N 3.23Å; A72-I75 PolarHBondContact O-N 3.47Å; F73-I75 PolarHBondContact O-N 3.18Å; I75-I77 PolarHBondContact O-N 2.99Å; I75-N78 PolarHBondContact O-N 2.82Å; I75-V121 HydrophobicContact CD1-CG1 3.81Å; I75-H122 HydrophobicContact CD1-CB 4.45Å; I75-H122 HydrophobicContact CG1-CB 3.78Å; I75-F227 HydrophobicContact CD1-CE1 3.65Å; I75-F227 HydrophobicContact CD1-CZ 3.68Å |
| 76 | K | 95.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 15.8 Ų | 15.8 | 36% | 0.361 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -58.1 | -47.1 | -174.7 | -175.3 | 172.4 | -168 | 173.6 | 0 | 112.9 | A72 F73 N78 D191 D192 | A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.05Å; F73-K76 WeakPolarHBondContact O-CB 3.25Å; F73-K76 PolarHBondContact O-N 3.5Å; K76-N78 VanDerWaalsContact C-N 3.29Å; K76-D191 PolarHBondContact NZ-O 3.25Å; K76-D192 WeakPolarHBondContact CE-O 3.35Å; K76-D192 PolarHBondContact NZ-O 2.99Å |
| 77 | I | 95.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 6.7 | -179.9 | 71.5 | 169.5 | 0 | 0 | 0 | 113.2 | I51 F73 I75 R79 K194 W197 L209 | I51-I77 HydrophobicContact CD1-CD1 3.61Å; I51-I77 HydrophobicContact CD1-CG1 3.76Å; I51-I77 HydrophobicContact CG1-CD1 4.09Å; F73-I77 HydrophobicContact CD1-CD1 4.5Å; F73-I77 HydrophobicContact CD2-CG2 4.38Å; F73-I77 HydrophobicContact CE1-CD1 3.8Å; F73-I77 HydrophobicContact CE2-CD1 4.16Å; F73-I77 HydrophobicContact CE2-CG2 3.91Å; F73-I77 HydrophobicContact CZ-CD1 3.6Å; F73-I77 HydrophobicContact CZ-CG1 4.43Å; F73-I77 HydrophobicContact CZ-CG2 4.39Å; F73-I77 WeakPolarHBondContact O-CG1 3.31Å; F73-I77 PolarHBondContact O-N 3.25Å; I75-I77 PolarHBondContact O-N 2.99Å; I77-R79 HydrophobicContact CD1-CG 4.29Å; I77-R79 HydrophobicContact CG1-CB 4.38Å; I77-R79 HydrophobicContact CG1-CG 4.11Å; I77-R79 PolarHBondContact O-N 3.47Å; I77-K194 HydrophobicContact CB-CG 4.42Å; I77-K194 VanDerWaalsContact O-CE 3.27Å; I77-K194 WeakPolarHBondContact O-CE 3.45Å; I77-W197 HydrophobicContact CG2-CB 4.03Å; I77-W197 HydrophobicContact CG2-CG 3.88Å; I77-L209 HydrophobicContact CD1-CD1 3.72Å |
| 78 | N | 95.5 | Very high | 95.9 | Very high | 114 Ų | 114 | 17.4 Ų | 17.4 | 61% | 0.61 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 52 | 177.6 | -167.5 | 30.7 | 0 | 0 | 0 | 114 | A74 I75 K76 K194 | A74-N78 WeakPolarHBondContact O-CA 3.21Å; A74-N78 PolarHBondContact O-N 3.49Å; A74-N78 VanDerWaalsContact O-N 3.09Å; I75-N78 PolarHBondContact O-N 2.82Å; K76-N78 VanDerWaalsContact C-N 3.29Å; N78-K194 HydrophobicContact CB-CD 4.16Å |
| 79 | R | 96.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | trans | -123.1 | 143.7 | 175.6 | -64.6 | -175.3 | -177.1 | -125.8 | -1.7 | 110.5 | A49 I51 A74 I77 L81 H122 D198 F201 Y206 | A49-R79 HydrophobicContact CB-CG 3.83Å; A49-R79 CarbonylContact O-C 3.54Å; A49-R79 WeakPolarHBondContact O-CA 3.42Å; A49-R79 WeakPolarHBondContact O-CB 3.32Å; I51-R79 HydrophobicContact CD1-CB 3.83Å; I51-R79 HydrophobicContact CG1-CB 3.71Å; I51-R79 HydrophobicContact CG1-CG 4.44Å; A74-R79 PolarHBondContact O-N 2.94Å; A74-R79 VanDerWaalsContact O-N 3.09Å; I77-R79 HydrophobicContact CD1-CG 4.29Å; I77-R79 HydrophobicContact CG1-CB 4.38Å; I77-R79 HydrophobicContact CG1-CG 4.11Å; I77-R79 PolarHBondContact O-N 3.47Å; R79-L81 PolarHBondContact O-N 3.26Å; R79-H122 PolarHBondContact O-NE2 3.13Å; R79-D198 IonicContact CZ-OD1 3.99Å; R79-D198 IonicContact NH2-OD1 3.01Å; R79-D198 PolarHBondContact NH2-OD1 2.02Å; R79-F201 PolarHBondContact NH2-O 3.39Å; R79-Y206 PolarHBondContact NH1-O 3.28Å | ||
| 80 | T | 97.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 22.9 Ų | 22.9 | 12% | 0.117 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 124.9 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | A49 Y50 I51 V82 Q123 I125 | A49-T80 PolarHBondContact O-N 2.78Å; Y50-T80 CarbonylContact C-O 3.48Å; Y50-T80 VanDerWaalsContact CA-O 3.3Å; Y50-T80 WeakPolarHBondContact CA-O 3.01Å; Y50-T80 HydrophobicContact CD1-CG2 3.89Å; Y50-T80 HydrophobicContact CE1-CG2 3.88Å; I51-T80 PolarHBondContact N-O 2.95Å; T80-V82 PolarHBondContact O-N 3.08Å; T80-Q123 HydrophobicContact CG2-CB 4.08Å; T80-I125 HydrophobicContact CG2-CB 4.44Å; T80-I125 HydrophobicContact CG2-CG2 3.94Å |
| 81 | L | 98.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.4 | 177.6 | -175.5 | 63.3 | 0 | 0 | 0 | 110.2 | I51 Y53 F67 M70 I71 A74 R79 L83 Q123 F124 I125 | I51-L81 HydrophobicContact CB-CD1 4.13Å; I51-L81 HydrophobicContact CG2-CD1 4.07Å; Y53-L81 HydrophobicContact CD1-CD1 4.3Å; Y53-L81 HydrophobicContact CE1-CD1 4.19Å; F67-L81 HydrophobicContact CD2-CD2 4.41Å; F67-L81 HydrophobicContact CE2-CD2 3.89Å; M70-L81 HydrophobicContact CB-CD1 4.41Å; M70-L81 HydrophobicContact CB-CD2 4.1Å; M70-L81 HydrophobicContact CE-CD1 4.04Å; I71-L81 HydrophobicContact CG1-CD2 4.45Å; A74-L81 HydrophobicContact CB-CB 3.8Å; A74-L81 HydrophobicContact CB-CD1 4.34Å; A74-L81 HydrophobicContact CB-CG 4.43Å; R79-L81 PolarHBondContact O-N 3.26Å; L81-L83 HydrophobicContact CD2-CD2 4.42Å; L81-L83 PolarHBondContact O-N 2.97Å; L81-Q123 PolarHBondContact N-O 3Å; L81-F124 HydrophobicContact CB-CD1 3.79Å; L81-F124 HydrophobicContact CB-CE1 3.94Å; L81-F124 HydrophobicContact CD2-CD1 4.19Å; L81-F124 HydrophobicContact CD2-CE1 3.82Å; L81-F124 HydrophobicContact CG-CD1 4.35Å; L81-F124 HydrophobicContact CG-CE1 4.4Å; L81-F124 WeakPolarHBondContact O-CA 3.4Å; L81-I125 PolarHBondContact O-N 3.38Å; L81-I125 VanDerWaalsContact O-N 3.15Å |
| 82 | V | 98.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 109.2 | 172.1 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | Y50 I51 T80 P84 I125 L127 F130 | Y50-V82 HydrophobicContact CD1-CG2 3.92Å; Y50-V82 HydrophobicContact CG-CG2 4.42Å; I51-V82 VanDerWaalsContact O-CB 3.27Å; I51-V82 WeakPolarHBondContact O-CB 3.38Å; I51-V82 WeakPolarHBondContact O-CG2 3.45Å; I51-V82 PolarHBondContact O-N 2.85Å; T80-V82 PolarHBondContact O-N 3.08Å; V82-P84 VanDerWaalsContact O-CD 3.28Å; V82-P84 WeakPolarHBondContact O-CD 3.28Å; V82-I125 CarbonylContact C-O 2.91Å; V82-I125 VanDerWaalsContact CA-O 3.29Å; V82-I125 WeakPolarHBondContact CA-O 3.41Å; V82-I125 HydrophobicContact CB-CG2 4.36Å; V82-I125 HydrophobicContact CG1-CG2 4.47Å; V82-I125 HydrophobicContact CG2-CG2 3.87Å; V82-L127 VanDerWaalsContact CG1-CA 3.47Å; V82-L127 HydrophobicContact CG1-CB 3.84Å; V82-L127 HydrophobicContact CG1-CD1 3.6Å; V82-L127 HydrophobicContact CG1-CG 4.32Å; V82-F130 HydrophobicContact CG1-CB 3.76Å; V82-F130 HydrophobicContact CG1-CD1 4.15Å; V82-F130 HydrophobicContact CG1-CG 3.93Å; V82-F130 HydrophobicContact CG2-CB 4.26Å; V82-F130 HydrophobicContact CG2-CD1 4.26Å; V82-F130 HydrophobicContact CG2-CD2 3.69Å; V82-F130 HydrophobicContact CG2-CE2 4.1Å; V82-F130 HydrophobicContact CG2-CG 3.79Å |
| 83 | L | 98.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 112 | -177.7 | -59.6 | 176.7 | 0 | 0 | 0 | 110.1 | F67 L81 F109 I115 L118 F124 I125 L127 | F67-L83 HydrophobicContact CE2-CD2 3.51Å; F67-L83 HydrophobicContact CZ-CD2 3.86Å; L81-L83 HydrophobicContact CD2-CD2 4.42Å; L81-L83 PolarHBondContact O-N 2.97Å; L83-F109 HydrophobicContact CB-CB 3.99Å; L83-F109 HydrophobicContact CB-CD2 3.88Å; L83-F109 HydrophobicContact CB-CG 3.9Å; L83-F109 HydrophobicContact CD1-CD1 3.77Å; L83-F109 HydrophobicContact CD1-CD2 4.31Å; L83-F109 HydrophobicContact CD1-CE1 3.99Å; L83-F109 HydrophobicContact CD1-CE2 4.49Å; L83-F109 HydrophobicContact CD1-CG 3.94Å; L83-F109 HydrophobicContact CD1-CZ 4.36Å; L83-F109 HydrophobicContact CD2-CD2 4.15Å; L83-F109 HydrophobicContact CD2-CE2 3.95Å; L83-F109 HydrophobicContact CD2-CZ 4.25Å; L83-F109 HydrophobicContact CG-CD2 4.35Å; L83-F109 HydrophobicContact CG-CG 4.38Å; L83-I115 HydrophobicContact CD1-CB 4.48Å; L83-I115 HydrophobicContact CD1-CD1 4.03Å; L83-I115 HydrophobicContact CD1-CG1 3.88Å; L83-I115 HydrophobicContact CD1-CG2 3.9Å; L83-L118 HydrophobicContact CD1-CD1 4.44Å; L83-F124 HydrophobicContact CD1-CB 4.01Å; L83-F124 HydrophobicContact CD2-CB 4.43Å; L83-F124 HydrophobicContact CD2-CD1 3.56Å; L83-F124 HydrophobicContact CD2-CE1 4.25Å; L83-F124 HydrophobicContact CD2-CG 4.33Å; L83-F124 HydrophobicContact CG-CB 4.14Å; L83-F124 HydrophobicContact CG-CD1 4.17Å; L83-I125 PolarHBondContact N-O 2.81Å; L83-L127 WeakPolarHBondContact O-CB 3.35Å; L83-L127 PolarHBondContact O-N 3.44Å |
| 84 | P | 97.3 | Very high | 81.9 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 156.6 | 178.1 | 32.7 | -35.2 | 0 | 0 | 0 | 111.1 | Y53 P55 V82 F171 | Y53-P84 HydrophobicContact CD1-CG 4.32Å; Y53-P84 HydrophobicContact CE1-CG 3.68Å; Y53-P84 HydrophobicContact CE2-CG 3.91Å; Y53-P84 VanDerWaalsContact CZ-CG 3.45Å; P55-P84 HydrophobicContact CB-CG 4.43Å; P55-P84 HydrophobicContact CG-CB 3.97Å; P55-P84 HydrophobicContact CG-CG 3.99Å; V82-P84 VanDerWaalsContact O-CD 3.28Å; V82-P84 WeakPolarHBondContact O-CD 3.28Å; P84-F171 HydrophobicContact CB-CE2 3.93Å; P84-F171 HydrophobicContact CB-CZ 3.88Å |
| 85 | P | 95.8 | Very high | 79.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 147.4 | 164.1 | 31 | -38 | 0 | 0 | 0 | 110.7 | P55 F106 V107 F171 F175 | P55-P85 VanDerWaalsContact CG-O 3.27Å; P55-P85 WeakPolarHBondContact CG-O 3.45Å; P85-F106 HydrophobicContact CB-CB 3.92Å; P85-F106 HydrophobicContact CG-CB 3.9Å; P85-F106 HydrophobicContact CG-CD1 4.37Å; P85-F106 HydrophobicContact CG-CG 4.42Å; P85-V107 CarbonylContact C-O 3.48Å; P85-V107 WeakPolarHBondContact CA-O 3.1Å; P85-V107 VanDerWaalsContact CB-O 3.29Å; P85-V107 WeakPolarHBondContact CB-O 3.41Å; P85-F171 HydrophobicContact CG-CD2 4.42Å; P85-F171 HydrophobicContact CG-CE2 3.88Å; P85-F175 HydrophobicContact CG-CE2 3.79Å; P85-F175 HydrophobicContact CG-CZ 3.8Å |
| 86 | W | 94 | Very high | 77 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135 | 174.4 | -55.9 | 103.1 | 0 | 0 | 0 | 110.8 | L60 Q63 I64 F67 I88 N105 F106 V107 F109 L112 F113 | L60-W86 HydrophobicContact CD1-CD2 4.07Å; L60-W86 HydrophobicContact CD1-CE3 3.8Å; L60-W86 HydrophobicContact CD1-CG 4.43Å; L60-W86 HydrophobicContact CD1-CZ3 4.33Å; Q63-W86 HydrophobicContact CB-CE3 3.98Å; Q63-W86 HydrophobicContact CB-CZ3 3.95Å; I64-W86 HydrophobicContact CG1-CH2 4.19Å; I64-W86 HydrophobicContact CG1-CZ3 4.1Å; F67-W86 HydrophobicContact CB-CH2 4.34Å; F67-W86 HydrophobicContact CD1-CH2 4.33Å; F67-W86 HydrophobicContact CG-CH2 4.25Å; W86-I88 HydrophobicContact CB-CD1 3.89Å; W86-I88 HydrophobicContact CB-CG1 4.1Å; W86-I88 PolarHBondContact O-N 3.11Å; W86-N105 VanDerWaalsContact O-O 3.12Å; W86-F106 CarbonylContact O-C 3.48Å; W86-F106 VanDerWaalsContact O-CA 3.28Å; W86-F106 WeakPolarHBondContact O-CA 3.44Å; W86-V107 PolarHBondContact N-O 2.99Å; W86-V107 PolarHBondContact O-N 2.87Å; W86-F109 AromaticContact CE2-CD2 3.8Å; W86-F109 HydrophobicContact CH2-CD2 4.37Å; W86-F109 AromaticContact CH2-CE2 3.92Å; W86-F109 HydrophobicContact CH2-CE2 3.92Å; W86-F109 AromaticContact CZ2-CD2 3.51Å; W86-F109 HydrophobicContact CZ2-CD2 3.51Å; W86-F109 AromaticContact CZ2-CE2 3.26Å; W86-F109 HydrophobicContact CZ2-CE2 3.26Å; W86-F109 HydrophobicContact CZ2-CG 4.41Å; W86-F109 AromaticContact CZ2-CZ 3.99Å; W86-F109 HydrophobicContact CZ2-CZ 3.99Å; W86-F109 AromaticContact NE1-CD2 3.89Å; W86-L112 HydrophobicContact CB-CD1 4.24Å; W86-L112 VanDerWaalsContact CD1-CD1 3.42Å; W86-L112 HydrophobicContact CD2-CD1 4.24Å; W86-L112 HydrophobicContact CG-CD1 3.7Å; W86-L112 HydrophobicContact CG-CG 4.36Å; W86-F113 AromaticContact CE2-CD2 3.79Å; W86-F113 AromaticContact CE2-CE2 3.74Å; W86-F113 HydrophobicContact CH2-CD2 4.4Å; W86-F113 HydrophobicContact CH2-CE2 4.03Å; W86-F113 AromaticContact CZ2-CD2 3.4Å; W86-F113 HydrophobicContact CZ2-CD2 3.4Å; W86-F113 VanDerWaalsContact CZ2-CD2 3.4Å; W86-F113 AromaticContact CZ2-CE2 3.36Å; W86-F113 HydrophobicContact CZ2-CE2 3.36Å; W86-F113 AromaticContact NE1-CD2 3.79Å |
| 87 | N | 90.6 | Very high | 74.5 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 94.4 | 171 | -179 | 9.1 | 0 | 0 | 0 | 109.7 | Q63 M89 N105 F106 P167 | Q63-N87 PolarHBondContact NE2-O 2.86Å; N87-M89 PolarHBondContact O-N 2.85Å; N87-N105 CarbonylContact C-O 3.58Å; N87-N105 WeakPolarHBondContact CA-O 3.21Å; N87-F106 HydrophobicContact CB-CD1 4.11Å; N87-F106 HydrophobicContact CB-CE1 3.84Å; N87-P167 VanDerWaalsContact ND2-CB 3.29Å; N87-P167 WeakPolarHBondContact ND2-CB 3.29Å; N87-P167 WeakPolarHBondContact ND2-CG 3.28Å |
| 88 | I | 84.5 | Confident | 72.3 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 14% | 0.138 | 28% | 0.28 | C | S | . | . | trans | -93.5 | 82.1 | 177.4 | -52.2 | -58.1 | 0 | 0 | 0 | 107.9 | L60 W86 S90 N105 V107 L112 | L60-I88 HydrophobicContact CB-CD1 4.28Å; L60-I88 HydrophobicContact CD1-CD1 4.14Å; L60-I88 HydrophobicContact CD2-CD1 4.29Å; L60-I88 HydrophobicContact CG-CD1 4.48Å; W86-I88 HydrophobicContact CB-CD1 3.89Å; W86-I88 HydrophobicContact CB-CG1 4.1Å; W86-I88 PolarHBondContact O-N 3.11Å; I88-S90 PolarHBondContact O-N 3.48Å; I88-S90 VanDerWaalsContact O-N 3.11Å; I88-N105 PolarHBondContact N-O 3.26Å; I88-N105 WeakPolarHBondContact O-CB 3.47Å; I88-N105 PolarHBondContact O-OD1 3.31Å; I88-V107 HydrophobicContact CB-CG2 4.17Å; I88-V107 HydrophobicContact CG1-CB 4.1Å; I88-V107 HydrophobicContact CG1-CG2 3.72Å; I88-L112 HydrophobicContact CD1-CD1 4.36Å | ||
| 89 | M | 67.1 | Low | 70 | Confident | 103 Ų | 103 | 53 Ų | 53 | 51% | 0.507 | 28% | 0.283 | S | S | . | . | trans | -67.5 | 110.4 | 171.8 | -172.6 | 169.5 | 70.1 | 0 | 0 | 108.7 | N87 | N87-M89 PolarHBondContact O-N 2.85Š| ||
| 90 | S | 52.6 | Low | 67.6 | Low | 20 Ų | 20 | 61.7 Ų | 61.7 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | trans | -67.9 | 143 | 178.4 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | I88 A94 V95 Y98 | I88-S90 PolarHBondContact O-N 3.48Å; I88-S90 VanDerWaalsContact O-N 3.11Å; S90-A94 VanDerWaalsContact CB-CB 3.49Å; S90-V95 WeakPolarHBondContact O-CG2 3.4Å; S90-Y98 WeakPolarHBondContact OG-CD2 3.16Å; S90-Y98 VanDerWaalsContact OG-CE2 3.32Å; S90-Y98 WeakPolarHBondContact OG-CE2 3.26Å | ||
| 91 | S | 46.4 | Very low | 65.3 | Low | 98 Ų | 98 | 66.2 Ų | 66.2 | 69% | 0.685 | 34% | 0.335 | S | S | * | . | trans | -64.6 | 153.9 | 174.6 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | K93 A94 | S91-K93 PolarHBondContact O-N 3.46Å; S91-A94 PolarHBondContact O-N 2.85Å | ||
| 92 | L | 41.7 | Very low | 62.8 | Low | 154 Ų | 154 | 73 Ų | 73 | 81% | 0.806 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -39.4 | -28 | -166.2 | -75 | 154.6 | 0 | 0 | 0 | 117.9 | ||
| 93 | K | 39.8 | Very low | 60.4 | Low | 177 Ų | 177 | 76.3 Ų | 76.3 | 77% | 0.77 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -74.6 | -35 | 177.1 | -73.6 | -172.2 | 176.4 | -178.7 | 0 | 113.3 | S91 V95 | S91-K93 PolarHBondContact O-N 3.46Å; K93-V95 VanDerWaalsContact C-N 3.35Å |
| 94 | A | 42.3 | Very low | 58.5 | Low | 30 Ų | 30 | 80.9 Ų | 80.9 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -80.6 | -22.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | S90 S91 S96 F97 Y98 | S90-A94 VanDerWaalsContact CB-CB 3.49Å; S91-A94 PolarHBondContact O-N 2.85Å; A94-S96 PolarHBondContact O-N 2.91Å; A94-S96 VanDerWaalsContact O-N 3.13Å; A94-F97 CarbonylContact O-C 3.54Å; A94-F97 WeakPolarHBondContact O-CA 3.42Å; A94-F97 WeakPolarHBondContact O-CB 3.44Å; A94-F97 PolarHBondContact O-N 3.19Å; A94-Y98 HydrophobicContact CB-CD2 3.6Å; A94-Y98 HydrophobicContact CB-CE2 3.43Å; A94-Y98 VanDerWaalsContact CB-CE2 3.43Å; A94-Y98 WeakPolarHBondContact O-CD2 3.39Å; A94-Y98 PolarHBondContact O-N 3.28Å |
| 95 | V | 43.8 | Very low | 57.5 | Low | 51 Ų | 51 | 83 Ų | 83 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -52 | -39.5 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | S90 K93 F97 I99 | S90-V95 WeakPolarHBondContact O-CG2 3.4Å; K93-V95 VanDerWaalsContact C-N 3.35Å; V95-F97 PolarHBondContact O-N 3.29Å; V95-I99 HydrophobicContact CG1-CD1 3.48Å; V95-I99 VanDerWaalsContact CG1-CD1 3.48Å; V95-I99 HydrophobicContact CG1-CG1 4.12Å; V95-I99 WeakPolarHBondContact O-CB 3.19Å; V95-I99 WeakPolarHBondContact O-CD1 3.28Å; V95-I99 WeakPolarHBondContact O-CG1 3.47Å; V95-I99 PolarHBondContact O-N 3.05Å |
| 96 | S | 45.5 | Very low | 57.1 | Low | 90 Ų | 90 | 83.5 Ų | 83.5 | 63% | 0.629 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.5 | -39.7 | 173.6 | -70.6 | 0 | 0 | 0 | 0 | 113 | A94 Y100 | A94-S96 PolarHBondContact O-N 2.91Å; A94-S96 VanDerWaalsContact O-N 3.13Å; S96-Y100 WeakPolarHBondContact O-CB 3.38Å; S96-Y100 PolarHBondContact O-N 2.9Å |
| 97 | F | 44.2 | Very low | 56.9 | Low | 111 Ų | 111 | 85 Ų | 85 | 49% | 0.487 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70 | -46.9 | 177.1 | -176.7 | -95 | 0 | 0 | 0 | 112.3 | A94 V95 I99 Y100 F101 I103 | A94-F97 CarbonylContact O-C 3.54Å; A94-F97 WeakPolarHBondContact O-CA 3.42Å; A94-F97 WeakPolarHBondContact O-CB 3.44Å; A94-F97 PolarHBondContact O-N 3.19Å; V95-F97 PolarHBondContact O-N 3.29Å; F97-I99 PolarHBondContact O-N 3.45Å; F97-Y100 PolarHBondContact O-N 2.66Å; F97-F101 HydrophobicContact CD1-CD2 4.26Å; F97-F101 AromaticContact CD2-CD2 3.61Å; F97-F101 HydrophobicContact CD2-CD2 3.61Å; F97-F101 AromaticContact CD2-CE2 3.54Å; F97-F101 HydrophobicContact CD2-CE2 3.54Å; F97-F101 HydrophobicContact CE1-CD2 4.13Å; F97-F101 AromaticContact CE2-CD2 3.46Å; F97-F101 HydrophobicContact CE2-CD2 3.46Å; F97-F101 VanDerWaalsContact CE2-CD2 3.46Å; F97-F101 AromaticContact CE2-CE2 3.27Å; F97-F101 HydrophobicContact CE2-CE2 3.27Å; F97-F101 HydrophobicContact CE2-CZ 4.3Å; F97-F101 HydrophobicContact CG-CD2 4.02Å; F97-F101 HydrophobicContact CG-CE2 4.39Å; F97-F101 AromaticContact CZ-CD2 3.73Å; F97-F101 HydrophobicContact CZ-CD2 3.73Å; F97-F101 AromaticContact CZ-CE2 3.93Å; F97-F101 HydrophobicContact CZ-CE2 3.93Å; F97-F101 WeakPolarHBondContact O-CD2 3.28Å; F97-F101 PolarHBondContact O-N 2.88Å; F97-I103 HydrophobicContact CD1-CD1 4.04Å; F97-I103 HydrophobicContact CE1-CD1 3.44Å; F97-I103 VanDerWaalsContact CE1-CD1 3.44Å; F97-I103 HydrophobicContact CZ-CD1 4.19Å |
| 98 | Y | 47.8 | Very low | 57.1 | Low | 78 Ų | 78 | 86.3 Ų | 86.3 | 31% | 0.306 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 179.3 | -73.5 | -84.2 | 0 | 0 | 0 | 111.9 | S90 A94 N102 I103 | S90-Y98 WeakPolarHBondContact OG-CD2 3.16Å; S90-Y98 VanDerWaalsContact OG-CE2 3.32Å; S90-Y98 WeakPolarHBondContact OG-CE2 3.26Å; A94-Y98 HydrophobicContact CB-CD2 3.6Å; A94-Y98 HydrophobicContact CB-CE2 3.43Å; A94-Y98 VanDerWaalsContact CB-CE2 3.43Å; A94-Y98 WeakPolarHBondContact O-CD2 3.39Å; A94-Y98 PolarHBondContact O-N 3.28Å; Y98-N102 WeakPolarHBondContact O-CA 3.3Å; Y98-N102 PolarHBondContact O-N 2.98Å; Y98-I103 HydrophobicContact CD1-CB 3.5Å; Y98-I103 VanDerWaalsContact CD1-CB 3.5Å; Y98-I103 HydrophobicContact CD1-CG2 3.48Å; Y98-I103 VanDerWaalsContact CD1-CG2 3.48Å; Y98-I103 WeakPolarHBondContact CD1-O 2.86Å; Y98-I103 HydrophobicContact CE1-CB 4.02Å; Y98-I103 HydrophobicContact CE1-CG2 3.48Å; Y98-I103 VanDerWaalsContact CE1-CG2 3.48Å; Y98-I103 HydrophobicContact CG-CB 4.45Å; Y98-I103 PolarHBondContact O-N 3.46Å; Y98-I103 VanDerWaalsContact O-N 3.1Å |
| 99 | I | 48.9 | Very low | 57.6 | Low | 129 Ų | 129 | 85.1 Ų | 85.1 | 66% | 0.662 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64 | -48.1 | 171.6 | -71.1 | 171.5 | 0 | 0 | 0 | 110.2 | V95 F97 F101 N102 | V95-I99 HydrophobicContact CG1-CD1 3.48Å; V95-I99 VanDerWaalsContact CG1-CD1 3.48Å; V95-I99 HydrophobicContact CG1-CG1 4.12Å; V95-I99 WeakPolarHBondContact O-CB 3.19Å; V95-I99 WeakPolarHBondContact O-CD1 3.28Å; V95-I99 WeakPolarHBondContact O-CG1 3.47Å; V95-I99 PolarHBondContact O-N 3.05Å; F97-I99 PolarHBondContact O-N 3.45Å; I99-F101 VanDerWaalsContact C-N 3.31Å; I99-F101 PolarHBondContact O-N 3.48Å; I99-N102 PolarHBondContact O-N 3.43Å |
| 100 | Y | 46 | Very low | 58.9 | Low | 186 Ų | 186 | 81.6 Ų | 81.6 | 73% | 0.729 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.9 | -37.2 | -176.9 | -167.3 | -91.6 | 0 | 0 | 0 | 112.7 | S96 F97 | S96-Y100 WeakPolarHBondContact O-CB 3.38Å; S96-Y100 PolarHBondContact O-N 2.9Å; F97-Y100 PolarHBondContact O-N 2.66Å |
| 101 | F | 47.7 | Very low | 60.9 | Low | 114 Ų | 114 | 85.1 Ų | 85.1 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -101.6 | 5.9 | -176.5 | -70 | -72.7 | 0 | 0 | 0 | 114.7 | F97 I99 I103 | F97-F101 HydrophobicContact CD1-CD2 4.26Å; F97-F101 AromaticContact CD2-CD2 3.61Å; F97-F101 HydrophobicContact CD2-CD2 3.61Å; F97-F101 AromaticContact CD2-CE2 3.54Å; F97-F101 HydrophobicContact CD2-CE2 3.54Å; F97-F101 HydrophobicContact CE1-CD2 4.13Å; F97-F101 AromaticContact CE2-CD2 3.46Å; F97-F101 HydrophobicContact CE2-CD2 3.46Å; F97-F101 VanDerWaalsContact CE2-CD2 3.46Å; F97-F101 AromaticContact CE2-CE2 3.27Å; F97-F101 HydrophobicContact CE2-CE2 3.27Å; F97-F101 HydrophobicContact CE2-CZ 4.3Å; F97-F101 HydrophobicContact CG-CD2 4.02Å; F97-F101 HydrophobicContact CG-CE2 4.39Å; F97-F101 AromaticContact CZ-CD2 3.73Å; F97-F101 HydrophobicContact CZ-CD2 3.73Å; F97-F101 AromaticContact CZ-CE2 3.93Å; F97-F101 HydrophobicContact CZ-CE2 3.93Å; F97-F101 WeakPolarHBondContact O-CD2 3.28Å; F97-F101 PolarHBondContact O-N 2.88Å; I99-F101 VanDerWaalsContact C-N 3.31Å; I99-F101 PolarHBondContact O-N 3.48Å; F101-I103 HydrophobicContact CB-CD1 3.52Å; F101-I103 HydrophobicContact CB-CG1 3.57Å; F101-I103 HydrophobicContact CG-CD1 4.32Å; F101-I103 PolarHBondContact O-N 2.79Å; F101-I103 VanDerWaalsContact O-N 3.08Å |
| 102 | N | 46 | Very low | 63.2 | Low | 141 Ų | 141 | 80.6 Ų | 80.6 | 75% | 0.754 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 34.5 | -175.5 | -158.7 | 7.7 | 0 | 0 | 0 | 112.7 | Y98 I99 Q104 | Y98-N102 WeakPolarHBondContact O-CA 3.3Å; Y98-N102 PolarHBondContact O-N 2.98Å; I99-N102 PolarHBondContact O-N 3.43Å; N102-Q104 PolarHBondContact O-N 3.44Å |
| 103 | I | 49.5 | Very low | 65.8 | Low | 71 Ų | 71 | 73.3 Ų | 73.3 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | trans | -78.6 | 112.3 | -177.2 | -62.8 | 167.6 | 0 | 0 | 0 | 106.3 | F97 Y98 F101 N105 | F97-I103 HydrophobicContact CD1-CD1 4.04Å; F97-I103 HydrophobicContact CE1-CD1 3.44Å; F97-I103 VanDerWaalsContact CE1-CD1 3.44Å; F97-I103 HydrophobicContact CZ-CD1 4.19Å; Y98-I103 HydrophobicContact CD1-CB 3.5Å; Y98-I103 VanDerWaalsContact CD1-CB 3.5Å; Y98-I103 HydrophobicContact CD1-CG2 3.48Å; Y98-I103 VanDerWaalsContact CD1-CG2 3.48Å; Y98-I103 WeakPolarHBondContact CD1-O 2.86Å; Y98-I103 HydrophobicContact CE1-CB 4.02Å; Y98-I103 HydrophobicContact CE1-CG2 3.48Å; Y98-I103 VanDerWaalsContact CE1-CG2 3.48Å; Y98-I103 HydrophobicContact CG-CB 4.45Å; Y98-I103 PolarHBondContact O-N 3.46Å; Y98-I103 VanDerWaalsContact O-N 3.1Å; F101-I103 HydrophobicContact CB-CD1 3.52Å; F101-I103 HydrophobicContact CB-CG1 3.57Å; F101-I103 HydrophobicContact CG-CD1 4.32Å; F101-I103 PolarHBondContact O-N 2.79Å; F101-I103 VanDerWaalsContact O-N 3.08Å; I103-N105 PolarHBondContact O-N 2.91Å | ||
| 104 | Q | 56.7 | Low | 68.4 | Low | 96 Ų | 96 | 67.7 Ų | 67.7 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | trans | -67 | 131 | -179.2 | -68.1 | -179.7 | -17.7 | 0 | 0 | 110.8 | N102 F106 | N102-Q104 PolarHBondContact O-N 3.44Å; Q104-F106 HydrophobicContact CB-CD2 4.4Å; Q104-F106 PolarHBondContact O-N 2.97Å | ||
| 105 | N | 76.4 | Confident | 70.9 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -66.4 | 10.5 | 179.6 | -67.1 | -38.9 | 0 | 0 | 0 | 114.8 | W86 N87 I88 I103 | W86-N105 VanDerWaalsContact O-O 3.12Å; N87-N105 CarbonylContact C-O 3.58Å; N87-N105 WeakPolarHBondContact CA-O 3.21Å; I88-N105 PolarHBondContact N-O 3.26Å; I88-N105 WeakPolarHBondContact O-CB 3.47Å; I88-N105 PolarHBondContact O-OD1 3.31Å; I103-N105 PolarHBondContact O-N 2.91Å |
| 106 | F | 88.2 | Confident | 73.2 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 101.1 | -174.1 | -64.5 | -67.2 | 0 | 0 | 0 | 110.6 | P85 W86 N87 Q104 P167 E170 F171 K174 | P85-F106 HydrophobicContact CB-CB 3.92Å; P85-F106 HydrophobicContact CG-CB 3.9Å; P85-F106 HydrophobicContact CG-CD1 4.37Å; P85-F106 HydrophobicContact CG-CG 4.42Å; W86-F106 CarbonylContact O-C 3.48Å; W86-F106 VanDerWaalsContact O-CA 3.28Å; W86-F106 WeakPolarHBondContact O-CA 3.44Å; N87-F106 HydrophobicContact CB-CD1 4.11Å; N87-F106 HydrophobicContact CB-CE1 3.84Å; Q104-F106 HydrophobicContact CB-CD2 4.4Å; Q104-F106 PolarHBondContact O-N 2.97Å; F106-P167 HydrophobicContact CZ-CB 4.35Å; F106-E170 HydrophobicContact CE2-CB 3.85Å; F106-E170 HydrophobicContact CZ-CB 4.29Å; F106-F171 AromaticContact CD1-CD2 3.9Å; F106-F171 HydrophobicContact CD1-CD2 3.9Å; F106-F171 HydrophobicContact CE1-CB 3.86Å; F106-F171 AromaticContact CE1-CD2 3.65Å; F106-F171 HydrophobicContact CE1-CD2 3.65Å; F106-F171 HydrophobicContact CE1-CG 4.25Å; F106-F171 HydrophobicContact CE2-CB 4.25Å; F106-F171 VanDerWaalsContact CZ-CA 3.42Å; F106-F171 HydrophobicContact CZ-CB 3.57Å; F106-F171 HydrophobicContact CZ-CD2 4.2Å; F106-F171 HydrophobicContact CZ-CG 4.41Å; F106-K174 HydrophobicContact CB-CD 3.62Å; F106-K174 HydrophobicContact CD2-CD 3.9Å; F106-K174 HydrophobicContact CG-CD 4.08Å; F106-K174 PolarHBondContact O-NZ 3.06Å |
| 107 | V | 90.4 | Very high | 75.4 | Confident | 37 Ų | 37 | 67 Ų | 67 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122.4 | -179.2 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | P85 W86 I88 N111 L112 | P85-V107 CarbonylContact C-O 3.48Å; P85-V107 WeakPolarHBondContact CA-O 3.1Å; P85-V107 VanDerWaalsContact CB-O 3.29Å; P85-V107 WeakPolarHBondContact CB-O 3.41Å; W86-V107 PolarHBondContact N-O 2.99Å; W86-V107 PolarHBondContact O-N 2.87Å; I88-V107 HydrophobicContact CB-CG2 4.17Å; I88-V107 HydrophobicContact CG1-CB 4.1Å; I88-V107 HydrophobicContact CG1-CG2 3.72Å; V107-N111 HydrophobicContact CG1-CB 3.56Å; V107-L112 HydrophobicContact CG1-CD2 4.3Å; V107-L112 HydrophobicContact CG1-CG 4.38Å |
| 108 | P | 94 | Very high | 77.7 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | trans | -51 | 145.5 | 179.4 | -28.2 | 35.1 | 0 | 0 | 0 | 112.5 | G110 N111 | P108-G110 VanDerWaalsContact C-N 3.25Å; P108-G110 PolarHBondContact O-N 2.99Å; P108-N111 WeakPolarHBondContact O-CB 3.39Å; P108-N111 PolarHBondContact O-N 3.23Å | ||
| 109 | F | 95.6 | Very high | 79.7 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -52.8 | -46 | -175.8 | -173 | -79.8 | 0 | 0 | 0 | 112.4 | F67 L83 W86 N111 L112 F113 I115 L118 L231 | F67-F109 HydrophobicContact CD2-CE2 4.34Å; F67-F109 HydrophobicContact CE1-CE2 4.04Å; F67-F109 HydrophobicContact CE1-CZ 4Å; F67-F109 AromaticContact CE2-CE2 3.83Å; F67-F109 HydrophobicContact CE2-CE2 3.83Å; F67-F109 HydrophobicContact CE2-CZ 4.34Å; F67-F109 AromaticContact CZ-CE2 3.65Å; F67-F109 HydrophobicContact CZ-CE2 3.65Å; F67-F109 AromaticContact CZ-CZ 3.71Å; F67-F109 HydrophobicContact CZ-CZ 3.71Å; L83-F109 HydrophobicContact CB-CB 3.99Å; L83-F109 HydrophobicContact CB-CD2 3.88Å; L83-F109 HydrophobicContact CB-CG 3.9Å; L83-F109 HydrophobicContact CD1-CD1 3.77Å; L83-F109 HydrophobicContact CD1-CD2 4.31Å; L83-F109 HydrophobicContact CD1-CE1 3.99Å; L83-F109 HydrophobicContact CD1-CE2 4.49Å; L83-F109 HydrophobicContact CD1-CG 3.94Å; L83-F109 HydrophobicContact CD1-CZ 4.36Å; L83-F109 HydrophobicContact CD2-CD2 4.15Å; L83-F109 HydrophobicContact CD2-CE2 3.95Å; L83-F109 HydrophobicContact CD2-CZ 4.25Å; L83-F109 HydrophobicContact CG-CD2 4.35Å; L83-F109 HydrophobicContact CG-CG 4.38Å; W86-F109 AromaticContact CE2-CD2 3.8Å; W86-F109 HydrophobicContact CH2-CD2 4.37Å; W86-F109 AromaticContact CH2-CE2 3.92Å; W86-F109 HydrophobicContact CH2-CE2 3.92Å; W86-F109 AromaticContact CZ2-CD2 3.51Å; W86-F109 HydrophobicContact CZ2-CD2 3.51Å; W86-F109 AromaticContact CZ2-CE2 3.26Å; W86-F109 HydrophobicContact CZ2-CE2 3.26Å; W86-F109 HydrophobicContact CZ2-CG 4.41Å; W86-F109 AromaticContact CZ2-CZ 3.99Å; W86-F109 HydrophobicContact CZ2-CZ 3.99Å; W86-F109 AromaticContact NE1-CD2 3.89Å; F109-N111 PolarHBondContact O-N 3.15Å; F109-L112 PolarHBondContact O-N 2.91Å; F109-L112 VanDerWaalsContact O-N 3.09Å; F109-F113 HydrophobicContact CD1-CB 4.33Å; F109-F113 HydrophobicContact CE1-CB 3.7Å; F109-F113 HydrophobicContact CZ-CB 4.19Å; F109-F113 HydrophobicContact CZ-CD2 4.35Å; F109-F113 PolarHBondContact O-N 3.41Å; F109-F113 VanDerWaalsContact O-N 3.09Å; F109-I115 HydrophobicContact CD1-CD1 4.18Å; F109-I115 HydrophobicContact CD1-CG1 3.6Å; F109-I115 HydrophobicContact CE1-CG1 4.06Å; F109-L118 HydrophobicContact CE1-CD1 3.62Å; F109-L118 HydrophobicContact CZ-CD1 3.56Å; F109-L231 HydrophobicContact CZ-CD2 3.9Å |
| 110 | G | 94.5 | Very high | 81.7 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -62.8 | -18.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P108 L112 F113 N234 | P108-G110 VanDerWaalsContact C-N 3.25Å; P108-G110 PolarHBondContact O-N 2.99Å; G110-L112 VanDerWaalsContact C-N 3.26Å; G110-L112 PolarHBondContact O-N 3.3Å; G110-F113 VanDerWaalsContact CA-O 3.31Å; G110-F113 WeakPolarHBondContact CA-O 3.3Å; G110-N234 PolarHBondContact O-ND2 3.29Å |
| 111 | N | 93.6 | Very high | 83.9 | Confident | 94 Ų | 94 | 53 Ų | 53 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -75.6 | -17.2 | 176.6 | -73.9 | 28 | 0 | 0 | 0 | 112.4 | V107 P108 F109 N234 | V107-N111 HydrophobicContact CG1-CB 3.56Å; P108-N111 WeakPolarHBondContact O-CB 3.39Å; P108-N111 PolarHBondContact O-N 3.23Å; F109-N111 PolarHBondContact O-N 3.15Å; N111-N234 PolarHBondContact O-ND2 3.35Å |
| 112 | L | 94.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -49 | 172.7 | -58.1 | -165.2 | 0 | 0 | 0 | 111.9 | L60 W86 I88 V107 F109 G110 W233 N234 I237 E358 | L60-L112 HydrophobicContact CD1-CD1 3.99Å; L60-L112 HydrophobicContact CD2-CD1 4.33Å; W86-L112 HydrophobicContact CB-CD1 4.24Å; W86-L112 VanDerWaalsContact CD1-CD1 3.42Å; W86-L112 HydrophobicContact CD2-CD1 4.24Å; W86-L112 HydrophobicContact CG-CD1 3.7Å; W86-L112 HydrophobicContact CG-CG 4.36Å; I88-L112 HydrophobicContact CD1-CD1 4.36Å; V107-L112 HydrophobicContact CG1-CD2 4.3Å; V107-L112 HydrophobicContact CG1-CG 4.38Å; F109-L112 PolarHBondContact O-N 2.91Å; F109-L112 VanDerWaalsContact O-N 3.09Å; G110-L112 VanDerWaalsContact C-N 3.26Å; G110-L112 PolarHBondContact O-N 3.3Å; L112-W233 HydrophobicContact CB-CZ3 4.32Å; L112-W233 WeakPolarHBondContact O-CA 3.19Å; L112-N234 PolarHBondContact O-N 3.03Å; L112-I237 HydrophobicContact CB-CD1 4.31Å; L112-I237 HydrophobicContact CD2-CD1 3.77Å; L112-E358 HydrophobicContact CD1-CB 4.35Å; L112-E358 HydrophobicContact CD2-CB 3.92Å; L112-E358 HydrophobicContact CD2-CG 3.7Å |
| 113 | F | 96.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -121.2 | 148.6 | -170.7 | -58.9 | -77.4 | 0 | 0 | 0 | 112.3 | I64 W86 F109 G110 I115 L231 E232 W233 | I64-F113 HydrophobicContact CD1-CZ 4.2Å; W86-F113 AromaticContact CE2-CD2 3.79Å; W86-F113 AromaticContact CE2-CE2 3.74Å; W86-F113 HydrophobicContact CH2-CD2 4.4Å; W86-F113 HydrophobicContact CH2-CE2 4.03Å; W86-F113 AromaticContact CZ2-CD2 3.4Å; W86-F113 HydrophobicContact CZ2-CD2 3.4Å; W86-F113 VanDerWaalsContact CZ2-CD2 3.4Å; W86-F113 AromaticContact CZ2-CE2 3.36Å; W86-F113 HydrophobicContact CZ2-CE2 3.36Å; W86-F113 AromaticContact NE1-CD2 3.79Å; F109-F113 HydrophobicContact CD1-CB 4.33Å; F109-F113 HydrophobicContact CE1-CB 3.7Å; F109-F113 HydrophobicContact CZ-CB 4.19Å; F109-F113 HydrophobicContact CZ-CD2 4.35Å; F109-F113 PolarHBondContact O-N 3.41Å; F109-F113 VanDerWaalsContact O-N 3.09Å; G110-F113 VanDerWaalsContact CA-O 3.31Å; G110-F113 WeakPolarHBondContact CA-O 3.3Å; F113-I115 PolarHBondContact O-N 2.74Å; F113-L231 HydrophobicContact CB-CD2 4.37Å; F113-L231 HydrophobicContact CD1-CB 4.07Å; F113-L231 HydrophobicContact CD1-CD2 4.16Å; F113-L231 HydrophobicContact CD2-CD2 4.26Å; F113-L231 HydrophobicContact CE1-CB 4.17Å; F113-L231 HydrophobicContact CG-CD2 4Å; F113-E232 CarbonylContact C-O 3.57Å; F113-E232 WeakPolarHBondContact CA-O 3.38Å; F113-E232 WeakPolarHBondContact CB-O 3.47Å; F113-W233 HydrophobicContact CD1-CD2 4.42Å; F113-W233 HydrophobicContact CD1-CE3 4.16Å; F113-W233 HydrophobicContact CD1-CZ3 4.48Å; F113-W233 AromaticContact CE1-CD2 3.97Å; F113-W233 HydrophobicContact CE1-CD2 3.97Å; F113-W233 AromaticContact CE1-CE3 3.75Å; F113-W233 HydrophobicContact CE1-CE3 3.75Å; F113-W233 AromaticContact CE1-CH2 3.94Å; F113-W233 HydrophobicContact CE1-CH2 3.94Å; F113-W233 HydrophobicContact CE1-CZ2 4.11Å; F113-W233 AromaticContact CE1-CZ3 3.74Å; F113-W233 HydrophobicContact CE1-CZ3 3.74Å; F113-W233 HydrophobicContact CE2-CZ3 4.45Å; F113-W233 HydrophobicContact CZ-CE3 4.21Å; F113-W233 AromaticContact CZ-CH2 3.81Å; F113-W233 HydrophobicContact CZ-CH2 3.81Å; F113-W233 HydrophobicContact CZ-CZ2 4.33Å; F113-W233 AromaticContact CZ-CZ3 3.73Å; F113-W233 HydrophobicContact CZ-CZ3 3.73Å |
| 114 | N | 95.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | trans | -72 | 118 | 171.6 | -171.1 | -0.7 | 0 | 0 | 0 | 109.9 | T116 T117 E232 | N114-T116 VanDerWaalsContact C-N 3.29Å; N114-T116 VanDerWaalsContact CG-OG1 3.31Å; N114-T116 PolarHBondContact ND2-OG1 3.09Å; N114-T116 VanDerWaalsContact ND2-OG1 3.1Å; N114-T116 PolarHBondContact O-N 3.48Å; N114-T116 PolarHBondContact OD1-N 2.74Å; N114-T116 VanDerWaalsContact OD1-N 3.09Å; N114-T116 PolarHBondContact OD1-OG1 3.38Å; N114-T117 HydrophobicContact CB-CG2 4.24Å; N114-T117 PolarHBondContact O-OG1 3.31Å; N114-E232 PolarHBondContact N-O 3Å | ||
| 115 | I | 93.5 | Very high | 92.7 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -70.5 | -29.7 | 179.6 | -63.6 | 172.6 | 0 | 0 | 0 | 111 | L83 F109 F113 T117 L118 | L83-I115 HydrophobicContact CD1-CB 4.48Å; L83-I115 HydrophobicContact CD1-CD1 4.03Å; L83-I115 HydrophobicContact CD1-CG1 3.88Å; L83-I115 HydrophobicContact CD1-CG2 3.9Å; F109-I115 HydrophobicContact CD1-CD1 4.18Å; F109-I115 HydrophobicContact CD1-CG1 3.6Å; F109-I115 HydrophobicContact CE1-CG1 4.06Å; F113-I115 PolarHBondContact O-N 2.74Å; I115-T117 PolarHBondContact O-N 3.32Å; I115-L118 WeakPolarHBondContact O-CB 3.28Å; I115-L118 PolarHBondContact O-N 3.43Å; I115-L118 VanDerWaalsContact O-N 3.08Å |
| 116 | T | 92.6 | Very high | 93.7 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 55% | 0.546 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.6 | -172.7 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | N114 L118 L119 | N114-T116 VanDerWaalsContact C-N 3.29Å; N114-T116 VanDerWaalsContact CG-OG1 3.31Å; N114-T116 PolarHBondContact ND2-OG1 3.09Å; N114-T116 VanDerWaalsContact ND2-OG1 3.1Å; N114-T116 PolarHBondContact O-N 3.48Å; N114-T116 PolarHBondContact OD1-N 2.74Å; N114-T116 VanDerWaalsContact OD1-N 3.09Å; N114-T116 PolarHBondContact OD1-OG1 3.38Å; T116-L118 VanDerWaalsContact C-N 3.26Å; T116-L118 PolarHBondContact O-N 3.03Å; T116-L119 WeakPolarHBondContact O-CB 3.34Å; T116-L119 PolarHBondContact O-N 3.33Å |
| 117 | T | 91.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23.4 | 178.6 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | N114 I115 S120 Y230 E232 | N114-T117 HydrophobicContact CB-CG2 4.24Å; N114-T117 PolarHBondContact O-OG1 3.31Å; I115-T117 PolarHBondContact O-N 3.32Å; T117-S120 PolarHBondContact O-OG 3.28Å; T117-Y230 PolarHBondContact OG1-O 3.09Å; T117-E232 HydrophobicContact CG2-CB 4.03Å; T117-E232 HydrophobicContact CG2-CG 3.92Å; T117-E232 WeakPolarHBondContact CG2-OE2 3.23Å |
| 118 | L | 91.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -27.3 | 174.6 | -64.6 | 169.1 | 0 | 0 | 0 | 112 | F67 I71 L83 F109 I115 T116 S120 V121 H122 F124 L231 | F67-L118 HydrophobicContact CZ-CD1 4.1Å; I71-L118 HydrophobicContact CD1-CD2 4.31Å; L83-L118 HydrophobicContact CD1-CD1 4.44Å; F109-L118 HydrophobicContact CE1-CD1 3.62Å; F109-L118 HydrophobicContact CZ-CD1 3.56Å; I115-L118 WeakPolarHBondContact O-CB 3.28Å; I115-L118 PolarHBondContact O-N 3.43Å; I115-L118 VanDerWaalsContact O-N 3.08Å; T116-L118 VanDerWaalsContact C-N 3.26Å; T116-L118 PolarHBondContact O-N 3.03Å; L118-S120 PolarHBondContact O-N 2.84Å; L118-V121 WeakPolarHBondContact O-CA 3.24Å; L118-V121 VanDerWaalsContact O-CB 3.3Å; L118-V121 WeakPolarHBondContact O-CB 3.21Å; L118-V121 PolarHBondContact O-N 3.41Å; L118-H122 PolarHBondContact O-N 2.91Å; L118-F124 HydrophobicContact CB-CD2 3.71Å; L118-F124 HydrophobicContact CB-CE2 3.66Å; L118-F124 HydrophobicContact CB-CG 4.34Å; L118-F124 HydrophobicContact CB-CZ 4.22Å; L118-F124 WeakPolarHBondContact O-CE2 3.48Å; L118-L231 HydrophobicContact CD2-CD2 4.38Å |
| 119 | L | 91.5 | Very high | 94.5 | Very high | 83 Ų | 83 | 41 Ų | 41 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.4 | -175.1 | -63 | 177 | 0 | 0 | 0 | 113.8 | T116 V121 F124 | T116-L119 WeakPolarHBondContact O-CB 3.34Å; T116-L119 PolarHBondContact O-N 3.33Å; L119-V121 PolarHBondContact O-N 2.93Å; L119-F124 HydrophobicContact CD2-CB 4.4Å; L119-F124 HydrophobicContact CD2-CD2 4.44Å |
| 120 | S | 90.7 | Very high | 94.6 | Very high | 94 Ų | 94 | 40.9 Ų | 40.9 | 66% | 0.657 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.6 | 171.6 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | T117 L118 | T117-S120 PolarHBondContact O-OG 3.28Å; L118-S120 PolarHBondContact O-N 2.84Å |
| 121 | V | 92.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -47 | -175.9 | -177 | 0 | 0 | 0 | 0 | 111.1 | I71 I75 L118 L119 F227 Y230 | I71-V121 HydrophobicContact CG2-CG1 4.02Å; I75-V121 HydrophobicContact CD1-CG1 3.81Å; L118-V121 WeakPolarHBondContact O-CA 3.24Å; L118-V121 VanDerWaalsContact O-CB 3.3Å; L118-V121 WeakPolarHBondContact O-CB 3.21Å; L118-V121 PolarHBondContact O-N 3.41Å; L119-V121 PolarHBondContact O-N 2.93Å; V121-F227 HydrophobicContact CG1-CD1 3.84Å; V121-F227 HydrophobicContact CG1-CE1 3.76Å; V121-Y230 HydrophobicContact CG2-CD1 3.45Å; V121-Y230 VanDerWaalsContact CG2-CD1 3.45Å; V121-Y230 HydrophobicContact CG2-CD2 3.37Å; V121-Y230 HydrophobicContact CG2-CE1 3.62Å; V121-Y230 HydrophobicContact CG2-CE2 3.55Å; V121-Y230 HydrophobicContact CG2-CG 3.32Å |
| 122 | H | 95.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -162.6 | 177.9 | -174.7 | -163.5 | 43.4 | 0 | 0 | 0 | 111.1 | A74 I75 R79 L118 F124 | A74-H122 PolarHBondContact O-NE2 2.89Å; A74-H122 VanDerWaalsContact O-NE2 3.12Å; I75-H122 HydrophobicContact CD1-CB 4.45Å; I75-H122 HydrophobicContact CG1-CB 3.78Å; R79-H122 PolarHBondContact O-NE2 3.13Å; L118-H122 PolarHBondContact O-N 2.91Å; H122-F124 HydrophobicContact CB-CD2 4.43Å; H122-F124 HydrophobicContact CB-CE2 3.59Å; H122-F124 HydrophobicContact CB-CZ 3.73Å; H122-F124 WeakPolarHBondContact O-CD2 3.47Å; H122-F124 WeakPolarHBondContact O-CE2 3.48Å |
| 123 | Q | 95.8 | Very high | 94.8 | Very high | 116 Ų | 116 | 46.9 Ų | 46.9 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | trans | -82.2 | 129.7 | 172.8 | -62 | -58.9 | -47.7 | 0 | 0 | 111.3 | T80 L81 | T80-Q123 HydrophobicContact CG2-CB 4.08Å; L81-Q123 PolarHBondContact N-O 3Å | ||
| 124 | F | 96.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.2 | -179.6 | -59.4 | -85.1 | 0 | 0 | 0 | 111.5 | I71 L81 L83 L118 L119 H122 | I71-F124 HydrophobicContact CG1-CE1 4.14Å; I71-F124 HydrophobicContact CG1-CZ 4.22Å; I71-F124 HydrophobicContact CG2-CZ 4.37Å; L81-F124 HydrophobicContact CB-CD1 3.79Å; L81-F124 HydrophobicContact CB-CE1 3.94Å; L81-F124 HydrophobicContact CD2-CD1 4.19Å; L81-F124 HydrophobicContact CD2-CE1 3.82Å; L81-F124 HydrophobicContact CG-CD1 4.35Å; L81-F124 HydrophobicContact CG-CE1 4.4Å; L81-F124 WeakPolarHBondContact O-CA 3.4Å; L83-F124 HydrophobicContact CD1-CB 4.01Å; L83-F124 HydrophobicContact CD2-CB 4.43Å; L83-F124 HydrophobicContact CD2-CD1 3.56Å; L83-F124 HydrophobicContact CD2-CE1 4.25Å; L83-F124 HydrophobicContact CD2-CG 4.33Å; L83-F124 HydrophobicContact CG-CB 4.14Å; L83-F124 HydrophobicContact CG-CD1 4.17Å; L118-F124 HydrophobicContact CB-CD2 3.71Å; L118-F124 HydrophobicContact CB-CE2 3.66Å; L118-F124 HydrophobicContact CB-CG 4.34Å; L118-F124 HydrophobicContact CB-CZ 4.22Å; L118-F124 WeakPolarHBondContact O-CE2 3.48Å; L119-F124 HydrophobicContact CD2-CB 4.4Å; L119-F124 HydrophobicContact CD2-CD2 4.44Å; H122-F124 HydrophobicContact CB-CD2 4.43Å; H122-F124 HydrophobicContact CB-CE2 3.59Å; H122-F124 HydrophobicContact CB-CZ 3.73Å; H122-F124 WeakPolarHBondContact O-CD2 3.47Å; H122-F124 WeakPolarHBondContact O-CE2 3.48Å |
| 125 | I | 96.1 | Very high | 94.8 | Very high | 26 Ų | 26 | 47.7 Ų | 47.7 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 142.9 | 171.1 | -172.6 | 170.2 | 0 | 0 | 0 | 108.8 | Y50 T80 L81 V82 L83 F130 K134 | Y50-I125 HydrophobicContact CD1-CG2 4.18Å; Y50-I125 HydrophobicContact CE1-CG2 4.11Å; T80-I125 HydrophobicContact CG2-CB 4.44Å; T80-I125 HydrophobicContact CG2-CG2 3.94Å; L81-I125 PolarHBondContact O-N 3.38Å; L81-I125 VanDerWaalsContact O-N 3.15Å; V82-I125 CarbonylContact C-O 2.91Å; V82-I125 VanDerWaalsContact CA-O 3.29Å; V82-I125 WeakPolarHBondContact CA-O 3.41Å; V82-I125 HydrophobicContact CB-CG2 4.36Å; V82-I125 HydrophobicContact CG1-CG2 4.47Å; V82-I125 HydrophobicContact CG2-CG2 3.87Å; L83-I125 PolarHBondContact N-O 2.81Å; I125-F130 HydrophobicContact CD1-CB 4.23Å; I125-F130 HydrophobicContact CG1-CB 4.39Å; I125-F130 HydrophobicContact CG2-CB 4.09Å; I125-F130 HydrophobicContact CG2-CD2 4.34Å; I125-K134 HydrophobicContact CD1-CG 4.04Å |
| 126 | S | 96.9 | Very high | 94.9 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 149.3 | 173.8 | 71.6 | 0 | 0 | 0 | 0 | 111.4 | E128 S129 F130 | S126-E128 WeakPolarHBondContact CB-OE2 3.49Å; S126-E128 PolarHBondContact O-N 3.4Å; S126-S129 PolarHBondContact O-N 3.46Å; S126-S129 VanDerWaalsContact O-N 3.17Å; S126-S129 VanDerWaalsContact OG-CB 3.3Å; S126-S129 WeakPolarHBondContact OG-CB 3.21Å; S126-S129 PolarHBondContact OG-N 2.58Å; S126-S129 VanDerWaalsContact OG-N 3.17Å; S126-F130 WeakPolarHBondContact O-CB 3.37Å; S126-F130 PolarHBondContact O-N 3.34Å |
| 127 | L | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 176.5 | -177.3 | 56.5 | 0 | 0 | 0 | 111.8 | V82 L83 S129 F130 M131 F171 F175 | V82-L127 VanDerWaalsContact CG1-CA 3.47Å; V82-L127 HydrophobicContact CG1-CB 3.84Å; V82-L127 HydrophobicContact CG1-CD1 3.6Å; V82-L127 HydrophobicContact CG1-CG 4.32Å; L83-L127 WeakPolarHBondContact O-CB 3.35Å; L83-L127 PolarHBondContact O-N 3.44Å; L127-S129 PolarHBondContact O-N 3.22Å; L127-F130 HydrophobicContact CD1-CD1 4.18Å; L127-F130 PolarHBondContact O-N 3.26Å; L127-M131 HydrophobicContact CD1-CG 3.75Å; L127-M131 HydrophobicContact CD1-SD 4.24Å; L127-M131 HydrophobicContact CG-CG 4.21Å; L127-M131 WeakPolarHBondContact O-CB 3.45Å; L127-M131 WeakPolarHBondContact O-CG 3.37Å; L127-M131 PolarHBondContact O-N 2.93Å; L127-F171 HydrophobicContact CD2-CE1 4.23Å; L127-F171 HydrophobicContact CD2-CE2 4.2Å; L127-F171 HydrophobicContact CD2-CZ 3.57Å; L127-F175 HydrophobicContact CB-CE1 4.41Å; L127-F175 HydrophobicContact CB-CZ 4.27Å; L127-F175 HydrophobicContact CD2-CD1 4.4Å; L127-F175 HydrophobicContact CD2-CD2 3.59Å; L127-F175 HydrophobicContact CD2-CE1 4.17Å; L127-F175 HydrophobicContact CD2-CE2 3.33Å; L127-F175 HydrophobicContact CD2-CG 4.13Å; L127-F175 HydrophobicContact CD2-CZ 3.64Å; L127-F175 HydrophobicContact CG-CD1 4.1Å; L127-F175 HydrophobicContact CG-CD2 4.17Å; L127-F175 HydrophobicContact CG-CE1 3.88Å; L127-F175 HydrophobicContact CG-CE2 3.99Å; L127-F175 HydrophobicContact CG-CG 4.23Å; L127-F175 HydrophobicContact CG-CZ 3.83Å |
| 128 | E | 95.3 | Very high | 95 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 174.4 | -61.2 | 77.7 | -175.2 | 0 | 0 | 111.4 | S126 M131 L132 F175 | S126-E128 WeakPolarHBondContact CB-OE2 3.49Å; S126-E128 PolarHBondContact O-N 3.4Å; E128-M131 PolarHBondContact O-N 3.45Å; E128-L132 WeakPolarHBondContact O-CB 3.35Å; E128-L132 PolarHBondContact O-N 3.19Å; E128-L132 VanDerWaalsContact O-N 3.1Å; E128-F175 HydrophobicContact CG-CE1 4.1Å |
| 129 | S | 96 | Very high | 95.2 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | S126 L127 L132 N133 | S126-S129 PolarHBondContact O-N 3.46Å; S126-S129 VanDerWaalsContact O-N 3.17Å; S126-S129 VanDerWaalsContact OG-CB 3.3Å; S126-S129 WeakPolarHBondContact OG-CB 3.21Å; S126-S129 PolarHBondContact OG-N 2.58Å; S126-S129 VanDerWaalsContact OG-N 3.17Å; L127-S129 PolarHBondContact O-N 3.22Å; S129-L132 PolarHBondContact O-N 2.82Å; S129-N133 VanDerWaalsContact O-CB 3.24Å; S129-N133 WeakPolarHBondContact O-CB 3.38Å; S129-N133 PolarHBondContact O-N 3.08Å; S129-N133 PolarHBondContact O-ND2 2.76Å; S129-N133 VanDerWaalsContact O-ND2 3.12Å; S129-N133 PolarHBondContact OG-ND2 3.16Å |
| 130 | F | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -49 | 175.2 | 174.8 | -96.9 | 0 | 0 | 0 | 111.5 | Y50 V82 I125 S126 L127 L132 K134 A135 I138 W139 V208 | Y50-F130 AromaticContact CD1-CD2 3.69Å; Y50-F130 HydrophobicContact CD1-CD2 3.69Å; Y50-F130 AromaticContact CD1-CE2 3.61Å; Y50-F130 HydrophobicContact CD1-CE2 3.61Å; Y50-F130 AromaticContact CD2-CE2 3.96Å; Y50-F130 HydrophobicContact CD2-CE2 3.96Å; Y50-F130 AromaticContact CE1-CD2 3.93Å; Y50-F130 HydrophobicContact CE1-CD2 3.93Å; Y50-F130 HydrophobicContact CE1-CE2 4.05Å; Y50-F130 HydrophobicContact CE2-CE2 4.39Å; Y50-F130 HydrophobicContact CG-CD2 4.14Å; Y50-F130 AromaticContact CG-CE2 3.56Å; Y50-F130 HydrophobicContact CG-CE2 3.56Å; Y50-F130 HydrophobicContact CG-CZ 4.49Å; V82-F130 HydrophobicContact CG1-CB 3.76Å; V82-F130 HydrophobicContact CG1-CD1 4.15Å; V82-F130 HydrophobicContact CG1-CG 3.93Å; V82-F130 HydrophobicContact CG2-CB 4.26Å; V82-F130 HydrophobicContact CG2-CD1 4.26Å; V82-F130 HydrophobicContact CG2-CD2 3.69Å; V82-F130 HydrophobicContact CG2-CE2 4.1Å; V82-F130 HydrophobicContact CG2-CG 3.79Å; I125-F130 HydrophobicContact CD1-CB 4.23Å; I125-F130 HydrophobicContact CG1-CB 4.39Å; I125-F130 HydrophobicContact CG2-CB 4.09Å; I125-F130 HydrophobicContact CG2-CD2 4.34Å; S126-F130 WeakPolarHBondContact O-CB 3.37Å; S126-F130 PolarHBondContact O-N 3.34Å; L127-F130 HydrophobicContact CD1-CD1 4.18Å; L127-F130 PolarHBondContact O-N 3.26Å; F130-L132 VanDerWaalsContact C-N 3.31Å; F130-L132 PolarHBondContact O-N 2.96Å; F130-K134 HydrophobicContact CD2-CB 3.75Å; F130-K134 HydrophobicContact CD2-CG 4.21Å; F130-K134 HydrophobicContact CE2-CB 3.91Å; F130-K134 HydrophobicContact CG-CB 4.48Å; F130-K134 WeakPolarHBondContact O-CA 3.48Å; F130-K134 WeakPolarHBondContact O-CB 3.23Å; F130-K134 PolarHBondContact O-N 3.47Å; F130-A135 HydrophobicContact CD1-CB 4.27Å; F130-A135 HydrophobicContact CE1-CB 3.89Å; F130-A135 HydrophobicContact CZ-CB 4.35Å; F130-A135 PolarHBondContact O-N 2.93Å; F130-I138 HydrophobicContact CE2-CD1 4.1Å; F130-W139 AromaticContact CE1-CE3 3.96Å; F130-W139 HydrophobicContact CE1-CE3 3.96Å; F130-W139 HydrophobicContact CE1-CZ3 4.44Å; F130-V208 HydrophobicContact CE2-CG2 4.35Å; F130-V208 HydrophobicContact CZ-CG1 4.11Å; F130-V208 HydrophobicContact CZ-CG2 3.69Å |
| 131 | M | 97.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 49 Ų | 49 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -33.3 | -179.1 | -70 | -56.7 | -62.7 | 0 | 0 | 112.7 | L127 E128 A135 P136 W139 F175 V177 | L127-M131 HydrophobicContact CD1-CG 3.75Å; L127-M131 HydrophobicContact CD1-SD 4.24Å; L127-M131 HydrophobicContact CG-CG 4.21Å; L127-M131 WeakPolarHBondContact O-CB 3.45Å; L127-M131 WeakPolarHBondContact O-CG 3.37Å; L127-M131 PolarHBondContact O-N 2.93Å; E128-M131 PolarHBondContact O-N 3.45Å; M131-A135 HydrophobicContact CE-CB 4.24Å; M131-A135 HydrophobicContact SD-CB 3.85Å; M131-P136 WeakPolarHBondContact O-CD 3.38Å; M131-W139 HydrophobicContact CE-CZ3 4.46Å; M131-W139 HydrophobicContact SD-CE3 4.26Å; M131-W139 HydrophobicContact SD-CZ3 3.96Å; M131-F175 HydrophobicContact CB-CD1 4.47Å; M131-F175 HydrophobicContact CE-CB 4.32Å; M131-F175 WeakPolarHBondContact CE-O 3.42Å; M131-F175 HydrophobicContact CG-CB 4.15Å; M131-F175 HydrophobicContact CG-CD1 4Å; M131-F175 HydrophobicContact CG-CG 4.33Å; M131-V177 HydrophobicContact CE-CG2 3.56Å; M131-V177 HydrophobicContact SD-CG2 4.2Å |
| 132 | L | 96.1 | Very high | 95.8 | Very high | 129 Ų | 129 | 52.6 Ų | 52.6 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -76.6 | -47 | 177 | -176.4 | 65.4 | 0 | 0 | 0 | 112.5 | E128 S129 F130 | E128-L132 WeakPolarHBondContact O-CB 3.35Å; E128-L132 PolarHBondContact O-N 3.19Å; E128-L132 VanDerWaalsContact O-N 3.1Å; S129-L132 PolarHBondContact O-N 2.82Å; F130-L132 VanDerWaalsContact C-N 3.31Å; F130-L132 PolarHBondContact O-N 2.96Å |
| 133 | N | 95.5 | Very high | 95.7 | Very high | 96 Ų | 96 | 58.6 Ų | 58.6 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -107.1 | -20.7 | -162.1 | -58.4 | -50.8 | 0 | 0 | 0 | 114.5 | S129 | S129-N133 VanDerWaalsContact O-CB 3.24Å; S129-N133 WeakPolarHBondContact O-CB 3.38Å; S129-N133 PolarHBondContact O-N 3.08Å; S129-N133 PolarHBondContact O-ND2 2.76Å; S129-N133 VanDerWaalsContact O-ND2 3.12Å; S129-N133 PolarHBondContact OG-ND2 3.16Å |
| 134 | K | 95.5 | Very high | 95.8 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -52.1 | -174 | -57.2 | -61 | -175.3 | -178.7 | 0 | 111.6 | I125 F130 V137 I138 | I125-K134 HydrophobicContact CD1-CG 4.04Å; F130-K134 HydrophobicContact CD2-CB 3.75Å; F130-K134 HydrophobicContact CD2-CG 4.21Å; F130-K134 HydrophobicContact CE2-CB 3.91Å; F130-K134 HydrophobicContact CG-CB 4.48Å; F130-K134 WeakPolarHBondContact O-CA 3.48Å; F130-K134 WeakPolarHBondContact O-CB 3.23Å; F130-K134 PolarHBondContact O-N 3.47Å; K134-V137 PolarHBondContact O-N 3.36Å; K134-V137 VanDerWaalsContact O-N 3.08Å; K134-I138 HydrophobicContact CB-CD1 4.26Å; K134-I138 HydrophobicContact CB-CG1 4.42Å; K134-I138 WeakPolarHBondContact O-CG1 3.31Å; K134-I138 PolarHBondContact O-N 3.49Å; K134-I138 VanDerWaalsContact O-N 3.17Å |
| 135 | A | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52.9 | -39.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F130 M131 V137 W139 | F130-A135 HydrophobicContact CD1-CB 4.27Å; F130-A135 HydrophobicContact CE1-CB 3.89Å; F130-A135 HydrophobicContact CZ-CB 4.35Å; F130-A135 PolarHBondContact O-N 2.93Å; M131-A135 HydrophobicContact CE-CB 4.24Å; M131-A135 HydrophobicContact SD-CB 3.85Å; A135-V137 PolarHBondContact O-N 3.44Å; A135-V137 VanDerWaalsContact O-N 3.13Å; A135-W139 HydrophobicContact CB-CB 4.46Å; A135-W139 HydrophobicContact CB-CE3 4.32Å; A135-W139 CarbonylContact O-C 3.43Å; A135-W139 VanDerWaalsContact O-CA 3.28Å; A135-W139 WeakPolarHBondContact O-CA 3.38Å; A135-W139 PolarHBondContact O-N 2.9Å; A135-W139 VanDerWaalsContact O-O 3.05Å |
| 136 | P | 94.8 | Very high | 95.9 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.3 | -28.8 | -179.7 | -26.2 | 36.5 | 0 | 0 | 0 | 114.1 | M131 | M131-P136 WeakPolarHBondContact O-CD 3.38Å |
| 137 | V | 93.4 | Very high | 96 | Very high | 124 Ų | 124 | 52.5 Ų | 52.5 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -93.9 | -52.3 | -178.1 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | K134 A135 | K134-V137 PolarHBondContact O-N 3.36Å; K134-V137 VanDerWaalsContact O-N 3.08Å; A135-V137 PolarHBondContact O-N 3.44Å; A135-V137 VanDerWaalsContact O-N 3.13Å |
| 138 | I | 93.8 | Very high | 96 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -94.5 | -18.1 | -170.7 | 64.6 | 164.8 | 0 | 0 | 0 | 113.9 | Y50 F130 K134 P207 V208 | Y50-I138 HydrophobicContact CD2-CD1 3.38Å; Y50-I138 HydrophobicContact CE2-CD1 3.23Å; Y50-I138 HydrophobicContact CG-CD1 4.42Å; F130-I138 HydrophobicContact CE2-CD1 4.1Å; K134-I138 HydrophobicContact CB-CD1 4.26Å; K134-I138 HydrophobicContact CB-CG1 4.42Å; K134-I138 WeakPolarHBondContact O-CG1 3.31Å; K134-I138 PolarHBondContact O-N 3.49Å; K134-I138 VanDerWaalsContact O-N 3.17Å; I138-P207 HydrophobicContact CB-CB 4.49Å; I138-P207 WeakPolarHBondContact O-CG 3.44Å; I138-V208 HydrophobicContact CD1-CG2 4.22Å |
| 139 | W | 95.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -140.6 | 56.4 | -176.4 | -163.7 | 55.1 | 0 | 0 | 0 | 111.9 | F130 M131 A135 R144 W172 V177 F179 V208 A210 | F130-W139 AromaticContact CE1-CE3 3.96Å; F130-W139 HydrophobicContact CE1-CE3 3.96Å; F130-W139 HydrophobicContact CE1-CZ3 4.44Å; M131-W139 HydrophobicContact CE-CZ3 4.46Å; M131-W139 HydrophobicContact SD-CE3 4.26Å; M131-W139 HydrophobicContact SD-CZ3 3.96Å; A135-W139 HydrophobicContact CB-CB 4.46Å; A135-W139 HydrophobicContact CB-CE3 4.32Å; A135-W139 CarbonylContact O-C 3.43Å; A135-W139 VanDerWaalsContact O-CA 3.28Å; A135-W139 WeakPolarHBondContact O-CA 3.38Å; A135-W139 PolarHBondContact O-N 2.9Å; A135-W139 VanDerWaalsContact O-O 3.05Å; W139-R144 HydrophobicContact CD2-CG 3.83Å; W139-R144 HydrophobicContact CE3-CG 4.31Å; W139-R144 HydrophobicContact CG-CG 4.25Å; W139-R144 HydrophobicContact CH2-CB 4.49Å; W139-R144 HydrophobicContact CH2-CG 4.32Å; W139-R144 HydrophobicContact CZ2-CB 3.76Å; W139-R144 HydrophobicContact CZ2-CG 3.83Å; W139-R144 PolarHBondContact O-NE 3.45Å; W139-W172 HydrophobicContact CH2-CZ3 4.46Å; W139-V177 HydrophobicContact CH2-CG1 3.77Å; W139-V177 HydrophobicContact CH2-CG2 4.22Å; W139-V177 HydrophobicContact CZ3-CG1 4.35Å; W139-V177 HydrophobicContact CZ3-CG2 4Å; W139-F179 HydrophobicContact CH2-CE1 4.19Å; W139-F179 HydrophobicContact CZ2-CD1 4.48Å; W139-F179 AromaticContact CZ2-CE1 3.94Å; W139-F179 HydrophobicContact CZ2-CE1 3.94Å; W139-V208 HydrophobicContact CB-CB 4.42Å; W139-V208 HydrophobicContact CB-CG2 3.63Å; W139-V208 HydrophobicContact CD2-CB 4.26Å; W139-V208 HydrophobicContact CD2-CG1 4.17Å; W139-V208 HydrophobicContact CD2-CG2 4.29Å; W139-V208 HydrophobicContact CG-CB 3.92Å; W139-V208 HydrophobicContact CG-CG1 4.35Å; W139-V208 HydrophobicContact CG-CG2 3.66Å; W139-A210 HydrophobicContact CH2-CB 4.07Å; W139-A210 HydrophobicContact CZ2-CB 3.58Å |
| 140 | P | 95.7 | Very high | 96.1 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | trans | -62.4 | 157.1 | -177.7 | 29.2 | -36.7 | 0 | 0 | 0 | 110.5 | T142 K143 R144 | P140-T142 PolarHBondContact O-N 2.8Å; P140-K143 HydrophobicContact CG-CB 4.11Å; P140-K143 HydrophobicContact CG-CD 4.04Å; P140-K143 HydrophobicContact CG-CG 4.02Å; P140-K143 PolarHBondContact O-N 3.33Å; P140-R144 WeakPolarHBondContact O-CG 3.31Å | ||
| 141 | A | 96.5 | Very high | 96.1 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -51.7 | -30.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | K143 T180 | A141-K143 VanDerWaalsContact C-N 3.31Å; A141-K143 PolarHBondContact O-N 3.17Å; A141-T180 WeakPolarHBondContact O-CG2 3.48Å |
| 142 | T | 95.4 | Very high | 95.9 | Very high | 111 Ų | 111 | 64.7 Ų | 64.7 | 68% | 0.681 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -77.5 | -7.7 | 179.7 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | P140 | P140-T142 PolarHBondContact O-N 2.8Š|
| 143 | K | 93.8 | Very high | 95.8 | Very high | 147 Ų | 147 | 64.1 Ų | 64.1 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -123.3 | 18 | -176.2 | -65.2 | -170 | 174.9 | -173.1 | 0 | 113.3 | P140 A141 T145 | P140-K143 HydrophobicContact CG-CB 4.11Å; P140-K143 HydrophobicContact CG-CD 4.04Å; P140-K143 HydrophobicContact CG-CG 4.02Å; P140-K143 PolarHBondContact O-N 3.33Å; A141-K143 VanDerWaalsContact C-N 3.31Å; A141-K143 PolarHBondContact O-N 3.17Å; K143-T145 PolarHBondContact O-N 3.47Å |
| 144 | R | 97.4 | Very high | 95.7 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 10% | 0.102 | 34% | 0.34 | C | S | . | . | trans | -86.3 | 99.5 | -173.9 | -60.3 | -169.3 | 179.7 | 156.8 | -8.6 | 111.1 | W139 P140 N176 S178 F179 T180 | W139-R144 HydrophobicContact CD2-CG 3.83Å; W139-R144 HydrophobicContact CE3-CG 4.31Å; W139-R144 HydrophobicContact CG-CG 4.25Å; W139-R144 HydrophobicContact CH2-CB 4.49Å; W139-R144 HydrophobicContact CH2-CG 4.32Å; W139-R144 HydrophobicContact CZ2-CB 3.76Å; W139-R144 HydrophobicContact CZ2-CG 3.83Å; W139-R144 PolarHBondContact O-NE 3.45Å; P140-R144 WeakPolarHBondContact O-CG 3.31Å; R144-N176 PolarHBondContact NH1-O 2.7Å; R144-S178 WeakPolarHBondContact CB-O 3.31Å; R144-F179 HydrophobicContact CB-CD1 4.23Å; R144-F179 CarbonylContact O-C 3.56Å; R144-F179 WeakPolarHBondContact O-CA 3.18Å; R144-F179 WeakPolarHBondContact O-CB 3.44Å; R144-T180 PolarHBondContact N-OG1 3.01Å; R144-T180 PolarHBondContact O-N 2.91Å; R144-T180 PolarHBondContact O-OG1 3.38Å | ||
| 145 | T | 97.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 19% | 0.19 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.7 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | K143 L147 G181 S183 | K143-T145 PolarHBondContact O-N 3.47Å; T145-L147 HydrophobicContact CG2-CD1 4.41Å; T145-G181 WeakPolarHBondContact CA-O 3.39Å; T145-S183 WeakPolarHBondContact CG2-OG 3.5Å |
| 146 | A | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 138.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | C160 A162 F179 G181 S182 S183 I212 | A146-C160 HydrophobicContact CB-CB 4.05Å; A146-A162 HydrophobicContact CB-CB 3.73Å; A146-F179 HydrophobicContact CB-CB 4.18Å; A146-F179 HydrophobicContact CB-CD1 3.65Å; A146-F179 HydrophobicContact CB-CD2 4.13Å; A146-F179 HydrophobicContact CB-CE1 3.96Å; A146-F179 HydrophobicContact CB-CE2 4.42Å; A146-F179 HydrophobicContact CB-CG 3.72Å; A146-F179 HydrophobicContact CB-CZ 4.34Å; A146-G181 PolarHBondContact N-O 3.4Å; A146-S182 CarbonylContact O-C 3.55Å; A146-S182 VanDerWaalsContact O-CA 3.32Å; A146-S182 WeakPolarHBondContact O-CA 3.46Å; A146-S183 PolarHBondContact O-N 3.1Å; A146-I212 HydrophobicContact CB-CG2 4.13Å |
| 147 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.7 | 176.3 | -83.1 | 71 | 0 | 0 | 0 | 111.2 | T145 S183 F201 L209 A210 F211 I212 | T145-L147 HydrophobicContact CG2-CD1 4.41Å; L147-S183 WeakPolarHBondContact CA-O 3.48Å; L147-F201 HydrophobicContact CD2-CD1 4.17Å; L147-F201 HydrophobicContact CD2-CE1 3.98Å; L147-F201 HydrophobicContact CD2-CE2 4.37Å; L147-F201 HydrophobicContact CD2-CG 4.46Å; L147-F201 HydrophobicContact CD2-CZ 4.08Å; L147-F201 HydrophobicContact CG-CE1 4.31Å; L147-L209 HydrophobicContact CD2-CB 4.01Å; L147-L209 HydrophobicContact CD2-CD2 3.92Å; L147-L209 HydrophobicContact CD2-CG 4.43Å; L147-A210 PolarHBondContact N-O 3.21Å; L147-F211 HydrophobicContact CB-CD1 3.84Å; L147-F211 HydrophobicContact CB-CE1 4.05Å; L147-F211 HydrophobicContact CB-CG 4.27Å; L147-F211 HydrophobicContact CD2-CE1 4.11Å; L147-F211 HydrophobicContact CD2-CZ 4.04Å; L147-F211 WeakPolarHBondContact O-CA 3.46Å; L147-I212 PolarHBondContact O-N 3.4Å; L147-I212 VanDerWaalsContact O-N 3.1Å |
| 148 | C | 97.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 164.2 | 173.3 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | R150 C160 S183 F184 Y185 I212 | C148-R150 PolarHBondContact O-N 3.11Å; C148-R150 PolarHBondContact SG-O 3.37Å; C148-C160 HydrophobicContact CB-CB 3.75Å; C148-C160 WeakPolarHBondContact CB-SG 3.5Å; C148-C160 PolarHBondContact N-SG 3.35Å; C148-C160 WeakPolarHBondContact SG-CA 3.44Å; C148-C160 WeakPolarHBondContact SG-CB 3Å; C148-C160 CovalentContact SG-SG 2.04Å; C148-C160 PolarHBondContact SG-SG 2.82Å; C148-S183 PolarHBondContact N-O 3Å; C148-F184 VanDerWaalsContact O-CA 3.27Å; C148-F184 WeakPolarHBondContact O-CA 3.49Å; C148-F184 VanDerWaalsContact SG-CD1 3.55Å; C148-F184 VanDerWaalsContact SG-CE1 3.58Å; C148-Y185 WeakPolarHBondContact O-CD1 3.5Å; C148-Y185 PolarHBondContact O-N 3.13Å; C148-Y185 VanDerWaalsContact O-N 3.17Å; C148-I212 HydrophobicContact CB-CD1 3.38Å; C148-I212 HydrophobicContact CB-CG1 3.85Å |
| 149 | F | 96.3 | Very high | 96 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 38% | 0.377 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -62.9 | -47.7 | -176.7 | -174.2 | -129.3 | 0 | 0 | 0 | 111.6 | Y185 F186 | F149-Y185 HydrophobicContact CB-CE1 3.96Å; F149-Y185 HydrophobicContact CB-CE2 4.14Å; F149-Y185 AromaticContact CD2-CD2 3.75Å; F149-Y185 HydrophobicContact CD2-CD2 3.75Å; F149-Y185 AromaticContact CD2-CE2 3.29Å; F149-Y185 HydrophobicContact CD2-CE2 3.29Å; F149-Y185 AromaticContact CD2-CZ 3.72Å; F149-Y185 HydrophobicContact CE2-CD2 4.43Å; F149-Y185 HydrophobicContact CE2-CE2 4.04Å; F149-Y185 HydrophobicContact CG-CE2 4.15Å; F149-F186 HydrophobicContact CD2-CB 4.08Å; F149-F186 HydrophobicContact CD2-CD2 4.45Å; F149-F186 AromaticContact CE1-CD2 3.92Å; F149-F186 HydrophobicContact CE1-CD2 3.92Å; F149-F186 HydrophobicContact CE2-CB 4.07Å; F149-F186 AromaticContact CE2-CD2 3.7Å; F149-F186 HydrophobicContact CE2-CD2 3.7Å; F149-F186 HydrophobicContact CE2-CG 4.4Å; F149-F186 HydrophobicContact CZ-CB 4.49Å; F149-F186 AromaticContact CZ-CD2 3.42Å; F149-F186 HydrophobicContact CZ-CD2 3.42Å; F149-F186 VanDerWaalsContact CZ-CD2 3.42Å; F149-F186 HydrophobicContact CZ-CE2 4.13Å; F149-F186 HydrophobicContact CZ-CG 4.42Å; F149-F186 WeakPolarHBondContact O-CB 3.41Å; F149-F186 PolarHBondContact O-N 3.49Å; F149-F186 VanDerWaalsContact O-N 3.13Å |
| 150 | R | 96.3 | Very high | 96.1 | Very high | 129 Ų | 129 | 70.6 Ų | 70.6 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -148.2 | 163.9 | 179.9 | -70.5 | -175.3 | -179.2 | 170.5 | -3 | 108.6 | C148 R152 F186 | C148-R150 PolarHBondContact O-N 3.11Å; C148-R150 PolarHBondContact SG-O 3.37Å; R150-R152 PolarHBondContact O-N 2.6Å; R150-F186 HydrophobicContact CG-CB 3.91Å; R150-F186 HydrophobicContact CG-CG 4.22Å |
| 151 | P | 96.9 | Very high | 96.2 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 134.5 | 173.3 | -26.7 | 33.3 | 0 | 0 | 0 | 111.8 | N158 F184 | P151-N158 WeakPolarHBondContact CG-OD1 3.13Å; P151-F184 HydrophobicContact CB-CE1 4.21Å; P151-F184 HydrophobicContact CB-CZ 4.35Å; P151-F184 HydrophobicContact CG-CD1 4.2Å; P151-F184 HydrophobicContact CG-CE1 3.71Å; P151-F184 HydrophobicContact CG-CE2 4.07Å; P151-F184 HydrophobicContact CG-CZ 3.66Å |
| 152 | R | 94.9 | Very high | 96.2 | Very high | 99 Ų | 99 | 66.7 Ų | 66.7 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -100.4 | 148.4 | 177.2 | -73.5 | -175.5 | 69.1 | -165.8 | 5.5 | 109.9 | R150 G154 D159 N161 F168 I212 | R150-R152 PolarHBondContact O-N 2.6Å; R152-G154 PolarHBondContact O-N 2.82Å; R152-D159 PolarHBondContact N-O 2.84Å; R152-N161 PolarHBondContact O-ND2 3.49Å; R152-F168 VanDerWaalsContact NH1-CE1 3.32Å; R152-I212 HydrophobicContact CG-CD1 4.19Å |
| 153 | S | 93.1 | Very high | 96.2 | Very high | 117 Ų | 117 | 63.9 Ų | 63.9 | 82% | 0.818 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -59.1 | 135.9 | 169.6 | -50 | 0 | 0 | 0 | 0 | 110.9 | N164 | S153-N164 PolarHBondContact O-ND2 3.01Š|
| 154 | G | 93.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 60.3 Ų | 60.3 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 170.8 | -172.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | R152 L156 N164 | R152-G154 PolarHBondContact O-N 2.82Å; G154-L156 VanDerWaalsContact C-N 3.26Å; G154-L156 PolarHBondContact O-N 3.49Å; G154-N164 WeakPolarHBondContact CA-ND2 3.47Å |
| 155 | P | 94.9 | Very high | 95.9 | Very high | 108 Ų | 108 | 61 Ų | 61 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -65.5 | -26.8 | -177.5 | 25.6 | -35.4 | 0 | 0 | 0 | 113.8 | N161 | P155-N161 VanDerWaalsContact CD-OD1 3.25Å; P155-N161 WeakPolarHBondContact CD-OD1 3.47Å |
| 156 | L | 95.9 | Very high | 95.5 | Very high | 104 Ų | 104 | 64.7 Ų | 64.7 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -98.5 | 133.9 | 179 | -59.9 | 177.8 | 0 | 0 | 0 | 110.8 | G154 D159 N161 | G154-L156 VanDerWaalsContact C-N 3.26Å; G154-L156 PolarHBondContact O-N 3.49Å; L156-D159 HydrophobicContact CB-CB 3.62Å; L156-D159 HydrophobicContact CD1-CB 4.48Å; L156-N161 PolarHBondContact N-OD1 2.89Å; L156-N161 PolarHBondContact O-ND2 2.89Å |
| 157 | F | 95.5 | Very high | 95.2 | Very high | 201 Ų | 201 | 65.5 Ų | 65.5 | 88% | 0.882 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 140.5 | 175.1 | -178.5 | -102.1 | 0 | 0 | 0 | 111 | D159 | F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.45Å |
| 158 | N | 95.9 | Very high | 94.9 | Very high | 96 Ų | 96 | 67 Ų | 67 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 45.6 | 179.7 | -163.8 | 39.9 | 0 | 0 | 0 | 113.4 | P151 F184 | P151-N158 WeakPolarHBondContact CG-OD1 3.13Å; N158-F184 WeakPolarHBondContact O-CZ 3.47Å |
| 159 | D | 97.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 71.5 Ų | 71.5 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -132.8 | 157.2 | -175.2 | -167.8 | -101 | 0 | 0 | 0 | 111.2 | R152 L156 F157 N161 S182 | R152-D159 PolarHBondContact N-O 2.84Å; L156-D159 HydrophobicContact CB-CB 3.62Å; L156-D159 HydrophobicContact CD1-CB 4.48Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.45Å; D159-N161 PolarHBondContact O-N 2.92Å; D159-N161 PolarHBondContact O-ND2 2.78Å; D159-N161 VanDerWaalsContact OD1-CA 3.29Å; D159-N161 WeakPolarHBondContact OD1-CA 3.4Å; D159-N161 PolarHBondContact OD1-N 2.97Å; D159-S182 PolarHBondContact OD1-OG 3.31Å; D159-S182 WeakPolarHBondContact OD2-CB 3.33Å; D159-S182 PolarHBondContact OD2-OG 3.43Å |
| 160 | C | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | -70.4 | -14.3 | 172.9 | -69.3 | 0 | 0 | 0 | 0 | 113 | A146 C148 A162 S182 I212 | A146-C160 HydrophobicContact CB-CB 4.05Å; C148-C160 HydrophobicContact CB-CB 3.75Å; C148-C160 WeakPolarHBondContact CB-SG 3.5Å; C148-C160 PolarHBondContact N-SG 3.35Å; C148-C160 WeakPolarHBondContact SG-CA 3.44Å; C148-C160 WeakPolarHBondContact SG-CB 3Å; C148-C160 CovalentContact SG-SG 2.04Å; C148-C160 PolarHBondContact SG-SG 2.82Å; C160-A162 PolarHBondContact O-N 2.68Å; C160-S182 WeakPolarHBondContact CB-OG 3.43Å; C160-S182 PolarHBondContact N-OG 3.44Å; C160-I212 HydrophobicContact CB-CD1 4.37Å; C160-I212 HydrophobicContact CB-CG2 3.9Å | ||
| 161 | N | 97.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | trans | 48 | 47.4 | -177.9 | -76.8 | -75 | 0 | 0 | 0 | 110.3 | R152 P155 L156 D159 K163 N164 | R152-N161 PolarHBondContact O-ND2 3.49Å; P155-N161 VanDerWaalsContact CD-OD1 3.25Å; P155-N161 WeakPolarHBondContact CD-OD1 3.47Å; L156-N161 PolarHBondContact N-OD1 2.89Å; L156-N161 PolarHBondContact O-ND2 2.89Å; D159-N161 PolarHBondContact O-N 2.92Å; D159-N161 PolarHBondContact O-ND2 2.78Å; D159-N161 VanDerWaalsContact OD1-CA 3.29Å; D159-N161 WeakPolarHBondContact OD1-CA 3.4Å; D159-N161 PolarHBondContact OD1-N 2.97Å; N161-K163 PolarHBondContact O-N 3.18Å; N161-N164 HydrophobicContact CB-CB 3.9Å; N161-N164 VanDerWaalsContact O-CB 3.23Å; N161-N164 WeakPolarHBondContact O-CB 3.02Å; N161-N164 PolarHBondContact O-N 2.8Å | ||
| 162 | A | 96.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.4 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A146 C160 W172 F179 I212 | A146-A162 HydrophobicContact CB-CB 3.73Å; C160-A162 PolarHBondContact O-N 2.68Å; A162-W172 PolarHBondContact O-NE1 2.97Å; A162-F179 HydrophobicContact CB-CD2 3.51Å; A162-F179 HydrophobicContact CB-CE2 3.52Å; A162-F179 HydrophobicContact CB-CG 4.38Å; A162-F179 HydrophobicContact CB-CZ 4.38Å; A162-I212 HydrophobicContact CB-CG2 3.42Å; A162-I212 VanDerWaalsContact CB-CG2 3.42Å |
| 163 | K | 95.8 | Very high | 94.4 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 17.5 | 179.7 | -62.9 | 176 | 66.3 | 167 | 0 | 111.9 | N161 K169 W172 D173 V177 S178 | N161-K163 PolarHBondContact O-N 3.18Å; K163-K169 HydrophobicContact CB-CB 4.46Å; K163-K169 HydrophobicContact CB-CG 4.46Å; K163-K169 VanDerWaalsContact O-CB 3.31Å; K163-K169 WeakPolarHBondContact O-CB 3.38Å; K163-W172 HydrophobicContact CD-CB 4.21Å; K163-W172 HydrophobicContact CG-CB 4.06Å; K163-W172 HydrophobicContact CG-CG 4.36Å; K163-D173 WeakPolarHBondContact CE-OD1 3.47Å; K163-D173 IonicContact NZ-OD1 3.12Å; K163-D173 PolarHBondContact NZ-OD1 2.92Å; K163-V177 PolarHBondContact NZ-O 3.09Å; K163-S178 PolarHBondContact NZ-OG 3.47Å |
| 164 | N | 94.7 | Very high | 94.4 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -83.2 | 118.9 | 178.7 | -173.3 | 29 | 0 | 0 | 0 | 110.6 | S153 G154 N161 F168 | S153-N164 PolarHBondContact O-ND2 3.01Å; G154-N164 WeakPolarHBondContact CA-ND2 3.47Å; N161-N164 HydrophobicContact CB-CB 3.9Å; N161-N164 VanDerWaalsContact O-CB 3.23Å; N161-N164 WeakPolarHBondContact O-CB 3.02Å; N161-N164 PolarHBondContact O-N 2.8Å; N164-F168 WeakPolarHBondContact O-CD2 3.49Å |
| 165 | G | 90.8 | Very high | 94.4 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 77 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F168 K169 | G165-F168 PolarHBondContact O-N 2.8Å; G165-K169 PolarHBondContact O-N 2.91Å |
| 166 | N | 88.2 | Confident | 94.4 | Very high | 108 Ų | 108 | 57.8 Ų | 57.8 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 139.5 | 176.3 | -174.5 | -56.1 | 0 | 0 | 0 | 109.6 | E170 | N166-E170 WeakPolarHBondContact CA-OE2 3.2Å; N166-E170 PolarHBondContact ND2-OE1 3.04Å; N166-E170 PolarHBondContact ND2-OE2 2.87Å |
| 167 | P | 91.2 | Very high | 94.5 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -92.5 | 10.2 | 5.6 | 36.5 | -35.8 | 0 | 0 | 0 | 114.5 | C56 N87 F106 E170 F171 | C56-P167 HydrophobicContact CB-CG 3.99Å; N87-P167 VanDerWaalsContact ND2-CB 3.29Å; N87-P167 WeakPolarHBondContact ND2-CB 3.29Å; N87-P167 WeakPolarHBondContact ND2-CG 3.28Å; F106-P167 HydrophobicContact CZ-CB 4.35Å; P167-E170 WeakPolarHBondContact CA-OE2 3.22Å; P167-F171 WeakPolarHBondContact O-CB 3.17Å; P167-F171 PolarHBondContact O-N 3.32Å; P167-F171 VanDerWaalsContact O-N 3.09Å |
| 168 | F | 93.6 | Very high | 94.5 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | -172.6 | -61.7 | -88.2 | 0 | 0 | 0 | 112.6 | C56 R152 N164 G165 W172 I212 | C56-F168 HydrophobicContact CB-CD1 3.74Å; C56-F168 HydrophobicContact CB-CE1 3.44Å; C56-F168 VanDerWaalsContact CB-CE1 3.44Å; C56-F168 HydrophobicContact CB-CE2 4.36Å; C56-F168 HydrophobicContact CB-CG 4.31Å; C56-F168 HydrophobicContact CB-CZ 3.78Å; C56-F168 VanDerWaalsContact SG-CA 3.51Å; C56-F168 WeakPolarHBondContact SG-CD1 3.48Å; R152-F168 VanDerWaalsContact NH1-CE1 3.32Å; N164-F168 WeakPolarHBondContact O-CD2 3.49Å; G165-F168 PolarHBondContact O-N 2.8Å; F168-W172 PolarHBondContact O-N 3.1Å; F168-I212 WeakPolarHBondContact CD1-O 3.45Å; F168-I212 VanDerWaalsContact CE1-O 3.3Å; F168-I212 WeakPolarHBondContact CE1-O 3.49Å |
| 169 | K | 93.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 44 Ų | 44 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.6 | -52.6 | -178.5 | -171.7 | 177.3 | -179.9 | -61.7 | 0 | 111.5 | K163 G165 F171 W172 D173 | K163-K169 HydrophobicContact CB-CB 4.46Å; K163-K169 HydrophobicContact CB-CG 4.46Å; K163-K169 VanDerWaalsContact O-CB 3.31Å; K163-K169 WeakPolarHBondContact O-CB 3.38Å; G165-K169 PolarHBondContact O-N 2.91Å; K169-F171 VanDerWaalsContact C-N 3.3Å; K169-F171 PolarHBondContact O-N 3.32Å; K169-W172 PolarHBondContact O-N 2.76Å; K169-D173 WeakPolarHBondContact CG-OD2 3.45Å; K169-D173 IonicContact NZ-OD2 3.92Å; K169-D173 PolarHBondContact NZ-OD2 2.67Å; K169-D173 WeakPolarHBondContact O-CB 3.25Å; K169-D173 PolarHBondContact O-N 2.66Å |
| 170 | E | 92 | Very high | 94.6 | Very high | 75 Ų | 75 | 47 Ų | 47 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | -172.7 | -61.4 | 83.7 | 171.1 | 0 | 0 | 111.6 | F106 N166 P167 K174 | F106-E170 HydrophobicContact CE2-CB 3.85Å; F106-E170 HydrophobicContact CZ-CB 4.29Å; N166-E170 WeakPolarHBondContact CA-OE2 3.2Å; N166-E170 PolarHBondContact ND2-OE1 3.04Å; N166-E170 PolarHBondContact ND2-OE2 2.87Å; P167-E170 WeakPolarHBondContact CA-OE2 3.22Å; E170-K174 WeakPolarHBondContact O-CB 3.1Å; E170-K174 PolarHBondContact O-N 2.67Å; E170-K174 VanDerWaalsContact O-N 3.08Å |
| 171 | F | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 176 | 177.1 | -96.3 | 0 | 0 | 0 | 111.6 | Y53 C54 P55 P84 P85 F106 L127 P167 K169 K174 F175 | Y53-F171 WeakPolarHBondContact O-CZ 3.46Å; C54-F171 HydrophobicContact CB-CD1 3.55Å; C54-F171 HydrophobicContact CB-CE1 3.76Å; C54-F171 HydrophobicContact CB-CG 3.99Å; C54-F171 HydrophobicContact CB-CZ 4.34Å; C54-F171 WeakPolarHBondContact SG-CG 3.36Å; P55-F171 VanDerWaalsContact CD-CE2 3.47Å; P55-F171 HydrophobicContact CG-CE2 4.3Å; P84-F171 HydrophobicContact CB-CE2 3.93Å; P84-F171 HydrophobicContact CB-CZ 3.88Å; P85-F171 HydrophobicContact CG-CD2 4.42Å; P85-F171 HydrophobicContact CG-CE2 3.88Å; F106-F171 AromaticContact CD1-CD2 3.9Å; F106-F171 HydrophobicContact CD1-CD2 3.9Å; F106-F171 HydrophobicContact CE1-CB 3.86Å; F106-F171 AromaticContact CE1-CD2 3.65Å; F106-F171 HydrophobicContact CE1-CD2 3.65Å; F106-F171 HydrophobicContact CE1-CG 4.25Å; F106-F171 HydrophobicContact CE2-CB 4.25Å; F106-F171 VanDerWaalsContact CZ-CA 3.42Å; F106-F171 HydrophobicContact CZ-CB 3.57Å; F106-F171 HydrophobicContact CZ-CD2 4.2Å; F106-F171 HydrophobicContact CZ-CG 4.41Å; L127-F171 HydrophobicContact CD2-CE1 4.23Å; L127-F171 HydrophobicContact CD2-CE2 4.2Å; L127-F171 HydrophobicContact CD2-CZ 3.57Å; P167-F171 WeakPolarHBondContact O-CB 3.17Å; P167-F171 PolarHBondContact O-N 3.32Å; P167-F171 VanDerWaalsContact O-N 3.09Å; K169-F171 VanDerWaalsContact C-N 3.3Å; K169-F171 PolarHBondContact O-N 3.32Å; F171-K174 WeakPolarHBondContact O-CB 3.39Å; F171-F175 WeakPolarHBondContact O-CD2 3.21Å |
| 172 | W | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.6 | -34.4 | -177.4 | -66.7 | 118.5 | 0 | 0 | 0 | 112.5 | T52 C54 W139 A162 K163 F168 K169 K174 F175 N176 V177 F179 | T52-W172 HydrophobicContact CG2-CH2 4.2Å; C54-W172 HydrophobicContact CB-CZ2 4.29Å; W139-W172 HydrophobicContact CH2-CZ3 4.46Å; A162-W172 PolarHBondContact O-NE1 2.97Å; K163-W172 HydrophobicContact CD-CB 4.21Å; K163-W172 HydrophobicContact CG-CB 4.06Å; K163-W172 HydrophobicContact CG-CG 4.36Å; F168-W172 PolarHBondContact O-N 3.1Å; K169-W172 PolarHBondContact O-N 2.76Å; W172-K174 VanDerWaalsContact C-N 3.33Å; W172-K174 PolarHBondContact O-N 2.85Å; W172-F175 PolarHBondContact O-N 2.92Å; W172-N176 PolarHBondContact O-N 3.25Å; W172-V177 HydrophobicContact CB-CB 4.13Å; W172-V177 HydrophobicContact CB-CG1 4.43Å; W172-V177 HydrophobicContact CD2-CB 4.47Å; W172-V177 HydrophobicContact CD2-CG1 4.2Å; W172-V177 HydrophobicContact CE3-CB 3.8Å; W172-V177 HydrophobicContact CE3-CG1 3.64Å; W172-V177 HydrophobicContact CE3-CG2 4.06Å; W172-V177 HydrophobicContact CZ3-CG1 4.27Å; W172-V177 PolarHBondContact O-N 2.96Å; W172-F179 AromaticContact CD1-CE2 3.85Å; W172-F179 AromaticContact CD2-CE2 3.8Å; W172-F179 HydrophobicContact CD2-CE2 3.8Å; W172-F179 AromaticContact CD2-CZ 3.69Å; W172-F179 HydrophobicContact CD2-CZ 3.69Å; W172-F179 AromaticContact CE2-CE2 3.83Å; W172-F179 AromaticContact CE2-CZ 3.59Å; W172-F179 HydrophobicContact CE3-CE2 4.43Å; W172-F179 AromaticContact CE3-CZ 3.98Å; W172-F179 HydrophobicContact CE3-CZ 3.98Å; W172-F179 AromaticContact CG-CE2 3.83Å; W172-F179 HydrophobicContact CG-CE2 3.83Å; W172-F179 HydrophobicContact CG-CZ 4.24Å; W172-F179 HydrophobicContact CH2-CZ 4.06Å; W172-F179 HydrophobicContact CZ2-CE2 4.47Å; W172-F179 AromaticContact CZ2-CZ 3.79Å; W172-F179 HydrophobicContact CZ2-CZ 3.79Å; W172-F179 HydrophobicContact CZ3-CZ 4.15Å; W172-F179 AromaticContact NE1-CE2 3.84Å |
| 173 | D | 94.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 50 Ų | 50 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 175.7 | -79.6 | -12.6 | 0 | 0 | 0 | 112.5 | K163 K169 F175 N176 | K163-D173 WeakPolarHBondContact CE-OD1 3.47Å; K163-D173 IonicContact NZ-OD1 3.12Å; K163-D173 PolarHBondContact NZ-OD1 2.92Å; K169-D173 WeakPolarHBondContact CG-OD2 3.45Å; K169-D173 IonicContact NZ-OD2 3.92Å; K169-D173 PolarHBondContact NZ-OD2 2.67Å; K169-D173 WeakPolarHBondContact O-CB 3.25Å; K169-D173 PolarHBondContact O-N 2.66Å; D173-F175 PolarHBondContact O-N 3Å; D173-N176 PolarHBondContact O-N 3.13Å |
| 174 | K | 92.1 | Very high | 94.7 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -52 | -32.5 | 175 | 171.6 | 169.8 | -173 | 144.8 | 0 | 112.8 | F106 E170 F171 W172 | F106-K174 HydrophobicContact CB-CD 3.62Å; F106-K174 HydrophobicContact CD2-CD 3.9Å; F106-K174 HydrophobicContact CG-CD 4.08Å; F106-K174 PolarHBondContact O-NZ 3.06Å; E170-K174 WeakPolarHBondContact O-CB 3.1Å; E170-K174 PolarHBondContact O-N 2.67Å; E170-K174 VanDerWaalsContact O-N 3.08Å; F171-K174 WeakPolarHBondContact O-CB 3.39Å; W172-K174 VanDerWaalsContact C-N 3.33Å; W172-K174 PolarHBondContact O-N 2.85Å |
| 175 | F | 94.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 48.2 Ų | 48.2 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 14.2 | -178.1 | -63 | -77.7 | 0 | 0 | 0 | 113.4 | P85 L127 E128 M131 F171 W172 D173 V177 | P85-F175 HydrophobicContact CG-CE2 3.79Å; P85-F175 HydrophobicContact CG-CZ 3.8Å; L127-F175 HydrophobicContact CB-CE1 4.41Å; L127-F175 HydrophobicContact CB-CZ 4.27Å; L127-F175 HydrophobicContact CD2-CD1 4.4Å; L127-F175 HydrophobicContact CD2-CD2 3.59Å; L127-F175 HydrophobicContact CD2-CE1 4.17Å; L127-F175 HydrophobicContact CD2-CE2 3.33Å; L127-F175 HydrophobicContact CD2-CG 4.13Å; L127-F175 HydrophobicContact CD2-CZ 3.64Å; L127-F175 HydrophobicContact CG-CD1 4.1Å; L127-F175 HydrophobicContact CG-CD2 4.17Å; L127-F175 HydrophobicContact CG-CE1 3.88Å; L127-F175 HydrophobicContact CG-CE2 3.99Å; L127-F175 HydrophobicContact CG-CG 4.23Å; L127-F175 HydrophobicContact CG-CZ 3.83Å; E128-F175 HydrophobicContact CG-CE1 4.1Å; M131-F175 HydrophobicContact CB-CD1 4.47Å; M131-F175 HydrophobicContact CE-CB 4.32Å; M131-F175 WeakPolarHBondContact CE-O 3.42Å; M131-F175 HydrophobicContact CG-CB 4.15Å; M131-F175 HydrophobicContact CG-CD1 4Å; M131-F175 HydrophobicContact CG-CG 4.33Å; F171-F175 WeakPolarHBondContact O-CD2 3.21Å; W172-F175 PolarHBondContact O-N 2.92Å; D173-F175 PolarHBondContact O-N 3Å; F175-V177 HydrophobicContact CB-CG2 4.04Å; F175-V177 PolarHBondContact O-N 3.36Å |
| 176 | N | 95.2 | Very high | 94.9 | Very high | 139 Ų | 139 | 51 Ų | 51 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.3 | -174.7 | -66.9 | -30.6 | 0 | 0 | 0 | 112.4 | R144 W172 D173 | R144-N176 PolarHBondContact NH1-O 2.7Å; W172-N176 PolarHBondContact O-N 3.25Å; D173-N176 PolarHBondContact O-N 3.13Å |
| 177 | V | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | trans | -94.4 | 120.9 | 176.2 | 176 | 0 | 0 | 0 | 0 | 109.9 | M131 W139 K163 W172 F175 F179 | M131-V177 HydrophobicContact CE-CG2 3.56Å; M131-V177 HydrophobicContact SD-CG2 4.2Å; W139-V177 HydrophobicContact CH2-CG1 3.77Å; W139-V177 HydrophobicContact CH2-CG2 4.22Å; W139-V177 HydrophobicContact CZ3-CG1 4.35Å; W139-V177 HydrophobicContact CZ3-CG2 4Å; K163-V177 PolarHBondContact NZ-O 3.09Å; W172-V177 HydrophobicContact CB-CB 4.13Å; W172-V177 HydrophobicContact CB-CG1 4.43Å; W172-V177 HydrophobicContact CD2-CB 4.47Å; W172-V177 HydrophobicContact CD2-CG1 4.2Å; W172-V177 HydrophobicContact CE3-CB 3.8Å; W172-V177 HydrophobicContact CE3-CG1 3.64Å; W172-V177 HydrophobicContact CE3-CG2 4.06Å; W172-V177 HydrophobicContact CZ3-CG1 4.27Å; W172-V177 PolarHBondContact O-N 2.96Å; F175-V177 HydrophobicContact CB-CG2 4.04Å; F175-V177 PolarHBondContact O-N 3.36Å; V177-F179 HydrophobicContact CG1-CD1 4.5Å; V177-F179 HydrophobicContact CG1-CD2 4.44Å; V177-F179 HydrophobicContact CG1-CE1 4.04Å; V177-F179 HydrophobicContact CG1-CE2 3.95Å; V177-F179 HydrophobicContact CG1-CZ 3.74Å | ||
| 178 | S | 96.4 | Very high | 95.4 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 49% | 0.49 | 27% | 0.269 | S | S | . | . | trans | -124.6 | 139.2 | 165.1 | -64.5 | 0 | 0 | 0 | 0 | 107.4 | R144 K163 | R144-S178 WeakPolarHBondContact CB-O 3.31Å; K163-S178 PolarHBondContact NZ-OG 3.47Å | ||
| 179 | F | 97.7 | Very high | 95.4 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 18% | 0.18 | 28% | 0.277 | C | S | . | . | trans | -95.9 | 139 | -178.8 | -61.4 | -81.2 | 0 | 0 | 0 | 109.9 | W139 R144 A146 A162 W172 V177 A210 | W139-F179 HydrophobicContact CH2-CE1 4.19Å; W139-F179 HydrophobicContact CZ2-CD1 4.48Å; W139-F179 AromaticContact CZ2-CE1 3.94Å; W139-F179 HydrophobicContact CZ2-CE1 3.94Å; R144-F179 HydrophobicContact CB-CD1 4.23Å; R144-F179 CarbonylContact O-C 3.56Å; R144-F179 WeakPolarHBondContact O-CA 3.18Å; R144-F179 WeakPolarHBondContact O-CB 3.44Å; A146-F179 HydrophobicContact CB-CB 4.18Å; A146-F179 HydrophobicContact CB-CD1 3.65Å; A146-F179 HydrophobicContact CB-CD2 4.13Å; A146-F179 HydrophobicContact CB-CE1 3.96Å; A146-F179 HydrophobicContact CB-CE2 4.42Å; A146-F179 HydrophobicContact CB-CG 3.72Å; A146-F179 HydrophobicContact CB-CZ 4.34Å; A162-F179 HydrophobicContact CB-CD2 3.51Å; A162-F179 HydrophobicContact CB-CE2 3.52Å; A162-F179 HydrophobicContact CB-CG 4.38Å; A162-F179 HydrophobicContact CB-CZ 4.38Å; W172-F179 AromaticContact CD1-CE2 3.85Å; W172-F179 AromaticContact CD2-CE2 3.8Å; W172-F179 HydrophobicContact CD2-CE2 3.8Å; W172-F179 AromaticContact CD2-CZ 3.69Å; W172-F179 HydrophobicContact CD2-CZ 3.69Å; W172-F179 AromaticContact CE2-CE2 3.83Å; W172-F179 AromaticContact CE2-CZ 3.59Å; W172-F179 HydrophobicContact CE3-CE2 4.43Å; W172-F179 AromaticContact CE3-CZ 3.98Å; W172-F179 HydrophobicContact CE3-CZ 3.98Å; W172-F179 AromaticContact CG-CE2 3.83Å; W172-F179 HydrophobicContact CG-CE2 3.83Å; W172-F179 HydrophobicContact CG-CZ 4.24Å; W172-F179 HydrophobicContact CH2-CZ 4.06Å; W172-F179 HydrophobicContact CZ2-CE2 4.47Å; W172-F179 AromaticContact CZ2-CZ 3.79Å; W172-F179 HydrophobicContact CZ2-CZ 3.79Å; W172-F179 HydrophobicContact CZ3-CZ 4.15Å; W172-F179 AromaticContact NE1-CE2 3.84Å; V177-F179 HydrophobicContact CG1-CD1 4.5Å; V177-F179 HydrophobicContact CG1-CD2 4.44Å; V177-F179 HydrophobicContact CG1-CE1 4.04Å; V177-F179 HydrophobicContact CG1-CE2 3.95Å; V177-F179 HydrophobicContact CG1-CZ 3.74Å; F179-A210 HydrophobicContact CE1-CB 3.99Å | ||
| 180 | T | 96.5 | Very high | 95.3 | Very high | 89 Ų | 89 | 47.4 Ų | 47.4 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -90 | -12.5 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | A141 R144 | A141-T180 WeakPolarHBondContact O-CG2 3.48Å; R144-T180 PolarHBondContact N-OG1 3.01Å; R144-T180 PolarHBondContact O-N 2.91Å; R144-T180 PolarHBondContact O-OG1 3.38Å |
| 181 | G | 96.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | -175.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T145 A146 | T145-G181 WeakPolarHBondContact CA-O 3.39Å; A146-G181 PolarHBondContact N-O 3.4Å |
| 182 | S | 97.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 49.2 Ų | 49.2 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146 | -177.7 | -72.4 | 0 | 0 | 0 | 0 | 111.4 | A146 D159 C160 | A146-S182 CarbonylContact O-C 3.55Å; A146-S182 VanDerWaalsContact O-CA 3.32Å; A146-S182 WeakPolarHBondContact O-CA 3.46Å; D159-S182 PolarHBondContact OD1-OG 3.31Å; D159-S182 WeakPolarHBondContact OD2-CB 3.33Å; D159-S182 PolarHBondContact OD2-OG 3.43Å; C160-S182 WeakPolarHBondContact CB-OG 3.43Å; C160-S182 PolarHBondContact N-OG 3.44Å |
| 183 | S | 97.7 | Very high | 95.3 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149 | 170.4 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | T145 A146 L147 C148 | T145-S183 WeakPolarHBondContact CG2-OG 3.5Å; A146-S183 PolarHBondContact O-N 3.1Å; L147-S183 WeakPolarHBondContact CA-O 3.48Å; C148-S183 PolarHBondContact N-O 3Å |
| 184 | F | 97.5 | Very high | 95.3 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.2 | -174.3 | -47.2 | -63.2 | 0 | 0 | 0 | 110 | C148 P151 N158 | C148-F184 VanDerWaalsContact O-CA 3.27Å; C148-F184 WeakPolarHBondContact O-CA 3.49Å; C148-F184 VanDerWaalsContact SG-CD1 3.55Å; C148-F184 VanDerWaalsContact SG-CE1 3.58Å; P151-F184 HydrophobicContact CB-CE1 4.21Å; P151-F184 HydrophobicContact CB-CZ 4.35Å; P151-F184 HydrophobicContact CG-CD1 4.2Å; P151-F184 HydrophobicContact CG-CE1 3.71Å; P151-F184 HydrophobicContact CG-CE2 4.07Å; P151-F184 HydrophobicContact CG-CZ 3.66Å; N158-F184 WeakPolarHBondContact O-CZ 3.47Å |
| 185 | Y | 96.5 | Very high | 95.5 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 13% | 0.129 | 31% | 0.31 | C | S | . | . | trans | -95.9 | -3.5 | -179.3 | 67.1 | -97.9 | 0 | 0 | 0 | 113.7 | C148 F149 L188 W197 F211 | C148-Y185 WeakPolarHBondContact O-CD1 3.5Å; C148-Y185 PolarHBondContact O-N 3.13Å; C148-Y185 VanDerWaalsContact O-N 3.17Å; F149-Y185 HydrophobicContact CB-CE1 3.96Å; F149-Y185 HydrophobicContact CB-CE2 4.14Å; F149-Y185 AromaticContact CD2-CD2 3.75Å; F149-Y185 HydrophobicContact CD2-CD2 3.75Å; F149-Y185 AromaticContact CD2-CE2 3.29Å; F149-Y185 HydrophobicContact CD2-CE2 3.29Å; F149-Y185 AromaticContact CD2-CZ 3.72Å; F149-Y185 HydrophobicContact CE2-CD2 4.43Å; F149-Y185 HydrophobicContact CE2-CE2 4.04Å; F149-Y185 HydrophobicContact CG-CE2 4.15Å; Y185-L188 HydrophobicContact CD2-CB 4.36Å; Y185-L188 VanDerWaalsContact CD2-O 3.3Å; Y185-L188 WeakPolarHBondContact CD2-O 3.37Å; Y185-L188 WeakPolarHBondContact CE2-O 3.37Å; Y185-L188 WeakPolarHBondContact O-CA 3.33Å; Y185-L188 WeakPolarHBondContact O-CB 3.25Å; Y185-L188 WeakPolarHBondContact O-CG 3.46Å; Y185-L188 PolarHBondContact O-N 3.45Å; Y185-W197 HydrophobicContact CD1-CH2 4.35Å; Y185-W197 AromaticContact CD2-CH2 3.67Å; Y185-W197 HydrophobicContact CD2-CH2 3.67Å; Y185-W197 HydrophobicContact CD2-CZ2 4.19Å; Y185-W197 HydrophobicContact CE2-CH2 4.31Å; Y185-W197 AromaticContact CG-CH2 3.71Å; Y185-W197 HydrophobicContact CG-CH2 3.71Å; Y185-W197 HydrophobicContact CG-CZ3 4.28Å; Y185-F211 HydrophobicContact CD1-CD1 4.39Å; Y185-F211 AromaticContact CD1-CE1 3.9Å; Y185-F211 HydrophobicContact CD1-CE1 3.9Å; Y185-F211 HydrophobicContact CE1-CD1 4.13Å; Y185-F211 AromaticContact CE1-CE1 3.95Å; Y185-F211 HydrophobicContact CE1-CE1 3.95Å | ||
| 186 | F | 94.6 | Very high | 95.6 | Very high | 100 Ų | 100 | 58.5 Ų | 58.5 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 132.4 | 172 | 178 | -95.7 | 0 | 0 | 0 | 111 | F149 R150 | F149-F186 HydrophobicContact CD2-CB 4.08Å; F149-F186 HydrophobicContact CD2-CD2 4.45Å; F149-F186 AromaticContact CE1-CD2 3.92Å; F149-F186 HydrophobicContact CE1-CD2 3.92Å; F149-F186 HydrophobicContact CE2-CB 4.07Å; F149-F186 AromaticContact CE2-CD2 3.7Å; F149-F186 HydrophobicContact CE2-CD2 3.7Å; F149-F186 HydrophobicContact CE2-CG 4.4Å; F149-F186 HydrophobicContact CZ-CB 4.49Å; F149-F186 AromaticContact CZ-CD2 3.42Å; F149-F186 HydrophobicContact CZ-CD2 3.42Å; F149-F186 VanDerWaalsContact CZ-CD2 3.42Å; F149-F186 HydrophobicContact CZ-CE2 4.13Å; F149-F186 HydrophobicContact CZ-CG 4.42Å; F149-F186 WeakPolarHBondContact O-CB 3.41Å; F149-F186 PolarHBondContact O-N 3.49Å; F149-F186 VanDerWaalsContact O-N 3.13Å; R150-F186 HydrophobicContact CG-CB 3.91Å; R150-F186 HydrophobicContact CG-CG 4.22Å |
| 187 | P | 94.7 | Very high | 95.7 | Very high | 98 Ų | 98 | 51.9 Ų | 51.9 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92 | 7.3 | 12.8 | 37.2 | -36.7 | 0 | 0 | 0 | 116.8 | S189 | P187-S189 PolarHBondContact O-N 3.44Š|
| 188 | L | 95.2 | Very high | 95.6 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | trans | -59.1 | 137.8 | -174.7 | -57.6 | -179.3 | 0 | 0 | 0 | 113.1 | Y185 D192 E196 W197 L200 | Y185-L188 HydrophobicContact CD2-CB 4.36Å; Y185-L188 VanDerWaalsContact CD2-O 3.3Å; Y185-L188 WeakPolarHBondContact CD2-O 3.37Å; Y185-L188 WeakPolarHBondContact CE2-O 3.37Å; Y185-L188 WeakPolarHBondContact O-CA 3.33Å; Y185-L188 WeakPolarHBondContact O-CB 3.25Å; Y185-L188 WeakPolarHBondContact O-CG 3.46Å; Y185-L188 PolarHBondContact O-N 3.45Å; L188-D192 WeakPolarHBondContact CA-OD2 3.46Å; L188-D192 HydrophobicContact CD2-CB 4.4Å; L188-E196 HydrophobicContact CD2-CB 3.84Å; L188-W197 HydrophobicContact CB-CH2 4.48Å; L188-W197 HydrophobicContact CB-CZ2 3.97Å; L188-W197 HydrophobicContact CD1-CD2 3.8Å; L188-W197 HydrophobicContact CD1-CE3 4.03Å; L188-W197 HydrophobicContact CD1-CG 4.11Å; L188-W197 HydrophobicContact CD1-CZ2 4.4Å; L188-W197 HydrophobicContact CD1-CZ3 4.41Å; L188-L200 HydrophobicContact CD1-CB 4.12Å; L188-L200 HydrophobicContact CD1-CD2 3.74Å; L188-L200 HydrophobicContact CG-CD2 4.19Å | ||
| 189 | S | 92.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 58 Ų | 58 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | trans | -95.6 | 157.9 | 163.1 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | P187 D191 D192 W197 | P187-S189 PolarHBondContact O-N 3.44Å; S189-D191 PolarHBondContact O-N 3.36Å; S189-D191 VanDerWaalsContact O-N 3.15Å; S189-D191 PolarHBondContact OG-N 3.06Å; S189-D191 PolarHBondContact OG-OD2 2.98Å; S189-D192 PolarHBondContact N-OD2 2.96Å; S189-D192 PolarHBondContact O-N 2.77Å; S189-D192 VanDerWaalsContact O-N 3.09Å; S189-W197 PolarHBondContact O-NE1 3.3Å | ||
| 190 | T | 91.5 | Very high | 95.5 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14.5 | 168.5 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | F73 P215 | F73-T190 HydrophobicContact CD2-CG2 4.18Å; F73-T190 HydrophobicContact CE2-CG2 4.37Å; T190-P215 HydrophobicContact CG2-CB 3.78Å; T190-P215 WeakPolarHBondContact CG2-O 3.36Å |
| 191 | D | 90.8 | Very high | 95.5 | Very high | 73 Ų | 73 | 55.4 Ų | 55.4 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -2.9 | 176 | -57.1 | -40.5 | 0 | 0 | 0 | 114 | K76 S189 R221 | K76-D191 PolarHBondContact NZ-O 3.25Å; S189-D191 PolarHBondContact O-N 3.36Å; S189-D191 VanDerWaalsContact O-N 3.15Å; S189-D191 PolarHBondContact OG-N 3.06Å; S189-D191 PolarHBondContact OG-OD2 2.98Å; D191-R221 IonicContact OD1-CZ 3.83Å; D191-R221 IonicContact OD1-NH1 3.12Å; D191-R221 PolarHBondContact OD1-NH1 3.4Å; D191-R221 IonicContact OD1-NH2 2.67Å; D191-R221 IonicContact OD2-CZ 3.68Å; D191-R221 IonicContact OD2-NH1 2.96Å; D191-R221 PolarHBondContact OD2-NH1 2.02Å; D191-R221 IonicContact OD2-NH2 2.6Å; D191-R221 PolarHBondContact OD2-NH2 3.21Å |
| 192 | D | 95.2 | Very high | 95.5 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -76.5 | 153.3 | 178.1 | -63.7 | -21 | 0 | 0 | 0 | 111 | K76 L188 S189 E196 | K76-D192 WeakPolarHBondContact CE-O 3.35Å; K76-D192 PolarHBondContact NZ-O 2.99Å; L188-D192 WeakPolarHBondContact CA-OD2 3.46Å; L188-D192 HydrophobicContact CD2-CB 4.4Å; S189-D192 PolarHBondContact N-OD2 2.96Å; S189-D192 PolarHBondContact O-N 2.77Å; S189-D192 VanDerWaalsContact O-N 3.09Å; D192-E196 HydrophobicContact CB-CB 4.49Å |
| 193 | P | 95.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | trans | -57.5 | 156.2 | 177.8 | -22.6 | 33.7 | 0 | 0 | 0 | 112.7 | E195 E196 W197 | P193-E195 WeakPolarHBondContact CB-OE2 3.45Å; P193-E195 PolarHBondContact O-N 3.14Å; P193-E196 WeakPolarHBondContact CD-OE1 3.37Å; P193-E196 PolarHBondContact O-N 2.9Å; P193-W197 PolarHBondContact O-N 3.22Å | ||
| 194 | K | 95.6 | Very high | 95 | Very high | 62 Ų | 62 | 62.4 Ų | 62.4 | 27% | 0.27 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.4 | -34.6 | 178.4 | 176 | 177.3 | 177.1 | -63.7 | 0 | 111.6 | I77 N78 E196 W197 D198 | I77-K194 HydrophobicContact CB-CG 4.42Å; I77-K194 VanDerWaalsContact O-CE 3.27Å; I77-K194 WeakPolarHBondContact O-CE 3.45Å; N78-K194 HydrophobicContact CB-CD 4.16Å; K194-E196 VanDerWaalsContact C-N 3.32Å; K194-E196 PolarHBondContact O-N 3.37Å; K194-W197 WeakPolarHBondContact O-CB 3.28Å; K194-W197 PolarHBondContact O-N 3Å; K194-D198 IonicContact NZ-OD2 2.55Å; K194-D198 PolarHBondContact NZ-OD2 2.78Å; K194-D198 WeakPolarHBondContact O-CB 3.33Å; K194-D198 PolarHBondContact O-N 3.49Å |
| 195 | E | 96.4 | Very high | 94.8 | Very high | 132 Ų | 132 | 64.5 Ų | 64.5 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.9 | -39.6 | -177.6 | -64.1 | 67.2 | -146.5 | 0 | 0 | 111.5 | P193 D198 Q199 | P193-E195 WeakPolarHBondContact CB-OE2 3.45Å; P193-E195 PolarHBondContact O-N 3.14Å; E195-D198 PolarHBondContact O-N 2.77Å; E195-Q199 WeakPolarHBondContact O-CB 3Å; E195-Q199 PolarHBondContact O-N 3Å |
| 196 | E | 96.9 | Very high | 94.7 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | 176.5 | -63.4 | -174.1 | -150.9 | 0 | 0 | 111.3 | L188 D192 P193 K194 Q199 L200 | L188-E196 HydrophobicContact CD2-CB 3.84Å; D192-E196 HydrophobicContact CB-CB 4.49Å; P193-E196 WeakPolarHBondContact CD-OE1 3.37Å; P193-E196 PolarHBondContact O-N 2.9Å; K194-E196 VanDerWaalsContact C-N 3.32Å; K194-E196 PolarHBondContact O-N 3.37Å; E196-Q199 PolarHBondContact O-N 3Å; E196-L200 PolarHBondContact O-N 3.19Å |
| 197 | W | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 173.8 | -84.5 | 93.8 | 0 | 0 | 0 | 112.5 | F73 I77 Y185 L188 S189 P193 K194 L200 F201 F211 | F73-W197 HydrophobicContact CE2-CD2 4.1Å; F73-W197 AromaticContact CE2-CE2 3.6Å; F73-W197 HydrophobicContact CE2-CH2 4.32Å; F73-W197 AromaticContact CE2-CZ2 3.73Å; F73-W197 HydrophobicContact CE2-CZ2 3.73Å; F73-W197 AromaticContact CE2-NE1 3.85Å; F73-W197 HydrophobicContact CZ-CD2 4Å; F73-W197 AromaticContact CZ-CE2 3.8Å; F73-W197 HydrophobicContact CZ-CE3 4.09Å; F73-W197 AromaticContact CZ-CH2 3.83Å; F73-W197 HydrophobicContact CZ-CH2 3.83Å; F73-W197 AromaticContact CZ-CZ2 3.72Å; F73-W197 HydrophobicContact CZ-CZ2 3.72Å; F73-W197 HydrophobicContact CZ-CZ3 4.02Å; I77-W197 HydrophobicContact CG2-CB 4.03Å; I77-W197 HydrophobicContact CG2-CG 3.88Å; Y185-W197 HydrophobicContact CD1-CH2 4.35Å; Y185-W197 AromaticContact CD2-CH2 3.67Å; Y185-W197 HydrophobicContact CD2-CH2 3.67Å; Y185-W197 HydrophobicContact CD2-CZ2 4.19Å; Y185-W197 HydrophobicContact CE2-CH2 4.31Å; Y185-W197 AromaticContact CG-CH2 3.71Å; Y185-W197 HydrophobicContact CG-CH2 3.71Å; Y185-W197 HydrophobicContact CG-CZ3 4.28Å; L188-W197 HydrophobicContact CB-CH2 4.48Å; L188-W197 HydrophobicContact CB-CZ2 3.97Å; L188-W197 HydrophobicContact CD1-CD2 3.8Å; L188-W197 HydrophobicContact CD1-CE3 4.03Å; L188-W197 HydrophobicContact CD1-CG 4.11Å; L188-W197 HydrophobicContact CD1-CZ2 4.4Å; L188-W197 HydrophobicContact CD1-CZ3 4.41Å; S189-W197 PolarHBondContact O-NE1 3.3Å; P193-W197 PolarHBondContact O-N 3.22Å; K194-W197 WeakPolarHBondContact O-CB 3.28Å; K194-W197 PolarHBondContact O-N 3Å; W197-L200 PolarHBondContact O-N 3.24Å; W197-F201 AromaticContact CE3-CD2 3.71Å; W197-F201 HydrophobicContact CE3-CD2 3.71Å; W197-F201 HydrophobicContact CE3-CE2 4.03Å; W197-F201 AromaticContact CZ3-CD2 3.88Å; W197-F201 HydrophobicContact CZ3-CD2 3.88Å; W197-F201 AromaticContact CZ3-CE2 3.77Å; W197-F201 HydrophobicContact CZ3-CE2 3.77Å; W197-F201 WeakPolarHBondContact O-CA 3.4Å; W197-F201 WeakPolarHBondContact O-CB 3.34Å; W197-F201 PolarHBondContact O-N 3.14Å; W197-F211 HydrophobicContact CH2-CE1 4.22Å; W197-F211 HydrophobicContact CH2-CZ 4.17Å; W197-F211 HydrophobicContact CZ3-CE1 4.3Å; W197-F211 AromaticContact CZ3-CZ 3.96Å; W197-F211 HydrophobicContact CZ3-CZ 3.96Å |
| 198 | D | 95.5 | Very high | 94.9 | Very high | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.16 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -76.6 | -26.7 | 178.6 | -76.8 | -17.9 | 0 | 0 | 0 | 112.9 | R79 K194 E195 L200 F201 P202 | R79-D198 IonicContact CZ-OD1 3.99Å; R79-D198 IonicContact NH2-OD1 3.01Å; R79-D198 PolarHBondContact NH2-OD1 2.02Å; K194-D198 IonicContact NZ-OD2 2.55Å; K194-D198 PolarHBondContact NZ-OD2 2.78Å; K194-D198 WeakPolarHBondContact O-CB 3.33Å; K194-D198 PolarHBondContact O-N 3.49Å; E195-D198 PolarHBondContact O-N 2.77Å; D198-L200 VanDerWaalsContact C-N 3.32Å; D198-F201 CarbonylContact O-C 3.58Å; D198-P202 WeakPolarHBondContact O-CA 3.48Å; D198-P202 WeakPolarHBondContact O-CB 3.34Å; D198-P202 VanDerWaalsContact O-CD 3.28Å; D198-P202 WeakPolarHBondContact O-CD 3.29Å |
| 199 | Q | 95.8 | Very high | 95.1 | Very high | 168 Ų | 168 | 57.4 Ų | 57.4 | 79% | 0.785 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 170.7 | -175.9 | 179.2 | 3.8 | 0 | 0 | 110.9 | E195 E196 | E195-Q199 WeakPolarHBondContact O-CB 3Å; E195-Q199 PolarHBondContact O-N 3Å; E196-Q199 PolarHBondContact O-N 3Å |
| 200 | L | 95.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -82.8 | -34.5 | 179.9 | -170 | 57.1 | 0 | 0 | 0 | 112.7 | L188 E196 W197 D198 | L188-L200 HydrophobicContact CD1-CB 4.12Å; L188-L200 HydrophobicContact CD1-CD2 3.74Å; L188-L200 HydrophobicContact CG-CD2 4.19Å; E196-L200 PolarHBondContact O-N 3.19Å; W197-L200 PolarHBondContact O-N 3.24Å; D198-L200 VanDerWaalsContact C-N 3.32Å |
| 201 | F | 96.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -131.9 | 64.1 | -175.6 | -55 | -71 | 0 | 0 | 0 | 112.6 | R79 L147 W197 D198 Y206 L209 | R79-F201 PolarHBondContact NH2-O 3.39Å; L147-F201 HydrophobicContact CD2-CD1 4.17Å; L147-F201 HydrophobicContact CD2-CE1 3.98Å; L147-F201 HydrophobicContact CD2-CE2 4.37Å; L147-F201 HydrophobicContact CD2-CG 4.46Å; L147-F201 HydrophobicContact CD2-CZ 4.08Å; L147-F201 HydrophobicContact CG-CE1 4.31Å; W197-F201 AromaticContact CE3-CD2 3.71Å; W197-F201 HydrophobicContact CE3-CD2 3.71Å; W197-F201 HydrophobicContact CE3-CE2 4.03Å; W197-F201 AromaticContact CZ3-CD2 3.88Å; W197-F201 HydrophobicContact CZ3-CD2 3.88Å; W197-F201 AromaticContact CZ3-CE2 3.77Å; W197-F201 HydrophobicContact CZ3-CE2 3.77Å; W197-F201 WeakPolarHBondContact O-CA 3.4Å; W197-F201 WeakPolarHBondContact O-CB 3.34Å; W197-F201 PolarHBondContact O-N 3.14Å; D198-F201 CarbonylContact O-C 3.58Å; F201-Y206 HydrophobicContact CB-CD2 4.16Å; F201-Y206 HydrophobicContact CB-CG 4.13Å; F201-Y206 AromaticContact CD1-CD1 3.94Å; F201-Y206 HydrophobicContact CD1-CD1 3.94Å; F201-Y206 HydrophobicContact CD1-CD2 4.15Å; F201-Y206 AromaticContact CD1-CE1 3.95Å; F201-Y206 HydrophobicContact CD1-CE1 3.95Å; F201-Y206 HydrophobicContact CD1-CE2 4.15Å; F201-Y206 HydrophobicContact CD1-CG 4.04Å; F201-Y206 HydrophobicContact CE1-CE1 4.4Å; F201-L209 HydrophobicContact CB-CD2 3.63Å; F201-L209 HydrophobicContact CD1-CD2 4.45Å; F201-L209 HydrophobicContact CG-CD2 4.07Å |
| 202 | P | 95.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | trans | -58.6 | 134.1 | -176.3 | 21.6 | -32.4 | 0 | 0 | 0 | 111.1 | D198 E204 T205 Y206 | D198-P202 WeakPolarHBondContact O-CA 3.48Å; D198-P202 WeakPolarHBondContact O-CB 3.34Å; D198-P202 VanDerWaalsContact O-CD 3.28Å; D198-P202 WeakPolarHBondContact O-CD 3.29Å; P202-E204 WeakPolarHBondContact CB-OE2 3.44Å; P202-E204 PolarHBondContact O-N 3.42Å; P202-T205 PolarHBondContact O-N 2.81Å; P202-Y206 PolarHBondContact O-N 3.35Å | ||
| 203 | P | 94.1 | Very high | 95.9 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -32.6 | -178.6 | -30.2 | 35.4 | 0 | 0 | 0 | 115.3 | A49 Y206 P207 | A49-P203 HydrophobicContact CB-CB 4.06Å; P203-Y206 CarbonylContact O-C 3.38Å; P203-P207 WeakPolarHBondContact O-CA 3.2Å; P203-P207 VanDerWaalsContact O-N 3.07Å |
| 204 | E | 91.5 | Very high | 95.9 | Very high | 150 Ų | 150 | 48.6 Ų | 48.6 | 70% | 0.701 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -34.8 | -177.8 | -58 | 74.4 | -162.9 | 0 | 0 | 111.8 | P202 | P202-E204 WeakPolarHBondContact CB-OE2 3.44Å; P202-E204 PolarHBondContact O-N 3.42Å |
| 205 | T | 92.9 | Very high | 95.9 | Very high | 100 Ų | 100 | 46 Ų | 46 | 61% | 0.613 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -34.6 | 179.3 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | P202 P207 | P202-T205 PolarHBondContact O-N 2.81Å; T205-P207 VanDerWaalsContact O-CD 3.28Å; T205-P207 WeakPolarHBondContact O-CD 3.45Å |
| 206 | Y | 95.9 | Very high | 95.7 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | trans | -119.9 | 70.8 | 179.6 | -63.3 | -91.8 | 0 | 0 | 0 | 110 | R79 F201 P202 P203 V208 | R79-Y206 PolarHBondContact NH1-O 3.28Å; F201-Y206 HydrophobicContact CB-CD2 4.16Å; F201-Y206 HydrophobicContact CB-CG 4.13Å; F201-Y206 AromaticContact CD1-CD1 3.94Å; F201-Y206 HydrophobicContact CD1-CD1 3.94Å; F201-Y206 HydrophobicContact CD1-CD2 4.15Å; F201-Y206 AromaticContact CD1-CE1 3.95Å; F201-Y206 HydrophobicContact CD1-CE1 3.95Å; F201-Y206 HydrophobicContact CD1-CE2 4.15Å; F201-Y206 HydrophobicContact CD1-CG 4.04Å; F201-Y206 HydrophobicContact CE1-CE1 4.4Å; P202-Y206 PolarHBondContact O-N 3.35Å; P203-Y206 CarbonylContact O-C 3.38Å; Y206-V208 PolarHBondContact O-N 3.33Å; Y206-V208 VanDerWaalsContact O-N 3.14Å | ||
| 207 | P | 95.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 38.8 Ų | 38.8 | 21% | 0.208 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -65.1 | -17.6 | 177 | 26.9 | -35.4 | 0 | 0 | 0 | 112.1 | A49 Y50 I138 P203 T205 | A49-P207 CarbonylContact C-O 3.53Å; A49-P207 WeakPolarHBondContact CA-O 3.5Å; Y50-P207 PolarHBondContact N-O 2.84Å; I138-P207 HydrophobicContact CB-CB 4.49Å; I138-P207 WeakPolarHBondContact O-CG 3.44Å; P203-P207 WeakPolarHBondContact O-CA 3.2Å; P203-P207 VanDerWaalsContact O-N 3.07Å; T205-P207 VanDerWaalsContact O-CD 3.28Å; T205-P207 WeakPolarHBondContact O-CD 3.45Å |
| 208 | V | 97.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 119.4 | 177.8 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | Y50 T52 F130 I138 W139 Y206 A210 | Y50-V208 WeakPolarHBondContact O-CA 3.45Å; T52-V208 HydrophobicContact CG2-CG1 3.86Å; F130-V208 HydrophobicContact CE2-CG2 4.35Å; F130-V208 HydrophobicContact CZ-CG1 4.11Å; F130-V208 HydrophobicContact CZ-CG2 3.69Å; I138-V208 HydrophobicContact CD1-CG2 4.22Å; W139-V208 HydrophobicContact CB-CB 4.42Å; W139-V208 HydrophobicContact CB-CG2 3.63Å; W139-V208 HydrophobicContact CD2-CB 4.26Å; W139-V208 HydrophobicContact CD2-CG1 4.17Å; W139-V208 HydrophobicContact CD2-CG2 4.29Å; W139-V208 HydrophobicContact CG-CB 3.92Å; W139-V208 HydrophobicContact CG-CG1 4.35Å; W139-V208 HydrophobicContact CG-CG2 3.66Å; Y206-V208 PolarHBondContact O-N 3.33Å; Y206-V208 VanDerWaalsContact O-N 3.14Å; V208-A210 HydrophobicContact CG1-CB 4.43Å |
| 209 | L | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 100.9 | 168.8 | -54 | -172.8 | 0 | 0 | 0 | 108.5 | Y50 I51 T52 I77 L147 F201 F211 | Y50-L209 PolarHBondContact O-N 3.06Å; I51-L209 WeakPolarHBondContact CA-O 3.28Å; I51-L209 HydrophobicContact CG1-CB 4.43Å; T52-L209 PolarHBondContact N-O 3.02Å; T52-L209 VanDerWaalsContact O-O 3.06Å; I77-L209 HydrophobicContact CD1-CD1 3.72Å; L147-L209 HydrophobicContact CD2-CB 4.01Å; L147-L209 HydrophobicContact CD2-CD2 3.92Å; L147-L209 HydrophobicContact CD2-CG 4.43Å; F201-L209 HydrophobicContact CB-CD2 3.63Å; F201-L209 HydrophobicContact CD1-CD2 4.45Å; F201-L209 HydrophobicContact CG-CD2 4.07Å; L209-F211 HydrophobicContact CB-CD2 4.32Å; L209-F211 HydrophobicContact CB-CE2 3.6Å; L209-F211 HydrophobicContact CB-CZ 4.2Å; L209-F211 HydrophobicContact CD1-CE2 4.46Å |
| 210 | A | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 94.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T52 W139 L147 F179 V208 | T52-A210 HydrophobicContact CG2-CB 3.6Å; T52-A210 CarbonylContact O-C 3.6Å; T52-A210 WeakPolarHBondContact O-CA 3.37Å; W139-A210 HydrophobicContact CH2-CB 4.07Å; W139-A210 HydrophobicContact CZ2-CB 3.58Å; L147-A210 PolarHBondContact N-O 3.21Å; F179-A210 HydrophobicContact CE1-CB 3.99Å; V208-A210 HydrophobicContact CG1-CB 4.43Å |
| 211 | F | 98.3 | Very high | 95 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 138.1 | -176 | -62.5 | -93.8 | 0 | 0 | 0 | 112.8 | I51 T52 Y53 C54 F73 L147 Y185 W197 L209 G213 P215 | I51-F211 HydrophobicContact CG2-CD2 3.98Å; I51-F211 HydrophobicContact CG2-CE2 3.91Å; T52-F211 PolarHBondContact O-N 3.25Å; Y53-F211 VanDerWaalsContact CA-O 3.26Å; Y53-F211 WeakPolarHBondContact CA-O 3.38Å; C54-F211 PolarHBondContact N-O 2.99Å; F73-F211 AromaticContact CE1-CE2 3.93Å; F73-F211 HydrophobicContact CE1-CE2 3.93Å; F73-F211 AromaticContact CE1-CZ 3.87Å; F73-F211 HydrophobicContact CE1-CZ 3.87Å; F73-F211 HydrophobicContact CZ-CZ 4.17Å; L147-F211 HydrophobicContact CB-CD1 3.84Å; L147-F211 HydrophobicContact CB-CE1 4.05Å; L147-F211 HydrophobicContact CB-CG 4.27Å; L147-F211 HydrophobicContact CD2-CE1 4.11Å; L147-F211 HydrophobicContact CD2-CZ 4.04Å; L147-F211 WeakPolarHBondContact O-CA 3.46Å; Y185-F211 HydrophobicContact CD1-CD1 4.39Å; Y185-F211 AromaticContact CD1-CE1 3.9Å; Y185-F211 HydrophobicContact CD1-CE1 3.9Å; Y185-F211 HydrophobicContact CE1-CD1 4.13Å; Y185-F211 AromaticContact CE1-CE1 3.95Å; Y185-F211 HydrophobicContact CE1-CE1 3.95Å; W197-F211 HydrophobicContact CH2-CE1 4.22Å; W197-F211 HydrophobicContact CH2-CZ 4.17Å; W197-F211 HydrophobicContact CZ3-CE1 4.3Å; W197-F211 AromaticContact CZ3-CZ 3.96Å; W197-F211 HydrophobicContact CZ3-CZ 3.96Å; L209-F211 HydrophobicContact CB-CD2 4.32Å; L209-F211 HydrophobicContact CB-CE2 3.6Å; L209-F211 HydrophobicContact CB-CZ 4.2Å; L209-F211 HydrophobicContact CD1-CE2 4.46Å; F211-G213 WeakPolarHBondContact CB-O 3.47Å; F211-G213 PolarHBondContact O-N 3.32Å; F211-P215 HydrophobicContact CD1-CB 4.12Å; F211-P215 HydrophobicContact CD1-CG 3.74Å; F211-P215 HydrophobicContact CD2-CG 4Å; F211-P215 HydrophobicContact CE1-CB 4.04Å; F211-P215 HydrophobicContact CE1-CG 3.72Å; F211-P215 HydrophobicContact CE2-CG 3.99Å; F211-P215 HydrophobicContact CG-CG 3.89Å; F211-P215 HydrophobicContact CZ-CG 3.85Å |
| 212 | I | 96.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -67.2 | -15.9 | 177 | 62.7 | 170.2 | 0 | 0 | 0 | 114.1 | A146 L147 C148 R152 C160 A162 F168 | A146-I212 HydrophobicContact CB-CG2 4.13Å; L147-I212 PolarHBondContact O-N 3.4Å; L147-I212 VanDerWaalsContact O-N 3.1Å; C148-I212 HydrophobicContact CB-CD1 3.38Å; C148-I212 HydrophobicContact CB-CG1 3.85Å; R152-I212 HydrophobicContact CG-CD1 4.19Å; C160-I212 HydrophobicContact CB-CD1 4.37Å; C160-I212 HydrophobicContact CB-CG2 3.9Å; A162-I212 HydrophobicContact CB-CG2 3.42Å; A162-I212 VanDerWaalsContact CB-CG2 3.42Å; F168-I212 WeakPolarHBondContact CD1-O 3.45Å; F168-I212 VanDerWaalsContact CE1-O 3.3Å; F168-I212 WeakPolarHBondContact CE1-O 3.49Å |
| 213 | G | 95.7 | Very high | 94.6 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 22% | 0.216 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -161.4 | 161.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | C54 F211 P215 | C54-G213 WeakPolarHBondContact O-CA 3.4Å; F211-G213 WeakPolarHBondContact CB-O 3.47Å; F211-G213 PolarHBondContact O-N 3.32Å; G213-P215 VanDerWaalsContact O-CD 3.26Å; G213-P215 WeakPolarHBondContact O-CD 3.08Å |
| 214 | P | 95.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | trans | -66.1 | 124.1 | -177.2 | 27.5 | -32.4 | 0 | 0 | 0 | 110.2 | Y53 C54 Q66 M70 S216 | Y53-P214 HydrophobicContact CD2-CB 3.61Å; Y53-P214 HydrophobicContact CD2-CG 4.16Å; Y53-P214 HydrophobicContact CE2-CB 3.83Å; Y53-P214 HydrophobicContact CE2-CG 4.28Å; Y53-P214 HydrophobicContact CG-CB 4.33Å; C54-P214 WeakPolarHBondContact O-CD 3.4Å; Q66-P214 HydrophobicContact CB-CB 4.07Å; Q66-P214 HydrophobicContact CB-CG 3.6Å; Q66-P214 HydrophobicContact CG-CG 3.86Å; Q66-P214 VanDerWaalsContact NE2-CG 3.35Å; M70-P214 HydrophobicContact CG-CB 3.67Å; M70-P214 HydrophobicContact SD-CB 3.66Å; P214-S216 PolarHBondContact O-N 3.07Å | ||
| 215 | P | 94.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -71.4 | 75.4 | 166.3 | 33.3 | -39.8 | 0 | 0 | 0 | 108.3 | M70 F73 T190 F211 G213 | M70-P215 HydrophobicContact CE-CG 4.15Å; M70-P215 WeakPolarHBondContact SD-CD 2.96Å; M70-P215 HydrophobicContact SD-CG 3.85Å; F73-P215 HydrophobicContact CD1-CG 3.95Å; F73-P215 HydrophobicContact CE1-CG 3.82Å; T190-P215 HydrophobicContact CG2-CB 3.78Å; T190-P215 WeakPolarHBondContact CG2-O 3.36Å; F211-P215 HydrophobicContact CD1-CB 4.12Å; F211-P215 HydrophobicContact CD1-CG 3.74Å; F211-P215 HydrophobicContact CD2-CG 4Å; F211-P215 HydrophobicContact CE1-CB 4.04Å; F211-P215 HydrophobicContact CE1-CG 3.72Å; F211-P215 HydrophobicContact CE2-CG 3.99Å; F211-P215 HydrophobicContact CG-CG 3.89Å; F211-P215 HydrophobicContact CZ-CG 3.85Å; G213-P215 VanDerWaalsContact O-CD 3.26Å; G213-P215 WeakPolarHBondContact O-CD 3.08Å |
| 216 | S | 93 | Very high | 94.7 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -149 | 146.8 | -179.1 | 66.5 | 0 | 0 | 0 | 0 | 109.9 | Q66 P214 | Q66-S216 WeakPolarHBondContact CA-OG 3.36Å; Q66-S216 WeakPolarHBondContact CB-OG 3.36Å; Q66-S216 PolarHBondContact O-OG 2.97Å; P214-S216 PolarHBondContact O-N 3.07Å |
| 217 | S | 92.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 31% | 0.308 | 17% | 0.173 | S | C | . | . | trans | -61.4 | 149.5 | 173.1 | -54.7 | 0 | 0 | 0 | 0 | 112 | P219 R221 | S217-P219 CarbonylContact C-O 3.56Å; S217-P219 VanDerWaalsContact C-O 3.26Å; S217-R221 PolarHBondContact OG-NE 3.48Å | ||
| 218 | F | 93.7 | Very high | 94.6 | Very high | 60 Ų | 60 | 30.7 Ų | 30.7 | 26% | 0.263 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -132.3 | 123.7 | 168.6 | 171.8 | -99.5 | 0 | 0 | 0 | 109 | M57 N62 E65 Q66 F279 T377 | M57-F218 HydrophobicContact CE-CB 3.57Å; M57-F218 HydrophobicContact CE-CD1 3.58Å; M57-F218 HydrophobicContact CE-CD2 3.76Å; M57-F218 HydrophobicContact CE-CE1 4.24Å; M57-F218 HydrophobicContact CE-CE2 4.41Å; M57-F218 HydrophobicContact CE-CG 3.31Å; N62-F218 HydrophobicContact CB-CE2 4.09Å; N62-F218 WeakPolarHBondContact ND2-CE2 3.08Å; N62-F218 WeakPolarHBondContact ND2-CZ 3.21Å; E65-F218 HydrophobicContact CB-CD2 4.06Å; E65-F218 HydrophobicContact CB-CE2 4.33Å; E65-F218 HydrophobicContact CG-CD2 4.48Å; E65-F218 HydrophobicContact CG-CE2 4.3Å; Q66-F218 HydrophobicContact CG-CB 4.43Å; F218-F279 AromaticContact CE1-CD1 3.7Å; F218-F279 HydrophobicContact CE1-CD1 3.7Å; F218-F279 HydrophobicContact CE1-CE1 4.29Å; F218-F279 HydrophobicContact CZ-CB 4.4Å; F218-F279 HydrophobicContact CZ-CD1 4.01Å; F218-F279 HydrophobicContact CZ-CG 4.45Å; F218-T377 HydrophobicContact CE2-CG2 3.42Å; F218-T377 VanDerWaalsContact CE2-CG2 3.42Å; F218-T377 HydrophobicContact CZ-CG2 3.53Å |
| 219 | P | 93.4 | Very high | 94.4 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 21% | 0.208 | 19% | 0.191 | C | C | . | . | S | Bend | cis | -62.3 | 173.1 | -4.8 | 33 | -40.9 | 0 | 0 | 0 | 113 | S217 F279 | S217-P219 CarbonylContact C-O 3.56Å; S217-P219 VanDerWaalsContact C-O 3.26Å; P219-F279 VanDerWaalsContact CG-O 3.3Å; P219-F279 WeakPolarHBondContact CG-O 3.42Å |
| 220 | V | 94.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 138.8 | 176.4 | 77.6 | 0 | 0 | 0 | 0 | 110.3 | E65 L68 N224 R225 | E65-V220 HydrophobicContact CB-CB 4.47Å; E65-V220 WeakPolarHBondContact O-CB 3.33Å; E65-V220 WeakPolarHBondContact OE2-CB 3.15Å; E65-V220 WeakPolarHBondContact OE2-CG1 2.98Å; E65-V220 PolarHBondContact OE2-N 3.39Å; L68-V220 HydrophobicContact CB-CB 4.49Å; L68-V220 HydrophobicContact CB-CG2 3.62Å; L68-V220 HydrophobicContact CD1-CG1 4.38Å; L68-V220 HydrophobicContact CD1-CG2 4.37Å; V220-N224 HydrophobicContact CG2-CB 3.67Å; V220-R225 HydrophobicContact CG1-CG 3.58Å |
| 221 | R | 92.7 | Very high | 94.1 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 26% | 0.26 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 149.6 | 173.9 | -59.8 | -168 | -178.9 | -179.4 | 1.3 | 112.2 | D191 S217 E223 N224 R225 | D191-R221 IonicContact OD1-CZ 3.83Å; D191-R221 IonicContact OD1-NH1 3.12Å; D191-R221 PolarHBondContact OD1-NH1 3.4Å; D191-R221 IonicContact OD1-NH2 2.67Å; D191-R221 IonicContact OD2-CZ 3.68Å; D191-R221 IonicContact OD2-NH1 2.96Å; D191-R221 PolarHBondContact OD2-NH1 2.02Å; D191-R221 IonicContact OD2-NH2 2.6Å; D191-R221 PolarHBondContact OD2-NH2 3.21Å; S217-R221 PolarHBondContact OG-NE 3.48Å; R221-E223 VanDerWaalsContact C-N 3.31Å; R221-E223 VanDerWaalsContact CB-CD 3.5Å; R221-E223 HydrophobicContact CB-CG 4.37Å; R221-E223 WeakPolarHBondContact CB-OE1 3.19Å; R221-E223 WeakPolarHBondContact CB-OE2 3.19Å; R221-E223 WeakPolarHBondContact CD-OE1 3.25Å; R221-E223 IonicContact NH1-OE1 2.74Å; R221-E223 PolarHBondContact O-N 2.81Å; R221-N224 PolarHBondContact O-N 2.95Å; R221-R225 PolarHBondContact O-N 3.28Å |
| 222 | P | 91.9 | Very high | 93.9 | Very high | 51 Ų | 51 | 46 Ų | 46 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -50.3 | -47.4 | -177.9 | -28.3 | 35.9 | 0 | 0 | 0 | 113.9 | N224 R225 D287 | P222-N224 PolarHBondContact O-N 2.8Å; P222-R225 WeakPolarHBondContact O-CB 3.42Å; P222-R225 WeakPolarHBondContact O-CG 3.27Å; P222-R225 PolarHBondContact O-N 2.88Å; P222-D287 HydrophobicContact CG-CB 3.84Å; P222-D287 VanDerWaalsContact CG-CG 3.44Å; P222-D287 WeakPolarHBondContact CG-OD2 2.97Å |
| 223 | E | 91.5 | Very high | 93.9 | Very high | 108 Ų | 108 | 46 Ų | 46 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -62.1 | -26.5 | -177.8 | 61 | -86.3 | -162.1 | 0 | 0 | 113.4 | R221 | R221-E223 VanDerWaalsContact C-N 3.31Å; R221-E223 VanDerWaalsContact CB-CD 3.5Å; R221-E223 HydrophobicContact CB-CG 4.37Å; R221-E223 WeakPolarHBondContact CB-OE1 3.19Å; R221-E223 WeakPolarHBondContact CB-OE2 3.19Å; R221-E223 WeakPolarHBondContact CD-OE1 3.25Å; R221-E223 IonicContact NH1-OE1 2.74Å; R221-E223 PolarHBondContact O-N 2.81Å |
| 224 | N | 94 | Very high | 93.9 | Very high | 28 Ų | 28 | 46 Ų | 46 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -93.2 | -6.9 | -177.2 | -64.4 | -23.4 | 0 | 0 | 0 | 112.8 | A72 V220 R221 P222 V226 F227 | A72-N224 HydrophobicContact CB-CB 4.39Å; A72-N224 VanDerWaalsContact CB-CG 3.43Å; A72-N224 WeakPolarHBondContact CB-OD1 2.97Å; V220-N224 HydrophobicContact CG2-CB 3.67Å; R221-N224 PolarHBondContact O-N 2.95Å; P222-N224 PolarHBondContact O-N 2.8Å; N224-V226 PolarHBondContact O-N 2.76Å; N224-F227 HydrophobicContact CB-CD2 4.21Å; N224-F227 HydrophobicContact CB-CE2 4.39Å; N224-F227 VanDerWaalsContact O-CD2 3.3Å; N224-F227 WeakPolarHBondContact O-CD2 3.19Å; N224-F227 PolarHBondContact O-N 3.36Å |
| 225 | R | 94 | Very high | 94 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -62.1 | -29.7 | 178.3 | -67.4 | 177 | -179.4 | 156.8 | 6 | 112.6 | V220 R221 P222 F227 H228 D287 | V220-R225 HydrophobicContact CG1-CG 3.58Å; R221-R225 PolarHBondContact O-N 3.28Å; P222-R225 WeakPolarHBondContact O-CB 3.42Å; P222-R225 WeakPolarHBondContact O-CG 3.27Å; P222-R225 PolarHBondContact O-N 2.88Å; R225-F227 PolarHBondContact O-N 3.31Å; R225-F227 VanDerWaalsContact O-N 3.15Å; R225-H228 WeakPolarHBondContact O-CB 3.33Å; R225-H228 PolarHBondContact O-N 3.42Å; R225-D287 IonicContact CZ-OD1 3.48Å; R225-D287 IonicContact CZ-OD2 2.71Å; R225-D287 IonicContact NH1-OD2 3.64Å; R225-D287 PolarHBondContact NH1-OD2 3.24Å; R225-D287 IonicContact NH2-OD1 2.77Å; R225-D287 PolarHBondContact NH2-OD1 3.41Å; R225-D287 IonicContact NH2-OD2 2.67Å; R225-D287 PolarHBondContact NH2-OD2 2.67Å |
| 226 | V | 92 | Very high | 94 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -55.7 | -31.4 | -179.7 | 68.8 | 0 | 0 | 0 | 0 | 112 | N224 H228 R229 | N224-V226 PolarHBondContact O-N 2.76Å; V226-H228 PolarHBondContact O-N 3.32Å; V226-H228 VanDerWaalsContact O-N 3.16Å; V226-R229 WeakPolarHBondContact O-CG 3.44Å; V226-R229 PolarHBondContact O-N 3.43Å |
| 227 | F | 94.5 | Very high | 94.2 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 13% | 0.127 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -65.2 | -19.8 | -179.1 | -63.8 | -56.9 | 0 | 0 | 0 | 113.7 | L68 I71 A72 I75 V121 N224 R225 R229 Y230 | L68-F227 HydrophobicContact CD2-CB 3.92Å; I71-F227 HydrophobicContact CB-CD2 4.2Å; I71-F227 HydrophobicContact CB-CG 4.17Å; I71-F227 HydrophobicContact CD1-CB 3.88Å; I71-F227 HydrophobicContact CD1-CG 4.4Å; I71-F227 HydrophobicContact CG2-CB 4.33Å; I71-F227 HydrophobicContact CG2-CD1 3.6Å; I71-F227 HydrophobicContact CG2-CD2 3.99Å; I71-F227 HydrophobicContact CG2-CE1 3.81Å; I71-F227 HydrophobicContact CG2-CE2 4.2Å; I71-F227 HydrophobicContact CG2-CG 3.7Å; I71-F227 HydrophobicContact CG2-CZ 4.11Å; A72-F227 HydrophobicContact CB-CD2 4.43Å; A72-F227 HydrophobicContact CB-CE2 3.68Å; A72-F227 HydrophobicContact CB-CZ 4.47Å; I75-F227 HydrophobicContact CD1-CE1 3.65Å; I75-F227 HydrophobicContact CD1-CZ 3.68Å; V121-F227 HydrophobicContact CG1-CD1 3.84Å; V121-F227 HydrophobicContact CG1-CE1 3.76Å; N224-F227 HydrophobicContact CB-CD2 4.21Å; N224-F227 HydrophobicContact CB-CE2 4.39Å; N224-F227 VanDerWaalsContact O-CD2 3.3Å; N224-F227 WeakPolarHBondContact O-CD2 3.19Å; N224-F227 PolarHBondContact O-N 3.36Å; R225-F227 PolarHBondContact O-N 3.31Å; R225-F227 VanDerWaalsContact O-N 3.15Å; F227-R229 PolarHBondContact O-N 3.43Å; F227-Y230 PolarHBondContact O-N 3.05Å; F227-Y230 VanDerWaalsContact O-N 3.16Å |
| 228 | H | 95.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -58.5 | -32.6 | 176.7 | -157.5 | 130.9 | 0 | 0 | 0 | 111.4 | L68 R225 V226 Y230 L231 A381 R384 | L68-H228 HydrophobicContact CD1-CB 4.05Å; L68-H228 HydrophobicContact CD2-CB 4.26Å; R225-H228 WeakPolarHBondContact O-CB 3.33Å; R225-H228 PolarHBondContact O-N 3.42Å; V226-H228 PolarHBondContact O-N 3.32Å; V226-H228 VanDerWaalsContact O-N 3.16Å; H228-Y230 PolarHBondContact O-N 2.8Å; H228-L231 WeakPolarHBondContact O-CB 3.43Å; H228-L231 PolarHBondContact O-N 2.97Å; H228-A381 PolarHBondContact CE1-O 3.32Å; H228-R384 HydrophobicContact CB-CB 3.87Å; H228-R384 WeakPolarHBondContact ND1-CB 3.23Å; H228-R384 PolarHBondContact ND1-NE 3.15Å; H228-R384 VanDerWaalsContact ND1-NE 3.16Å |
| 229 | R | 93.7 | Very high | 94.5 | Very high | 151 Ų | 151 | 57.1 Ų | 57.1 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -58.2 | -18.4 | -178.7 | 78.8 | -174.9 | -65 | -175.7 | 0.3 | 114.4 | V226 F227 A388 | V226-R229 WeakPolarHBondContact O-CG 3.44Å; V226-R229 PolarHBondContact O-N 3.43Å; F227-R229 PolarHBondContact O-N 3.43Å; R229-A388 HydrophobicContact CB-CB 3.84Å |
| 230 | Y | 94.7 | Very high | 94.6 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 27% | 0.271 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -97 | -6.4 | 179.3 | -56.1 | -81.2 | 0 | 0 | 0 | 113.2 | T117 V121 F227 H228 E232 | T117-Y230 PolarHBondContact OG1-O 3.09Å; V121-Y230 HydrophobicContact CG2-CD1 3.45Å; V121-Y230 VanDerWaalsContact CG2-CD1 3.45Å; V121-Y230 HydrophobicContact CG2-CD2 3.37Å; V121-Y230 HydrophobicContact CG2-CE1 3.62Å; V121-Y230 HydrophobicContact CG2-CE2 3.55Å; V121-Y230 HydrophobicContact CG2-CG 3.32Å; F227-Y230 PolarHBondContact O-N 3.05Å; F227-Y230 VanDerWaalsContact O-N 3.16Å; H228-Y230 PolarHBondContact O-N 2.8Å; Y230-E232 PolarHBondContact O-N 3.28Å; Y230-E232 VanDerWaalsContact O-N 3.15Å |
| 231 | L | 95 | Very high | 94.7 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | trans | -81.4 | 81.9 | 171.6 | -76.5 | 177.9 | 0 | 0 | 0 | 110.1 | I64 F67 L68 F109 F113 L118 H228 | I64-L231 HydrophobicContact CG2-CD1 4.11Å; F67-L231 HydrophobicContact CD1-CD1 4.07Å; F67-L231 HydrophobicContact CD1-CD2 4.08Å; F67-L231 HydrophobicContact CD1-CG 4.48Å; F67-L231 HydrophobicContact CE1-CD1 4.2Å; F67-L231 HydrophobicContact CE1-CD2 3.49Å; F67-L231 VanDerWaalsContact CE1-CD2 3.49Å; F67-L231 HydrophobicContact CE1-CG 4.1Å; F67-L231 HydrophobicContact CZ-CD2 4.43Å; L68-L231 HydrophobicContact CD2-CD1 3.84Å; F109-L231 HydrophobicContact CZ-CD2 3.9Å; F113-L231 HydrophobicContact CB-CD2 4.37Å; F113-L231 HydrophobicContact CD1-CB 4.07Å; F113-L231 HydrophobicContact CD1-CD2 4.16Å; F113-L231 HydrophobicContact CD2-CD2 4.26Å; F113-L231 HydrophobicContact CE1-CB 4.17Å; F113-L231 HydrophobicContact CG-CD2 4Å; L118-L231 HydrophobicContact CD2-CD2 4.38Å; H228-L231 WeakPolarHBondContact O-CB 3.43Å; H228-L231 PolarHBondContact O-N 2.97Å | ||
| 232 | E | 95.3 | Very high | 94.9 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 131.7 | 174.1 | -65 | -167.7 | 179.5 | 0 | 0 | 110.9 | F113 N114 T117 Y230 | F113-E232 CarbonylContact C-O 3.57Å; F113-E232 WeakPolarHBondContact CA-O 3.38Å; F113-E232 WeakPolarHBondContact CB-O 3.47Å; N114-E232 PolarHBondContact N-O 3Å; T117-E232 HydrophobicContact CG2-CB 4.03Å; T117-E232 HydrophobicContact CG2-CG 3.92Å; T117-E232 WeakPolarHBondContact CG2-OE2 3.23Å; Y230-E232 PolarHBondContact O-N 3.28Å; Y230-E232 VanDerWaalsContact O-N 3.15Å |
| 233 | W | 96.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.045 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -56.2 | 141.6 | 170.3 | -65.1 | 106.9 | 0 | 0 | 0 | 111 | L112 F113 I237 N238 E358 L361 A362 E385 | L112-W233 HydrophobicContact CB-CZ3 4.32Å; L112-W233 WeakPolarHBondContact O-CA 3.19Å; F113-W233 HydrophobicContact CD1-CD2 4.42Å; F113-W233 HydrophobicContact CD1-CE3 4.16Å; F113-W233 HydrophobicContact CD1-CZ3 4.48Å; F113-W233 AromaticContact CE1-CD2 3.97Å; F113-W233 HydrophobicContact CE1-CD2 3.97Å; F113-W233 AromaticContact CE1-CE3 3.75Å; F113-W233 HydrophobicContact CE1-CE3 3.75Å; F113-W233 AromaticContact CE1-CH2 3.94Å; F113-W233 HydrophobicContact CE1-CH2 3.94Å; F113-W233 HydrophobicContact CE1-CZ2 4.11Å; F113-W233 AromaticContact CE1-CZ3 3.74Å; F113-W233 HydrophobicContact CE1-CZ3 3.74Å; F113-W233 HydrophobicContact CE2-CZ3 4.45Å; F113-W233 HydrophobicContact CZ-CE3 4.21Å; F113-W233 AromaticContact CZ-CH2 3.81Å; F113-W233 HydrophobicContact CZ-CH2 3.81Å; F113-W233 HydrophobicContact CZ-CZ2 4.33Å; F113-W233 AromaticContact CZ-CZ3 3.73Å; F113-W233 HydrophobicContact CZ-CZ3 3.73Å; W233-I237 HydrophobicContact CB-CB 4.36Å; W233-I237 HydrophobicContact CB-CG2 4.1Å; W233-I237 HydrophobicContact CD2-CG2 3.96Å; W233-I237 HydrophobicContact CE3-CB 4.37Å; W233-I237 HydrophobicContact CE3-CD1 3.6Å; W233-I237 HydrophobicContact CE3-CG2 3.79Å; W233-I237 HydrophobicContact CG-CG2 4.11Å; W233-I237 HydrophobicContact CZ3-CD1 3.89Å; W233-N238 WeakPolarHBondContact CB-OD1 3.37Å; W233-N238 PolarHBondContact O-ND2 3.08Å; W233-N238 PolarHBondContact O-OD1 2.83Å; W233-E358 HydrophobicContact CH2-CB 4.11Å; W233-E358 WeakPolarHBondContact CH2-O 3.44Å; W233-E358 HydrophobicContact CZ3-CB 3.85Å; W233-L361 HydrophobicContact CH2-CB 3.87Å; W233-L361 HydrophobicContact CH2-CD1 4.15Å; W233-L361 HydrophobicContact CZ2-CB 3.61Å; W233-L361 HydrophobicContact CZ2-CD1 4.48Å; W233-A362 HydrophobicContact CD2-CB 3.83Å; W233-A362 HydrophobicContact CG-CB 4.01Å; W233-A362 HydrophobicContact CZ2-CB 4.14Å; W233-E385 PolarHBondContact NE1-OE2 3.37Å |
| 234 | N | 95.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 169.6 | 177.4 | 75.8 | 7.7 | 0 | 0 | 0 | 112.2 | G110 N111 L112 H236 I237 N238 | G110-N234 PolarHBondContact O-ND2 3.29Å; N111-N234 PolarHBondContact O-ND2 3.35Å; L112-N234 PolarHBondContact O-N 3.03Å; N234-H236 VanDerWaalsContact C-N 3.26Å; N234-H236 PolarHBondContact O-N 3.09Å; N234-H236 PolarHBondContact OD1-N 3.05Å; N234-I237 PolarHBondContact O-N 3.05Å; N234-I237 PolarHBondContact OD1-N 3.42Å; N234-N238 WeakPolarHBondContact O-CB 3.42Å; N234-N238 PolarHBondContact O-N 2.92Å; N234-N238 PolarHBondContact O-ND2 3.2Å; N234-N238 PolarHBondContact O-OD1 3.24Å |
| 235 | S | 96.2 | Very high | 95.6 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 63% | 0.629 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.5 | -36.2 | -178.3 | 55 | 0 | 0 | 0 | 0 | 113.3 | N238 L239 | S235-N238 PolarHBondContact O-N 3.16Å; S235-L239 WeakPolarHBondContact O-CB 3.22Å; S235-L239 VanDerWaalsContact O-CG 3.26Å; S235-L239 WeakPolarHBondContact O-CG 3.48Å; S235-L239 PolarHBondContact O-N 3.19Å |
| 236 | H | 94.9 | Very high | 95.7 | Very high | 118 Ų | 118 | 54.7 Ų | 54.7 | 55% | 0.546 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -50.7 | -179.8 | -177.9 | 69.7 | 0 | 0 | 0 | 112.1 | N234 N238 L239 A240 | N234-H236 VanDerWaalsContact C-N 3.26Å; N234-H236 PolarHBondContact O-N 3.09Å; N234-H236 PolarHBondContact OD1-N 3.05Å; H236-N238 VanDerWaalsContact C-N 3.28Å; H236-N238 PolarHBondContact O-N 3.41Å; H236-L239 PolarHBondContact O-N 3.34Å; H236-A240 WeakPolarHBondContact O-CB 3.35Å; H236-A240 PolarHBondContact O-N 3.38Å |
| 237 | I | 95.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 176.4 | -67.5 | 176.5 | 0 | 0 | 0 | 110.3 | L112 W233 N234 A240 T241 E358 A362 | L112-I237 HydrophobicContact CB-CD1 4.31Å; L112-I237 HydrophobicContact CD2-CD1 3.77Å; W233-I237 HydrophobicContact CB-CB 4.36Å; W233-I237 HydrophobicContact CB-CG2 4.1Å; W233-I237 HydrophobicContact CD2-CG2 3.96Å; W233-I237 HydrophobicContact CE3-CB 4.37Å; W233-I237 HydrophobicContact CE3-CD1 3.6Å; W233-I237 HydrophobicContact CE3-CG2 3.79Å; W233-I237 HydrophobicContact CG-CG2 4.11Å; W233-I237 HydrophobicContact CZ3-CD1 3.89Å; N234-I237 PolarHBondContact O-N 3.05Å; N234-I237 PolarHBondContact OD1-N 3.42Å; I237-A240 PolarHBondContact O-N 3.33Å; I237-T241 VanDerWaalsContact O-CB 3.28Å; I237-T241 WeakPolarHBondContact O-CB 3.44Å; I237-T241 PolarHBondContact O-N 3.43Å; I237-T241 PolarHBondContact O-OG1 3.36Å; I237-E358 HydrophobicContact CD1-CB 4.28Å; I237-E358 HydrophobicContact CD1-CG 4.06Å; I237-A362 HydrophobicContact CG2-CB 3.47Å; I237-A362 VanDerWaalsContact CG2-CB 3.47Å |
| 238 | N | 96.4 | Very high | 96 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.2 | -52.3 | 175.1 | -68.3 | -21.3 | 0 | 0 | 0 | 111.8 | W233 N234 S235 H236 T241 E242 R366 | W233-N238 WeakPolarHBondContact CB-OD1 3.37Å; W233-N238 PolarHBondContact O-ND2 3.08Å; W233-N238 PolarHBondContact O-OD1 2.83Å; N234-N238 WeakPolarHBondContact O-CB 3.42Å; N234-N238 PolarHBondContact O-N 2.92Å; N234-N238 PolarHBondContact O-ND2 3.2Å; N234-N238 PolarHBondContact O-OD1 3.24Å; S235-N238 PolarHBondContact O-N 3.16Å; H236-N238 VanDerWaalsContact C-N 3.28Å; H236-N238 PolarHBondContact O-N 3.41Å; N238-T241 PolarHBondContact O-N 3.4Å; N238-E242 WeakPolarHBondContact O-CG 3.41Å; N238-E242 PolarHBondContact O-N 3.15Å; N238-R366 PolarHBondContact O-NH1 3.26Å; N238-R366 VanDerWaalsContact O-NH1 3.08Å; N238-R366 PolarHBondContact OD1-NH2 2.87Å |
| 239 | L | 96.9 | Very high | 96.1 | Very high | 112 Ų | 112 | 63.2 Ų | 63.2 | 59% | 0.586 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.3 | -48.5 | 179.3 | -71.4 | 169.3 | 0 | 0 | 0 | 111.7 | S235 H236 T241 E242 D243 | S235-L239 WeakPolarHBondContact O-CB 3.22Å; S235-L239 VanDerWaalsContact O-CG 3.26Å; S235-L239 WeakPolarHBondContact O-CG 3.48Å; S235-L239 PolarHBondContact O-N 3.19Å; H236-L239 PolarHBondContact O-N 3.34Å; L239-T241 PolarHBondContact O-N 2.77Å; L239-E242 PolarHBondContact O-N 3.38Å; L239-D243 VanDerWaalsContact O-CB 3.25Å; L239-D243 WeakPolarHBondContact O-CB 3.36Å; L239-D243 PolarHBondContact O-N 3.26Å |
| 240 | A | 95.7 | Very high | 96.3 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 21% | 0.207 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -32.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H236 I237 F244 | H236-A240 WeakPolarHBondContact O-CB 3.35Å; H236-A240 PolarHBondContact O-N 3.38Å; I237-A240 PolarHBondContact O-N 3.33Å; A240-F244 WeakPolarHBondContact O-CB 3.42Å; A240-F244 PolarHBondContact O-N 3.06Å |
| 241 | T | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.9 | -49.2 | 176.3 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | I237 N238 L239 D243 F244 I245 A362 L363 | I237-T241 VanDerWaalsContact O-CB 3.28Å; I237-T241 WeakPolarHBondContact O-CB 3.44Å; I237-T241 PolarHBondContact O-N 3.43Å; I237-T241 PolarHBondContact O-OG1 3.36Å; N238-T241 PolarHBondContact O-N 3.4Å; L239-T241 PolarHBondContact O-N 2.77Å; T241-D243 VanDerWaalsContact C-N 3.33Å; T241-D243 PolarHBondContact O-N 3.41Å; T241-F244 PolarHBondContact O-N 3.47Å; T241-I245 HydrophobicContact CG2-CD1 4.07Å; T241-I245 WeakPolarHBondContact O-CG1 3.25Å; T241-I245 PolarHBondContact O-N 3.44Å; T241-A362 WeakPolarHBondContact OG1-CB 3.41Å; T241-L363 HydrophobicContact CG2-CB 4.08Å; T241-L363 HydrophobicContact CG2-CD1 4.08Å |
| 242 | E | 96.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 62.1 Ų | 62.1 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63 | -42 | 178.9 | -67.1 | -47.6 | 128.8 | 0 | 0 | 111.9 | N238 L239 F244 I245 N246 R366 | N238-E242 WeakPolarHBondContact O-CG 3.41Å; N238-E242 PolarHBondContact O-N 3.15Å; L239-E242 PolarHBondContact O-N 3.38Å; E242-F244 VanDerWaalsContact C-N 3.31Å; E242-F244 PolarHBondContact O-N 3.5Å; E242-I245 PolarHBondContact O-N 2.69Å; E242-N246 WeakPolarHBondContact O-CB 3.49Å; E242-N246 VanDerWaalsContact O-CG 3.25Å; E242-N246 PolarHBondContact O-N 3.22Å; E242-N246 PolarHBondContact O-ND2 3.23Å; E242-R366 VanDerWaalsContact OE1-CD 3.28Å; E242-R366 WeakPolarHBondContact OE1-CD 3.49Å; E242-R366 IonicContact OE1-CZ 3.55Å; E242-R366 IonicContact OE1-NE 3.76Å; E242-R366 IonicContact OE1-NH1 3.52Å; E242-R366 PolarHBondContact OE1-NH1 2.89Å |
| 243 | D | 97.1 | Very high | 96.6 | Very high | 71 Ų | 71 | 57.2 Ų | 57.2 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 174.8 | -92.1 | 16.1 | 0 | 0 | 0 | 112.3 | L239 T241 N246 R247 | L239-D243 VanDerWaalsContact O-CB 3.25Å; L239-D243 WeakPolarHBondContact O-CB 3.36Å; L239-D243 PolarHBondContact O-N 3.26Å; T241-D243 VanDerWaalsContact C-N 3.33Å; T241-D243 PolarHBondContact O-N 3.41Å; D243-N246 PolarHBondContact O-N 3.09Å; D243-R247 WeakPolarHBondContact O-CB 3.41Å; D243-R247 VanDerWaalsContact O-CG 3.24Å; D243-R247 WeakPolarHBondContact O-CG 3.38Å; D243-R247 PolarHBondContact O-N 3.47Å; D243-R247 PolarHBondContact O-NE 3.1Å; D243-R247 IonicContact OD2-CZ 3.86Å; D243-R247 IonicContact OD2-NH2 2.81Å; D243-R247 PolarHBondContact OD2-NH2 2.91Å |
| 244 | F | 97.5 | Very high | 96.7 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -45 | 177.9 | -173 | -86.3 | 0 | 0 | 0 | 111.1 | A240 T241 E242 N246 R247 W248 L249 Y325 V350 E352 L363 | A240-F244 WeakPolarHBondContact O-CB 3.42Å; A240-F244 PolarHBondContact O-N 3.06Å; T241-F244 PolarHBondContact O-N 3.47Å; E242-F244 VanDerWaalsContact C-N 3.31Å; E242-F244 PolarHBondContact O-N 3.5Å; F244-N246 PolarHBondContact O-N 2.95Å; F244-R247 PolarHBondContact O-N 2.82Å; F244-W248 AromaticContact CD2-CD1 3.53Å; F244-W248 HydrophobicContact CD2-CG 4.49Å; F244-W248 HydrophobicContact CE1-CB 4.28Å; F244-W248 AromaticContact CE2-CD1 3.6Å; F244-W248 HydrophobicContact CE2-CG 4.26Å; F244-W248 AromaticContact CG-CD1 3.99Å; F244-W248 HydrophobicContact CZ-CB 4.29Å; F244-W248 HydrophobicContact CZ-CG 4.39Å; F244-W248 WeakPolarHBondContact O-CB 3.36Å; F244-W248 PolarHBondContact O-N 3.08Å; F244-L249 HydrophobicContact CD1-CD1 4.3Å; F244-L249 HydrophobicContact CE1-CD1 4.26Å; F244-L249 HydrophobicContact CE1-CG 4.38Å; F244-Y325 AromaticContact CE1-CD2 3.88Å; F244-Y325 HydrophobicContact CE1-CD2 3.88Å; F244-Y325 AromaticContact CE1-CE2 3.57Å; F244-Y325 HydrophobicContact CE1-CE2 3.57Å; F244-Y325 HydrophobicContact CZ-CD2 4.35Å; F244-Y325 AromaticContact CZ-CE2 3.73Å; F244-Y325 HydrophobicContact CZ-CE2 3.73Å; F244-V350 HydrophobicContact CE1-CG1 4.36Å; F244-V350 HydrophobicContact CZ-CG1 3.92Å; F244-E352 HydrophobicContact CE2-CB 3.87Å; F244-E352 HydrophobicContact CE2-CG 4.19Å; F244-E352 HydrophobicContact CZ-CB 4.08Å; F244-L363 HydrophobicContact CD1-CD1 4.43Å; F244-L363 HydrophobicContact CD1-CD2 3.57Å; F244-L363 HydrophobicContact CE1-CD2 3.69Å |
| 245 | I | 96.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.1 | -51.3 | 177 | -68 | 167 | 0 | 0 | 0 | 110.1 | T241 E242 R247 L249 L363 | T241-I245 HydrophobicContact CG2-CD1 4.07Å; T241-I245 WeakPolarHBondContact O-CG1 3.25Å; T241-I245 PolarHBondContact O-N 3.44Å; E242-I245 PolarHBondContact O-N 2.69Å; I245-R247 PolarHBondContact O-N 2.94Å; I245-L249 HydrophobicContact CG1-CD1 4.31Å; I245-L249 WeakPolarHBondContact O-CB 3.24Å; I245-L249 PolarHBondContact O-N 2.75Å; I245-L249 VanDerWaalsContact O-O 3.13Å; I245-L363 HydrophobicContact CD1-CD1 3.71Å; I245-L363 HydrophobicContact CG1-CD1 3.3Å |
| 246 | N | 96.6 | Very high | 96.9 | Very high | 119 Ų | 119 | 51.3 Ų | 51.3 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.2 | -35.5 | -174.8 | -69 | -28.5 | 0 | 0 | 0 | 113 | E242 D243 F244 | E242-N246 WeakPolarHBondContact O-CB 3.49Å; E242-N246 VanDerWaalsContact O-CG 3.25Å; E242-N246 PolarHBondContact O-N 3.22Å; E242-N246 PolarHBondContact O-ND2 3.23Å; D243-N246 PolarHBondContact O-N 3.09Å; F244-N246 PolarHBondContact O-N 2.95Å |
| 247 | R | 96.3 | Very high | 97.1 | Very high | 153 Ų | 153 | 46 Ų | 46 | 58% | 0.577 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -78.2 | -44.6 | -179.6 | -71.5 | -175.9 | -109 | 172.5 | -10.2 | 112.5 | D243 F244 I245 R348 | D243-R247 WeakPolarHBondContact O-CB 3.41Å; D243-R247 VanDerWaalsContact O-CG 3.24Å; D243-R247 WeakPolarHBondContact O-CG 3.38Å; D243-R247 PolarHBondContact O-N 3.47Å; D243-R247 PolarHBondContact O-NE 3.1Å; D243-R247 IonicContact OD2-CZ 3.86Å; D243-R247 IonicContact OD2-NH2 2.81Å; D243-R247 PolarHBondContact OD2-NH2 2.91Å; F244-R247 PolarHBondContact O-N 2.82Å; I245-R247 PolarHBondContact O-N 2.94Å; R247-R348 PolarHBondContact O-NH1 3.13Å |
| 248 | W | 96.7 | Very high | 97.2 | Very high | 124 Ų | 124 | 46 Ų | 46 | 47% | 0.47 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -109.2 | -19.8 | -163.4 | -60.1 | 112.2 | 0 | 0 | 0 | 114.6 | F244 R348 V350 | F244-W248 AromaticContact CD2-CD1 3.53Å; F244-W248 HydrophobicContact CD2-CG 4.49Å; F244-W248 HydrophobicContact CE1-CB 4.28Å; F244-W248 AromaticContact CE2-CD1 3.6Å; F244-W248 HydrophobicContact CE2-CG 4.26Å; F244-W248 AromaticContact CG-CD1 3.99Å; F244-W248 HydrophobicContact CZ-CB 4.29Å; F244-W248 HydrophobicContact CZ-CG 4.39Å; F244-W248 WeakPolarHBondContact O-CB 3.36Å; F244-W248 PolarHBondContact O-N 3.08Å; W248-R348 WeakPolarHBondContact O-CD 3.36Å; W248-R348 PolarHBondContact O-NH1 2.89Å; W248-V350 HydrophobicContact CB-CG1 4.36Å |
| 249 | L | 97.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | trans | -118.7 | 133.9 | -170.5 | -54.8 | 175.8 | 0 | 0 | 0 | 112.5 | F244 I245 V253 Y325 V350 L363 | F244-L249 HydrophobicContact CD1-CD1 4.3Å; F244-L249 HydrophobicContact CE1-CD1 4.26Å; F244-L249 HydrophobicContact CE1-CG 4.38Å; I245-L249 HydrophobicContact CG1-CD1 4.31Å; I245-L249 WeakPolarHBondContact O-CB 3.24Å; I245-L249 PolarHBondContact O-N 2.75Å; I245-L249 VanDerWaalsContact O-O 3.13Å; L249-V253 HydrophobicContact CB-CG2 3.89Å; L249-V253 HydrophobicContact CD1-CG1 4.17Å; L249-V253 HydrophobicContact CD1-CG2 4.33Å; L249-Y325 HydrophobicContact CD2-CD2 4.41Å; L249-V350 HydrophobicContact CD2-CB 3.92Å; L249-V350 HydrophobicContact CD2-CG1 4.38Å; L249-V350 HydrophobicContact CD2-CG2 3.8Å; L249-L363 HydrophobicContact CD1-CD1 4.2Å | ||
| 250 | N | 96.8 | Very high | 97.2 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -93 | 119.3 | 167 | -64.7 | 1.1 | 0 | 0 | 0 | 109 | K322 S323 | N250-K322 HydrophobicContact CB-CB 3.79Å; N250-K322 WeakPolarHBondContact O-CB 3.3Å; N250-S323 WeakPolarHBondContact CA-OG 3.34Å; N250-S323 WeakPolarHBondContact CB-OG 3.26Å; N250-S323 PolarHBondContact N-OG 3.46Å; N250-S323 WeakPolarHBondContact O-CB 3.34Å; N250-S323 PolarHBondContact O-N 3.16Å; N250-S323 PolarHBondContact O-OG 2.75Å |
| 251 | K | 96.4 | Very high | 97.1 | Very high | 112 Ų | 112 | 40.3 Ų | 40.3 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -72.3 | 147.6 | 175.2 | -68 | -173.1 | 179.9 | 179.4 | 0 | 112 | V253 K322 | K251-V253 HydrophobicContact CG-CG2 4.21Å; K251-K322 WeakPolarHBondContact O-CD 3.46Å |
| 252 | P | 97.1 | Very high | 96.8 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | S | Bend | cis | -77.3 | 152.3 | -2 | 25.9 | -24.9 | 0 | 0 | 0 | 112.7 | I319 A321 K322 S323 D368 | P252-I319 HydrophobicContact CB-CD1 3.99Å; P252-I319 HydrophobicContact CB-CG1 4.24Å; P252-I319 HydrophobicContact CG-CG1 4.44Å; P252-I319 WeakPolarHBondContact CG-O 3.36Å; P252-A321 CarbonylContact O-C 3.53Å; P252-A321 VanDerWaalsContact O-CA 3.31Å; P252-A321 WeakPolarHBondContact O-CA 3.3Å; P252-K322 PolarHBondContact O-N 3.24Å; P252-S323 PolarHBondContact O-N 3.37Å; P252-D368 WeakPolarHBondContact CA-OD2 3.36Å; P252-D368 HydrophobicContact CB-CB 4Å |
| 253 | V | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130 | -172.7 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | L249 K251 S323 I367 D368 L369 | L249-V253 HydrophobicContact CB-CG2 3.89Å; L249-V253 HydrophobicContact CD1-CG1 4.17Å; L249-V253 HydrophobicContact CD1-CG2 4.33Å; K251-V253 HydrophobicContact CG-CG2 4.21Å; V253-S323 WeakPolarHBondContact CA-O 3.41Å; V253-I367 HydrophobicContact CB-CB 4.24Å; V253-I367 HydrophobicContact CB-CG2 4.23Å; V253-I367 HydrophobicContact CG1-CB 4.29Å; V253-I367 HydrophobicContact CG1-CG2 4.02Å; V253-D368 PolarHBondContact N-OD2 3.08Å; V253-D368 WeakPolarHBondContact O-CB 3.42Å; V253-D368 PolarHBondContact O-N 3.26Å; V253-L369 PolarHBondContact O-N 2.63Å |
| 254 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.1 | 161.2 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | V256 V316 I319 A321 S323 I324 Y325 L369 I371 | V254-V256 HydrophobicContact CG1-CG2 4.04Å; V254-V316 HydrophobicContact CB-CG2 4.45Å; V254-V316 HydrophobicContact CG2-CG2 4.09Å; V254-I319 HydrophobicContact CG2-CD1 3.74Å; V254-I319 HydrophobicContact CG2-CG1 4.14Å; V254-A321 HydrophobicContact CB-CB 4.45Å; V254-A321 HydrophobicContact CG2-CB 3.72Å; V254-S323 PolarHBondContact N-O 2.81Å; V254-I324 CarbonylContact O-C 3.58Å; V254-I324 VanDerWaalsContact O-CA 3.23Å; V254-I324 WeakPolarHBondContact O-CA 3.42Å; V254-Y325 PolarHBondContact O-N 3.34Å; V254-L369 CarbonylContact C-O 3.54Å; V254-L369 WeakPolarHBondContact CA-O 3.2Å; V254-L369 HydrophobicContact CG2-CB 4.43Å; V254-L369 HydrophobicContact CG2-CD2 4.26Å; V254-I371 HydrophobicContact CG1-CD1 3.55Å; V254-I371 HydrophobicContact CG1-CG1 4.05Å |
| 255 | G | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 143.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y325 L369 A370 I371 | G255-Y325 CarbonylContact C-O 3.53Å; G255-Y325 VanDerWaalsContact CA-O 3.3Å; G255-Y325 WeakPolarHBondContact CA-O 3.26Å; G255-L369 PolarHBondContact N-O 3.28Å; G255-A370 CarbonylContact O-C 3.54Å; G255-A370 WeakPolarHBondContact O-CA 3.08Å; G255-I371 PolarHBondContact O-N 3.19Å |
| 256 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.2 | -170.1 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | V254 L258 I312 I324 Y325 S327 I371 F396 | V254-V256 HydrophobicContact CG1-CG2 4.04Å; V256-L258 HydrophobicContact CG1-CD2 3.66Å; V256-L258 HydrophobicContact CG1-CG 3.94Å; V256-I312 HydrophobicContact CG1-CD1 4.22Å; V256-I312 HydrophobicContact CG1-CG1 4.44Å; V256-I312 HydrophobicContact CG2-CD1 3.91Å; V256-I312 HydrophobicContact CG2-CG1 3.82Å; V256-I324 HydrophobicContact CG2-CG2 4.06Å; V256-Y325 PolarHBondContact N-O 3.09Å; V256-S327 PolarHBondContact O-N 2.76Å; V256-I371 WeakPolarHBondContact CA-O 3.23Å; V256-I371 HydrophobicContact CG2-CD1 4.5Å; V256-F396 HydrophobicContact CG1-CE2 3.91Å; V256-F396 HydrophobicContact CG1-CZ 3.42Å; V256-F396 VanDerWaalsContact CG1-CZ 3.42Å |
| 257 | H | 98.5 | Very high | 96 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 104.8 | 170.1 | 176.2 | -136.8 | 0 | 0 | 0 | 110.3 | S327 L364 I371 L372 S376 Y378 S379 | H257-S327 WeakPolarHBondContact CA-O 3.43Å; H257-L364 HydrophobicContact CB-CD1 3.96Å; H257-I371 PolarHBondContact N-O 2.8Å; H257-L372 HydrophobicContact CB-CD2 4.06Å; H257-S376 PolarHBondContact CE1-OG 2.65Å; H257-Y378 AromaticContact CD2-CD1 3.86Å; H257-Y378 AromaticContact CD2-CE1 3.95Å; H257-Y378 AromaticContact CE1-CD1 3.41Å; H257-Y378 VanDerWaalsContact CE1-CD1 3.41Å; H257-Y378 WeakPolarHBondContact CE1-CD1 3.49Å; H257-Y378 AromaticContact CE1-CG 3.99Å; H257-Y378 AromaticContact ND1-CD1 3.76Å; H257-Y378 AromaticContact NE2-CD1 3.48Å; H257-Y378 WeakPolarHBondContact NE2-CD1 3.46Å; H257-Y378 AromaticContact NE2-CE1 3.94Å; H257-S379 PolarHBondContact ND1-OG 3.45Å |
| 258 | L | 98 | Very high | 95.9 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 104.9 | 175.1 | -58.7 | -179.5 | 0 | 0 | 0 | 109.3 | V256 V308 V326 S327 T328 D329 M333 F396 | V256-L258 HydrophobicContact CG1-CD2 3.66Å; V256-L258 HydrophobicContact CG1-CG 3.94Å; L258-V308 HydrophobicContact CD2-CG1 3.9Å; L258-V308 HydrophobicContact CD2-CG2 4.11Å; L258-V326 HydrophobicContact CD1-CG1 3.7Å; L258-V326 HydrophobicContact CG-CG1 4.06Å; L258-S327 PolarHBondContact N-O 3.4Å; L258-T328 VanDerWaalsContact O-CA 3.24Å; L258-T328 WeakPolarHBondContact O-CA 3.02Å; L258-T328 WeakPolarHBondContact O-CB 3.38Å; L258-T328 PolarHBondContact O-OG1 3.43Å; L258-D329 PolarHBondContact O-N 2.97Å; L258-M333 HydrophobicContact CD1-CB 4.26Å; L258-M333 HydrophobicContact CD1-CG 4.1Å; L258-M333 HydrophobicContact CD1-SD 3.89Å; L258-F396 HydrophobicContact CD2-CE2 3.87Å; L258-F396 HydrophobicContact CD2-CZ 3.72Å |
| 259 | R | 96.8 | Very high | 95.8 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | trans | -98 | 91.9 | 170.8 | -169.1 | 77.9 | 168.4 | 104.1 | 5.8 | 108.6 | D263 F264 D329 N373 | R259-D263 IonicContact CZ-OD1 2.67Å; R259-D263 IonicContact CZ-OD2 3.68Å; R259-D263 IonicContact NH1-OD1 2.61Å; R259-D263 PolarHBondContact NH1-OD1 3.39Å; R259-D263 IonicContact NH1-OD2 2.63Å; R259-D263 PolarHBondContact NH1-OD2 3.49Å; R259-D263 IonicContact NH2-OD1 2.65Å; R259-D263 IonicContact NH2-OD2 2.98Å; R259-D263 PolarHBondContact NH2-OD2 3.3Å; R259-F264 HydrophobicContact CB-CD1 3.94Å; R259-F264 HydrophobicContact CB-CE1 3.88Å; R259-F264 HydrophobicContact CB-CG 4.37Å; R259-F264 HydrophobicContact CB-CZ 4.27Å; R259-F264 HydrophobicContact CG-CB 3.93Å; R259-F264 HydrophobicContact CG-CD1 3.39Å; R259-F264 HydrophobicContact CG-CD2 3.54Å; R259-F264 HydrophobicContact CG-CE1 3.61Å; R259-F264 HydrophobicContact CG-CE2 3.77Å; R259-F264 HydrophobicContact CG-CG 3.33Å; R259-F264 HydrophobicContact CG-CZ 3.79Å; R259-F264 WeakPolarHBondContact O-CD1 3.31Å; R259-D329 WeakPolarHBondContact CA-OD1 3.28Å; R259-D329 VanDerWaalsContact CD-OD2 3.28Å; R259-D329 WeakPolarHBondContact CD-OD2 3.37Å; R259-D329 IonicContact CZ-OD2 3.06Å; R259-D329 IonicContact NE-OD2 3.36Å; R259-D329 IonicContact NH1-OD2 3.75Å; R259-D329 PolarHBondContact NH1-OD2 2.92Å; R259-N373 HydrophobicContact CB-CB 4.38Å | ||
| 260 | N | 95.6 | Very high | 95.5 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | trans | -134.8 | 19.1 | -171.6 | 62.7 | 25.1 | 0 | 0 | 0 | 113.1 | D329 N330 D331 | N260-D329 PolarHBondContact N-OD1 3.39Å; N260-D329 PolarHBondContact N-OD2 3.09Å; N260-D329 PolarHBondContact OD1-OD1 3.26Å; N260-N330 PolarHBondContact O-ND2 2.8Å; N260-N330 WeakPolarHBondContact OD1-CB 3.46Å; N260-D331 PolarHBondContact ND2-O 3.18Å; N260-D331 PolarHBondContact OD1-N 2.68Å | ||
| 261 | G | 93.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | trans | -69.1 | 154.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D263 F264 L265 D329 | G261-D263 VanDerWaalsContact C-N 3.26Å; G261-D263 PolarHBondContact O-N 3.05Å; G261-F264 WeakPolarHBondContact O-CB 3.43Å; G261-F264 PolarHBondContact O-N 2.98Å; G261-L265 PolarHBondContact O-N 3.47Å; G261-D329 VanDerWaalsContact CA-OD2 3.3Å; G261-D329 WeakPolarHBondContact CA-OD2 3.4Å; G261-D329 PolarHBondContact N-OD1 3.34Å; G261-D329 PolarHBondContact N-OD2 2.63Å | ||
| 262 | G | 91.5 | Very high | 94.8 | Very high | 43 Ų | 43 | 40.5 Ų | 40.5 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -33.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F264 L265 N266 | G262-F264 VanDerWaalsContact C-N 3.3Å; G262-F264 PolarHBondContact O-N 2.8Å; G262-L265 PolarHBondContact O-N 3.45Å; G262-N266 PolarHBondContact O-N 3.37Å; G262-N266 VanDerWaalsContact O-N 3.13Å; G262-N266 PolarHBondContact O-ND2 3.45Å |
| 263 | D | 91.3 | Very high | 94.2 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62 | -39.5 | 174.6 | 66.3 | -29.1 | 0 | 0 | 0 | 111.9 | R59 R259 G261 A267 | R59-D263 IonicContact CZ-OD2 2.9Å; R59-D263 IonicContact NH1-OD2 3.27Å; R59-D263 PolarHBondContact NH1-OD2 3.48Å; R59-D263 IonicContact NH2-OD2 2.75Å; R59-D263 PolarHBondContact NH2-OD2 3.09Å; R259-D263 IonicContact CZ-OD1 2.67Å; R259-D263 IonicContact CZ-OD2 3.68Å; R259-D263 IonicContact NH1-OD1 2.61Å; R259-D263 PolarHBondContact NH1-OD1 3.39Å; R259-D263 IonicContact NH1-OD2 2.63Å; R259-D263 PolarHBondContact NH1-OD2 3.49Å; R259-D263 IonicContact NH2-OD1 2.65Å; R259-D263 IonicContact NH2-OD2 2.98Å; R259-D263 PolarHBondContact NH2-OD2 3.3Å; G261-D263 VanDerWaalsContact C-N 3.26Å; G261-D263 PolarHBondContact O-N 3.05Å; D263-A267 PolarHBondContact O-N 3.19Å |
| 264 | F | 94 | Very high | 93.8 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.2 | -36.8 | 179.9 | -161.1 | -110.4 | 0 | 0 | 0 | 112.5 | R259 G261 G262 N266 A267 C268 C301 I302 N373 V375 | R259-F264 HydrophobicContact CB-CD1 3.94Å; R259-F264 HydrophobicContact CB-CE1 3.88Å; R259-F264 HydrophobicContact CB-CG 4.37Å; R259-F264 HydrophobicContact CB-CZ 4.27Å; R259-F264 HydrophobicContact CG-CB 3.93Å; R259-F264 HydrophobicContact CG-CD1 3.39Å; R259-F264 HydrophobicContact CG-CD2 3.54Å; R259-F264 HydrophobicContact CG-CE1 3.61Å; R259-F264 HydrophobicContact CG-CE2 3.77Å; R259-F264 HydrophobicContact CG-CG 3.33Å; R259-F264 HydrophobicContact CG-CZ 3.79Å; R259-F264 WeakPolarHBondContact O-CD1 3.31Å; G261-F264 WeakPolarHBondContact O-CB 3.43Å; G261-F264 PolarHBondContact O-N 2.98Å; G262-F264 VanDerWaalsContact C-N 3.3Å; G262-F264 PolarHBondContact O-N 2.8Å; F264-N266 VanDerWaalsContact C-N 3.28Å; F264-N266 PolarHBondContact O-N 3.05Å; F264-A267 WeakPolarHBondContact O-CB 3.48Å; F264-A267 PolarHBondContact O-N 3.37Å; F264-A267 VanDerWaalsContact O-N 3.14Å; F264-C268 PolarHBondContact O-N 3.06Å; F264-C268 PolarHBondContact O-SG 3.08Å; F264-C268 VanDerWaalsContact O-SG 3.37Å; F264-C301 WeakPolarHBondContact CE1-O 3.47Å; F264-I302 HydrophobicContact CD1-CD1 3.58Å; F264-I302 HydrophobicContact CE1-CD1 4.07Å; F264-N373 WeakPolarHBondContact CZ-OD1 3.4Å; F264-V375 HydrophobicContact CE2-CG1 4.07Å; F264-V375 HydrophobicContact CZ-CB 3.85Å; F264-V375 HydrophobicContact CZ-CG1 3.78Å |
| 265 | L | 94 | Very high | 93.4 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 41% | 0.414 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.7 | -45.1 | 171.1 | -68.9 | 173.7 | 0 | 0 | 0 | 111.2 | G261 G262 A267 C268 S269 I302 | G261-L265 PolarHBondContact O-N 3.47Å; G262-L265 PolarHBondContact O-N 3.45Å; L265-A267 PolarHBondContact O-N 3.39Å; L265-C268 PolarHBondContact O-N 3.16Å; L265-S269 PolarHBondContact O-N 3.02Å; L265-I302 HydrophobicContact CD2-CB 4.31Å; L265-I302 HydrophobicContact CD2-CD1 3.6Å; L265-I302 HydrophobicContact CD2-CG1 3.76Å; L265-I302 HydrophobicContact CD2-CG2 3.58Å; L265-I302 HydrophobicContact CG-CD1 4.38Å |
| 266 | N | 94.2 | Very high | 93.1 | Very high | 113 Ų | 113 | 57 Ų | 57 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 176.2 | -70.5 | -19.2 | 0 | 0 | 0 | 111.6 | G262 F264 C268 S269 | G262-N266 PolarHBondContact O-N 3.37Å; G262-N266 VanDerWaalsContact O-N 3.13Å; G262-N266 PolarHBondContact O-ND2 3.45Å; F264-N266 VanDerWaalsContact C-N 3.28Å; F264-N266 PolarHBondContact O-N 3.05Å; N266-C268 VanDerWaalsContact C-N 3.34Å; N266-C268 PolarHBondContact O-N 2.86Å; N266-S269 WeakPolarHBondContact O-CB 3.08Å; N266-S269 PolarHBondContact O-N 3.1Å; N266-S269 PolarHBondContact O-OG 3.44Å |
| 267 | A | 93.5 | Very high | 92.9 | Very high | 19 Ų | 19 | 60 Ų | 60 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D263 F264 L265 S269 H270 F279 | D263-A267 PolarHBondContact O-N 3.19Å; F264-A267 WeakPolarHBondContact O-CB 3.48Å; F264-A267 PolarHBondContact O-N 3.37Å; F264-A267 VanDerWaalsContact O-N 3.14Å; L265-A267 PolarHBondContact O-N 3.39Å; A267-S269 VanDerWaalsContact C-N 3.27Å; A267-S269 PolarHBondContact O-N 3Å; A267-H270 PolarHBondContact O-CD2 3.25Å; A267-H270 PolarHBondContact O-N 3.45Å; A267-F279 HydrophobicContact CB-CE2 3.72Å; A267-F279 HydrophobicContact CB-CZ 4.09Å |
| 268 | C | 96.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.4 | -22.1 | 177.5 | -68.6 | 0 | 0 | 0 | 0 | 113.4 | F264 L265 N266 H270 L271 C301 I302 | F264-C268 PolarHBondContact O-N 3.06Å; F264-C268 PolarHBondContact O-SG 3.08Å; F264-C268 VanDerWaalsContact O-SG 3.37Å; L265-C268 PolarHBondContact O-N 3.16Å; N266-C268 VanDerWaalsContact C-N 3.34Å; N266-C268 PolarHBondContact O-N 2.86Å; C268-H270 PolarHBondContact O-N 3.29Å; C268-L271 WeakPolarHBondContact O-CB 3.42Å; C268-L271 VanDerWaalsContact O-CG 3.28Å; C268-L271 WeakPolarHBondContact O-CG 3.37Å; C268-L271 PolarHBondContact O-N 2.72Å; C268-C301 VanDerWaalsContact CA-SG 3.52Å; C268-C301 HydrophobicContact CB-CB 3.85Å; C268-C301 WeakPolarHBondContact CB-SG 3.12Å; C268-C301 WeakPolarHBondContact SG-CB 3.36Å; C268-C301 CovalentContact SG-SG 2.02Å; C268-C301 PolarHBondContact SG-SG 3.41Å; C268-I302 HydrophobicContact CB-CD1 4.05Å; C268-I302 HydrophobicContact CB-CG1 3.57Å; C268-I302 WeakPolarHBondContact SG-CD1 3.45Å; C268-I302 WeakPolarHBondContact SG-CG1 3.43Å |
| 269 | S | 93.7 | Very high | 92.6 | Very high | 58 Ų | 58 | 64 Ų | 64 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -25.6 | 176.9 | 80 | 0 | 0 | 0 | 0 | 113.2 | L265 N266 A267 L271 K272 | L265-S269 PolarHBondContact O-N 3.02Å; N266-S269 WeakPolarHBondContact O-CB 3.08Å; N266-S269 PolarHBondContact O-N 3.1Å; N266-S269 PolarHBondContact O-OG 3.44Å; A267-S269 VanDerWaalsContact C-N 3.27Å; A267-S269 PolarHBondContact O-N 3Å; S269-L271 PolarHBondContact O-N 2.89Å; S269-K272 WeakPolarHBondContact O-CG 3.26Å; S269-K272 PolarHBondContact O-N 3.46Å |
| 270 | H | 91.7 | Very high | 92.5 | Very high | 118 Ų | 118 | 62.5 Ų | 62.5 | 55% | 0.546 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -68.6 | -13.4 | 176 | -68.2 | -75.1 | 0 | 0 | 0 | 113.6 | A267 C268 K272 S273 L275 | A267-H270 PolarHBondContact O-CD2 3.25Å; A267-H270 PolarHBondContact O-N 3.45Å; C268-H270 PolarHBondContact O-N 3.29Å; H270-K272 PolarHBondContact O-N 2.88Å; H270-K272 VanDerWaalsContact O-N 3.11Å; H270-S273 PolarHBondContact O-N 3.03Å; H270-S273 PolarHBondContact O-OG 3.23Å; H270-L275 HydrophobicContact CB-CD1 4.01Å |
| 271 | L | 91.4 | Very high | 92.5 | Very high | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -60.1 | -22.9 | 174 | -65.7 | -173.8 | 0 | 0 | 0 | 112.9 | C268 S269 S273 G274 L275 L278 V296 C301 | C268-L271 WeakPolarHBondContact O-CB 3.42Å; C268-L271 VanDerWaalsContact O-CG 3.28Å; C268-L271 WeakPolarHBondContact O-CG 3.37Å; C268-L271 PolarHBondContact O-N 2.72Å; S269-L271 PolarHBondContact O-N 2.89Å; L271-S273 PolarHBondContact O-N 2.99Å; L271-S273 VanDerWaalsContact O-N 3.14Å; L271-G274 PolarHBondContact O-N 3.26Å; L271-L275 HydrophobicContact CD2-CB 4.35Å; L271-L278 HydrophobicContact CD2-CB 4.04Å; L271-L278 HydrophobicContact CD2-CD2 3.72Å; L271-L278 HydrophobicContact CG-CD2 4.12Å; L271-V296 HydrophobicContact CD1-CG2 3.98Å; L271-V296 HydrophobicContact CD2-CB 4.34Å; L271-V296 HydrophobicContact CD2-CG1 3.35Å; L271-V296 HydrophobicContact CD2-CG2 4.05Å; L271-C301 HydrophobicContact CD1-CB 3.56Å |
| 272 | K | 85.8 | Confident | 92.5 | Very high | 190 Ų | 190 | 60.9 Ų | 60.9 | 83% | 0.826 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -59.9 | -20.1 | 173.9 | -65.4 | 179.9 | -179.6 | -179.4 | 0 | 113.4 | S269 H270 G274 | S269-K272 WeakPolarHBondContact O-CG 3.26Å; S269-K272 PolarHBondContact O-N 3.46Å; H270-K272 PolarHBondContact O-N 2.88Å; H270-K272 VanDerWaalsContact O-N 3.11Å; K272-G274 VanDerWaalsContact C-N 3.27Å; K272-G274 PolarHBondContact O-N 3.16Å |
| 273 | S | 85.9 | Confident | 92.6 | Very high | 87 Ų | 87 | 59.7 Ų | 59.7 | 61% | 0.608 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -85.7 | 9.8 | 175.9 | 75.9 | 0 | 0 | 0 | 0 | 114 | H270 L271 | H270-S273 PolarHBondContact O-N 3.03Å; H270-S273 PolarHBondContact O-OG 3.23Å; L271-S273 PolarHBondContact O-N 2.99Å; L271-S273 VanDerWaalsContact O-N 3.14Å |
| 274 | G | 88.7 | Confident | 92.7 | Very high | 57 Ų | 57 | 56.5 Ų | 56.5 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | trans | 76.6 | 23.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L271 K272 R276 | L271-G274 PolarHBondContact O-N 3.26Å; K272-G274 VanDerWaalsContact C-N 3.27Å; K272-G274 PolarHBondContact O-N 3.16Å; G274-R276 PolarHBondContact O-N 2.9Å | ||
| 275 | L | 90.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.335 | 30% | 0.298 | S | S | . | . | trans | -56.4 | 131 | 176.2 | -65.1 | 176.2 | 0 | 0 | 0 | 111.1 | H270 L271 L278 V296 | H270-L275 HydrophobicContact CB-CD1 4.01Å; L271-L275 HydrophobicContact CD2-CB 4.35Å; L275-L278 HydrophobicContact CD1-CD1 4.26Å; L275-V296 WeakPolarHBondContact O-CG1 3.4Å | ||
| 276 | R | 92.4 | Very high | 92.4 | Very high | 170 Ų | 170 | 52.4 Ų | 52.4 | 64% | 0.642 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -79 | -39.7 | 173.4 | -67.5 | -171.3 | -179.9 | -155.9 | 1.7 | 112.3 | G274 H285 K295 V296 | G274-R276 PolarHBondContact O-N 2.9Å; R276-H285 PolarHBondContact O-CE1 3.16Å; R276-K295 HydrophobicContact CB-CB 4.5Å; R276-K295 WeakPolarHBondContact O-CA 3.3Å; R276-V296 PolarHBondContact O-N 3.17Å |
| 277 | I | 92.7 | Very high | 92.1 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | trans | -124.9 | 136.5 | -179.6 | -65.6 | 168.5 | 0 | 0 | 0 | 108.2 | S281 | I277-S281 WeakPolarHBondContact CA-OG 3.38Š| ||
| 278 | L | 94.8 | Very high | 91.9 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | trans | -133.3 | 121.6 | 169.7 | -179.5 | 60.3 | 0 | 0 | 0 | 108.8 | L271 L275 S280 S281 V296 V375 | L271-L278 HydrophobicContact CD2-CB 4.04Å; L271-L278 HydrophobicContact CD2-CD2 3.72Å; L271-L278 HydrophobicContact CG-CD2 4.12Å; L275-L278 HydrophobicContact CD1-CD1 4.26Å; L278-S280 PolarHBondContact O-N 3.1Å; L278-S281 PolarHBondContact N-OG 2.75Å; L278-S281 VanDerWaalsContact O-CB 3.26Å; L278-S281 WeakPolarHBondContact O-CB 3.35Å; L278-S281 PolarHBondContact O-N 3.09Å; L278-S281 PolarHBondContact O-OG 3.02Å; L278-V296 HydrophobicContact CB-CG1 4.26Å; L278-V375 HydrophobicContact CB-CG1 4.27Å; L278-V375 HydrophobicContact CD2-CG1 3.89Å; L278-V375 HydrophobicContact CG-CG1 3.8Å | ||
| 279 | F | 95.6 | Very high | 91.4 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | -122.2 | -176.2 | -54.9 | -37.6 | 0 | 0 | 0 | 111.4 | F218 P219 A267 S281 V375 T377 | F218-F279 AromaticContact CE1-CD1 3.7Å; F218-F279 HydrophobicContact CE1-CD1 3.7Å; F218-F279 HydrophobicContact CE1-CE1 4.29Å; F218-F279 HydrophobicContact CZ-CB 4.4Å; F218-F279 HydrophobicContact CZ-CD1 4.01Å; F218-F279 HydrophobicContact CZ-CG 4.45Å; P219-F279 VanDerWaalsContact CG-O 3.3Å; P219-F279 WeakPolarHBondContact CG-O 3.42Å; A267-F279 HydrophobicContact CB-CE2 3.72Å; A267-F279 HydrophobicContact CB-CZ 4.09Å; F279-S281 VanDerWaalsContact C-N 3.32Å; F279-S281 PolarHBondContact O-N 2.97Å; F279-V375 HydrophobicContact CB-CG1 4.22Å; F279-V375 VanDerWaalsContact CB-O 3.25Å; F279-V375 WeakPolarHBondContact CB-O 3.24Å; F279-V375 HydrophobicContact CD2-CG1 3.7Å; F279-V375 HydrophobicContact CG-CG1 4.38Å; F279-T377 HydrophobicContact CB-CG2 4.34Å |
| 280 | S | 95.6 | Very high | 91 | Very high | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 20.4 | -178 | -57.1 | 0 | 0 | 0 | 0 | 113.8 | E65 L278 A282 Q283 C374 V375 T377 | E65-S280 PolarHBondContact OE1-OG 3.05Å; L278-S280 PolarHBondContact O-N 3.1Å; S280-A282 PolarHBondContact O-N 3Å; S280-A282 VanDerWaalsContact O-N 3.09Å; S280-Q283 WeakPolarHBondContact O-CB 3.39Å; S280-Q283 WeakPolarHBondContact O-CG 3.37Å; S280-Q283 PolarHBondContact O-N 3.1Å; S280-Q283 PolarHBondContact O-NE2 3.45Å; S280-Q283 VanDerWaalsContact O-NE2 3.1Å; S280-C374 CarbonylContact C-O 3.54Å; S280-V375 PolarHBondContact N-O 2.98Å; S280-T377 WeakPolarHBondContact OG-CG2 3.25Å |
| 281 | S | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29 | -177.3 | 73.4 | 0 | 0 | 0 | 0 | 114.4 | I277 L278 F279 Q283 C284 H285 C374 | I277-S281 WeakPolarHBondContact CA-OG 3.38Å; L278-S281 PolarHBondContact N-OG 2.75Å; L278-S281 VanDerWaalsContact O-CB 3.26Å; L278-S281 WeakPolarHBondContact O-CB 3.35Å; L278-S281 PolarHBondContact O-N 3.09Å; L278-S281 PolarHBondContact O-OG 3.02Å; F279-S281 VanDerWaalsContact C-N 3.32Å; F279-S281 PolarHBondContact O-N 2.97Å; S281-Q283 PolarHBondContact O-N 3.42Å; S281-C284 WeakPolarHBondContact O-CB 3Å; S281-C284 PolarHBondContact O-N 3.5Å; S281-H285 PolarHBondContact O-CD2 2.88Å; S281-H285 PolarHBondContact O-NE2 3.24Å; S281-H285 PolarHBondContact OG-NE2 3.09Å; S281-C374 WeakPolarHBondContact CA-O 3.24Å; S281-C374 PolarHBondContact N-O 2.97Å |
| 282 | A | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55 | -22.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S280 C284 H285 G286 D287 | S280-A282 PolarHBondContact O-N 3Å; S280-A282 VanDerWaalsContact O-N 3.09Å; A282-C284 PolarHBondContact O-N 3.33Å; A282-H285 PolarHBondContact O-N 3.4Å; A282-G286 CarbonylContact O-C 3.26Å; A282-G286 WeakPolarHBondContact O-CA 3.46Å; A282-G286 PolarHBondContact O-N 3.31Å; A282-D287 HydrophobicContact CB-CB 4.46Å; A282-D287 WeakPolarHBondContact CB-OD1 3.34Å |
| 283 | Q | 92.6 | Very high | 90.9 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -16.3 | 173.6 | 77.5 | -171.5 | -70.3 | 0 | 0 | 114 | S280 S281 C374 S376 A380 F395 | S280-Q283 WeakPolarHBondContact O-CB 3.39Å; S280-Q283 WeakPolarHBondContact O-CG 3.37Å; S280-Q283 PolarHBondContact O-N 3.1Å; S280-Q283 PolarHBondContact O-NE2 3.45Å; S280-Q283 VanDerWaalsContact O-NE2 3.1Å; S281-Q283 PolarHBondContact O-N 3.42Å; Q283-C374 PolarHBondContact NE2-O 3.26Å; Q283-S376 PolarHBondContact NE2-O 3.14Å; Q283-A380 VanDerWaalsContact OE1-CA 3.25Å; Q283-F395 HydrophobicContact CG-CE1 3.76Å; Q283-F395 HydrophobicContact CG-CZ 3.74Å; Q283-F395 VanDerWaalsContact OE1-CZ 3.28Å |
| 284 | C | 93.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -106.8 | -23.5 | -178.7 | -72.5 | 0 | 0 | 0 | 0 | 114.7 | S281 A282 M300 C374 F395 L398 | S281-C284 WeakPolarHBondContact O-CB 3Å; S281-C284 PolarHBondContact O-N 3.5Å; A282-C284 PolarHBondContact O-N 3.33Å; C284-M300 HydrophobicContact CB-CE 3.49Å; C284-M300 VanDerWaalsContact CB-CE 3.49Å; C284-C374 HydrophobicContact CB-CB 3.82Å; C284-C374 WeakPolarHBondContact CB-SG 3.23Å; C284-C374 WeakPolarHBondContact SG-CA 3.27Å; C284-C374 WeakPolarHBondContact SG-CB 3.04Å; C284-C374 CovalentContact SG-SG 2.02Å; C284-C374 PolarHBondContact SG-SG 2.67Å; C284-F395 WeakPolarHBondContact SG-CD1 3.22Å; C284-F395 VanDerWaalsContact SG-CD2 3.53Å; C284-F395 WeakPolarHBondContact SG-CG 3.11Å; C284-L398 HydrophobicContact CB-CD1 3.99Å; C284-L398 HydrophobicContact CB-CD2 4.4Å |
| 285 | H | 91.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -134.8 | 6.1 | -174.4 | 62.3 | 85.6 | 0 | 0 | 0 | 113.6 | R276 S281 A282 N289 E290 L291 | R276-H285 PolarHBondContact O-CE1 3.16Å; S281-H285 PolarHBondContact O-CD2 2.88Å; S281-H285 PolarHBondContact O-NE2 3.24Å; S281-H285 PolarHBondContact OG-NE2 3.09Å; A282-H285 PolarHBondContact O-N 3.4Å; H285-N289 PolarHBondContact CE1-OD1 3.08Å; H285-N289 PolarHBondContact ND1-OD1 2.92Å; H285-N289 CarbonylContact O-C 3.53Å; H285-N289 WeakPolarHBondContact O-CA 3.13Å; H285-E290 PolarHBondContact O-N 3.49Å; H285-L291 WeakPolarHBondContact CB-O 3.38Å; H285-L291 PolarHBondContact O-N 3.17Å; H285-L291 VanDerWaalsContact O-N 3.09Å |
| 286 | G | 90.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 162.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A282 F288 N289 E290 | A282-G286 CarbonylContact O-C 3.26Å; A282-G286 WeakPolarHBondContact O-CA 3.46Å; A282-G286 PolarHBondContact O-N 3.31Å; G286-F288 VanDerWaalsContact C-N 3.32Å; G286-N289 PolarHBondContact O-N 3.44Å; G286-E290 WeakPolarHBondContact CA-OE2 3.11Å |
| 287 | D | 88.9 | Confident | 91.7 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -23.3 | -175 | -65.8 | -89.3 | 0 | 0 | 0 | 112.9 | P222 R225 A282 E290 | P222-D287 HydrophobicContact CG-CB 3.84Å; P222-D287 VanDerWaalsContact CG-CG 3.44Å; P222-D287 WeakPolarHBondContact CG-OD2 2.97Å; R225-D287 IonicContact CZ-OD1 3.48Å; R225-D287 IonicContact CZ-OD2 2.71Å; R225-D287 IonicContact NH1-OD2 3.64Å; R225-D287 PolarHBondContact NH1-OD2 3.24Å; R225-D287 IonicContact NH2-OD1 2.77Å; R225-D287 PolarHBondContact NH2-OD1 3.41Å; R225-D287 IonicContact NH2-OD2 2.67Å; R225-D287 PolarHBondContact NH2-OD2 2.67Å; A282-D287 HydrophobicContact CB-CB 4.46Å; A282-D287 WeakPolarHBondContact CB-OD1 3.34Å; D287-E290 PolarHBondContact N-OE2 3.04Å; D287-E290 VanDerWaalsContact N-OE2 3.12Å |
| 288 | F | 89.1 | Confident | 91.8 | Very high | 167 Ų | 167 | 47.8 Ų | 47.8 | 73% | 0.732 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106 | 11.9 | 176.2 | -53.6 | -71.6 | 0 | 0 | 0 | 112.5 | G286 E290 | G286-F288 VanDerWaalsContact C-N 3.32Å; F288-E290 VanDerWaalsContact C-OE2 3.24Å; F288-E290 WeakPolarHBondContact CA-OE2 3.29Å; F288-E290 HydrophobicContact CB-CG 4.11Å; F288-E290 VanDerWaalsContact CD2-OE1 3.26Å; F288-E290 WeakPolarHBondContact CD2-OE1 3.38Å; F288-E290 VanDerWaalsContact N-CD 3.31Å; F288-E290 PolarHBondContact N-OE1 2.65Å; F288-E290 PolarHBondContact N-OE2 3.13Å |
| 289 | N | 84.7 | Confident | 91.9 | Very high | 33 Ų | 33 | 48 Ų | 48 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 51.3 | -175.3 | -48.6 | -66.1 | 0 | 0 | 0 | 112.4 | H285 G286 Y294 | H285-N289 PolarHBondContact CE1-OD1 3.08Å; H285-N289 PolarHBondContact ND1-OD1 2.92Å; H285-N289 CarbonylContact O-C 3.53Å; H285-N289 WeakPolarHBondContact O-CA 3.13Å; G286-N289 PolarHBondContact O-N 3.44Å; N289-Y294 WeakPolarHBondContact CB-O 3.27Å; N289-Y294 VanDerWaalsContact CG-O 3.27Å; N289-Y294 VanDerWaalsContact O-CD1 3.24Å; N289-Y294 WeakPolarHBondContact O-CD1 3.44Å; N289-Y294 PolarHBondContact OD1-O 3.33Å; N289-Y294 VanDerWaalsContact OD1-O 3.1Å |
| 290 | E | 85.5 | Confident | 91.9 | Very high | 84 Ų | 84 | 44.3 Ų | 44.3 | 39% | 0.393 | 22% | 0.219 | S | C | . | . | trans | -80.4 | -25.7 | -174.8 | -55.7 | 91.9 | 137.9 | 0 | 0 | 112 | H285 G286 D287 F288 | H285-E290 PolarHBondContact O-N 3.49Å; G286-E290 WeakPolarHBondContact CA-OE2 3.11Å; D287-E290 PolarHBondContact N-OE2 3.04Å; D287-E290 VanDerWaalsContact N-OE2 3.12Å; F288-E290 VanDerWaalsContact C-OE2 3.24Å; F288-E290 WeakPolarHBondContact CA-OE2 3.29Å; F288-E290 HydrophobicContact CB-CG 4.11Å; F288-E290 VanDerWaalsContact CD2-OE1 3.26Å; F288-E290 WeakPolarHBondContact CD2-OE1 3.38Å; F288-E290 VanDerWaalsContact N-CD 3.31Å; F288-E290 PolarHBondContact N-OE1 2.65Å; F288-E290 PolarHBondContact N-OE2 3.13Å | ||
| 291 | L | 88.2 | Confident | 92 | Very high | 33 Ų | 33 | 44 Ų | 44 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -119.4 | 142.4 | -176.4 | -62.3 | -176.7 | 0 | 0 | 0 | 112.4 | H285 Y294 G405 L409 | H285-L291 WeakPolarHBondContact CB-O 3.38Å; H285-L291 PolarHBondContact O-N 3.17Å; H285-L291 VanDerWaalsContact O-N 3.09Å; L291-Y294 VanDerWaalsContact C-CE1 3.42Å; L291-Y294 WeakPolarHBondContact O-CA 3.28Å; L291-Y294 VanDerWaalsContact O-CD1 3.29Å; L291-Y294 WeakPolarHBondContact O-CD1 3.24Å; L291-Y294 PolarHBondContact O-N 3.06Å; L291-G405 WeakPolarHBondContact CD1-O 3.16Å; L291-L409 HydrophobicContact CD1-CD1 3.73Å; L291-L409 HydrophobicContact CD1-CD2 3.91Å; L291-L409 HydrophobicContact CD1-CG 3.58Å; L291-L409 HydrophobicContact CG-CD2 4.14Å; L291-L409 HydrophobicContact CG-CG 4.36Å |
| 292 | P | 89 | Confident | 92.1 | Very high | 43 Ų | 43 | 46 Ų | 46 | 28% | 0.279 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 143.8 | 171.7 | 22 | -29.1 | 0 | 0 | 0 | 110.6 | Y294 N402 | P292-Y294 VanDerWaalsContact C-N 3.34Å; P292-Y294 VanDerWaalsContact CA-N 3.32Å; P292-Y294 HydrophobicContact CB-CD2 4.22Å; P292-Y294 HydrophobicContact CB-CE1 4.37Å; P292-Y294 HydrophobicContact CB-CE2 3.77Å; P292-Y294 VanDerWaalsContact N-CE1 3.32Å; P292-N402 WeakPolarHBondContact CG-OD1 3.28Å; P292-N402 PolarHBondContact O-ND2 3.12Å; P292-N402 VanDerWaalsContact O-ND2 3.09Å |
| 293 | P | 91.1 | Very high | 92.2 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -82.8 | 15.2 | 9.9 | 31.4 | -33 | 0 | 0 | 0 | 116 | K295 T297 M300 L398 | P293-K295 WeakPolarHBondContact CG-O 3.44Å; P293-K295 PolarHBondContact O-N 2.87Å; P293-T297 HydrophobicContact CB-CG2 4.02Å; P293-T297 HydrophobicContact CG-CG2 3.71Å; P293-M300 HydrophobicContact CG-SD 3.63Å; P293-L398 HydrophobicContact CG-CD2 4.5Å |
| 294 | Y | 91.6 | Very high | 92.4 | Very high | 131 Ų | 131 | 49.1 Ų | 49.1 | 51% | 0.514 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 62.7 | 3 | 175.9 | -46.9 | -67.3 | 0 | 0 | 0 | 115.7 | N289 L291 P292 | N289-Y294 WeakPolarHBondContact CB-O 3.27Å; N289-Y294 VanDerWaalsContact CG-O 3.27Å; N289-Y294 VanDerWaalsContact O-CD1 3.24Å; N289-Y294 WeakPolarHBondContact O-CD1 3.44Å; N289-Y294 PolarHBondContact OD1-O 3.33Å; N289-Y294 VanDerWaalsContact OD1-O 3.1Å; L291-Y294 VanDerWaalsContact C-CE1 3.42Å; L291-Y294 WeakPolarHBondContact O-CA 3.28Å; L291-Y294 VanDerWaalsContact O-CD1 3.29Å; L291-Y294 WeakPolarHBondContact O-CD1 3.24Å; L291-Y294 PolarHBondContact O-N 3.06Å; P292-Y294 VanDerWaalsContact C-N 3.34Å; P292-Y294 VanDerWaalsContact CA-N 3.32Å; P292-Y294 HydrophobicContact CB-CD2 4.22Å; P292-Y294 HydrophobicContact CB-CE1 4.37Å; P292-Y294 HydrophobicContact CB-CE2 3.77Å; P292-Y294 VanDerWaalsContact N-CE1 3.32Å |
| 295 | K | 93.2 | Very high | 92.6 | Very high | 116 Ų | 116 | 54.7 Ų | 54.7 | 50% | 0.504 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -159.7 | 156.2 | 171.2 | 58.5 | 175.8 | -176.8 | -179.5 | 0 | 109.1 | R276 P293 T297 | R276-K295 HydrophobicContact CB-CB 4.5Å; R276-K295 WeakPolarHBondContact O-CA 3.3Å; P293-K295 WeakPolarHBondContact CG-O 3.44Å; P293-K295 PolarHBondContact O-N 2.87Å; K295-T297 PolarHBondContact O-N 3.17Å |
| 296 | V | 94.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | trans | -58.9 | 136.5 | 169.3 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | L271 L275 R276 L278 V375 | L271-V296 HydrophobicContact CD1-CG2 3.98Å; L271-V296 HydrophobicContact CD2-CB 4.34Å; L271-V296 HydrophobicContact CD2-CG1 3.35Å; L271-V296 HydrophobicContact CD2-CG2 4.05Å; L275-V296 WeakPolarHBondContact O-CG1 3.4Å; R276-V296 PolarHBondContact O-N 3.17Å; L278-V296 HydrophobicContact CB-CG1 4.26Å; V296-V375 HydrophobicContact CG2-CG2 3.47Å; V296-V375 VanDerWaalsContact CG2-CG2 3.47Å | ||
| 297 | T | 94.7 | Very high | 93.2 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 27% | 0.27 | 31% | 0.31 | S | S | . | . | trans | -112.6 | 163.4 | 175.8 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | P293 K295 G299 M300 C301 | P293-T297 HydrophobicContact CB-CG2 4.02Å; P293-T297 HydrophobicContact CG-CG2 3.71Å; K295-T297 PolarHBondContact O-N 3.17Å; T297-G299 VanDerWaalsContact C-N 3.33Å; T297-G299 PolarHBondContact O-N 2.89Å; T297-M300 HydrophobicContact CG2-SD 4Å; T297-M300 WeakPolarHBondContact O-CB 3.5Å; T297-M300 PolarHBondContact O-N 3.18Å; T297-M300 VanDerWaalsContact O-N 3.14Å; T297-M300 WeakPolarHBondContact OG1-CG 3.45Å; T297-M300 PolarHBondContact OG1-N 3.22Å; T297-M300 PolarHBondContact OG1-SD 2.84Å; T297-C301 PolarHBondContact O-N 3.06Å | ||
| 298 | E | 94.9 | Very high | 93.7 | Very high | 149 Ų | 149 | 60.6 Ų | 60.6 | 70% | 0.696 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.2 | -43.8 | 177.3 | -173.1 | 168.4 | -162.3 | 0 | 0 | 111.8 | M300 C301 I302 | E298-M300 PolarHBondContact O-N 2.92Å; E298-C301 CarbonylContact O-C 3.53Å; E298-C301 PolarHBondContact O-N 3.16Å; E298-I302 CarbonylContact O-C 3.46Å; E298-I302 PolarHBondContact O-N 3.16Å |
| 299 | G | 95.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -22.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T297 P303 | T297-G299 VanDerWaalsContact C-N 3.33Å; T297-G299 PolarHBondContact O-N 2.89Å; G299-P303 WeakPolarHBondContact O-CB 3.47Å |
| 300 | M | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79 | -27.1 | 172.2 | -69.5 | 163.7 | 73.4 | 0 | 0 | 112.5 | C284 P293 T297 E298 C374 L398 | C284-M300 HydrophobicContact CB-CE 3.49Å; C284-M300 VanDerWaalsContact CB-CE 3.49Å; P293-M300 HydrophobicContact CG-SD 3.63Å; T297-M300 HydrophobicContact CG2-SD 4Å; T297-M300 WeakPolarHBondContact O-CB 3.5Å; T297-M300 PolarHBondContact O-N 3.18Å; T297-M300 VanDerWaalsContact O-N 3.14Å; T297-M300 WeakPolarHBondContact OG1-CG 3.45Å; T297-M300 PolarHBondContact OG1-N 3.22Å; T297-M300 PolarHBondContact OG1-SD 2.84Å; E298-M300 PolarHBondContact O-N 2.92Å; M300-C374 HydrophobicContact CB-CB 3.99Å; M300-C374 HydrophobicContact CE-CB 3.91Å; M300-C374 VanDerWaalsContact CE-SG 3.52Å; M300-L398 HydrophobicContact CE-CD2 3.95Å; M300-L398 HydrophobicContact CG-CD2 4.35Å; M300-L398 HydrophobicContact SD-CD2 4.03Å |
| 301 | C | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -88.2 | -61.2 | 179.7 | -147.4 | 0 | 0 | 0 | 0 | 110.5 | F264 C268 L271 T297 E298 N373 V375 | F264-C301 WeakPolarHBondContact CE1-O 3.47Å; C268-C301 VanDerWaalsContact CA-SG 3.52Å; C268-C301 HydrophobicContact CB-CB 3.85Å; C268-C301 WeakPolarHBondContact CB-SG 3.12Å; C268-C301 WeakPolarHBondContact SG-CB 3.36Å; C268-C301 CovalentContact SG-SG 2.02Å; C268-C301 PolarHBondContact SG-SG 3.41Å; L271-C301 HydrophobicContact CD1-CB 3.56Å; T297-C301 PolarHBondContact O-N 3.06Å; E298-C301 CarbonylContact O-C 3.53Å; E298-C301 PolarHBondContact O-N 3.16Å; C301-N373 PolarHBondContact O-ND2 2.84Å; C301-V375 HydrophobicContact CB-CG2 3.97Å |
| 302 | I | 96.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 53 Ų | 53 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -125.2 | 87.2 | -179.2 | -54.3 | -60.4 | 0 | 0 | 0 | 108.3 | F264 L265 C268 E298 | F264-I302 HydrophobicContact CD1-CD1 3.58Å; F264-I302 HydrophobicContact CE1-CD1 4.07Å; L265-I302 HydrophobicContact CD2-CB 4.31Å; L265-I302 HydrophobicContact CD2-CD1 3.6Å; L265-I302 HydrophobicContact CD2-CG1 3.76Å; L265-I302 HydrophobicContact CD2-CG2 3.58Å; L265-I302 HydrophobicContact CG-CD1 4.38Å; C268-I302 HydrophobicContact CB-CD1 4.05Å; C268-I302 HydrophobicContact CB-CG1 3.57Å; C268-I302 WeakPolarHBondContact SG-CD1 3.45Å; C268-I302 WeakPolarHBondContact SG-CG1 3.43Å; E298-I302 CarbonylContact O-C 3.46Å; E298-I302 PolarHBondContact O-N 3.16Å |
| 303 | P | 97.1 | Very high | 96.1 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | trans | -65.7 | 140.7 | 179.1 | 27.3 | -34.6 | 0 | 0 | 0 | 111.5 | G299 L307 V308 F396 | G299-P303 WeakPolarHBondContact O-CB 3.47Å; P303-L307 HydrophobicContact CB-CB 4.35Å; P303-L307 HydrophobicContact CB-CD2 3.7Å; P303-L307 HydrophobicContact CB-CG 4.08Å; P303-V308 HydrophobicContact CB-CG2 3.87Å; P303-V308 HydrophobicContact CG-CG2 3.72Å; P303-F396 HydrophobicContact CB-CB 3.87Å; P303-F396 HydrophobicContact CB-CD1 4.41Å; P303-F396 HydrophobicContact CB-CG 4.17Å; P303-F396 HydrophobicContact CG-CB 3.87Å; P303-F396 HydrophobicContact CG-CD1 4.39Å; P303-F396 HydrophobicContact CG-CD2 4.11Å; P303-F396 HydrophobicContact CG-CG 3.88Å | ||
| 304 | S | 97.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 51.1 Ų | 51.1 | 42% | 0.42 | 25% | 0.252 | S | S | . | . | trans | -64.9 | 162.4 | 172.1 | 83.4 | 0 | 0 | 0 | 0 | 111.1 | E306 L307 V308 | S304-E306 WeakPolarHBondContact CB-OE2 3.37Å; S304-E306 PolarHBondContact O-N 3.04Å; S304-E306 PolarHBondContact OG-N 3.46Å; S304-E306 PolarHBondContact OG-OE2 2.71Å; S304-L307 PolarHBondContact O-N 3.3Å; S304-L307 PolarHBondContact OG-N 3.21Å; S304-L307 VanDerWaalsContact OG-N 3.17Å; S304-V308 WeakPolarHBondContact O-CG2 3.3Å; S304-V308 PolarHBondContact O-N 3.08Å | ||
| 305 | K | 97.6 | Very high | 96.5 | Very high | 118 Ų | 118 | 44.9 Ų | 44.9 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.6 | -38.7 | 179 | -65.5 | -176.8 | 177.9 | 177.2 | 0 | 111.5 | V308 L309 M333 L336 | K305-V308 PolarHBondContact O-N 3.14Å; K305-L309 WeakPolarHBondContact O-CG 3.37Å; K305-L309 PolarHBondContact O-N 3.05Å; K305-M333 HydrophobicContact CB-CE 3.94Å; K305-M333 HydrophobicContact CG-CE 3.84Å; K305-L336 HydrophobicContact CB-CD2 3.85Å; K305-L336 HydrophobicContact CD-CD2 4.17Å; K305-L336 HydrophobicContact CG-CD2 4.32Å |
| 306 | E | 97.3 | Very high | 96.6 | Very high | 117 Ų | 117 | 39.7 Ų | 39.7 | 55% | 0.547 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65 | -46.6 | 177.8 | -59.5 | 66.6 | -140 | 0 | 0 | 110.6 | S304 V308 L309 Q310 | S304-E306 WeakPolarHBondContact CB-OE2 3.37Å; S304-E306 PolarHBondContact O-N 3.04Å; S304-E306 PolarHBondContact OG-N 3.46Å; S304-E306 PolarHBondContact OG-OE2 2.71Å; E306-V308 VanDerWaalsContact C-N 3.35Å; E306-V308 PolarHBondContact O-N 3.02Å; E306-L309 PolarHBondContact O-N 2.61Å; E306-Q310 WeakPolarHBondContact O-CB 3.46Å; E306-Q310 VanDerWaalsContact O-CG 3.27Å; E306-Q310 WeakPolarHBondContact O-CG 3.29Å; E306-Q310 PolarHBondContact O-N 2.9Å |
| 307 | L | 97.2 | Very high | 96.6 | Very high | 41 Ų | 41 | 46.9 Ų | 46.9 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 176.7 | 179 | 60.2 | 0 | 0 | 0 | 111.1 | P303 S304 L309 Q310 T311 | P303-L307 HydrophobicContact CB-CB 4.35Å; P303-L307 HydrophobicContact CB-CD2 3.7Å; P303-L307 HydrophobicContact CB-CG 4.08Å; S304-L307 PolarHBondContact O-N 3.3Å; S304-L307 PolarHBondContact OG-N 3.21Å; S304-L307 VanDerWaalsContact OG-N 3.17Å; L307-L309 PolarHBondContact O-N 3.47Å; L307-Q310 PolarHBondContact O-N 2.93Å; L307-T311 PolarHBondContact O-N 3Å; L307-T311 PolarHBondContact O-OG1 3.39Å |
| 308 | V | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.8 | -51.5 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L258 P303 S304 K305 E306 Q310 T311 I312 M333 F396 | L258-V308 HydrophobicContact CD2-CG1 3.9Å; L258-V308 HydrophobicContact CD2-CG2 4.11Å; P303-V308 HydrophobicContact CB-CG2 3.87Å; P303-V308 HydrophobicContact CG-CG2 3.72Å; S304-V308 WeakPolarHBondContact O-CG2 3.3Å; S304-V308 PolarHBondContact O-N 3.08Å; K305-V308 PolarHBondContact O-N 3.14Å; E306-V308 VanDerWaalsContact C-N 3.35Å; E306-V308 PolarHBondContact O-N 3.02Å; V308-Q310 PolarHBondContact O-N 3.44Å; V308-T311 PolarHBondContact O-N 2.92Å; V308-I312 HydrophobicContact CG1-CD1 3.64Å; V308-I312 HydrophobicContact CG1-CG1 4.42Å; V308-I312 WeakPolarHBondContact O-CB 3.21Å; V308-I312 WeakPolarHBondContact O-CG1 3.18Å; V308-I312 PolarHBondContact O-N 3.11Å; V308-M333 HydrophobicContact CB-CE 4.01Å; V308-M333 HydrophobicContact CG1-CE 3.87Å; V308-M333 HydrophobicContact CG1-SD 4.18Å; V308-M333 HydrophobicContact CG2-CE 4.4Å; V308-M333 HydrophobicContact CG2-SD 4.38Å; V308-F396 HydrophobicContact CB-CE1 4.24Å; V308-F396 HydrophobicContact CG1-CE1 4.2Å; V308-F396 HydrophobicContact CG1-CZ 4.32Å; V308-F396 HydrophobicContact CG2-CD1 4.43Å; V308-F396 HydrophobicContact CG2-CE1 4.09Å; V308-F396 HydrophobicContact CG2-CZ 4.36Å |
| 309 | L | 98 | Very high | 96.5 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | -180 | -67.8 | 176.1 | 0 | 0 | 0 | 112.7 | K305 E306 L307 S313 L336 I337 H340 | K305-L309 WeakPolarHBondContact O-CG 3.37Å; K305-L309 PolarHBondContact O-N 3.05Å; E306-L309 PolarHBondContact O-N 2.61Å; L307-L309 PolarHBondContact O-N 3.47Å; L309-S313 VanDerWaalsContact O-CB 3.27Å; L309-S313 WeakPolarHBondContact O-CB 3.06Å; L309-S313 PolarHBondContact O-N 2.93Å; L309-S313 PolarHBondContact O-OG 3.21Å; L309-L336 HydrophobicContact CD1-CD1 4.09Å; L309-L336 HydrophobicContact CD1-CD2 3.89Å; L309-L336 HydrophobicContact CD1-CG 3.82Å; L309-L336 HydrophobicContact CD2-CD2 4.44Å; L309-L336 HydrophobicContact CD2-CG 4.14Å; L309-L336 HydrophobicContact CG-CD2 4.21Å; L309-L336 HydrophobicContact CG-CG 4.29Å; L309-I337 HydrophobicContact CD2-CG1 4.11Å; L309-H340 HydrophobicContact CD1-CB 4.39Å; L309-H340 HydrophobicContact CD2-CB 3.84Å |
| 310 | Q | 96.8 | Very high | 96.5 | Very high | 129 Ų | 129 | 46 Ų | 46 | 60% | 0.603 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.7 | -47.7 | 178.2 | -75.3 | 175.1 | -7.7 | 0 | 0 | 111.6 | E306 L307 V308 S313 Y314 | E306-Q310 WeakPolarHBondContact O-CB 3.46Å; E306-Q310 VanDerWaalsContact O-CG 3.27Å; E306-Q310 WeakPolarHBondContact O-CG 3.29Å; E306-Q310 PolarHBondContact O-N 2.9Å; L307-Q310 PolarHBondContact O-N 2.93Å; V308-Q310 PolarHBondContact O-N 3.44Å; Q310-S313 PolarHBondContact O-N 3.33Å; Q310-Y314 PolarHBondContact O-N 3.39Å |
| 311 | T | 97 | Very high | 96.5 | Very high | 12 Ų | 12 | 46 Ų | 46 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 178.8 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | L307 V308 S313 Y314 G315 I371 M394 F396 | L307-T311 PolarHBondContact O-N 3Å; L307-T311 PolarHBondContact O-OG1 3.39Å; V308-T311 PolarHBondContact O-N 2.92Å; T311-S313 VanDerWaalsContact C-N 3.33Å; T311-S313 PolarHBondContact O-N 3.02Å; T311-Y314 PolarHBondContact O-N 2.02Å; T311-G315 PolarHBondContact O-N 3.47Å; T311-I371 HydrophobicContact CG2-CD1 4.33Å; T311-I371 HydrophobicContact CG2-CG2 3.66Å; T311-M394 HydrophobicContact CG2-CE 4.03Å; T311-F396 HydrophobicContact CG2-CD1 3.96Å; T311-F396 HydrophobicContact CG2-CE1 4.19Å |
| 312 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.8 | -63.7 | 169.9 | 0 | 0 | 0 | 110.4 | V256 V308 Y314 G315 V316 I324 I337 F341 I371 | V256-I312 HydrophobicContact CG1-CD1 4.22Å; V256-I312 HydrophobicContact CG1-CG1 4.44Å; V256-I312 HydrophobicContact CG2-CD1 3.91Å; V256-I312 HydrophobicContact CG2-CG1 3.82Å; V308-I312 HydrophobicContact CG1-CD1 3.64Å; V308-I312 HydrophobicContact CG1-CG1 4.42Å; V308-I312 WeakPolarHBondContact O-CB 3.21Å; V308-I312 WeakPolarHBondContact O-CG1 3.18Å; V308-I312 PolarHBondContact O-N 3.11Å; I312-Y314 VanDerWaalsContact C-N 3.27Å; I312-Y314 PolarHBondContact O-N 3.45Å; I312-G315 PolarHBondContact O-N 3.22Å; I312-V316 HydrophobicContact CG2-CG2 4.07Å; I312-V316 WeakPolarHBondContact O-CB 3.49Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.48Å; I312-V316 PolarHBondContact O-N 2.82Å; I312-I324 HydrophobicContact CG2-CD1 3.72Å; I312-I324 HydrophobicContact CG2-CG1 4.23Å; I312-I324 HydrophobicContact CG2-CG2 4.28Å; I312-I337 HydrophobicContact CD1-CD1 4.01Å; I312-I337 HydrophobicContact CD1-CG1 4.29Å; I312-F341 HydrophobicContact CB-CE2 4.25Å; I312-F341 HydrophobicContact CB-CZ 4.17Å; I312-F341 HydrophobicContact CG2-CE2 3.58Å; I312-F341 HydrophobicContact CG2-CZ 3.57Å; I312-I371 HydrophobicContact CB-CD1 4.41Å; I312-I371 HydrophobicContact CG1-CD1 4.12Å |
| 313 | S | 97.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 49 Ų | 49 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 179.9 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | L309 Q310 T311 R317 H340 F341 | L309-S313 VanDerWaalsContact O-CB 3.27Å; L309-S313 WeakPolarHBondContact O-CB 3.06Å; L309-S313 PolarHBondContact O-N 2.93Å; L309-S313 PolarHBondContact O-OG 3.21Å; Q310-S313 PolarHBondContact O-N 3.33Å; T311-S313 VanDerWaalsContact C-N 3.33Å; T311-S313 PolarHBondContact O-N 3.02Å; S313-R317 WeakPolarHBondContact O-CG 3.3Å; S313-R317 PolarHBondContact O-N 2.93Å; S313-R317 VanDerWaalsContact O-N 3.08Å; S313-R317 PolarHBondContact O-NH1 3.24Å; S313-H340 PolarHBondContact OG-CD2 3.1Å; S313-H340 PolarHBondContact OG-NE2 3.18Å; S313-F341 WeakPolarHBondContact OG-CZ 3.31Å |
| 314 | Y | 95.3 | Very high | 96.7 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -48.9 | 175 | 178.5 | -90.6 | 0 | 0 | 0 | 111.9 | Q310 T311 I312 V316 R317 L318 M394 I400 Y425 | Q310-Y314 PolarHBondContact O-N 3.39Å; T311-Y314 PolarHBondContact O-N 2.02Å; I312-Y314 VanDerWaalsContact C-N 3.27Å; I312-Y314 PolarHBondContact O-N 3.45Å; Y314-V316 VanDerWaalsContact C-N 3.33Å; Y314-V316 PolarHBondContact O-N 3.21Å; Y314-R317 PolarHBondContact O-N 3.07Å; Y314-L318 HydrophobicContact CE1-CD2 4.25Å; Y314-L318 WeakPolarHBondContact O-CB 3.23Å; Y314-L318 PolarHBondContact O-N 3.36Å; Y314-M394 HydrophobicContact CD1-CE 3.45Å; Y314-M394 VanDerWaalsContact CD1-CE 3.45Å; Y314-M394 HydrophobicContact CD1-SD 3.79Å; Y314-M394 HydrophobicContact CE1-CE 3.73Å; Y314-M394 HydrophobicContact CE1-SD 3.91Å; Y314-I400 HydrophobicContact CD2-CD1 3.86Å; Y314-I400 HydrophobicContact CD2-CG1 4.16Å; Y314-I400 HydrophobicContact CE2-CD1 3.56Å; Y314-I400 HydrophobicContact CE2-CG1 3.78Å; Y314-I400 HydrophobicContact CE2-CG2 4.2Å; Y314-I400 WeakPolarHBondContact OH-CG2 3.46Å; Y314-Y425 PolarHBondContact OH-OH 3.43Å |
| 315 | G | 95.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T311 I312 L318 I319 | T311-G315 PolarHBondContact O-N 3.47Å; I312-G315 PolarHBondContact O-N 3.22Å; G315-L318 PolarHBondContact O-N 3.4Å; G315-I319 PolarHBondContact O-N 3.33Å |
| 316 | V | 96.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.2 | 166.2 | 0 | 0 | 0 | 0 | 111.1 | V254 I312 Y314 K320 A321 I324 F341 V346 | V254-V316 HydrophobicContact CB-CG2 4.45Å; V254-V316 HydrophobicContact CG2-CG2 4.09Å; I312-V316 HydrophobicContact CG2-CG2 4.07Å; I312-V316 WeakPolarHBondContact O-CB 3.49Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.48Å; I312-V316 PolarHBondContact O-N 2.82Å; Y314-V316 VanDerWaalsContact C-N 3.33Å; Y314-V316 PolarHBondContact O-N 3.21Å; V316-K320 CarbonylContact O-C 3.4Å; V316-K320 WeakPolarHBondContact O-CA 3.25Å; V316-K320 PolarHBondContact O-N 3.45Å; V316-A321 HydrophobicContact CB-CB 4.27Å; V316-A321 HydrophobicContact CG1-CB 4.2Å; V316-A321 HydrophobicContact CG2-CB 4.12Å; V316-A321 PolarHBondContact O-N 2.95Å; V316-I324 HydrophobicContact CG2-CD1 3.93Å; V316-I324 HydrophobicContact CG2-CG1 3.92Å; V316-F341 HydrophobicContact CB-CE1 4.05Å; V316-F341 HydrophobicContact CG1-CD1 4.45Å; V316-F341 HydrophobicContact CG1-CE1 4.11Å; V316-F341 HydrophobicContact CG2-CE1 3.87Å; V316-F341 HydrophobicContact CG2-CZ 4.15Å; V316-V346 HydrophobicContact CG1-CG2 3.55Å; V316-V346 HydrophobicContact CG2-CG2 4.1Å |
| 317 | R | 95.1 | Very high | 96.9 | Very high | 159 Ų | 159 | 33.9 Ų | 33.9 | 60% | 0.6 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -64.4 | -43.7 | 176.7 | -73.3 | -171.5 | -57.9 | -93.7 | 3.2 | 111.8 | S313 Y314 I319 K320 | S313-R317 WeakPolarHBondContact O-CG 3.3Å; S313-R317 PolarHBondContact O-N 2.93Å; S313-R317 VanDerWaalsContact O-N 3.08Å; S313-R317 PolarHBondContact O-NH1 3.24Å; Y314-R317 PolarHBondContact O-N 3.07Å; R317-I319 VanDerWaalsContact C-N 3.31Å; R317-I319 PolarHBondContact O-N 3.19Å; R317-K320 PolarHBondContact O-N 3.02Å |
| 318 | L | 92.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 33 Ų | 33 | 14% | 0.141 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.4 | -41.7 | -176.1 | -177.9 | 66.7 | 0 | 0 | 0 | 112.6 | Y314 G315 L369 M394 W421 L424 Y425 | Y314-L318 HydrophobicContact CE1-CD2 4.25Å; Y314-L318 WeakPolarHBondContact O-CB 3.23Å; Y314-L318 PolarHBondContact O-N 3.36Å; G315-L318 PolarHBondContact O-N 3.4Å; L318-L369 HydrophobicContact CD2-CD2 4.27Å; L318-M394 HydrophobicContact CD2-SD 4.45Å; L318-W421 HydrophobicContact CD1-CZ3 4.44Å; L318-W421 HydrophobicContact CD2-CE3 4.28Å; L318-W421 HydrophobicContact CD2-CH2 3.97Å; L318-W421 HydrophobicContact CD2-CZ3 3.4Å; L318-L424 HydrophobicContact CD1-CB 4.29Å; L318-L424 HydrophobicContact CD2-CD1 3.73Å; L318-L424 HydrophobicContact CG-CB 4.41Å; L318-L424 HydrophobicContact CG-CD1 4.26Å; L318-Y425 HydrophobicContact CD1-CE1 4.3Å; L318-Y425 HydrophobicContact CD1-CE2 4.44Å |
| 319 | I | 94.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -107.4 | 3.4 | -178.7 | 75.3 | 175.9 | 0 | 0 | 0 | 113.7 | P252 V254 G315 R317 A321 D368 L369 L424 | P252-I319 HydrophobicContact CB-CD1 3.99Å; P252-I319 HydrophobicContact CB-CG1 4.24Å; P252-I319 HydrophobicContact CG-CG1 4.44Å; P252-I319 WeakPolarHBondContact CG-O 3.36Å; V254-I319 HydrophobicContact CG2-CD1 3.74Å; V254-I319 HydrophobicContact CG2-CG1 4.14Å; G315-I319 PolarHBondContact O-N 3.33Å; R317-I319 VanDerWaalsContact C-N 3.31Å; R317-I319 PolarHBondContact O-N 3.19Å; I319-A321 VanDerWaalsContact C-N 3.3Å; I319-A321 HydrophobicContact CD1-CB 4.06Å; I319-A321 HydrophobicContact CG1-CB 3.77Å; I319-A321 PolarHBondContact O-N 2.88Å; I319-D368 HydrophobicContact CD1-CB 3.91Å; I319-L369 HydrophobicContact CD1-CB 3.73Å; I319-L369 HydrophobicContact CG2-CB 4.17Å; I319-L369 HydrophobicContact CG2-CD2 4.13Å; I319-L424 HydrophobicContact CG2-CD2 3.8Å |
| 320 | K | 95.9 | Very high | 96.3 | Very high | 142 Ų | 142 | 39.5 Ų | 39.5 | 62% | 0.617 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 48.3 | -171.2 | -58.6 | 170.4 | -176.4 | 158.4 | 0 | 111.6 | V316 R317 K427 | V316-K320 CarbonylContact O-C 3.4Å; V316-K320 WeakPolarHBondContact O-CA 3.25Å; V316-K320 PolarHBondContact O-N 3.45Å; R317-K320 PolarHBondContact O-N 3.02Å; K320-K427 PolarHBondContact NZ-O 3.1Å |
| 321 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -58.3 | 140.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P252 V254 V316 I319 T345 | P252-A321 CarbonylContact O-C 3.53Å; P252-A321 VanDerWaalsContact O-CA 3.31Å; P252-A321 WeakPolarHBondContact O-CA 3.3Å; V254-A321 HydrophobicContact CB-CB 4.45Å; V254-A321 HydrophobicContact CG2-CB 3.72Å; V316-A321 HydrophobicContact CB-CB 4.27Å; V316-A321 HydrophobicContact CG1-CB 4.2Å; V316-A321 HydrophobicContact CG2-CB 4.12Å; V316-A321 PolarHBondContact O-N 2.95Å; I319-A321 VanDerWaalsContact C-N 3.3Å; I319-A321 HydrophobicContact CD1-CB 4.06Å; I319-A321 HydrophobicContact CG1-CB 3.77Å; I319-A321 PolarHBondContact O-N 2.88Å; A321-T345 PolarHBondContact O-OG1 2.86Å | ||
| 322 | K | 98.3 | Very high | 96.2 | Very high | 105 Ų | 105 | 36.8 Ų | 36.8 | 46% | 0.457 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -101.5 | -17 | 172.7 | -65.1 | -174.9 | -166.2 | 170.4 | 0 | 112.2 | N250 K251 P252 V346 K347 R348 | N250-K322 HydrophobicContact CB-CB 3.79Å; N250-K322 WeakPolarHBondContact O-CB 3.3Å; K251-K322 WeakPolarHBondContact O-CD 3.46Å; P252-K322 PolarHBondContact O-N 3.24Å; K322-V346 CarbonylContact O-C 3.57Å; K322-K347 PolarHBondContact O-N 2.85Å; K322-R348 PolarHBondContact O-N 3.3Å |
| 323 | S | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.2 | 174.3 | -46.7 | 0 | 0 | 0 | 0 | 112.5 | N250 P252 V253 V254 R348 | N250-S323 WeakPolarHBondContact CA-OG 3.34Å; N250-S323 WeakPolarHBondContact CB-OG 3.26Å; N250-S323 PolarHBondContact N-OG 3.46Å; N250-S323 WeakPolarHBondContact O-CB 3.34Å; N250-S323 PolarHBondContact O-N 3.16Å; N250-S323 PolarHBondContact O-OG 2.75Å; P252-S323 PolarHBondContact O-N 3.37Å; V253-S323 WeakPolarHBondContact CA-O 3.41Å; V254-S323 PolarHBondContact N-O 2.81Å; S323-R348 CarbonylContact C-O 3.59Å; S323-R348 VanDerWaalsContact CA-O 3.23Å; S323-R348 WeakPolarHBondContact CA-O 3.11Å |
| 324 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.7 | 168.1 | -58.8 | 165.2 | 0 | 0 | 0 | 107.6 | V254 V256 I312 V316 V326 I337 F341 V346 R348 V349 V350 | V254-I324 CarbonylContact O-C 3.58Å; V254-I324 VanDerWaalsContact O-CA 3.23Å; V254-I324 WeakPolarHBondContact O-CA 3.42Å; V256-I324 HydrophobicContact CG2-CG2 4.06Å; I312-I324 HydrophobicContact CG2-CD1 3.72Å; I312-I324 HydrophobicContact CG2-CG1 4.23Å; I312-I324 HydrophobicContact CG2-CG2 4.28Å; V316-I324 HydrophobicContact CG2-CD1 3.93Å; V316-I324 HydrophobicContact CG2-CG1 3.92Å; I324-V326 HydrophobicContact CG2-CG2 4.27Å; I324-I337 HydrophobicContact CD1-CG2 3.92Å; I324-I337 HydrophobicContact CG2-CG2 4.39Å; I324-F341 HydrophobicContact CD1-CD1 4.21Å; I324-F341 HydrophobicContact CD1-CD2 3.45Å; I324-F341 VanDerWaalsContact CD1-CD2 3.45Å; I324-F341 HydrophobicContact CD1-CE1 4.34Å; I324-F341 HydrophobicContact CD1-CE2 3.62Å; I324-F341 HydrophobicContact CD1-CG 3.79Å; I324-F341 HydrophobicContact CD1-CZ 4.07Å; I324-V346 HydrophobicContact CD1-CG1 3.95Å; I324-V346 HydrophobicContact CD1-CG2 4.15Å; I324-V346 HydrophobicContact CG1-CG1 3.98Å; I324-V346 HydrophobicContact CG1-CG2 4.36Å; I324-R348 PolarHBondContact N-O 2.88Å; I324-V349 HydrophobicContact CB-CG1 4.42Å; I324-V349 HydrophobicContact CB-CG2 4.4Å; I324-V349 HydrophobicContact CD1-CG2 4.3Å; I324-V349 CarbonylContact O-C 3.58Å; I324-V349 WeakPolarHBondContact O-CA 3.29Å; I324-V350 PolarHBondContact O-N 2.97Å |
| 325 | Y | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.4 | 170.1 | -178.1 | -107 | 0 | 0 | 0 | 109.8 | F244 L249 V254 G255 V256 V350 R355 D360 L363 L364 | F244-Y325 AromaticContact CE1-CD2 3.88Å; F244-Y325 HydrophobicContact CE1-CD2 3.88Å; F244-Y325 AromaticContact CE1-CE2 3.57Å; F244-Y325 HydrophobicContact CE1-CE2 3.57Å; F244-Y325 HydrophobicContact CZ-CD2 4.35Å; F244-Y325 AromaticContact CZ-CE2 3.73Å; F244-Y325 HydrophobicContact CZ-CE2 3.73Å; L249-Y325 HydrophobicContact CD2-CD2 4.41Å; V254-Y325 PolarHBondContact O-N 3.34Å; G255-Y325 CarbonylContact C-O 3.53Å; G255-Y325 VanDerWaalsContact CA-O 3.3Å; G255-Y325 WeakPolarHBondContact CA-O 3.26Å; V256-Y325 PolarHBondContact N-O 3.09Å; Y325-V350 CarbonylContact C-O 3.59Å; Y325-V350 WeakPolarHBondContact CA-O 3.03Å; Y325-V350 HydrophobicContact CD2-CB 4.3Å; Y325-V350 HydrophobicContact CD2-CG1 4.32Å; Y325-R355 WeakPolarHBondContact OH-CD 3.34Å; Y325-D360 PolarHBondContact OH-OD1 3.05Å; Y325-L363 HydrophobicContact CD1-CD2 3.68Å; Y325-L363 HydrophobicContact CD1-CG 4.2Å; Y325-L363 HydrophobicContact CD2-CD2 3.97Å; Y325-L363 HydrophobicContact CE1-CD2 3.41Å; Y325-L363 VanDerWaalsContact CE1-CD2 3.41Å; Y325-L363 HydrophobicContact CE1-CG 4.17Å; Y325-L363 HydrophobicContact CE2-CD2 3.73Å; Y325-L363 HydrophobicContact CG-CD2 3.95Å; Y325-L363 VanDerWaalsContact CZ-CD2 3.45Å; Y325-L364 HydrophobicContact CD1-CD2 4.27Å |
| 326 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.4 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | L258 I324 P332 I337 V350 W351 | L258-V326 HydrophobicContact CD1-CG1 3.7Å; L258-V326 HydrophobicContact CG-CG1 4.06Å; I324-V326 HydrophobicContact CG2-CG2 4.27Å; V326-P332 HydrophobicContact CG1-CB 4.18Å; V326-I337 HydrophobicContact CG2-CD1 3.85Å; V326-V350 PolarHBondContact N-O 3.25Å; V326-W351 HydrophobicContact CB-CB 4.39Å; V326-W351 VanDerWaalsContact O-CD1 3.28Å |
| 327 | S | 97.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.1 | 163.5 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | V256 H257 L258 D360 | V256-S327 PolarHBondContact O-N 2.76Å; H257-S327 WeakPolarHBondContact CA-O 3.43Å; L258-S327 PolarHBondContact N-O 3.4Å; S327-D360 VanDerWaalsContact CB-OD2 3.31Å; S327-D360 WeakPolarHBondContact CB-OD2 3.32Å; S327-D360 WeakPolarHBondContact OG-CB 3.13Å; S327-D360 VanDerWaalsContact OG-CG 3.28Å; S327-D360 PolarHBondContact OG-OD2 3.35Å |
| 328 | T | 96.1 | Very high | 96.6 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 155.1 | -179.1 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | L258 N330 D331 P332 | L258-T328 VanDerWaalsContact O-CA 3.24Å; L258-T328 WeakPolarHBondContact O-CA 3.02Å; L258-T328 WeakPolarHBondContact O-CB 3.38Å; L258-T328 PolarHBondContact O-OG1 3.43Å; T328-N330 PolarHBondContact OG1-N 3.44Å; T328-N330 VanDerWaalsContact OG1-N 3.11Å; T328-D331 PolarHBondContact OG1-O 3.07Å; T328-P332 HydrophobicContact CG2-CB 3.77Å |
| 329 | D | 90.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 32% | 0.316 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -87.1 | -15 | 168.8 | 62.7 | -27.9 | 0 | 0 | 0 | 113.7 | L258 R259 N260 G261 | L258-D329 PolarHBondContact O-N 2.97Å; R259-D329 WeakPolarHBondContact CA-OD1 3.28Å; R259-D329 VanDerWaalsContact CD-OD2 3.28Å; R259-D329 WeakPolarHBondContact CD-OD2 3.37Å; R259-D329 IonicContact CZ-OD2 3.06Å; R259-D329 IonicContact NE-OD2 3.36Å; R259-D329 IonicContact NH1-OD2 3.75Å; R259-D329 PolarHBondContact NH1-OD2 2.92Å; N260-D329 PolarHBondContact N-OD1 3.39Å; N260-D329 PolarHBondContact N-OD2 3.09Å; N260-D329 PolarHBondContact OD1-OD1 3.26Å; G261-D329 VanDerWaalsContact CA-OD2 3.3Å; G261-D329 WeakPolarHBondContact CA-OD2 3.4Å; G261-D329 PolarHBondContact N-OD1 3.34Å; G261-D329 PolarHBondContact N-OD2 2.63Å |
| 330 | N | 94.2 | Very high | 97 | Very high | 95 Ų | 95 | 51.4 Ų | 51.4 | 51% | 0.508 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -151.6 | -96.4 | -174 | -179.2 | 38.8 | 0 | 0 | 0 | 112.4 | N260 T328 P332 | N260-N330 PolarHBondContact O-ND2 2.8Å; N260-N330 WeakPolarHBondContact OD1-CB 3.46Å; T328-N330 PolarHBondContact OG1-N 3.44Å; T328-N330 VanDerWaalsContact OG1-N 3.11Å; N330-P332 WeakPolarHBondContact O-CD 3.42Å |
| 331 | D | 96 | Very high | 97.1 | Very high | 69 Ų | 69 | 45 Ų | 45 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | trans | -89.5 | 113.8 | -175.2 | 178.7 | 13.8 | 0 | 0 | 0 | 111.2 | N260 T328 M333 | N260-D331 PolarHBondContact ND2-O 3.18Å; N260-D331 PolarHBondContact OD1-N 2.68Å; T328-D331 PolarHBondContact OG1-O 3.07Å; D331-M333 PolarHBondContact O-N 2.86Å; D331-M333 PolarHBondContact OD1-N 2.93Å | ||
| 332 | P | 96.7 | Very high | 97 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | trans | -76.5 | -6.4 | 179.3 | 34.1 | -38.8 | 0 | 0 | 0 | 113 | V326 T328 N330 L334 W351 | V326-P332 HydrophobicContact CG1-CB 4.18Å; T328-P332 HydrophobicContact CG2-CB 3.77Å; N330-P332 WeakPolarHBondContact O-CD 3.42Å; P332-L334 HydrophobicContact CB-CD2 4.49Å; P332-L334 HydrophobicContact CB-CG 3.97Å; P332-L334 HydrophobicContact CG-CD1 4.49Å; P332-L334 HydrophobicContact CG-CG 3.96Å; P332-L334 PolarHBondContact O-N 3.47Å; P332-W351 HydrophobicContact CB-CB 4.22Å; P332-W351 HydrophobicContact CB-CD2 3.7Å; P332-W351 HydrophobicContact CB-CE3 4.16Å; P332-W351 HydrophobicContact CB-CG 3.74Å; P332-W351 HydrophobicContact CG-CD2 3.74Å; P332-W351 HydrophobicContact CG-CE3 3.73Å; P332-W351 HydrophobicContact CG-CG 4.32Å; P332-W351 HydrophobicContact CG-CH2 4.1Å; P332-W351 HydrophobicContact CG-CZ2 4.15Å; P332-W351 HydrophobicContact CG-CZ3 3.91Å | ||
| 333 | M | 97.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | trans | 54.9 | 25.5 | 180 | -59.3 | 174 | 54.9 | 0 | 0 | 113.8 | L258 K305 V308 D331 S335 L336 I337 | L258-M333 HydrophobicContact CD1-CB 4.26Å; L258-M333 HydrophobicContact CD1-CG 4.1Å; L258-M333 HydrophobicContact CD1-SD 3.89Å; K305-M333 HydrophobicContact CB-CE 3.94Å; K305-M333 HydrophobicContact CG-CE 3.84Å; V308-M333 HydrophobicContact CB-CE 4.01Å; V308-M333 HydrophobicContact CG1-CE 3.87Å; V308-M333 HydrophobicContact CG1-SD 4.18Å; V308-M333 HydrophobicContact CG2-CE 4.4Å; V308-M333 HydrophobicContact CG2-SD 4.38Å; D331-M333 PolarHBondContact O-N 2.86Å; D331-M333 PolarHBondContact OD1-N 2.93Å; M333-S335 PolarHBondContact O-N 3.18Å; M333-L336 HydrophobicContact CE-CD2 3.73Å; M333-L336 PolarHBondContact O-N 3.19Å; M333-L336 VanDerWaalsContact O-N 3.16Å; M333-I337 HydrophobicContact CB-CD1 4.13Å; M333-I337 HydrophobicContact CB-CG1 4.37Å; M333-I337 WeakPolarHBondContact O-CG1 3.45Å; M333-I337 PolarHBondContact O-N 3.15Å | ||
| 334 | L | 97 | Very high | 96.6 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.8 | -44.7 | -170.1 | -79.2 | -172.5 | 0 | 0 | 0 | 113.6 | P332 L336 I337 R338 V349 W351 | P332-L334 HydrophobicContact CB-CD2 4.49Å; P332-L334 HydrophobicContact CB-CG 3.97Å; P332-L334 HydrophobicContact CG-CD1 4.49Å; P332-L334 HydrophobicContact CG-CG 3.96Å; P332-L334 PolarHBondContact O-N 3.47Å; L334-L336 VanDerWaalsContact C-N 3.32Å; L334-L336 PolarHBondContact O-N 3.29Å; L334-I337 PolarHBondContact O-N 3.15Å; L334-R338 VanDerWaalsContact O-CB 3.26Å; L334-R338 WeakPolarHBondContact O-CB 3.38Å; L334-R338 VanDerWaalsContact O-CG 3.22Å; L334-R338 WeakPolarHBondContact O-CG 3.26Å; L334-R338 PolarHBondContact O-N 3.26Å; L334-V349 HydrophobicContact CD2-CG1 3.92Å; L334-W351 HydrophobicContact CD1-CB 4.03Å; L334-W351 HydrophobicContact CD1-CD2 4.39Å; L334-W351 HydrophobicContact CD1-CE3 3.65Å; L334-W351 HydrophobicContact CD1-CZ3 4.49Å; L334-W351 HydrophobicContact CD2-CB 3.76Å; L334-W351 HydrophobicContact CG-CB 4.11Å; L334-W351 HydrophobicContact CG-CE3 4.36Å |
| 335 | S | 96.8 | Very high | 96.2 | Very high | 99 Ų | 99 | 58.3 Ų | 58.3 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | -178.5 | 56 | 0 | 0 | 0 | 0 | 111.2 | M333 R339 | M333-S335 PolarHBondContact O-N 3.18Å; S335-R339 VanDerWaalsContact O-CB 3.32Å; S335-R339 WeakPolarHBondContact O-CB 3.25Å; S335-R339 PolarHBondContact O-N 3.47Å |
| 336 | L | 97.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 59 Ų | 59 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -47 | 179.5 | -174.1 | 64.6 | 0 | 0 | 0 | 111.3 | K305 L309 M333 L334 R339 H340 | K305-L336 HydrophobicContact CB-CD2 3.85Å; K305-L336 HydrophobicContact CD-CD2 4.17Å; K305-L336 HydrophobicContact CG-CD2 4.32Å; L309-L336 HydrophobicContact CD1-CD1 4.09Å; L309-L336 HydrophobicContact CD1-CD2 3.89Å; L309-L336 HydrophobicContact CD1-CG 3.82Å; L309-L336 HydrophobicContact CD2-CD2 4.44Å; L309-L336 HydrophobicContact CD2-CG 4.14Å; L309-L336 HydrophobicContact CG-CD2 4.21Å; L309-L336 HydrophobicContact CG-CG 4.29Å; M333-L336 HydrophobicContact CE-CD2 3.73Å; M333-L336 PolarHBondContact O-N 3.19Å; M333-L336 VanDerWaalsContact O-N 3.16Å; L334-L336 VanDerWaalsContact C-N 3.32Å; L334-L336 PolarHBondContact O-N 3.29Å; L336-R339 VanDerWaalsContact CD1-NH2 3.3Å; L336-R339 PolarHBondContact O-N 3.45Å; L336-H340 WeakPolarHBondContact O-CB 3.38Å; L336-H340 PolarHBondContact O-N 2.83Å |
| 337 | I | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 178.8 | -63.4 | 168 | 0 | 0 | 0 | 110.1 | L309 I312 I324 V326 M333 L334 R339 H340 F341 V349 | L309-I337 HydrophobicContact CD2-CG1 4.11Å; I312-I337 HydrophobicContact CD1-CD1 4.01Å; I312-I337 HydrophobicContact CD1-CG1 4.29Å; I324-I337 HydrophobicContact CD1-CG2 3.92Å; I324-I337 HydrophobicContact CG2-CG2 4.39Å; V326-I337 HydrophobicContact CG2-CD1 3.85Å; M333-I337 HydrophobicContact CB-CD1 4.13Å; M333-I337 HydrophobicContact CB-CG1 4.37Å; M333-I337 WeakPolarHBondContact O-CG1 3.45Å; M333-I337 PolarHBondContact O-N 3.15Å; L334-I337 PolarHBondContact O-N 3.15Å; I337-R339 VanDerWaalsContact C-N 3.34Å; I337-R339 PolarHBondContact O-N 3.39Å; I337-H340 PolarHBondContact O-N 3.49Å; I337-F341 HydrophobicContact CG2-CD2 3.81Å; I337-F341 HydrophobicContact CG2-CE2 4.12Å; I337-F341 VanDerWaalsContact O-CD2 3.28Å; I337-F341 WeakPolarHBondContact O-CD2 3.26Å; I337-F341 PolarHBondContact O-N 3.41Å; I337-V349 HydrophobicContact CB-CG1 4.15Å; I337-V349 HydrophobicContact CG2-CG1 3.59Å; I337-V349 HydrophobicContact CG2-CG2 4.11Å |
| 338 | R | 98.1 | Very high | 96.1 | Very high | 131 Ų | 131 | 70.8 Ų | 70.8 | 49% | 0.494 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 178.9 | -76.6 | 172.5 | 179.3 | 169.4 | 0.8 | 112.3 | L334 F341 S342 V349 | L334-R338 VanDerWaalsContact O-CB 3.26Å; L334-R338 WeakPolarHBondContact O-CB 3.38Å; L334-R338 VanDerWaalsContact O-CG 3.22Å; L334-R338 WeakPolarHBondContact O-CG 3.26Å; L334-R338 PolarHBondContact O-N 3.26Å; R338-F341 PolarHBondContact O-N 2.83Å; R338-S342 PolarHBondContact O-N 2.84Å; R338-V349 HydrophobicContact CG-CB 3.63Å; R338-V349 HydrophobicContact CG-CG1 4.05Å; R338-V349 HydrophobicContact CG-CG2 3.93Å; R338-V349 PolarHBondContact NE-O 2.79Å; R338-V349 PolarHBondContact NH2-O 3.05Å |
| 339 | R | 97.7 | Very high | 96.1 | Very high | 178 Ų | 178 | 70.4 Ų | 70.4 | 67% | 0.672 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.3 | -46.6 | 177.4 | -177.2 | 174.3 | 61.3 | 175.9 | 0.5 | 111.4 | S335 L336 I337 F341 S342 | S335-R339 VanDerWaalsContact O-CB 3.32Å; S335-R339 WeakPolarHBondContact O-CB 3.25Å; S335-R339 PolarHBondContact O-N 3.47Å; L336-R339 VanDerWaalsContact CD1-NH2 3.3Å; L336-R339 PolarHBondContact O-N 3.45Å; I337-R339 VanDerWaalsContact C-N 3.34Å; I337-R339 PolarHBondContact O-N 3.39Å; R339-F341 VanDerWaalsContact C-N 3.3Å; R339-F341 PolarHBondContact O-N 2.99Å; R339-S342 WeakPolarHBondContact O-CB 3.3Å; R339-S342 PolarHBondContact O-N 3.22Å; R339-S342 PolarHBondContact O-OG 2.92Å |
| 340 | H | 98 | Very high | 96.5 | Very high | 88 Ų | 88 | 68.5 Ų | 68.5 | 41% | 0.407 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -34.2 | -179.2 | -168.1 | 83.3 | 0 | 0 | 0 | 113.3 | L309 S313 L336 I337 | L309-H340 HydrophobicContact CD1-CB 4.39Å; L309-H340 HydrophobicContact CD2-CB 3.84Å; S313-H340 PolarHBondContact OG-CD2 3.1Å; S313-H340 PolarHBondContact OG-NE2 3.18Å; L336-H340 WeakPolarHBondContact O-CB 3.38Å; L336-H340 PolarHBondContact O-N 2.83Å; I337-H340 PolarHBondContact O-N 3.49Å |
| 341 | F | 97.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -101.3 | 6 | -178 | -70.9 | -78.2 | 0 | 0 | 0 | 115 | I312 S313 V316 I324 I337 R338 R339 N343 T344 V346 | I312-F341 HydrophobicContact CB-CE2 4.25Å; I312-F341 HydrophobicContact CB-CZ 4.17Å; I312-F341 HydrophobicContact CG2-CE2 3.58Å; I312-F341 HydrophobicContact CG2-CZ 3.57Å; S313-F341 WeakPolarHBondContact OG-CZ 3.31Å; V316-F341 HydrophobicContact CB-CE1 4.05Å; V316-F341 HydrophobicContact CG1-CD1 4.45Å; V316-F341 HydrophobicContact CG1-CE1 4.11Å; V316-F341 HydrophobicContact CG2-CE1 3.87Å; V316-F341 HydrophobicContact CG2-CZ 4.15Å; I324-F341 HydrophobicContact CD1-CD1 4.21Å; I324-F341 HydrophobicContact CD1-CD2 3.45Å; I324-F341 VanDerWaalsContact CD1-CD2 3.45Å; I324-F341 HydrophobicContact CD1-CE1 4.34Å; I324-F341 HydrophobicContact CD1-CE2 3.62Å; I324-F341 HydrophobicContact CD1-CG 3.79Å; I324-F341 HydrophobicContact CD1-CZ 4.07Å; I337-F341 HydrophobicContact CG2-CD2 3.81Å; I337-F341 HydrophobicContact CG2-CE2 4.12Å; I337-F341 VanDerWaalsContact O-CD2 3.28Å; I337-F341 WeakPolarHBondContact O-CD2 3.26Å; I337-F341 PolarHBondContact O-N 3.41Å; R338-F341 PolarHBondContact O-N 2.83Å; R339-F341 VanDerWaalsContact C-N 3.3Å; R339-F341 PolarHBondContact O-N 2.99Å; F341-N343 VanDerWaalsContact C-N 3.28Å; F341-N343 PolarHBondContact O-N 3.26Å; F341-T344 HydrophobicContact CD1-CG2 4.04Å; F341-T344 PolarHBondContact O-N 3.1Å; F341-T344 VanDerWaalsContact O-N 3.15Å; F341-T344 PolarHBondContact O-OG1 3.2Å; F341-V346 HydrophobicContact CB-CB 4.18Å; F341-V346 HydrophobicContact CB-CG2 4.4Å; F341-V346 HydrophobicContact CD1-CG2 3.91Å; F341-V346 HydrophobicContact CG-CG2 4.32Å |
| 342 | S | 94.7 | Very high | 96.5 | Very high | 81 Ų | 81 | 68.2 Ų | 68.2 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -38.1 | -175.6 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | R338 R339 | R338-S342 PolarHBondContact O-N 2.84Å; R339-S342 WeakPolarHBondContact O-CB 3.3Å; R339-S342 PolarHBondContact O-N 3.22Å; R339-S342 PolarHBondContact O-OG 2.92Å |
| 343 | N | 93.2 | Very high | 96.1 | Very high | 161 Ų | 161 | 70.1 Ų | 70.1 | 86% | 0.861 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 35.8 | -179 | -65.4 | -24.1 | 0 | 0 | 0 | 112.8 | F341 | F341-N343 VanDerWaalsContact C-N 3.28Å; F341-N343 PolarHBondContact O-N 3.26Å |
| 344 | T | 94.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 76.3 Ų | 76.3 | 36% | 0.356 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -124.7 | -177.4 | -177.3 | 74.2 | 0 | 0 | 0 | 0 | 112.6 | F341 V346 | F341-T344 HydrophobicContact CD1-CG2 4.04Å; F341-T344 PolarHBondContact O-N 3.1Å; F341-T344 VanDerWaalsContact O-N 3.15Å; F341-T344 PolarHBondContact O-OG1 3.2Å; T344-V346 PolarHBondContact O-N 2.83Å; T344-V346 PolarHBondContact OG1-N 2.71Å |
| 345 | T | 92.2 | Very high | 95.2 | Very high | 84 Ų | 84 | 76.7 Ų | 76.7 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -70.3 | -13 | 175.2 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | A321 K347 | A321-T345 PolarHBondContact O-OG1 2.86Å; T345-K347 PolarHBondContact O-N 3.12Å |
| 346 | V | 97.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 77 Ų | 77 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | trans | -69.4 | 116.7 | 179.7 | -180 | 0 | 0 | 0 | 0 | 109.5 | V316 K322 I324 F341 T344 R348 V349 | V316-V346 HydrophobicContact CG1-CG2 3.55Å; V316-V346 HydrophobicContact CG2-CG2 4.1Å; K322-V346 CarbonylContact O-C 3.57Å; I324-V346 HydrophobicContact CD1-CG1 3.95Å; I324-V346 HydrophobicContact CD1-CG2 4.15Å; I324-V346 HydrophobicContact CG1-CG1 3.98Å; I324-V346 HydrophobicContact CG1-CG2 4.36Å; F341-V346 HydrophobicContact CB-CB 4.18Å; F341-V346 HydrophobicContact CB-CG2 4.4Å; F341-V346 HydrophobicContact CD1-CG2 3.91Å; F341-V346 HydrophobicContact CG-CG2 4.32Å; T344-V346 PolarHBondContact O-N 2.83Å; T344-V346 PolarHBondContact OG1-N 2.71Å; V346-R348 WeakPolarHBondContact CG1-O 3.37Å; V346-V349 HydrophobicContact CG1-CG2 4.1Å | ||
| 347 | K | 96.3 | Very high | 94.6 | Very high | 150 Ų | 150 | 78.4 Ų | 78.4 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | trans | -91.5 | -26.8 | 179.8 | -58.2 | -54 | -178 | -175.1 | 0 | 113 | K322 T345 | K322-K347 PolarHBondContact O-N 2.85Å; T345-K347 PolarHBondContact O-N 3.12Å | ||
| 348 | R | 96.7 | Very high | 94.3 | Very high | 99 Ų | 99 | 79.1 Ų | 79.1 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.3 | -176.4 | -62.8 | -172.1 | 174.8 | -176.9 | 0.1 | 111.8 | R247 W248 K322 S323 I324 V346 V350 | R247-R348 PolarHBondContact O-NH1 3.13Å; W248-R348 WeakPolarHBondContact O-CD 3.36Å; W248-R348 PolarHBondContact O-NH1 2.89Å; K322-R348 PolarHBondContact O-N 3.3Å; S323-R348 CarbonylContact C-O 3.59Å; S323-R348 VanDerWaalsContact CA-O 3.23Å; S323-R348 WeakPolarHBondContact CA-O 3.11Å; I324-R348 PolarHBondContact N-O 2.88Å; V346-R348 WeakPolarHBondContact CG1-O 3.37Å; R348-V350 HydrophobicContact CB-CG2 3.91Å |
| 349 | V | 97.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 74.2 Ų | 74.2 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 109.8 | 166.5 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | I324 L334 I337 R338 V346 | I324-V349 HydrophobicContact CB-CG1 4.42Å; I324-V349 HydrophobicContact CB-CG2 4.4Å; I324-V349 HydrophobicContact CD1-CG2 4.3Å; I324-V349 CarbonylContact O-C 3.58Å; I324-V349 WeakPolarHBondContact O-CA 3.29Å; L334-V349 HydrophobicContact CD2-CG1 3.92Å; I337-V349 HydrophobicContact CB-CG1 4.15Å; I337-V349 HydrophobicContact CG2-CG1 3.59Å; I337-V349 HydrophobicContact CG2-CG2 4.11Å; R338-V349 HydrophobicContact CG-CB 3.63Å; R338-V349 HydrophobicContact CG-CG1 4.05Å; R338-V349 HydrophobicContact CG-CG2 3.93Å; R338-V349 PolarHBondContact NE-O 2.79Å; R338-V349 PolarHBondContact NH2-O 3.05Å; V346-V349 HydrophobicContact CG1-CG2 4.1Å |
| 350 | V | 97.7 | Very high | 94 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.4 | -164.9 | -175 | 0 | 0 | 0 | 0 | 110.1 | F244 W248 L249 I324 Y325 V326 R348 | F244-V350 HydrophobicContact CE1-CG1 4.36Å; F244-V350 HydrophobicContact CZ-CG1 3.92Å; W248-V350 HydrophobicContact CB-CG1 4.36Å; L249-V350 HydrophobicContact CD2-CB 3.92Å; L249-V350 HydrophobicContact CD2-CG1 4.38Å; L249-V350 HydrophobicContact CD2-CG2 3.8Å; I324-V350 PolarHBondContact O-N 2.97Å; Y325-V350 CarbonylContact C-O 3.59Å; Y325-V350 WeakPolarHBondContact CA-O 3.03Å; Y325-V350 HydrophobicContact CD2-CB 4.3Å; Y325-V350 HydrophobicContact CD2-CG1 4.32Å; V326-V350 PolarHBondContact N-O 3.25Å; R348-V350 HydrophobicContact CB-CG2 3.91Å |
| 351 | W | 96.8 | Very high | 94 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 31% | 0.307 | 32% | 0.32 | S | S | . | . | trans | -144.1 | 133.7 | 165.8 | 162.8 | 65.3 | 0 | 0 | 0 | 106.1 | V326 P332 L334 P353 | V326-W351 HydrophobicContact CB-CB 4.39Å; V326-W351 VanDerWaalsContact O-CD1 3.28Å; P332-W351 HydrophobicContact CB-CB 4.22Å; P332-W351 HydrophobicContact CB-CD2 3.7Å; P332-W351 HydrophobicContact CB-CE3 4.16Å; P332-W351 HydrophobicContact CB-CG 3.74Å; P332-W351 HydrophobicContact CG-CD2 3.74Å; P332-W351 HydrophobicContact CG-CE3 3.73Å; P332-W351 HydrophobicContact CG-CG 4.32Å; P332-W351 HydrophobicContact CG-CH2 4.1Å; P332-W351 HydrophobicContact CG-CZ2 4.15Å; P332-W351 HydrophobicContact CG-CZ3 3.91Å; L334-W351 HydrophobicContact CD1-CB 4.03Å; L334-W351 HydrophobicContact CD1-CD2 4.39Å; L334-W351 HydrophobicContact CD1-CE3 3.65Å; L334-W351 HydrophobicContact CD1-CZ3 4.49Å; L334-W351 HydrophobicContact CD2-CB 3.76Å; L334-W351 HydrophobicContact CG-CB 4.11Å; L334-W351 HydrophobicContact CG-CE3 4.36Å; W351-P353 HydrophobicContact CH2-CB 3.89Å; W351-P353 HydrophobicContact CZ2-CB 4.08Å; W351-P353 HydrophobicContact CZ3-CB 4.16Å | ||
| 352 | E | 94 | Very high | 94 | Very high | 76 Ų | 76 | 61.7 Ų | 61.7 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | trans | -104.8 | 109.1 | 178.8 | -177.2 | 61.5 | -149.5 | 0 | 0 | 109.2 | F244 N354 R355 | F244-E352 HydrophobicContact CE2-CB 3.87Å; F244-E352 HydrophobicContact CE2-CG 4.19Å; F244-E352 HydrophobicContact CZ-CB 4.08Å; E352-N354 PolarHBondContact O-N 3.49Å; E352-R355 HydrophobicContact CB-CB 4.02Å; E352-R355 HydrophobicContact CG-CB 4.02Å; E352-R355 PolarHBondContact O-N 3.06Å | ||
| 353 | P | 87.7 | Confident | 94.2 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 138 | 175.3 | 27.1 | -32.8 | 0 | 0 | 0 | 110.2 | W351 R355 | W351-P353 HydrophobicContact CH2-CB 3.89Å; W351-P353 HydrophobicContact CZ2-CB 4.08Å; W351-P353 HydrophobicContact CZ3-CB 4.16Å; P353-R355 VanDerWaalsContact C-N 3.26Å; P353-R355 PolarHBondContact O-N 3.26Å |
| 354 | N | 84.8 | Confident | 94.4 | Very high | 144 Ų | 144 | 50.2 Ų | 50.2 | 77% | 0.77 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 10.1 | -179.3 | -39 | -66.6 | 0 | 0 | 0 | 116.1 | E352 | E352-N354 PolarHBondContact O-N 3.49Š|
| 355 | R | 90.2 | Very high | 94.5 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | trans | -59.4 | 139.3 | 166.5 | -172.9 | 164.1 | 179.1 | 85.2 | -5.1 | 110 | Y325 E352 P353 E359 D360 | Y325-R355 WeakPolarHBondContact OH-CD 3.34Å; E352-R355 HydrophobicContact CB-CB 4.02Å; E352-R355 HydrophobicContact CG-CB 4.02Å; E352-R355 PolarHBondContact O-N 3.06Å; P353-R355 VanDerWaalsContact C-N 3.26Å; P353-R355 PolarHBondContact O-N 3.26Å; R355-E359 HydrophobicContact CG-CB 3.98Å; R355-E359 IonicContact CZ-OE2 2.77Å; R355-E359 IonicContact NH1-OE2 3.36Å; R355-E359 PolarHBondContact NH1-OE2 2.85Å; R355-E359 VanDerWaalsContact NH1-OE2 3.13Å; R355-E359 PolarHBondContact NH2-O 3.46Å; R355-D360 WeakPolarHBondContact CD-OD1 3.36Å; R355-D360 IonicContact NE-OD1 3.13Å | ||
| 356 | K | 90.1 | Very high | 94.6 | Very high | 104 Ų | 104 | 45.9 Ų | 45.9 | 45% | 0.452 | 22% | 0.218 | S | C | . | . | trans | -71.2 | 143.3 | -176.7 | -59.2 | -179.4 | -171.3 | 164.7 | 0 | 110.5 | E358 E359 D360 | K356-E358 VanDerWaalsContact C-N 3.27Å; K356-E358 HydrophobicContact CB-CG 4.16Å; K356-E358 VanDerWaalsContact CD-OE1 3.25Å; K356-E358 WeakPolarHBondContact CD-OE1 3.15Å; K356-E358 PolarHBondContact O-N 3.08Å; K356-E359 HydrophobicContact CB-CG 4.14Å; K356-E359 WeakPolarHBondContact O-CB 3.49Å; K356-E359 PolarHBondContact O-N 3.31Å; K356-D360 PolarHBondContact O-N 3.17Å; K356-D360 VanDerWaalsContact O-N 3.15Å | ||
| 357 | P | 91.5 | Very high | 94.6 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 41% | 0.409 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.9 | -38.4 | -179 | -25.3 | 34.2 | 0 | 0 | 0 | 113.7 | E359 D360 L361 Y378 | P357-E359 VanDerWaalsContact C-N 3.31Å; P357-E359 PolarHBondContact O-N 2.95Å; P357-D360 PolarHBondContact O-N 2.76Å; P357-L361 WeakPolarHBondContact O-CG 2.93Å; P357-L361 PolarHBondContact O-N 3.48Å; P357-Y378 HydrophobicContact CB-CE2 4Å; P357-Y378 PolarHBondContact O-OH 3.12Å |
| 358 | E | 92.7 | Very high | 94.6 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -35.3 | 175.8 | 59.1 | -90.6 | -153.6 | 0 | 0 | 113.3 | L60 L112 W233 I237 K356 L361 A362 | L60-E358 HydrophobicContact CD2-CB 4.13Å; L112-E358 HydrophobicContact CD1-CB 4.35Å; L112-E358 HydrophobicContact CD2-CB 3.92Å; L112-E358 HydrophobicContact CD2-CG 3.7Å; W233-E358 HydrophobicContact CH2-CB 4.11Å; W233-E358 WeakPolarHBondContact CH2-O 3.44Å; W233-E358 HydrophobicContact CZ3-CB 3.85Å; I237-E358 HydrophobicContact CD1-CB 4.28Å; I237-E358 HydrophobicContact CD1-CG 4.06Å; K356-E358 VanDerWaalsContact C-N 3.27Å; K356-E358 HydrophobicContact CB-CG 4.16Å; K356-E358 VanDerWaalsContact CD-OE1 3.25Å; K356-E358 WeakPolarHBondContact CD-OE1 3.15Å; K356-E358 PolarHBondContact O-N 3.08Å; E358-L361 PolarHBondContact O-N 3.24Å; E358-A362 WeakPolarHBondContact O-CB 3.08Å; E358-A362 PolarHBondContact O-N 3.02Å |
| 359 | E | 94.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.8 | -30.2 | 178.7 | -65.5 | 176.9 | -169.7 | 0 | 0 | 111.7 | R355 K356 P357 L363 | R355-E359 HydrophobicContact CG-CB 3.98Å; R355-E359 IonicContact CZ-OE2 2.77Å; R355-E359 IonicContact NH1-OE2 3.36Å; R355-E359 PolarHBondContact NH1-OE2 2.85Å; R355-E359 VanDerWaalsContact NH1-OE2 3.13Å; R355-E359 PolarHBondContact NH2-O 3.46Å; K356-E359 HydrophobicContact CB-CG 4.14Å; K356-E359 WeakPolarHBondContact O-CB 3.49Å; K356-E359 PolarHBondContact O-N 3.31Å; P357-E359 VanDerWaalsContact C-N 3.31Å; P357-E359 PolarHBondContact O-N 2.95Å; E359-L363 VanDerWaalsContact O-CB 3.28Å; E359-L363 WeakPolarHBondContact O-CB 3.2Å; E359-L363 PolarHBondContact O-N 3.37Å; E359-L363 VanDerWaalsContact O-N 3.09Å |
| 360 | D | 96.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.1 | -43.7 | 171.2 | -93.2 | -0.2 | 0 | 0 | 0 | 112.1 | Y325 S327 R355 K356 P357 L363 L364 Y378 | Y325-D360 PolarHBondContact OH-OD1 3.05Å; S327-D360 VanDerWaalsContact CB-OD2 3.31Å; S327-D360 WeakPolarHBondContact CB-OD2 3.32Å; S327-D360 WeakPolarHBondContact OG-CB 3.13Å; S327-D360 VanDerWaalsContact OG-CG 3.28Å; S327-D360 PolarHBondContact OG-OD2 3.35Å; R355-D360 WeakPolarHBondContact CD-OD1 3.36Å; R355-D360 IonicContact NE-OD1 3.13Å; K356-D360 PolarHBondContact O-N 3.17Å; K356-D360 VanDerWaalsContact O-N 3.15Å; P357-D360 PolarHBondContact O-N 2.76Å; D360-L363 PolarHBondContact O-N 3.01Å; D360-L364 WeakPolarHBondContact O-CB 3.42Å; D360-L364 VanDerWaalsContact O-CG 3.32Å; D360-L364 WeakPolarHBondContact O-CG 3.46Å; D360-L364 PolarHBondContact O-N 3.46Å; D360-Y378 WeakPolarHBondContact CB-OH 3.04Å |
| 361 | L | 97.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.4 | -51.3 | 172.9 | -75.9 | 172.9 | 0 | 0 | 0 | 110.6 | L60 I64 W233 P357 E358 L363 L364 G365 Y378 A381 V382 | L60-L361 HydrophobicContact CD2-CD1 3.61Å; L60-L361 HydrophobicContact CG-CD1 4.14Å; I64-L361 HydrophobicContact CD1-CD1 4.42Å; W233-L361 HydrophobicContact CH2-CB 3.87Å; W233-L361 HydrophobicContact CH2-CD1 4.15Å; W233-L361 HydrophobicContact CZ2-CB 3.61Å; W233-L361 HydrophobicContact CZ2-CD1 4.48Å; P357-L361 WeakPolarHBondContact O-CG 2.93Å; P357-L361 PolarHBondContact O-N 3.48Å; E358-L361 PolarHBondContact O-N 3.24Å; L361-L363 VanDerWaalsContact C-N 3.3Å; L361-L363 PolarHBondContact O-N 3.07Å; L361-L364 PolarHBondContact O-N 3.46Å; L361-G365 PolarHBondContact O-N 2.92Å; L361-Y378 HydrophobicContact CD1-CD2 4.09Å; L361-Y378 HydrophobicContact CD1-CE2 3.78Å; L361-Y378 HydrophobicContact CD2-CD1 3.53Å; L361-Y378 HydrophobicContact CD2-CD2 3.66Å; L361-Y378 HydrophobicContact CD2-CE1 3.43Å; L361-Y378 VanDerWaalsContact CD2-CE1 3.43Å; L361-Y378 HydrophobicContact CD2-CE2 3.53Å; L361-Y378 HydrophobicContact CD2-CG 3.67Å; L361-Y378 VanDerWaalsContact CD2-CZ 3.44Å; L361-Y378 WeakPolarHBondContact CD2-O 3.18Å; L361-Y378 HydrophobicContact CG-CD1 4.41Å; L361-Y378 HydrophobicContact CG-CD2 3.93Å; L361-Y378 HydrophobicContact CG-CE1 3.94Å; L361-Y378 HydrophobicContact CG-CE2 3.37Å; L361-Y378 HydrophobicContact CG-CG 4.43Å; L361-Y378 PolarHBondContact N-OH 3.06Å; L361-A381 HydrophobicContact CD2-CB 4.33Å; L361-V382 HydrophobicContact CD2-CG2 3.47Å; L361-V382 VanDerWaalsContact CD2-CG2 3.47Å |
| 362 | A | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W233 I237 T241 E358 G365 R366 | W233-A362 HydrophobicContact CD2-CB 3.83Å; W233-A362 HydrophobicContact CG-CB 4.01Å; W233-A362 HydrophobicContact CZ2-CB 4.14Å; I237-A362 HydrophobicContact CG2-CB 3.47Å; I237-A362 VanDerWaalsContact CG2-CB 3.47Å; T241-A362 WeakPolarHBondContact OG1-CB 3.41Å; E358-A362 WeakPolarHBondContact O-CB 3.08Å; E358-A362 PolarHBondContact O-N 3.02Å; A362-G365 PolarHBondContact O-N 3.39Å; A362-R366 WeakPolarHBondContact O-CG 3.36Å; A362-R366 PolarHBondContact O-N 3.22Å |
| 363 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -50.3 | 176.3 | 180 | 58.4 | 0 | 0 | 0 | 111.7 | T241 F244 I245 L249 Y325 E359 D360 L361 G365 R366 I367 | T241-L363 HydrophobicContact CG2-CB 4.08Å; T241-L363 HydrophobicContact CG2-CD1 4.08Å; F244-L363 HydrophobicContact CD1-CD1 4.43Å; F244-L363 HydrophobicContact CD1-CD2 3.57Å; F244-L363 HydrophobicContact CE1-CD2 3.69Å; I245-L363 HydrophobicContact CD1-CD1 3.71Å; I245-L363 HydrophobicContact CG1-CD1 3.3Å; L249-L363 HydrophobicContact CD1-CD1 4.2Å; Y325-L363 HydrophobicContact CD1-CD2 3.68Å; Y325-L363 HydrophobicContact CD1-CG 4.2Å; Y325-L363 HydrophobicContact CD2-CD2 3.97Å; Y325-L363 HydrophobicContact CE1-CD2 3.41Å; Y325-L363 VanDerWaalsContact CE1-CD2 3.41Å; Y325-L363 HydrophobicContact CE1-CG 4.17Å; Y325-L363 HydrophobicContact CE2-CD2 3.73Å; Y325-L363 HydrophobicContact CG-CD2 3.95Å; Y325-L363 VanDerWaalsContact CZ-CD2 3.45Å; E359-L363 VanDerWaalsContact O-CB 3.28Å; E359-L363 WeakPolarHBondContact O-CB 3.2Å; E359-L363 PolarHBondContact O-N 3.37Å; E359-L363 VanDerWaalsContact O-N 3.09Å; D360-L363 PolarHBondContact O-N 3.01Å; L361-L363 VanDerWaalsContact C-N 3.3Å; L361-L363 PolarHBondContact O-N 3.07Å; L363-G365 PolarHBondContact O-N 2.93Å; L363-R366 PolarHBondContact O-N 2.8Å; L363-I367 HydrophobicContact CD1-CG2 3.72Å; L363-I367 HydrophobicContact CG-CG2 4.18Å; L363-I367 WeakPolarHBondContact O-CG1 3.49Å; L363-I367 WeakPolarHBondContact O-CG2 3.27Å; L363-I367 PolarHBondContact O-N 3.36Å; L363-I367 VanDerWaalsContact O-N 3.09Å |
| 364 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.5 | -31.8 | 176.4 | -69.9 | 174.4 | 0 | 0 | 0 | 112.3 | H257 Y325 D360 L361 R366 I367 Y378 V382 R386 | H257-L364 HydrophobicContact CB-CD1 3.96Å; Y325-L364 HydrophobicContact CD1-CD2 4.27Å; D360-L364 WeakPolarHBondContact O-CB 3.42Å; D360-L364 VanDerWaalsContact O-CG 3.32Å; D360-L364 WeakPolarHBondContact O-CG 3.46Å; D360-L364 PolarHBondContact O-N 3.46Å; L361-L364 PolarHBondContact O-N 3.46Å; L364-R366 PolarHBondContact O-N 2.59Å; L364-I367 HydrophobicContact CD2-CD1 4.46Å; L364-Y378 HydrophobicContact CD1-CE1 4.28Å; L364-V382 HydrophobicContact CB-CB 4.48Å; L364-V382 HydrophobicContact CB-CG1 3.73Å; L364-V382 HydrophobicContact CB-CG2 3.87Å; L364-V382 HydrophobicContact CD1-CG2 4.21Å; L364-R386 PolarHBondContact O-NH1 3.5Å |
| 365 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L361 A362 L363 L391 | L361-G365 PolarHBondContact O-N 2.92Å; A362-G365 PolarHBondContact O-N 3.39Å; L363-G365 PolarHBondContact O-N 2.93Å; G365-L391 VanDerWaalsContact O-CD1 3.23Å; G365-L391 WeakPolarHBondContact O-CD1 3.4Å |
| 366 | R | 94.5 | Very high | 96.3 | Very high | 51 Ų | 51 | 16.2 Ų | 16.2 | 19% | 0.192 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -29.2 | -172.5 | -68.8 | -176 | -156.7 | 173.6 | 12.8 | 116.7 | N238 E242 A362 L363 L364 | N238-R366 PolarHBondContact O-NH1 3.26Å; N238-R366 VanDerWaalsContact O-NH1 3.08Å; N238-R366 PolarHBondContact OD1-NH2 2.87Å; E242-R366 VanDerWaalsContact OE1-CD 3.28Å; E242-R366 WeakPolarHBondContact OE1-CD 3.49Å; E242-R366 IonicContact OE1-CZ 3.55Å; E242-R366 IonicContact OE1-NE 3.76Å; E242-R366 IonicContact OE1-NH1 3.52Å; E242-R366 PolarHBondContact OE1-NH1 2.89Å; A362-R366 WeakPolarHBondContact O-CG 3.36Å; A362-R366 PolarHBondContact O-N 3.22Å; L363-R366 PolarHBondContact O-N 2.8Å; L364-R366 PolarHBondContact O-N 2.59Å |
| 367 | I | 95.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -60.6 | 164 | -179 | 52.3 | 129.6 | 0 | 0 | 0 | 112.7 | V253 L363 L364 L369 A370 R386 | V253-I367 HydrophobicContact CB-CB 4.24Å; V253-I367 HydrophobicContact CB-CG2 4.23Å; V253-I367 HydrophobicContact CG1-CB 4.29Å; V253-I367 HydrophobicContact CG1-CG2 4.02Å; L363-I367 HydrophobicContact CD1-CG2 3.72Å; L363-I367 HydrophobicContact CG-CG2 4.18Å; L363-I367 WeakPolarHBondContact O-CG1 3.49Å; L363-I367 WeakPolarHBondContact O-CG2 3.27Å; L363-I367 PolarHBondContact O-N 3.36Å; L363-I367 VanDerWaalsContact O-N 3.09Å; L364-I367 HydrophobicContact CD2-CD1 4.46Å; I367-L369 WeakPolarHBondContact CD1-O 3.38Å; I367-L369 PolarHBondContact O-N 3.37Å; I367-A370 HydrophobicContact CD1-CB 4.4Å; I367-R386 PolarHBondContact O-NH1 2.71Å; I367-R386 PolarHBondContact O-NH2 3.34Å |
| 368 | D | 96.5 | Very high | 96.9 | Very high | 56 Ų | 56 | 10.1 Ų | 10.1 | 30% | 0.299 | 5% | 0.048 | S | C | . | . | S | Bend | trans | -62.3 | -44.5 | -168.5 | -53.7 | -96.1 | 0 | 0 | 0 | 113.4 | P252 V253 I319 R386 P392 | P252-D368 WeakPolarHBondContact CA-OD2 3.36Å; P252-D368 HydrophobicContact CB-CB 4Å; V253-D368 PolarHBondContact N-OD2 3.08Å; V253-D368 WeakPolarHBondContact O-CB 3.42Å; V253-D368 PolarHBondContact O-N 3.26Å; I319-D368 HydrophobicContact CD1-CB 3.91Å; D368-R386 PolarHBondContact O-NH2 2.92Å; D368-R386 VanDerWaalsContact O-NH2 3.16Å; D368-P392 VanDerWaalsContact O-CD 3.3Å; D368-P392 WeakPolarHBondContact O-CD 3.47Å; D368-P392 WeakPolarHBondContact O-CG 3.47Å |
| 369 | L | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 124.2 | 174.9 | 179.2 | 67.6 | 0 | 0 | 0 | 111.8 | V253 V254 G255 L318 I319 I367 P392 M394 | V253-L369 PolarHBondContact O-N 2.63Å; V254-L369 CarbonylContact C-O 3.54Å; V254-L369 WeakPolarHBondContact CA-O 3.2Å; V254-L369 HydrophobicContact CG2-CB 4.43Å; V254-L369 HydrophobicContact CG2-CD2 4.26Å; G255-L369 PolarHBondContact N-O 3.28Å; L318-L369 HydrophobicContact CD2-CD2 4.27Å; I319-L369 HydrophobicContact CD1-CB 3.73Å; I319-L369 HydrophobicContact CG2-CB 4.17Å; I319-L369 HydrophobicContact CG2-CD2 4.13Å; I367-L369 WeakPolarHBondContact CD1-O 3.38Å; I367-L369 PolarHBondContact O-N 3.37Å; L369-P392 HydrophobicContact CB-CG 4.49Å; L369-P392 HydrophobicContact CD1-CB 3.73Å; L369-P392 HydrophobicContact CD1-CG 3.95Å; L369-M394 HydrophobicContact CD1-CG 4.17Å; L369-M394 HydrophobicContact CD2-SD 4.05Å |
| 370 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G255 I367 L372 V382 P392 S393 M394 | G255-A370 CarbonylContact O-C 3.54Å; G255-A370 WeakPolarHBondContact O-CA 3.08Å; I367-A370 HydrophobicContact CD1-CB 4.4Å; A370-L372 HydrophobicContact CB-CD1 4.48Å; A370-L372 HydrophobicContact CB-CD2 4.04Å; A370-L372 HydrophobicContact CB-CG 4.12Å; A370-V382 HydrophobicContact CB-CG1 4.44Å; A370-P392 PolarHBondContact N-O 3.46Å; A370-S393 CarbonylContact O-C 3.36Å; A370-S393 WeakPolarHBondContact O-CA 3.38Å; A370-M394 PolarHBondContact O-N 3.43Å |
| 371 | I | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.4 | 169.7 | -55.7 | 172.8 | 0 | 0 | 0 | 107.5 | V254 G255 V256 H257 T311 I312 M394 F396 | V254-I371 HydrophobicContact CG1-CD1 3.55Å; V254-I371 HydrophobicContact CG1-CG1 4.05Å; G255-I371 PolarHBondContact O-N 3.19Å; V256-I371 WeakPolarHBondContact CA-O 3.23Å; V256-I371 HydrophobicContact CG2-CD1 4.5Å; H257-I371 PolarHBondContact N-O 2.8Å; T311-I371 HydrophobicContact CG2-CD1 4.33Å; T311-I371 HydrophobicContact CG2-CG2 3.66Å; I312-I371 HydrophobicContact CB-CD1 4.41Å; I312-I371 HydrophobicContact CG1-CD1 4.12Å; I371-M394 CarbonylContact C-O 3.45Å; I371-M394 WeakPolarHBondContact CA-O 3.3Å; I371-M394 HydrophobicContact CG1-CB 4.18Å; I371-F396 HydrophobicContact CB-CZ 4.47Å; I371-F396 HydrophobicContact CG2-CD1 3.93Å; I371-F396 HydrophobicContact CG2-CD2 4.19Å; I371-F396 HydrophobicContact CG2-CE1 3.56Å; I371-F396 HydrophobicContact CG2-CE2 3.86Å; I371-F396 HydrophobicContact CG2-CG 4.25Å; I371-F396 HydrophobicContact CG2-CZ 3.57Å |
| 372 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 163.8 | -163.5 | -61.9 | 179.8 | 0 | 0 | 0 | 112 | H257 A370 V382 K383 M394 F395 F396 | H257-L372 HydrophobicContact CB-CD2 4.06Å; A370-L372 HydrophobicContact CB-CD1 4.48Å; A370-L372 HydrophobicContact CB-CD2 4.04Å; A370-L372 HydrophobicContact CB-CG 4.12Å; L372-V382 HydrophobicContact CD1-CB 4.26Å; L372-V382 HydrophobicContact CD1-CG1 4.12Å; L372-V382 HydrophobicContact CD2-CB 4.19Å; L372-V382 HydrophobicContact CD2-CG1 3.98Å; L372-K383 HydrophobicContact CD1-CB 3.96Å; L372-M394 PolarHBondContact N-O 2.92Å; L372-F395 HydrophobicContact CB-CD1 3.54Å; L372-F395 HydrophobicContact CB-CE1 3.49Å; L372-F395 VanDerWaalsContact CB-CE1 3.49Å; L372-F395 HydrophobicContact CB-CG 4.38Å; L372-F395 HydrophobicContact CB-CZ 4.31Å; L372-F395 HydrophobicContact CD1-CE1 4.12Å; L372-F395 HydrophobicContact CD1-CZ 4.23Å; L372-F395 HydrophobicContact CG-CE1 4.45Å; L372-F395 CarbonylContact O-C 3.48Å; L372-F395 WeakPolarHBondContact O-CA 3.15Å; L372-F395 WeakPolarHBondContact O-CD1 3.21Å; L372-F396 WeakPolarHBondContact O-CD2 3.33Å; L372-F396 PolarHBondContact O-N 2.74Å |
| 373 | N | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | trans | -93.4 | 126 | 172.3 | -177.2 | -71.7 | 0 | 0 | 0 | 110.6 | R259 F264 C301 V375 S376 S379 | R259-N373 HydrophobicContact CB-CB 4.38Å; F264-N373 WeakPolarHBondContact CZ-OD1 3.4Å; C301-N373 PolarHBondContact O-ND2 2.84Å; N373-V375 VanDerWaalsContact C-N 3.34Å; N373-V375 PolarHBondContact O-N 3.31Å; N373-V375 PolarHBondContact OD1-N 3.44Å; N373-S376 PolarHBondContact O-N 3.2Å; N373-S376 PolarHBondContact OD1-N 2.89Å; N373-S376 VanDerWaalsContact OD1-N 3.07Å; N373-S379 WeakPolarHBondContact CA-OG 3.12Å; N373-S379 PolarHBondContact N-OG 2.04Å; N373-S379 WeakPolarHBondContact O-CB 3.31Å; N373-S379 PolarHBondContact O-OG 2.82Å | ||
| 374 | C | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -62.3 | -38.1 | -175.6 | -72.4 | 0 | 0 | 0 | 0 | 113.6 | S280 S281 Q283 C284 M300 F395 | S280-C374 CarbonylContact C-O 3.54Å; S281-C374 WeakPolarHBondContact CA-O 3.24Å; S281-C374 PolarHBondContact N-O 2.97Å; Q283-C374 PolarHBondContact NE2-O 3.26Å; C284-C374 HydrophobicContact CB-CB 3.82Å; C284-C374 WeakPolarHBondContact CB-SG 3.23Å; C284-C374 WeakPolarHBondContact SG-CA 3.27Å; C284-C374 WeakPolarHBondContact SG-CB 3.04Å; C284-C374 CovalentContact SG-SG 2.02Å; C284-C374 PolarHBondContact SG-SG 2.67Å; M300-C374 HydrophobicContact CB-CB 3.99Å; M300-C374 HydrophobicContact CE-CB 3.91Å; M300-C374 VanDerWaalsContact CE-SG 3.52Å; C374-F395 HydrophobicContact CB-CD1 4.45Å; C374-F395 WeakPolarHBondContact SG-CB 3.43Å |
| 375 | V | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -81.7 | -27.9 | -172.5 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | F264 L278 F279 S280 V296 C301 N373 T377 | F264-V375 HydrophobicContact CE2-CG1 4.07Å; F264-V375 HydrophobicContact CZ-CB 3.85Å; F264-V375 HydrophobicContact CZ-CG1 3.78Å; L278-V375 HydrophobicContact CB-CG1 4.27Å; L278-V375 HydrophobicContact CD2-CG1 3.89Å; L278-V375 HydrophobicContact CG-CG1 3.8Å; F279-V375 HydrophobicContact CB-CG1 4.22Å; F279-V375 VanDerWaalsContact CB-O 3.25Å; F279-V375 WeakPolarHBondContact CB-O 3.24Å; F279-V375 HydrophobicContact CD2-CG1 3.7Å; F279-V375 HydrophobicContact CG-CG1 4.38Å; S280-V375 PolarHBondContact N-O 2.98Å; V296-V375 HydrophobicContact CG2-CG2 3.47Å; V296-V375 VanDerWaalsContact CG2-CG2 3.47Å; C301-V375 HydrophobicContact CB-CG2 3.97Å; N373-V375 VanDerWaalsContact C-N 3.34Å; N373-V375 PolarHBondContact O-N 3.31Å; N373-V375 PolarHBondContact OD1-N 3.44Å; V375-T377 PolarHBondContact O-N 3.42Å |
| 376 | S | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 9.6 Ų | 9.6 | 4% | 0.035 | 5% | 0.045 | C | C | . | . | trans | -71.6 | 128.5 | -175 | -171.5 | 0 | 0 | 0 | 0 | 113.6 | H257 Q283 N373 Y378 S379 A380 | H257-S376 PolarHBondContact CE1-OG 2.65Å; Q283-S376 PolarHBondContact NE2-O 3.14Å; N373-S376 PolarHBondContact O-N 3.2Å; N373-S376 PolarHBondContact OD1-N 2.89Å; N373-S376 VanDerWaalsContact OD1-N 3.07Å; S376-Y378 PolarHBondContact O-N 2.9Å; S376-Y378 WeakPolarHBondContact OG-CB 3.28Å; S376-Y378 PolarHBondContact OG-N 2.82Å; S376-S379 WeakPolarHBondContact O-CB 3.36Å; S376-S379 PolarHBondContact O-N 2.77Å; S376-A380 PolarHBondContact O-N 2.74Å | ||
| 377 | T | 97 | Very high | 96.7 | Very high | 11 Ų | 11 | 8.7 Ų | 8.7 | 7% | 0.067 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -68.5 | -24 | 172.1 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | N62 E65 F218 F279 S280 V375 A380 A381 | N62-T377 PolarHBondContact N-OG1 3.09Å; E65-T377 HydrophobicContact CG-CG2 4.15Å; F218-T377 HydrophobicContact CE2-CG2 3.42Å; F218-T377 VanDerWaalsContact CE2-CG2 3.42Å; F218-T377 HydrophobicContact CZ-CG2 3.53Å; F279-T377 HydrophobicContact CB-CG2 4.34Å; S280-T377 WeakPolarHBondContact OG-CG2 3.25Å; V375-T377 PolarHBondContact O-N 3.42Å; T377-A380 WeakPolarHBondContact O-CB 3.18Å; T377-A380 PolarHBondContact O-N 3.01Å; T377-A381 PolarHBondContact O-N 3.15Å |
| 378 | Y | 97 | Very high | 96.4 | Very high | 29 Ų | 29 | 11 Ų | 11 | 11% | 0.114 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 171.4 | -173.5 | -85.3 | 0 | 0 | 0 | 111 | H257 P357 D360 L361 L364 S376 A380 A381 V382 | H257-Y378 AromaticContact CD2-CD1 3.86Å; H257-Y378 AromaticContact CD2-CE1 3.95Å; H257-Y378 AromaticContact CE1-CD1 3.41Å; H257-Y378 VanDerWaalsContact CE1-CD1 3.41Å; H257-Y378 WeakPolarHBondContact CE1-CD1 3.49Å; H257-Y378 AromaticContact CE1-CG 3.99Å; H257-Y378 AromaticContact ND1-CD1 3.76Å; H257-Y378 AromaticContact NE2-CD1 3.48Å; H257-Y378 WeakPolarHBondContact NE2-CD1 3.46Å; H257-Y378 AromaticContact NE2-CE1 3.94Å; P357-Y378 HydrophobicContact CB-CE2 4Å; P357-Y378 PolarHBondContact O-OH 3.12Å; D360-Y378 WeakPolarHBondContact CB-OH 3.04Å; L361-Y378 HydrophobicContact CD1-CD2 4.09Å; L361-Y378 HydrophobicContact CD1-CE2 3.78Å; L361-Y378 HydrophobicContact CD2-CD1 3.53Å; L361-Y378 HydrophobicContact CD2-CD2 3.66Å; L361-Y378 HydrophobicContact CD2-CE1 3.43Å; L361-Y378 VanDerWaalsContact CD2-CE1 3.43Å; L361-Y378 HydrophobicContact CD2-CE2 3.53Å; L361-Y378 HydrophobicContact CD2-CG 3.67Å; L361-Y378 VanDerWaalsContact CD2-CZ 3.44Å; L361-Y378 WeakPolarHBondContact CD2-O 3.18Å; L361-Y378 HydrophobicContact CG-CD1 4.41Å; L361-Y378 HydrophobicContact CG-CD2 3.93Å; L361-Y378 HydrophobicContact CG-CE1 3.94Å; L361-Y378 HydrophobicContact CG-CE2 3.37Å; L361-Y378 HydrophobicContact CG-CG 4.43Å; L361-Y378 PolarHBondContact N-OH 3.06Å; L364-Y378 HydrophobicContact CD1-CE1 4.28Å; S376-Y378 PolarHBondContact O-N 2.9Å; S376-Y378 WeakPolarHBondContact OG-CB 3.28Å; S376-Y378 PolarHBondContact OG-N 2.82Å; Y378-A380 VanDerWaalsContact C-N 3.28Å; Y378-A380 PolarHBondContact O-N 3.28Å; Y378-A381 WeakPolarHBondContact O-CB 3.4Å; Y378-A381 PolarHBondContact O-N 3.07Å; Y378-V382 PolarHBondContact O-N 3.09Å |
| 379 | S | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 170.6 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | H257 N373 S376 A381 V382 K383 | H257-S379 PolarHBondContact ND1-OG 3.45Å; N373-S379 WeakPolarHBondContact CA-OG 3.12Å; N373-S379 PolarHBondContact N-OG 2.04Å; N373-S379 WeakPolarHBondContact O-CB 3.31Å; N373-S379 PolarHBondContact O-OG 2.82Å; S376-S379 WeakPolarHBondContact O-CB 3.36Å; S376-S379 PolarHBondContact O-N 2.77Å; S379-A381 VanDerWaalsContact C-N 3.25Å; S379-A381 PolarHBondContact O-N 3.26Å; S379-V382 WeakPolarHBondContact O-CB 3.05Å; S379-V382 PolarHBondContact O-N 3.38Å; S379-V382 VanDerWaalsContact O-N 3.15Å; S379-K383 WeakPolarHBondContact O-CB 3.27Å; S379-K383 PolarHBondContact O-N 3.2Å |
| 380 | A | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.3 | -35.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E65 Q283 S376 T377 Y378 R384 | E65-A380 VanDerWaalsContact OE1-CB 3.23Å; E65-A380 WeakPolarHBondContact OE1-CB 3.15Å; Q283-A380 VanDerWaalsContact OE1-CA 3.25Å; S376-A380 PolarHBondContact O-N 2.74Å; T377-A380 WeakPolarHBondContact O-CB 3.18Å; T377-A380 PolarHBondContact O-N 3.01Å; Y378-A380 VanDerWaalsContact C-N 3.28Å; Y378-A380 PolarHBondContact O-N 3.28Å; A380-R384 VanDerWaalsContact CB-NH1 3.3Å; A380-R384 WeakPolarHBondContact O-CB 3.28Å; A380-R384 WeakPolarHBondContact O-CG 3.46Å; A380-R384 PolarHBondContact O-N 2.81Å; A380-R384 PolarHBondContact O-NH1 3.46Å |
| 381 | A | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 3% | 0.033 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -50.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I64 H228 L361 T377 Y378 S379 K383 R384 E385 | I64-A381 HydrophobicContact CD1-CB 4.12Å; I64-A381 HydrophobicContact CG2-CB 4.38Å; H228-A381 PolarHBondContact CE1-O 3.32Å; L361-A381 HydrophobicContact CD2-CB 4.33Å; T377-A381 PolarHBondContact O-N 3.15Å; Y378-A381 WeakPolarHBondContact O-CB 3.4Å; Y378-A381 PolarHBondContact O-N 3.07Å; S379-A381 VanDerWaalsContact C-N 3.25Å; S379-A381 PolarHBondContact O-N 3.26Å; A381-K383 PolarHBondContact O-N 3.46Å; A381-R384 PolarHBondContact O-N 2.75Å; A381-E385 PolarHBondContact O-N 3.33Å; A381-E385 VanDerWaalsContact O-N 3.08Å |
| 382 | V | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -47.5 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | L361 L364 A370 L372 Y378 S379 R384 E385 R386 | L361-V382 HydrophobicContact CD2-CG2 3.47Å; L361-V382 VanDerWaalsContact CD2-CG2 3.47Å; L364-V382 HydrophobicContact CB-CB 4.48Å; L364-V382 HydrophobicContact CB-CG1 3.73Å; L364-V382 HydrophobicContact CB-CG2 3.87Å; L364-V382 HydrophobicContact CD1-CG2 4.21Å; A370-V382 HydrophobicContact CB-CG1 4.44Å; L372-V382 HydrophobicContact CD1-CB 4.26Å; L372-V382 HydrophobicContact CD1-CG1 4.12Å; L372-V382 HydrophobicContact CD2-CB 4.19Å; L372-V382 HydrophobicContact CD2-CG1 3.98Å; Y378-V382 PolarHBondContact O-N 3.09Å; S379-V382 WeakPolarHBondContact O-CB 3.05Å; S379-V382 PolarHBondContact O-N 3.38Å; S379-V382 VanDerWaalsContact O-N 3.15Å; V382-R384 VanDerWaalsContact C-N 3.35Å; V382-R384 PolarHBondContact O-N 3.28Å; V382-E385 PolarHBondContact O-N 3.43Å; V382-R386 HydrophobicContact CG1-CG 4.14Å; V382-R386 WeakPolarHBondContact O-CB 3.22Å; V382-R386 VanDerWaalsContact O-CG 3.25Å; V382-R386 WeakPolarHBondContact O-CG 3.3Å; V382-R386 PolarHBondContact O-N 2.74Å |
| 383 | K | 96.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.3 | -48 | -179 | 178.4 | 60.6 | 164.9 | 72.2 | 0 | 111 | L372 S379 A381 R386 D387 F395 C410 | L372-K383 HydrophobicContact CD1-CB 3.96Å; S379-K383 WeakPolarHBondContact O-CB 3.27Å; S379-K383 PolarHBondContact O-N 3.2Å; A381-K383 PolarHBondContact O-N 3.46Å; K383-R386 PolarHBondContact O-N 3.24Å; K383-D387 IonicContact NZ-OD1 3.5Å; K383-D387 PolarHBondContact NZ-OD1 3.43Å; K383-D387 IonicContact NZ-OD2 3.74Å; K383-D387 PolarHBondContact NZ-OD2 3.12Å; K383-D387 WeakPolarHBondContact O-CB 3.46Å; K383-D387 PolarHBondContact O-N 2.88Å; K383-F395 HydrophobicContact CB-CZ 4.18Å; K383-F395 HydrophobicContact CD-CE2 4.04Å; K383-F395 HydrophobicContact CD-CZ 3.86Å; K383-F395 HydrophobicContact CG-CE2 4.48Å; K383-F395 HydrophobicContact CG-CZ 3.89Å; K383-C410 PolarHBondContact NZ-SG 3.46Å |
| 384 | R | 95.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 19.7 Ų | 19.7 | 9% | 0.087 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 178.3 | -74.1 | -171.6 | -66.8 | -79.9 | -2.4 | 112.8 | E65 H228 A380 A381 V382 R386 D387 A388 | E65-R384 IonicContact OE1-CZ 3.85Å; E65-R384 VanDerWaalsContact OE1-CZ 3.27Å; E65-R384 IonicContact OE1-NH1 3.53Å; E65-R384 PolarHBondContact OE1-NH1 3.4Å; E65-R384 IonicContact OE1-NH2 3.69Å; E65-R384 PolarHBondContact OE1-NH2 3.24Å; E65-R384 IonicContact OE2-CZ 2.8Å; E65-R384 IonicContact OE2-NH1 3.74Å; E65-R384 IonicContact OE2-NH2 2.68Å; H228-R384 HydrophobicContact CB-CB 3.87Å; H228-R384 WeakPolarHBondContact ND1-CB 3.23Å; H228-R384 PolarHBondContact ND1-NE 3.15Å; H228-R384 VanDerWaalsContact ND1-NE 3.16Å; A380-R384 VanDerWaalsContact CB-NH1 3.3Å; A380-R384 WeakPolarHBondContact O-CB 3.28Å; A380-R384 WeakPolarHBondContact O-CG 3.46Å; A380-R384 PolarHBondContact O-N 2.81Å; A380-R384 PolarHBondContact O-NH1 3.46Å; A381-R384 PolarHBondContact O-N 2.75Å; V382-R384 VanDerWaalsContact C-N 3.35Å; V382-R384 PolarHBondContact O-N 3.28Å; R384-R386 VanDerWaalsContact C-N 3.34Å; R384-D387 PolarHBondContact O-N 3.48Å; R384-A388 WeakPolarHBondContact O-CB 3.46Å; R384-A388 PolarHBondContact O-N 3.36Å |
| 385 | E | 95.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 19.7 Ų | 19.7 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 174 | -176.5 | -177 | 160.1 | 0 | 0 | 111 | W233 A381 V382 A388 K389 | W233-E385 PolarHBondContact NE1-OE2 3.37Å; A381-E385 PolarHBondContact O-N 3.33Å; A381-E385 VanDerWaalsContact O-N 3.08Å; V382-E385 PolarHBondContact O-N 3.43Å; E385-A388 PolarHBondContact O-N 2.81Å; E385-K389 HydrophobicContact CG-CD 4.24Å; E385-K389 WeakPolarHBondContact O-CG 3.49Å; E385-K389 PolarHBondContact O-N 2.82Å; E385-K389 IonicContact OE1-NZ 2.82Å; E385-K389 PolarHBondContact OE1-NZ 3.17Å |
| 386 | R | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66 | -41.4 | 179.9 | -69.3 | 179.7 | 75.9 | 73.8 | 6.8 | 112 | L364 I367 D368 V382 K383 R384 A388 K389 N390 L391 P392 S393 | L364-R386 PolarHBondContact O-NH1 3.5Å; I367-R386 PolarHBondContact O-NH1 2.71Å; I367-R386 PolarHBondContact O-NH2 3.34Å; D368-R386 PolarHBondContact O-NH2 2.92Å; D368-R386 VanDerWaalsContact O-NH2 3.16Å; V382-R386 HydrophobicContact CG1-CG 4.14Å; V382-R386 WeakPolarHBondContact O-CB 3.22Å; V382-R386 VanDerWaalsContact O-CG 3.25Å; V382-R386 WeakPolarHBondContact O-CG 3.3Å; V382-R386 PolarHBondContact O-N 2.74Å; K383-R386 PolarHBondContact O-N 3.24Å; R384-R386 VanDerWaalsContact C-N 3.34Å; R386-A388 PolarHBondContact O-N 3.21Å; R386-K389 CarbonylContact O-C 3.55Å; R386-K389 PolarHBondContact O-N 3.3Å; R386-K389 VanDerWaalsContact O-N 3.08Å; R386-N390 PolarHBondContact O-N 2.92Å; R386-L391 HydrophobicContact CB-CB 3.93Å; R386-L391 HydrophobicContact CG-CB 4.17Å; R386-L391 PolarHBondContact O-N 3.26Å; R386-P392 PolarHBondContact NE-O 2.85Å; R386-P392 PolarHBondContact NH2-O 2.68Å; R386-S393 WeakPolarHBondContact CD-OG 3.06Å; R386-S393 PolarHBondContact NE-OG 2.96Å; R386-S393 VanDerWaalsContact NE-OG 3.1Å |
| 387 | D | 91.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 20.6 Ų | 20.6 | 17% | 0.171 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.2 | -67 | -27.8 | 0 | 0 | 0 | 111.4 | K383 R384 K389 N390 C410 | K383-D387 IonicContact NZ-OD1 3.5Å; K383-D387 PolarHBondContact NZ-OD1 3.43Å; K383-D387 IonicContact NZ-OD2 3.74Å; K383-D387 PolarHBondContact NZ-OD2 3.12Å; K383-D387 WeakPolarHBondContact O-CB 3.46Å; K383-D387 PolarHBondContact O-N 2.88Å; R384-D387 PolarHBondContact O-N 3.48Å; D387-K389 PolarHBondContact O-N 3.49Å; D387-K389 VanDerWaalsContact O-N 3.16Å; D387-N390 PolarHBondContact O-N 3.13Å; D387-N390 VanDerWaalsContact O-N 3.08Å; D387-C410 HydrophobicContact CB-CB 4.41Å; D387-C410 VanDerWaalsContact CG-SG 3.51Å; D387-C410 PolarHBondContact OD2-SG 3.33Å |
| 388 | A | 89.6 | Confident | 94.6 | Very high | 52 Ų | 52 | 20.7 Ų | 20.7 | 43% | 0.43 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -60.3 | -26.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | R229 R384 E385 R386 | R229-A388 HydrophobicContact CB-CB 3.84Å; R384-A388 WeakPolarHBondContact O-CB 3.46Å; R384-A388 PolarHBondContact O-N 3.36Å; E385-A388 PolarHBondContact O-N 2.81Å; R386-A388 PolarHBondContact O-N 3.21Å |
| 389 | K | 89.6 | Confident | 94.3 | Very high | 106 Ų | 106 | 22.7 Ų | 22.7 | 46% | 0.461 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 4.4 | 179.1 | -65.3 | 175.2 | -177.8 | 177.6 | 0 | 113.8 | E385 R386 D387 L391 | E385-K389 HydrophobicContact CG-CD 4.24Å; E385-K389 WeakPolarHBondContact O-CG 3.49Å; E385-K389 PolarHBondContact O-N 2.82Å; E385-K389 IonicContact OE1-NZ 2.82Å; E385-K389 PolarHBondContact OE1-NZ 3.17Å; R386-K389 CarbonylContact O-C 3.55Å; R386-K389 PolarHBondContact O-N 3.3Å; R386-K389 VanDerWaalsContact O-N 3.08Å; D387-K389 PolarHBondContact O-N 3.49Å; D387-K389 VanDerWaalsContact O-N 3.16Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 HydrophobicContact CB-CD1 3.94Å; K389-L391 HydrophobicContact CB-CG 3.91Å; K389-L391 HydrophobicContact CD-CD1 4.26Å; K389-L391 PolarHBondContact O-N 3.49Å |
| 390 | N | 87.9 | Confident | 93.6 | Very high | 75 Ų | 75 | 26 Ų | 26 | 40% | 0.401 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 41.6 | -172.8 | -61.3 | -61.7 | 0 | 0 | 0 | 113.5 | R386 D387 | R386-N390 PolarHBondContact O-N 2.92Å; D387-N390 PolarHBondContact O-N 3.13Å; D387-N390 VanDerWaalsContact O-N 3.08Å |
| 391 | L | 91.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 31.7 Ų | 31.7 | 24% | 0.241 | 17% | 0.173 | C | C | . | . | trans | -100.5 | 146.2 | 178.5 | -68.2 | 176.2 | 0 | 0 | 0 | 111.8 | G365 R386 K389 | G365-L391 VanDerWaalsContact O-CD1 3.23Å; G365-L391 WeakPolarHBondContact O-CD1 3.4Å; R386-L391 HydrophobicContact CB-CB 3.93Å; R386-L391 HydrophobicContact CG-CB 4.17Å; R386-L391 PolarHBondContact O-N 3.26Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 HydrophobicContact CB-CD1 3.94Å; K389-L391 HydrophobicContact CB-CG 3.91Å; K389-L391 HydrophobicContact CD-CD1 4.26Å; K389-L391 PolarHBondContact O-N 3.49Å | ||
| 392 | P | 92.2 | Very high | 92.4 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 7% | 0.071 | 18% | 0.179 | C | C | . | . | trans | -79.3 | 137.2 | -169 | 34.4 | -40.5 | 0 | 0 | 0 | 114.1 | D368 L369 A370 R386 W420 L424 | D368-P392 VanDerWaalsContact O-CD 3.3Å; D368-P392 WeakPolarHBondContact O-CD 3.47Å; D368-P392 WeakPolarHBondContact O-CG 3.47Å; L369-P392 HydrophobicContact CB-CG 4.49Å; L369-P392 HydrophobicContact CD1-CB 3.73Å; L369-P392 HydrophobicContact CD1-CG 3.95Å; A370-P392 PolarHBondContact N-O 3.46Å; R386-P392 PolarHBondContact NE-O 2.85Å; R386-P392 PolarHBondContact NH2-O 2.68Å; P392-W420 HydrophobicContact CB-CB 4.49Å; P392-W420 HydrophobicContact CB-CD2 3.56Å; P392-W420 HydrophobicContact CB-CE3 2.97Å; P392-W420 HydrophobicContact CB-CG 4.22Å; P392-W420 HydrophobicContact CB-CH2 3.91Å; P392-W420 HydrophobicContact CB-CZ2 4.44Å; P392-W420 HydrophobicContact CB-CZ3 3.13Å; P392-W420 HydrophobicContact CG-CE3 4.37Å; P392-L424 HydrophobicContact CB-CD1 3.67Å; P392-L424 HydrophobicContact CB-CG 4.43Å; P392-L424 HydrophobicContact CG-CD1 4.29Å | ||
| 393 | S | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.9 | -179.5 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | A370 R386 W420 | A370-S393 CarbonylContact O-C 3.36Å; A370-S393 WeakPolarHBondContact O-CA 3.38Å; R386-S393 WeakPolarHBondContact CD-OG 3.06Å; R386-S393 PolarHBondContact NE-OG 2.96Å; R386-S393 VanDerWaalsContact NE-OG 3.1Å; S393-W420 WeakPolarHBondContact O-CH2 3.46Å |
| 394 | M | 95.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 165.3 | 173 | -73.2 | -175.2 | 63.1 | 0 | 0 | 110.7 | T311 Y314 L318 L369 A370 I371 L372 Q403 W421 | T311-M394 HydrophobicContact CG2-CE 4.03Å; Y314-M394 HydrophobicContact CD1-CE 3.45Å; Y314-M394 VanDerWaalsContact CD1-CE 3.45Å; Y314-M394 HydrophobicContact CD1-SD 3.79Å; Y314-M394 HydrophobicContact CE1-CE 3.73Å; Y314-M394 HydrophobicContact CE1-SD 3.91Å; L318-M394 HydrophobicContact CD2-SD 4.45Å; L369-M394 HydrophobicContact CD1-CG 4.17Å; L369-M394 HydrophobicContact CD2-SD 4.05Å; A370-M394 PolarHBondContact O-N 3.43Å; I371-M394 CarbonylContact C-O 3.45Å; I371-M394 WeakPolarHBondContact CA-O 3.3Å; I371-M394 HydrophobicContact CG1-CB 4.18Å; L372-M394 PolarHBondContact N-O 2.92Å; M394-Q403 HydrophobicContact CE-CG 3.98Å; M394-W421 HydrophobicContact CG-CH2 3.64Å; M394-W421 HydrophobicContact CG-CZ2 3.82Å; M394-W421 HydrophobicContact SD-CH2 3.94Å |
| 395 | F | 97.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.9 | 173.1 | -65.2 | -90.9 | 0 | 0 | 0 | 113.8 | Q283 C284 L372 C374 K383 L398 Q403 L406 | Q283-F395 HydrophobicContact CG-CE1 3.76Å; Q283-F395 HydrophobicContact CG-CZ 3.74Å; Q283-F395 VanDerWaalsContact OE1-CZ 3.28Å; C284-F395 WeakPolarHBondContact SG-CD1 3.22Å; C284-F395 VanDerWaalsContact SG-CD2 3.53Å; C284-F395 WeakPolarHBondContact SG-CG 3.11Å; L372-F395 HydrophobicContact CB-CD1 3.54Å; L372-F395 HydrophobicContact CB-CE1 3.49Å; L372-F395 VanDerWaalsContact CB-CE1 3.49Å; L372-F395 HydrophobicContact CB-CG 4.38Å; L372-F395 HydrophobicContact CB-CZ 4.31Å; L372-F395 HydrophobicContact CD1-CE1 4.12Å; L372-F395 HydrophobicContact CD1-CZ 4.23Å; L372-F395 HydrophobicContact CG-CE1 4.45Å; L372-F395 CarbonylContact O-C 3.48Å; L372-F395 WeakPolarHBondContact O-CA 3.15Å; L372-F395 WeakPolarHBondContact O-CD1 3.21Å; C374-F395 HydrophobicContact CB-CD1 4.45Å; C374-F395 WeakPolarHBondContact SG-CB 3.43Å; K383-F395 HydrophobicContact CB-CZ 4.18Å; K383-F395 HydrophobicContact CD-CE2 4.04Å; K383-F395 HydrophobicContact CD-CZ 3.86Å; K383-F395 HydrophobicContact CG-CE2 4.48Å; K383-F395 HydrophobicContact CG-CZ 3.89Å; F395-L398 HydrophobicContact CB-CD1 4.05Å; F395-L398 HydrophobicContact CB-CG 4.38Å; F395-L398 HydrophobicContact CD2-CD1 4.37Å; F395-Q403 PolarHBondContact O-NE2 3.19Å; F395-L406 HydrophobicContact CD2-CD1 3.5Å; F395-L406 HydrophobicContact CD2-CD2 4.36Å; F395-L406 HydrophobicContact CE2-CD1 3.85Å; F395-L406 HydrophobicContact CE2-CD2 4.38Å |
| 396 | F | 97.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 149.2 | 168.5 | -63.4 | -67.3 | 0 | 0 | 0 | 112.2 | V256 L258 P303 V308 T311 I371 L372 L398 | V256-F396 HydrophobicContact CG1-CE2 3.91Å; V256-F396 HydrophobicContact CG1-CZ 3.42Å; V256-F396 VanDerWaalsContact CG1-CZ 3.42Å; L258-F396 HydrophobicContact CD2-CE2 3.87Å; L258-F396 HydrophobicContact CD2-CZ 3.72Å; P303-F396 HydrophobicContact CB-CB 3.87Å; P303-F396 HydrophobicContact CB-CD1 4.41Å; P303-F396 HydrophobicContact CB-CG 4.17Å; P303-F396 HydrophobicContact CG-CB 3.87Å; P303-F396 HydrophobicContact CG-CD1 4.39Å; P303-F396 HydrophobicContact CG-CD2 4.11Å; P303-F396 HydrophobicContact CG-CG 3.88Å; V308-F396 HydrophobicContact CB-CE1 4.24Å; V308-F396 HydrophobicContact CG1-CE1 4.2Å; V308-F396 HydrophobicContact CG1-CZ 4.32Å; V308-F396 HydrophobicContact CG2-CD1 4.43Å; V308-F396 HydrophobicContact CG2-CE1 4.09Å; V308-F396 HydrophobicContact CG2-CZ 4.36Å; T311-F396 HydrophobicContact CG2-CD1 3.96Å; T311-F396 HydrophobicContact CG2-CE1 4.19Å; I371-F396 HydrophobicContact CB-CZ 4.47Å; I371-F396 HydrophobicContact CG2-CD1 3.93Å; I371-F396 HydrophobicContact CG2-CD2 4.19Å; I371-F396 HydrophobicContact CG2-CE1 3.56Å; I371-F396 HydrophobicContact CG2-CE2 3.86Å; I371-F396 HydrophobicContact CG2-CG 4.25Å; I371-F396 HydrophobicContact CG2-CZ 3.57Å; L372-F396 WeakPolarHBondContact O-CD2 3.33Å; L372-F396 PolarHBondContact O-N 2.74Å; F396-L398 VanDerWaalsContact C-N 3.26Å; F396-L398 PolarHBondContact O-N 2.79Å |
| 397 | G | 95.3 | Very high | 87.2 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -3.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 398 | L | 94.4 | Very high | 85.6 | Confident | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | trans | -94.4 | 138 | 172.2 | -64.1 | -176.2 | 0 | 0 | 0 | 111.3 | C284 P293 M300 F395 F396 N402 Q403 L406 | C284-L398 HydrophobicContact CB-CD1 3.99Å; C284-L398 HydrophobicContact CB-CD2 4.4Å; P293-L398 HydrophobicContact CG-CD2 4.5Å; M300-L398 HydrophobicContact CE-CD2 3.95Å; M300-L398 HydrophobicContact CG-CD2 4.35Å; M300-L398 HydrophobicContact SD-CD2 4.03Å; F395-L398 HydrophobicContact CB-CD1 4.05Å; F395-L398 HydrophobicContact CB-CG 4.38Å; F395-L398 HydrophobicContact CD2-CD1 4.37Å; F396-L398 VanDerWaalsContact C-N 3.26Å; F396-L398 PolarHBondContact O-N 2.79Å; L398-N402 HydrophobicContact CB-CB 4.05Å; L398-N402 HydrophobicContact CD2-CB 4.24Å; L398-Q403 HydrophobicContact CB-CG 4.23Å; L398-Q403 PolarHBondContact O-NE2 2.73Å; L398-L406 HydrophobicContact CD1-CD1 4.01Å; L398-L406 HydrophobicContact CD1-CD2 3.92Å; L398-L406 HydrophobicContact CD1-CG 4.28Å | ||
| 399 | T | 91 | Very high | 84.2 | Confident | 71 Ų | 71 | 41.5 Ų | 41.5 | 44% | 0.436 | 22% | 0.218 | S | C | . | . | trans | -65.5 | 161.3 | 171.7 | 71.2 | 0 | 0 | 0 | 0 | 111 | E401 N402 Q403 | T399-E401 WeakPolarHBondContact CB-OE2 3.22Å; T399-E401 PolarHBondContact O-N 3.15Å; T399-E401 PolarHBondContact OG1-OE2 2.98Å; T399-N402 PolarHBondContact O-N 3.02Å; T399-N402 PolarHBondContact OG1-N 3.05Å; T399-N402 PolarHBondContact OG1-OD1 3.09Å; T399-Q403 WeakPolarHBondContact O-CG 3.34Å; T399-Q403 PolarHBondContact O-N 3.01Å | ||
| 400 | I | 83.5 | Confident | 82.5 | Confident | 69 Ų | 69 | 38.9 Ų | 38.9 | 35% | 0.354 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.5 | -38.1 | -179.4 | -67.8 | 168.5 | 0 | 0 | 0 | 111.4 | Y314 Q403 R404 | Y314-I400 HydrophobicContact CD2-CD1 3.86Å; Y314-I400 HydrophobicContact CD2-CG1 4.16Å; Y314-I400 HydrophobicContact CE2-CD1 3.56Å; Y314-I400 HydrophobicContact CE2-CG1 3.78Å; Y314-I400 HydrophobicContact CE2-CG2 4.2Å; Y314-I400 WeakPolarHBondContact OH-CG2 3.46Å; I400-Q403 PolarHBondContact O-N 2.55Å; I400-R404 PolarHBondContact O-N 3.42Å |
| 401 | E | 82.8 | Confident | 80.6 | Confident | 120 Ų | 120 | 37.8 Ų | 37.8 | 56% | 0.561 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64 | -45.5 | 177.5 | -60.1 | 68.3 | -143.9 | 0 | 0 | 110.6 | T399 Q403 R404 G405 | T399-E401 WeakPolarHBondContact CB-OE2 3.22Å; T399-E401 PolarHBondContact O-N 3.15Å; T399-E401 PolarHBondContact OG1-OE2 2.98Å; E401-Q403 VanDerWaalsContact C-N 3.33Å; E401-Q403 PolarHBondContact O-N 3.27Å; E401-R404 PolarHBondContact O-N 3.35Å; E401-G405 PolarHBondContact O-N 2.59Å |
| 402 | N | 86.3 | Confident | 78.2 | Confident | 29 Ų | 29 | 41.2 Ų | 41.2 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 179.8 | -63.6 | -0.8 | 0 | 0 | 0 | 111.6 | P292 L398 T399 R404 G405 | P292-N402 WeakPolarHBondContact CG-OD1 3.28Å; P292-N402 PolarHBondContact O-ND2 3.12Å; P292-N402 VanDerWaalsContact O-ND2 3.09Å; L398-N402 HydrophobicContact CB-CB 4.05Å; L398-N402 HydrophobicContact CD2-CB 4.24Å; T399-N402 PolarHBondContact O-N 3.02Å; T399-N402 PolarHBondContact OG1-N 3.05Å; T399-N402 PolarHBondContact OG1-OD1 3.09Å; N402-R404 VanDerWaalsContact C-N 3.29Å; N402-R404 PolarHBondContact O-N 2.78Å; N402-G405 PolarHBondContact O-N 2.83Å; N402-G405 VanDerWaalsContact O-N 3.17Å |
| 403 | Q | 87 | Confident | 75.9 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 176.2 | -59.1 | -79 | -0.9 | 0 | 0 | 111.5 | M394 F395 L398 T399 I400 E401 G405 L406 W421 | M394-Q403 HydrophobicContact CE-CG 3.98Å; F395-Q403 PolarHBondContact O-NE2 3.19Å; L398-Q403 HydrophobicContact CB-CG 4.23Å; L398-Q403 PolarHBondContact O-NE2 2.73Å; T399-Q403 WeakPolarHBondContact O-CG 3.34Å; T399-Q403 PolarHBondContact O-N 3.01Å; I400-Q403 PolarHBondContact O-N 2.55Å; E401-Q403 VanDerWaalsContact C-N 3.33Å; E401-Q403 PolarHBondContact O-N 3.27Å; Q403-G405 VanDerWaalsContact C-N 3.29Å; Q403-G405 PolarHBondContact O-N 3.19Å; Q403-L406 WeakPolarHBondContact O-CB 3.32Å; Q403-L406 WeakPolarHBondContact O-CD1 3.42Å; Q403-L406 WeakPolarHBondContact O-CG 3.37Å; Q403-L406 PolarHBondContact O-N 2.76Å; Q403-W421 HydrophobicContact CB-CH2 4.05Å; Q403-W421 HydrophobicContact CB-CZ2 3.71Å; Q403-W421 PolarHBondContact O-NE1 3.46Å |
| 404 | R | 75.1 | Confident | 73.3 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 46% | 0.457 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.1 | -33.1 | 179 | -67.2 | 173.2 | 178.2 | 172.4 | 0.2 | 112.1 | I400 E401 N402 L406 Y425 | I400-R404 PolarHBondContact O-N 3.42Å; E401-R404 PolarHBondContact O-N 3.35Å; N402-R404 VanDerWaalsContact C-N 3.29Å; N402-R404 PolarHBondContact O-N 2.78Å; R404-L406 VanDerWaalsContact C-N 3.25Å; R404-L406 PolarHBondContact O-N 2.82Å; R404-Y425 PolarHBondContact NE-OH 3.24Å; R404-Y425 VanDerWaalsContact NH2-CZ 3.31Å; R404-Y425 PolarHBondContact NH2-OH 3.23Å |
| 405 | G | 71.1 | Confident | 70.8 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.7 | -17.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L291 E401 N402 Q403 E407 V408 | L291-G405 WeakPolarHBondContact CD1-O 3.16Å; E401-G405 PolarHBondContact O-N 2.59Å; N402-G405 PolarHBondContact O-N 2.83Å; N402-G405 VanDerWaalsContact O-N 3.17Å; Q403-G405 VanDerWaalsContact C-N 3.29Å; Q403-G405 PolarHBondContact O-N 3.19Å; G405-E407 PolarHBondContact O-N 3.38Å; G405-E407 VanDerWaalsContact O-N 3.13Å; G405-V408 WeakPolarHBondContact O-CB 3.23Å; G405-V408 PolarHBondContact O-N 3.33Å |
| 406 | L | 75.9 | Confident | 68.3 | Low | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.1 | -174.3 | -65.6 | 170.1 | 0 | 0 | 0 | 114.6 | F395 L398 Q403 R404 V408 L409 | F395-L406 HydrophobicContact CD2-CD1 3.5Å; F395-L406 HydrophobicContact CD2-CD2 4.36Å; F395-L406 HydrophobicContact CE2-CD1 3.85Å; F395-L406 HydrophobicContact CE2-CD2 4.38Å; L398-L406 HydrophobicContact CD1-CD1 4.01Å; L398-L406 HydrophobicContact CD1-CD2 3.92Å; L398-L406 HydrophobicContact CD1-CG 4.28Å; Q403-L406 WeakPolarHBondContact O-CB 3.32Å; Q403-L406 WeakPolarHBondContact O-CD1 3.42Å; Q403-L406 WeakPolarHBondContact O-CG 3.37Å; Q403-L406 PolarHBondContact O-N 2.76Å; R404-L406 VanDerWaalsContact C-N 3.25Å; R404-L406 PolarHBondContact O-N 2.82Å; L406-V408 PolarHBondContact O-N 3.49Å; L406-L409 HydrophobicContact CD2-CD1 4.35Å; L406-L409 PolarHBondContact O-N 2.77Å |
| 407 | E | 62.2 | Low | 65.8 | Low | 19 Ų | 19 | 66.3 Ų | 66.3 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -25.1 | 175.3 | -82.9 | 178.3 | 155.9 | 0 | 0 | 113.4 | G405 L409 Y419 W420 W421 | G405-E407 PolarHBondContact O-N 3.38Å; G405-E407 VanDerWaalsContact O-N 3.13Å; E407-L409 VanDerWaalsContact C-N 3.32Å; E407-Y419 HydrophobicContact CB-CD1 3.72Å; E407-Y419 HydrophobicContact CB-CE1 4.02Å; E407-Y419 HydrophobicContact CG-CD1 4.04Å; E407-Y419 WeakPolarHBondContact OE1-CA 3.16Å; E407-Y419 VanDerWaalsContact OE2-CB 3.25Å; E407-Y419 WeakPolarHBondContact OE2-CB 3.18Å; E407-Y419 WeakPolarHBondContact OE2-CD1 3.28Å; E407-W420 HydrophobicContact CG-CD2 4.35Å; E407-W420 HydrophobicContact CG-CZ2 4.19Å; E407-W420 WeakPolarHBondContact OE1-CA 3.41Å; E407-W420 VanDerWaalsContact OE1-CD1 3.24Å; E407-W420 VanDerWaalsContact OE1-CD2 3.28Å; E407-W420 PolarHBondContact OE1-N 2.84Å; E407-W420 PolarHBondContact OE1-NE1 2.87Å; E407-W421 PolarHBondContact OE1-N 3.28Å; E407-W421 WeakPolarHBondContact OE2-CB 3.19Å |
| 408 | V | 58.1 | Low | 63.6 | Low | 100 Ų | 100 | 69.2 Ų | 69.2 | 61% | 0.606 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -71 | -30.9 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 111 | G405 L406 C410 | G405-V408 WeakPolarHBondContact O-CB 3.23Å; G405-V408 PolarHBondContact O-N 3.33Å; L406-V408 PolarHBondContact O-N 3.49Å; V408-C410 PolarHBondContact O-N 3.43Å |
| 409 | L | 58.5 | Low | 61.8 | Low | 42 Ų | 42 | 71.8 Ų | 71.8 | 22% | 0.22 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -70.6 | -11.6 | -176.6 | -66.9 | 179.2 | 0 | 0 | 0 | 114.4 | L291 L406 E407 | L291-L409 HydrophobicContact CD1-CD1 3.73Å; L291-L409 HydrophobicContact CD1-CD2 3.91Å; L291-L409 HydrophobicContact CD1-CG 3.58Å; L291-L409 HydrophobicContact CG-CD2 4.14Å; L291-L409 HydrophobicContact CG-CG 4.36Å; L406-L409 HydrophobicContact CD2-CD1 4.35Å; L406-L409 PolarHBondContact O-N 2.77Å; E407-L409 VanDerWaalsContact C-N 3.32Å |
| 410 | C | 54 | Low | 60.4 | Low | 51 Ų | 51 | 69 Ų | 69 | 35% | 0.345 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -113.7 | -15.5 | -169.6 | -60.7 | 0 | 0 | 0 | 0 | 114.2 | K383 D387 V408 | K383-C410 PolarHBondContact NZ-SG 3.46Å; D387-C410 HydrophobicContact CB-CB 4.41Å; D387-C410 VanDerWaalsContact CG-SG 3.51Å; D387-C410 PolarHBondContact OD2-SG 3.33Å; V408-C410 PolarHBondContact O-N 3.43Å |
| 411 | N | 48.4 | Very low | 59.3 | Low | 52 Ų | 52 | 66.1 Ų | 66.1 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | trans | -109 | 76.6 | -172.8 | -91.9 | -25.7 | 0 | 0 | 0 | 112 | S414 | N411-S414 PolarHBondContact OD1-OG 3.46Š| ||
| 412 | S | 42 | Very low | 58.2 | Low | 118 Ų | 118 | 63 Ų | 63 | 83% | 0.825 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -89.2 | -6 | 160.3 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 413 | T | 43.5 | Very low | 56.9 | Low | 125 Ų | 125 | 66.8 Ų | 66.8 | 77% | 0.767 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -137.5 | 11.2 | -170.5 | 59.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 414 | S | 40.5 | Very low | 55.7 | Low | 63 Ų | 63 | 67.9 Ų | 67.9 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -138.2 | 136.1 | 174.8 | 88.6 | 0 | 0 | 0 | 0 | 112.9 | N411 A416 | N411-S414 PolarHBondContact OD1-OG 3.46Å; S414-A416 PolarHBondContact O-N 2.74Å |
| 415 | K | 42.9 | Very low | 54.8 | Low | 184 Ų | 184 | 66.8 Ų | 66.8 | 80% | 0.8 | 38% | 0.376 | S | S | * | . | trans | -47.8 | 133.9 | 177.2 | -76.6 | 176.9 | 175 | 177.3 | 0 | 109.7 | T417 | K415-T417 PolarHBondContact O-N 2.9Š| ||
| 416 | A | 45 | Very low | 53.9 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 50% | 0.504 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 19.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | S414 Y419 | S414-A416 PolarHBondContact O-N 2.74Å; A416-Y419 HydrophobicContact CB-CE2 3.76Å; A416-Y419 VanDerWaalsContact O-CD2 3.23Å; A416-Y419 WeakPolarHBondContact O-CD2 3.46Å; A416-Y419 WeakPolarHBondContact O-CE2 3.45Å |
| 417 | T | 43.9 | Very low | 52.3 | Low | 109 Ų | 109 | 84.6 Ų | 84.6 | 67% | 0.669 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -0.4 | -166.9 | 49.3 | 0 | 0 | 0 | 0 | 115 | K415 | K415-T417 PolarHBondContact O-N 2.9Š|
| 418 | N | 49.7 | Very low | 51.8 | Low | 83 Ų | 83 | 87.9 Ų | 87.9 | 44% | 0.444 | 47% | 0.466 | S | S | . | . | trans | -130.8 | 33.6 | -174.3 | -86.7 | -43.1 | 0 | 0 | 0 | 115.2 | W420 K423 | N418-W420 PolarHBondContact O-N 3.5Å; N418-K423 PolarHBondContact OD1-NZ 3.46Å | ||
| 419 | Y | 56.8 | Low | 51.5 | Low | 68 Ų | 68 | 87.3 Ų | 87.3 | 27% | 0.267 | 46% | 0.459 | S | S | . | . | trans | -59.6 | 121.3 | 172.7 | -67.7 | -55.7 | 0 | 0 | 0 | 111.7 | E407 A416 S422 K423 | E407-Y419 HydrophobicContact CB-CD1 3.72Å; E407-Y419 HydrophobicContact CB-CE1 4.02Å; E407-Y419 HydrophobicContact CG-CD1 4.04Å; E407-Y419 WeakPolarHBondContact OE1-CA 3.16Å; E407-Y419 VanDerWaalsContact OE2-CB 3.25Å; E407-Y419 WeakPolarHBondContact OE2-CB 3.18Å; E407-Y419 WeakPolarHBondContact OE2-CD1 3.28Å; A416-Y419 HydrophobicContact CB-CE2 3.76Å; A416-Y419 VanDerWaalsContact O-CD2 3.23Å; A416-Y419 WeakPolarHBondContact O-CD2 3.46Å; A416-Y419 WeakPolarHBondContact O-CE2 3.45Å; Y419-S422 WeakPolarHBondContact O-CB 3.43Å; Y419-S422 PolarHBondContact O-N 3.2Å; Y419-S422 PolarHBondContact O-OG 3.41Å; Y419-K423 PolarHBondContact O-N 3.39Å | ||
| 420 | W | 61.4 | Low | 51.1 | Low | 14 Ų | 14 | 89.8 Ų | 89.8 | 5% | 0.053 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -70.3 | -32.2 | 179.3 | 55.1 | -99.9 | 0 | 0 | 0 | 112.2 | P392 S393 E407 N418 S422 K423 L424 | P392-W420 HydrophobicContact CB-CB 4.49Å; P392-W420 HydrophobicContact CB-CD2 3.56Å; P392-W420 HydrophobicContact CB-CE3 2.97Å; P392-W420 HydrophobicContact CB-CG 4.22Å; P392-W420 HydrophobicContact CB-CH2 3.91Å; P392-W420 HydrophobicContact CB-CZ2 4.44Å; P392-W420 HydrophobicContact CB-CZ3 3.13Å; P392-W420 HydrophobicContact CG-CE3 4.37Å; S393-W420 WeakPolarHBondContact O-CH2 3.46Å; E407-W420 HydrophobicContact CG-CD2 4.35Å; E407-W420 HydrophobicContact CG-CZ2 4.19Å; E407-W420 WeakPolarHBondContact OE1-CA 3.41Å; E407-W420 VanDerWaalsContact OE1-CD1 3.24Å; E407-W420 VanDerWaalsContact OE1-CD2 3.28Å; E407-W420 PolarHBondContact OE1-N 2.84Å; E407-W420 PolarHBondContact OE1-NE1 2.87Å; N418-W420 PolarHBondContact O-N 3.5Å; W420-S422 VanDerWaalsContact C-N 3.26Å; W420-S422 PolarHBondContact O-N 3.22Å; W420-K423 CarbonylContact O-C 3.19Å; W420-K423 WeakPolarHBondContact O-CA 3.13Å; W420-K423 WeakPolarHBondContact O-CB 3.29Å; W420-K423 PolarHBondContact O-N 2.88Å; W420-L424 HydrophobicContact CE3-CD1 3.72Å; W420-L424 HydrophobicContact CE3-CG 4.43Å; W420-L424 HydrophobicContact CZ3-CD1 3.76Å; W420-L424 WeakPolarHBondContact O-CG 3.36Å; W420-L424 PolarHBondContact O-N 2.83Å |
| 421 | W | 60.8 | Low | 50.9 | Low | 7 Ų | 7 | 92.1 Ų | 92.1 | 3% | 0.027 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 171.6 | -82.3 | 123.7 | 0 | 0 | 0 | 110 | L318 M394 Q403 E407 K423 L424 Y425 | L318-W421 HydrophobicContact CD1-CZ3 4.44Å; L318-W421 HydrophobicContact CD2-CE3 4.28Å; L318-W421 HydrophobicContact CD2-CH2 3.97Å; L318-W421 HydrophobicContact CD2-CZ3 3.4Å; M394-W421 HydrophobicContact CG-CH2 3.64Å; M394-W421 HydrophobicContact CG-CZ2 3.82Å; M394-W421 HydrophobicContact SD-CH2 3.94Å; Q403-W421 HydrophobicContact CB-CH2 4.05Å; Q403-W421 HydrophobicContact CB-CZ2 3.71Å; Q403-W421 PolarHBondContact O-NE1 3.46Å; E407-W421 PolarHBondContact OE1-N 3.28Å; E407-W421 WeakPolarHBondContact OE2-CB 3.19Å; W421-K423 PolarHBondContact O-N 3.22Å; W421-L424 HydrophobicContact CE3-CD1 3.97Å; W421-L424 HydrophobicContact CZ3-CD1 4.24Å; W421-L424 PolarHBondContact O-N 2.75Å; W421-Y425 HydrophobicContact CE3-CD2 4.31Å; W421-Y425 AromaticContact CE3-CE2 3.63Å; W421-Y425 HydrophobicContact CE3-CE2 3.63Å; W421-Y425 HydrophobicContact CZ3-CE2 4.06Å; W421-Y425 VanDerWaalsContact O-CD2 3.31Å; W421-Y425 WeakPolarHBondContact O-CD2 3.49Å; W421-Y425 PolarHBondContact O-N 2.81Å; W421-Y425 VanDerWaalsContact O-N 3.13Å |
| 422 | S | 58.1 | Low | 51.1 | Low | 54 Ų | 54 | 94.6 Ų | 94.6 | 38% | 0.378 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -31.3 | 175.7 | 84.1 | 0 | 0 | 0 | 0 | 112.5 | Y419 W420 K426 | Y419-S422 WeakPolarHBondContact O-CB 3.43Å; Y419-S422 PolarHBondContact O-N 3.2Å; Y419-S422 PolarHBondContact O-OG 3.41Å; W420-S422 VanDerWaalsContact C-N 3.26Å; W420-S422 PolarHBondContact O-N 3.22Å; S422-K426 VanDerWaalsContact O-CG 3.31Å; S422-K426 WeakPolarHBondContact O-CG 3.19Å; S422-K426 PolarHBondContact O-N 3.05Å |
| 423 | K | 60.4 | Low | 51.7 | Low | 109 Ų | 109 | 93 Ų | 93 | 47% | 0.474 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.6 | -32.1 | 174.5 | -65.6 | 179.7 | -178 | 173.2 | 0 | 112.6 | N418 Y419 W420 W421 | N418-K423 PolarHBondContact OD1-NZ 3.46Å; Y419-K423 PolarHBondContact O-N 3.39Å; W420-K423 CarbonylContact O-C 3.19Å; W420-K423 WeakPolarHBondContact O-CA 3.13Å; W420-K423 WeakPolarHBondContact O-CB 3.29Å; W420-K423 PolarHBondContact O-N 2.88Å; W421-K423 PolarHBondContact O-N 3.22Å |
| 424 | L | 60.8 | Low | 52.2 | Low | 25 Ų | 25 | 90.7 Ų | 90.7 | 13% | 0.131 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 178.5 | -72.1 | -178.2 | 0 | 0 | 0 | 112.4 | L318 I319 P392 W420 W421 | L318-L424 HydrophobicContact CD1-CB 4.29Å; L318-L424 HydrophobicContact CD2-CD1 3.73Å; L318-L424 HydrophobicContact CG-CB 4.41Å; L318-L424 HydrophobicContact CG-CD1 4.26Å; I319-L424 HydrophobicContact CG2-CD2 3.8Å; P392-L424 HydrophobicContact CB-CD1 3.67Å; P392-L424 HydrophobicContact CB-CG 4.43Å; P392-L424 HydrophobicContact CG-CD1 4.29Å; W420-L424 HydrophobicContact CE3-CD1 3.72Å; W420-L424 HydrophobicContact CE3-CG 4.43Å; W420-L424 HydrophobicContact CZ3-CD1 3.76Å; W420-L424 WeakPolarHBondContact O-CG 3.36Å; W420-L424 PolarHBondContact O-N 2.83Å; W421-L424 HydrophobicContact CE3-CD1 3.97Å; W421-L424 HydrophobicContact CZ3-CD1 4.24Å; W421-L424 PolarHBondContact O-N 2.75Å |
| 425 | Y | 56.1 | Low | 53.1 | Low | 98 Ų | 98 | 92.8 Ų | 92.8 | 38% | 0.384 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -83 | -14.3 | 179.1 | -76 | -80 | 0 | 0 | 0 | 114.3 | Y314 L318 R404 W421 K427 | Y314-Y425 PolarHBondContact OH-OH 3.43Å; L318-Y425 HydrophobicContact CD1-CE1 4.3Å; L318-Y425 HydrophobicContact CD1-CE2 4.44Å; R404-Y425 PolarHBondContact NE-OH 3.24Å; R404-Y425 VanDerWaalsContact NH2-CZ 3.31Å; R404-Y425 PolarHBondContact NH2-OH 3.23Å; W421-Y425 HydrophobicContact CE3-CD2 4.31Å; W421-Y425 AromaticContact CE3-CE2 3.63Å; W421-Y425 HydrophobicContact CE3-CE2 3.63Å; W421-Y425 HydrophobicContact CZ3-CE2 4.06Å; W421-Y425 VanDerWaalsContact O-CD2 3.31Å; W421-Y425 WeakPolarHBondContact O-CD2 3.49Å; W421-Y425 PolarHBondContact O-N 2.81Å; W421-Y425 VanDerWaalsContact O-N 3.13Å; Y425-K427 VanDerWaalsContact C-N 3.32Å |
| 426 | K | 53.2 | Low | 54 | Low | 185 Ų | 185 | 85.3 Ų | 85.3 | 80% | 0.804 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -1 | 174.1 | -76.8 | -177.7 | 179.1 | -175.7 | 0 | 113.6 | S422 | S422-K426 VanDerWaalsContact O-CG 3.31Å; S422-K426 WeakPolarHBondContact O-CG 3.19Å; S422-K426 PolarHBondContact O-N 3.05Å |
| 427 | K | 41.8 | Very low | 54.8 | Low | 210 Ų | 210 | 87.5 Ų | 87.5 | 91% | 0.913 | 41% | 0.413 | S | S | * | . | trans | -116.1 | 0 | 176.7 | -71.6 | -172.3 | 176 | -177.3 | 0 | 111.1 | K320 Y425 | K320-K427 PolarHBondContact NZ-O 3.1Å; Y425-K427 VanDerWaalsContact C-N 3.32Å |
Retrieved 427 of 427 residues in 362.1 ms
(Link to these results)