| 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 | 44.1 | Very low | 41.3 | Very low | 246 Ų | 246 | 138.5 Ų | 138.5 | 100% | 1.212 | 82% | 0.822 | S | S | * | * | 0 | 115.7 | 0 | -70.4 | 177.3 | -73.3 | 0 | 0 | 106.9 | |||||
| 2 | A | 36.5 | Very low | 41.9 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -159.6 | 147.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | E | 35 | Very low | 42.1 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -53 | 161 | -169.8 | -64.7 | -72.8 | 84.4 | 0 | 0 | 118.2 | ||||
| 4 | L | 39.5 | Very low | 42.6 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -77.3 | 156.8 | 160.3 | -93.2 | 160.1 | 0 | 0 | 0 | 110.9 | ||||
| 5 | P | 42.8 | Very low | 42.9 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | -141.8 | 162.7 | 96 | 38.6 | -25.5 | 0 | 0 | 0 | 114.8 | |||||
| 6 | G | 39 | Very low | 43.2 | Very low | 62 Ų | 62 | 134 Ų | 134 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | -83.7 | -161.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | P | 54.8 | Low | 43.2 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | cis | -116.1 | -163.8 | 7.9 | 40.5 | -23.2 | 0 | 0 | 0 | 111 | ||||
| 8 | F | 38.3 | Very low | 43.3 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | -159.1 | 145.6 | 66 | -92.7 | -86.1 | 0 | 0 | 0 | 111.6 | C10 | F8-C10 PolarHBondContact O-N 3.39Š| |||
| 9 | L | 45.3 | Very low | 43.4 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -79.7 | 115 | 164.9 | -70.3 | 86.3 | 0 | 0 | 0 | 109.4 | G11 | L9-G11 PolarHBondContact O-N 3.13Š| ||
| 10 | C | 39.3 | Very low | 43.9 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -90.3 | 81.3 | 158 | -164.6 | 0 | 0 | 0 | 0 | 108.4 | F8 A12 | F8-C10 PolarHBondContact O-N 3.39Å; C10-A12 PolarHBondContact O-N 2.71Å | ||
| 11 | G | 39.5 | Very low | 44.4 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -69.6 | 92.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L9 L13 | L9-G11 PolarHBondContact O-N 3.13Å; G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 2.79Å | ||
| 12 | A | 48.2 | Very low | 45.1 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -66.2 | 92.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | C10 L14 | C10-A12 PolarHBondContact O-N 2.71Å; A12-L14 PolarHBondContact O-N 2.79Å | ||
| 13 | L | 45.5 | Very low | 46.4 | Very low | 166 Ų | 166 | 121.3 Ų | 121.3 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | -63.4 | 93 | 162 | -105.6 | 76.5 | 0 | 0 | 0 | 107.9 | G11 G15 | G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 2.79Å; L13-G15 PolarHBondContact O-N 3.27Å | ||
| 14 | L | 48.3 | Very low | 48.5 | Very low | 159 Ų | 159 | 113 Ų | 113 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -65.7 | 71.1 | 150.9 | -88.6 | 158.9 | 0 | 0 | 0 | 107.6 | A12 L16 | A12-L14 PolarHBondContact O-N 2.79Å; L14-L16 PolarHBondContact O-N 2.92Å; L14-L16 VanDerWaalsContact O-N 3.09Å | ||
| 15 | G | 47.1 | Very low | 50.6 | Low | 53 Ų | 53 | 110.2 Ų | 110.2 | 55% | 0.546 | 69% | 0.686 | S | S | . | * | trans | -59.9 | 113.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | L13 L17 | L13-G15 PolarHBondContact O-N 3.27Å; G15-L17 PolarHBondContact O-N 3.17Å | ||
| 16 | L | 48.6 | Very low | 52.9 | Low | 155 Ų | 155 | 105.5 Ų | 105.5 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | trans | -63.1 | 95.4 | 164.8 | -82.8 | 78.8 | 0 | 0 | 0 | 106.4 | L14 C18 | L14-L16 PolarHBondContact O-N 2.92Å; L14-L16 VanDerWaalsContact O-N 3.09Å; L16-C18 PolarHBondContact O-N 3.23Å | ||
| 17 | L | 43.6 | Very low | 55.4 | Low | 159 Ų | 159 | 107.8 Ų | 107.8 | 83% | 0.832 | 65% | 0.648 | S | S | * | * | trans | -58.5 | 90.9 | 150.7 | -78.7 | 167.4 | 0 | 0 | 0 | 105.6 | G15 L19 | G15-L17 PolarHBondContact O-N 3.17Å; L17-L19 PolarHBondContact O-N 2.73Å | ||
| 18 | C | 44 | Very low | 57.3 | Low | 108 Ų | 108 | 105.2 Ų | 105.2 | 73% | 0.73 | 63% | 0.63 | S | S | * | * | trans | -58.7 | 90.4 | 157 | -73.9 | 0 | 0 | 0 | 0 | 106.1 | L16 S20 | L16-C18 PolarHBondContact O-N 3.23Å; C18-S20 PolarHBondContact O-N 3.31Å | ||
| 19 | L | 45.6 | Very low | 59.9 | Low | 164 Ų | 164 | 99.7 Ų | 99.7 | 86% | 0.859 | 61% | 0.614 | S | S | * | * | trans | -59.8 | 85.5 | 156.5 | -71.8 | 168.8 | 0 | 0 | 0 | 105.6 | L17 G21 | L17-L19 PolarHBondContact O-N 2.73Å; L19-G21 VanDerWaalsContact C-N 3.26Å; L19-G21 PolarHBondContact O-N 3.08Å | ||
| 20 | S | 53.4 | Low | 61.9 | Low | 107 Ų | 107 | 98.7 Ų | 98.7 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | trans | -59.5 | 97.7 | 167.8 | 51.4 | 0 | 0 | 0 | 0 | 105.9 | C18 | C18-S20 PolarHBondContact O-N 3.31Š| ||
| 21 | G | 54.2 | Low | 64.3 | Low | 59 Ų | 59 | 100.1 Ų | 100.1 | 61% | 0.608 | 61% | 0.609 | S | S | * | * | trans | -53.1 | 155.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | L19 A23 | L19-G21 VanDerWaalsContact C-N 3.26Å; L19-G21 PolarHBondContact O-N 3.08Å; G21-A23 PolarHBondContact O-N 2.73Å | ||
| 22 | L | 57.9 | Low | 66.5 | Low | 85 Ų | 85 | 101.7 Ų | 101.7 | 45% | 0.445 | 61% | 0.607 | S | S | . | * | trans | -72.1 | 54.7 | -176.2 | -59.7 | 168.9 | 0 | 0 | 0 | 111.2 | V24 S50 T131 | L22-V24 PolarHBondContact O-N 2.67Å; L22-S50 WeakPolarHBondContact CD2-OG 3.31Å; L22-T131 VanDerWaalsContact O-CB 3.3Å; L22-T131 WeakPolarHBondContact O-CB 3.32Å; L22-T131 WeakPolarHBondContact O-CG2 3.44Å | ||
| 23 | A | 64.6 | Low | 68.8 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 60% | 0.603 | 59% | 0.585 | S | S | * | * | trans | -78.3 | 108.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G21 E25 | G21-A23 PolarHBondContact O-N 2.73Å; A23-E25 PolarHBondContact O-N 2.77Å | ||
| 24 | V | 79.5 | Confident | 71.3 | Confident | 13 Ų | 13 | 94.7 Ų | 94.7 | 8% | 0.079 | 56% | 0.563 | C | S | . | * | trans | -72.3 | 105.8 | 170 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | L22 V26 S48 V123 N125 T131 G133 | L22-V24 PolarHBondContact O-N 2.67Å; V24-V26 HydrophobicContact CG1-CG2 4.28Å; V24-S48 WeakPolarHBondContact CA-O 3.09Å; V24-V123 HydrophobicContact CG1-CB 3.78Å; V24-V123 HydrophobicContact CG1-CG1 3.71Å; V24-N125 HydrophobicContact CG2-CB 3.85Å; V24-T131 WeakPolarHBondContact CG2-O 3.45Å; V24-G133 VanDerWaalsContact O-CA 3.26Å; V24-G133 WeakPolarHBondContact O-CA 3.5Å | ||
| 25 | E | 83.9 | Confident | 73.6 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.8 | 171.1 | -162.7 | -171.8 | -164.5 | 0 | 0 | 108.9 | A23 K27 Y47 S48 | A23-E25 PolarHBondContact O-N 2.77Å; E25-K27 WeakPolarHBondContact OE1-CE 3.49Å; E25-K27 IonicContact OE1-NZ 2.74Å; E25-K27 PolarHBondContact OE1-NZ 2.84Å; E25-K27 WeakPolarHBondContact OE2-CE 3.36Å; E25-K27 IonicContact OE2-NZ 2.86Å; E25-K27 PolarHBondContact OE2-NZ 2.86Å; E25-Y47 CarbonylContact O-C 3.57Å; E25-Y47 WeakPolarHBondContact O-CA 3.42Å; E25-S48 WeakPolarHBondContact CB-OG 3.36Å; E25-S48 PolarHBondContact O-N 3.03Å |
| 26 | V | 90.4 | Very high | 76.1 | Confident | 23 Ų | 23 | 87.4 Ų | 87.4 | 14% | 0.139 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133 | 171.5 | 173.4 | 0 | 0 | 0 | 0 | 109.2 | V24 V28 C45 T46 V123 | V24-V26 HydrophobicContact CG1-CG2 4.28Å; V26-V28 HydrophobicContact CG1-CG1 4.48Å; V26-C45 HydrophobicContact CG1-CB 4.05Å; V26-T46 CarbonylContact C-O 3.58Å; V26-T46 WeakPolarHBondContact CA-O 3.3Å; V26-V123 HydrophobicContact CG2-CB 3.98Å; V26-V123 HydrophobicContact CG2-CG2 3.9Å |
| 27 | K | 92.3 | Very high | 78.4 | Confident | 109 Ų | 109 | 83.9 Ų | 83.9 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 142 | 178.7 | -76.1 | 163.5 | 173.7 | 146.9 | 0 | 109.6 | E25 C45 T46 | E25-K27 WeakPolarHBondContact OE1-CE 3.49Å; E25-K27 IonicContact OE1-NZ 2.74Å; E25-K27 PolarHBondContact OE1-NZ 2.84Å; E25-K27 WeakPolarHBondContact OE2-CE 3.36Å; E25-K27 IonicContact OE2-NZ 2.86Å; E25-K27 PolarHBondContact OE2-NZ 2.86Å; K27-C45 CarbonylContact O-C 3.6Å; K27-C45 WeakPolarHBondContact O-CA 3.43Å; K27-T46 PolarHBondContact N-O 3.16Å; K27-T46 PolarHBondContact O-N 3.4Å |
| 28 | V | 94.7 | Very high | 80.9 | Confident | 46 Ų | 46 | 78.2 Ų | 78.2 | 28% | 0.279 | 48% | 0.477 | S | S | . | . | trans | -137.2 | 158.4 | -177.9 | -70.8 | 0 | 0 | 0 | 0 | 109.8 | V26 T30 C45 I137 | V26-V28 HydrophobicContact CG1-CG1 4.48Å; V28-T30 PolarHBondContact O-N 2.8Å; V28-C45 HydrophobicContact CG1-CB 3.93Å; V28-I137 HydrophobicContact CB-CD1 4.32Å; V28-I137 HydrophobicContact CB-CG1 3.87Å; V28-I137 HydrophobicContact CG1-CD1 3.91Å; V28-I137 HydrophobicContact CG1-CG1 3.7Å | ||
| 29 | P | 91.6 | Very high | 83.5 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | trans | -53.5 | 135.6 | 171.1 | -26.7 | 34.8 | 0 | 0 | 0 | 111.9 | E31 T44 | P29-E31 VanDerWaalsContact C-N 3.34Å; P29-T44 WeakPolarHBondContact CD-O 3.27Å | ||
| 30 | T | 87.6 | Confident | 86 | Confident | 144 Ų | 144 | 74.3 Ų | 74.3 | 88% | 0.883 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -77.6 | -21 | 175.9 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | V28 | V28-T30 PolarHBondContact O-N 2.8Š|
| 31 | E | 89.9 | Confident | 88.1 | Confident | 159 Ų | 159 | 69.2 Ų | 69.2 | 74% | 0.743 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -90.5 | 140.9 | 177.8 | -64.8 | -175.2 | 177.3 | 0 | 0 | 111.1 | P29 L33 | P29-E31 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 2.86Å |
| 32 | P | 86.8 | Confident | 90.2 | Very high | 93 Ų | 93 | 70.5 Ų | 70.5 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 126.2 | 179.2 | 28.8 | -34.1 | 0 | 0 | 0 | 110.9 | ||
| 33 | L | 95.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 66.5 Ų | 66.5 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 136.6 | -179.1 | -175.1 | 62.6 | 0 | 0 | 0 | 110.6 | E31 A41 L43 I137 N138 L139 T140 | E31-L33 PolarHBondContact O-N 2.86Å; L33-A41 HydrophobicContact CD2-CB 4.49Å; L33-L43 HydrophobicContact CD2-CG 3.91Å; L33-I137 HydrophobicContact CB-CG2 4.41Å; L33-N138 PolarHBondContact N-O 2.86Å; L33-L139 HydrophobicContact CB-CD1 4.33Å; L33-L139 HydrophobicContact CD2-CD1 4.01Å; L33-L139 HydrophobicContact CG-CD1 3.93Å; L33-L139 CarbonylContact O-C 3.54Å; L33-L139 WeakPolarHBondContact O-CA 3.41Å; L33-T140 PolarHBondContact O-N 2.88Å |
| 34 | S | 96.9 | Very high | 93.6 | Very high | 56 Ų | 56 | 65.2 Ų | 65.2 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.2 | 174.5 | -68.7 | 0 | 0 | 0 | 0 | 110.5 | T140 | S34-T140 WeakPolarHBondContact CA-O 3.42Å |
| 35 | T | 98 | Very high | 94.2 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 127.6 | -178 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | K39 T40 A41 V111 T140 V141 L142 | T35-K39 HydrophobicContact CG2-CB 3.94Å; T35-T40 WeakPolarHBondContact CG2-O 3.25Å; T35-A41 HydrophobicContact CG2-CB 4.09Å; T35-V111 HydrophobicContact CG2-CG1 4.49Å; T35-V111 HydrophobicContact CG2-CG2 3.76Å; T35-T140 PolarHBondContact N-O 2.86Å; T35-V141 CarbonylContact O-C 3.57Å; T35-V141 VanDerWaalsContact O-CA 3.29Å; T35-V141 WeakPolarHBondContact O-CA 3.44Å; T35-L142 PolarHBondContact O-N 2.83Å |
| 36 | P | 98.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 148.8 | 178 | -21.5 | 33.1 | 0 | 0 | 0 | 113.9 | G38 K39 V111 M223 | P36-G38 PolarHBondContact O-N 3.35Å; P36-K39 HydrophobicContact CB-CG 3.94Å; P36-K39 HydrophobicContact CG-CG 4.41Å; P36-K39 VanDerWaalsContact O-CB 3.26Å; P36-K39 WeakPolarHBondContact O-CB 3.48Å; P36-K39 WeakPolarHBondContact O-CG 3.25Å; P36-K39 PolarHBondContact O-N 3.29Å; P36-K39 VanDerWaalsContact O-N 3.08Å; P36-V111 WeakPolarHBondContact O-CG2 3.28Å; P36-M223 HydrophobicContact CB-SD 4.07Å; P36-M223 HydrophobicContact CG-SD 3.99Å |
| 37 | L | 97.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 42% | 0.424 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | 133.7 | 173.8 | -175.3 | 70 | 0 | 0 | 0 | 112.6 | K39 P113 V141 L142 | L37-K39 PolarHBondContact O-N 3.02Å; L37-P113 HydrophobicContact CD1-CG 4.05Å; L37-V141 HydrophobicContact CD1-CG1 4.49Å; L37-L142 PolarHBondContact N-O 2.96Å |
| 38 | G | 97.1 | Very high | 94.2 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 6.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P36 V111 | P36-G38 PolarHBondContact O-N 3.35Å; G38-V111 PolarHBondContact N-O 3.23Å |
| 39 | K | 98.1 | Very high | 93.4 | Very high | 131 Ų | 131 | 59 Ų | 59 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -90.1 | -175.5 | 170.1 | -54.9 | -55.2 | -179.8 | -172.1 | 0 | 110.7 | T35 P36 L37 D110 V111 | T35-K39 HydrophobicContact CG2-CB 3.94Å; P36-K39 HydrophobicContact CB-CG 3.94Å; P36-K39 HydrophobicContact CG-CG 4.41Å; P36-K39 VanDerWaalsContact O-CB 3.26Å; P36-K39 WeakPolarHBondContact O-CB 3.48Å; P36-K39 WeakPolarHBondContact O-CG 3.25Å; P36-K39 PolarHBondContact O-N 3.29Å; P36-K39 VanDerWaalsContact O-N 3.08Å; L37-K39 PolarHBondContact O-N 3.02Å; K39-D110 WeakPolarHBondContact O-CA 3.28Å; K39-D110 PolarHBondContact O-N 3Å; K39-V111 PolarHBondContact O-N 3.18Å |
| 40 | T | 98.2 | Very high | 92.4 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | trans | -103.9 | 131.6 | 174.1 | -59.9 | 0 | 0 | 0 | 0 | 108.9 | T35 E42 K107 L108 T109 | T35-T40 WeakPolarHBondContact CG2-O 3.25Å; T40-E42 HydrophobicContact CG2-CG 4.17Å; T40-K107 HydrophobicContact CG2-CD 4.29Å; T40-K107 HydrophobicContact CG2-CG 3.49Å; T40-K107 VanDerWaalsContact CG2-CG 3.49Å; T40-L108 CarbonylContact C-O 3.59Å; T40-L108 VanDerWaalsContact CA-O 3.31Å; T40-L108 WeakPolarHBondContact CA-O 3.43Å; T40-L108 WeakPolarHBondContact CG2-O 3.43Å; T40-T109 HydrophobicContact CG2-CG2 4.14Å | ||
| 41 | A | 98 | Very high | 91.5 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | L33 T35 L43 L108 V111 L139 | L33-A41 HydrophobicContact CD2-CB 4.49Å; T35-A41 HydrophobicContact CG2-CB 4.09Å; A41-L43 HydrophobicContact CB-CD1 3.91Å; A41-L108 PolarHBondContact N-O 3.17Å; A41-L108 PolarHBondContact O-N 3.07Å; A41-V111 HydrophobicContact CB-CG1 3.86Å; A41-L139 HydrophobicContact CB-CD1 3.97Å; A41-L139 HydrophobicContact CB-CD2 3.86Å |
| 42 | E | 97.6 | Very high | 90.5 | Very high | 85 Ų | 85 | 48.1 Ų | 48.1 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 101.3 | 177.6 | -64.5 | -169.1 | 164.7 | 0 | 0 | 108.7 | T40 T105 L106 K107 | T40-E42 HydrophobicContact CG2-CG 4.17Å; E42-T105 HydrophobicContact CB-CG2 3.94Å; E42-L106 WeakPolarHBondContact CA-O 3.39Å; E42-K107 HydrophobicContact CG-CG 4.27Å; E42-K107 WeakPolarHBondContact OE1-CE 3.23Å; E42-K107 IonicContact OE1-NZ 3.66Å |
| 43 | L | 97.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 106.7 | -174.8 | -58.7 | 85.3 | 0 | 0 | 0 | 108.1 | L33 A41 W59 T105 L106 L108 Y119 I137 L139 | L33-L43 HydrophobicContact CD2-CG 3.91Å; A41-L43 HydrophobicContact CB-CD1 3.91Å; L43-W59 HydrophobicContact CB-CH2 3.71Å; L43-W59 HydrophobicContact CB-CZ3 3.86Å; L43-W59 HydrophobicContact CD2-CZ3 4.35Å; L43-W59 WeakPolarHBondContact O-CH2 3.49Å; L43-W59 VanDerWaalsContact O-CZ2 3.31Å; L43-W59 WeakPolarHBondContact O-CZ2 3.35Å; L43-T105 CarbonylContact O-C 3.52Å; L43-T105 WeakPolarHBondContact O-CA 3.49Å; L43-L106 HydrophobicContact CB-CB 4.32Å; L43-L106 HydrophobicContact CD1-CD2 4.35Å; L43-L106 PolarHBondContact N-O 2.91Å; L43-L106 PolarHBondContact O-N 2.82Å; L43-L108 HydrophobicContact CD1-CB 4.43Å; L43-Y119 HydrophobicContact CD2-CD1 3.84Å; L43-Y119 HydrophobicContact CD2-CD2 3.57Å; L43-Y119 HydrophobicContact CD2-CE1 4.47Å; L43-Y119 HydrophobicContact CD2-CE2 4.27Å; L43-Y119 HydrophobicContact CD2-CG 3.35Å; L43-I137 HydrophobicContact CB-CD1 4.07Å; L43-I137 HydrophobicContact CD2-CB 4.4Å; L43-I137 HydrophobicContact CD2-CG2 4.02Å; L43-I137 HydrophobicContact CG-CG2 4.43Å; L43-L139 HydrophobicContact CD2-CB 4.47Å |
| 44 | T | 95.6 | Very high | 88.8 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.4 | -177 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | P29 T46 V103 T105 I137 | P29-T44 WeakPolarHBondContact CD-O 3.27Å; T44-T46 HydrophobicContact CG2-CG2 4.37Å; T44-V103 HydrophobicContact CG2-CG1 4.15Å; T44-T105 WeakPolarHBondContact CG2-OG1 3.49Å; T44-T105 VanDerWaalsContact OG1-CG2 3.32Å; T44-T105 WeakPolarHBondContact OG1-CG2 3.38Å; T44-T105 PolarHBondContact OG1-OG1 2.88Å; T44-I137 WeakPolarHBondContact O-CD1 3.13Å |
| 45 | C | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.5 | 157.8 | 53.1 | 0 | 0 | 0 | 0 | 109.3 | V26 K27 V28 W59 A104 C121 | V26-C45 HydrophobicContact CG1-CB 4.05Å; K27-C45 CarbonylContact O-C 3.6Å; K27-C45 WeakPolarHBondContact O-CA 3.43Å; V28-C45 HydrophobicContact CG1-CB 3.93Å; C45-W59 HydrophobicContact CB-CZ2 4.47Å; C45-W59 WeakPolarHBondContact SG-CZ2 3.43Å; C45-A104 PolarHBondContact N-O 2.97Å; C45-A104 PolarHBondContact O-N 2.86Å; C45-A104 PolarHBondContact SG-O 2.87Å; C45-A104 VanDerWaalsContact SG-O 3.38Å; C45-C121 HydrophobicContact CB-CB 3.59Å; C45-C121 WeakPolarHBondContact CB-SG 3.43Å; C45-C121 WeakPolarHBondContact SG-CB 3.32Å; C45-C121 CovalentContact SG-SG 2.03Å; C45-C121 PolarHBondContact SG-SG 2.83Å |
| 46 | T | 92.9 | Very high | 87.8 | Confident | 59 Ų | 59 | 48.7 Ų | 48.7 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 150 | 167.8 | 60 | 0 | 0 | 0 | 0 | 109.2 | V26 K27 T44 G102 V103 | V26-T46 CarbonylContact C-O 3.58Å; V26-T46 WeakPolarHBondContact CA-O 3.3Å; K27-T46 PolarHBondContact N-O 3.16Å; K27-T46 PolarHBondContact O-N 3.4Å; T44-T46 HydrophobicContact CG2-CG2 4.37Å; T46-G102 CarbonylContact C-O 3.55Å; T46-G102 WeakPolarHBondContact CA-O 3.46Å; T46-G102 VanDerWaalsContact CB-O 3.29Å; T46-G102 WeakPolarHBondContact CB-O 2.92Å; T46-V103 HydrophobicContact CG2-CG2 4.22Å |
| 47 | Y | 89.4 | Confident | 87.5 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 7% | 0.071 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161.3 | -172.3 | 60.5 | -84.6 | 0 | 0 | 0 | 112.5 | E25 T49 F55 T100 G102 A104 V123 | E25-Y47 CarbonylContact O-C 3.57Å; E25-Y47 WeakPolarHBondContact O-CA 3.42Å; Y47-T49 HydrophobicContact CD2-CG2 4.17Å; Y47-T49 HydrophobicContact CE2-CG2 3.95Å; Y47-F55 HydrophobicContact CE2-CD2 4.32Å; Y47-F55 HydrophobicContact CE2-CE2 4.3Å; Y47-F55 HydrophobicContact CE2-CG 4.45Å; Y47-F55 HydrophobicContact CE2-CZ 4.41Å; Y47-F55 WeakPolarHBondContact OH-CE2 3.03Å; Y47-F55 WeakPolarHBondContact OH-CZ 3.23Å; Y47-T100 PolarHBondContact OH-O 2.02Å; Y47-T100 VanDerWaalsContact OH-O 3.08Å; Y47-G102 VanDerWaalsContact CZ-N 3.26Å; Y47-G102 PolarHBondContact N-O 2.92Å; Y47-G102 WeakPolarHBondContact O-CA 3.43Å; Y47-G102 PolarHBondContact OH-N 3.02Å; Y47-A104 HydrophobicContact CD1-CB 4.43Å; Y47-A104 HydrophobicContact CE1-CB 3.91Å; Y47-V123 HydrophobicContact CD1-CG2 4.12Å; Y47-V123 HydrophobicContact CD2-CG1 3.87Å; Y47-V123 HydrophobicContact CD2-CG2 4.37Å; Y47-V123 HydrophobicContact CE2-CG1 4.33Å; Y47-V123 HydrophobicContact CG-CG1 4.25Å; Y47-V123 HydrophobicContact CG-CG2 3.94Å |
| 48 | S | 84.5 | Confident | 87.3 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.1 | 167.8 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | V24 E25 | V24-S48 WeakPolarHBondContact CA-O 3.09Å; E25-S48 WeakPolarHBondContact CB-OG 3.36Å; E25-S48 PolarHBondContact O-N 3.03Å |
| 49 | T | 76.2 | Confident | 87.3 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 17% | 0.172 | 25% | 0.25 | C | C | . | . | trans | -124.5 | 136.2 | 179.6 | 160.4 | 0 | 0 | 0 | 0 | 109 | Y47 V51 G52 V101 | Y47-T49 HydrophobicContact CD2-CG2 4.17Å; Y47-T49 HydrophobicContact CE2-CG2 3.95Å; T49-V51 WeakPolarHBondContact OG1-CG2 3.46Å; T49-V51 PolarHBondContact OG1-N 2.84Å; T49-G52 WeakPolarHBondContact CG2-O 3.34Å; T49-G52 PolarHBondContact OG1-O 2.92Å; T49-V101 HydrophobicContact CG2-CG1 4.25Å | ||
| 50 | S | 71.7 | Confident | 87.2 | Confident | 65 Ų | 65 | 36.7 Ų | 36.7 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -85.3 | -9.5 | 178.8 | 44.6 | 0 | 0 | 0 | 0 | 113.7 | L22 | L22-S50 WeakPolarHBondContact CD2-OG 3.31Š|
| 51 | V | 67.5 | Low | 87.2 | Confident | 52 Ų | 52 | 34.9 Ų | 34.9 | 32% | 0.315 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -110.2 | 8.3 | -175.2 | -59.2 | 0 | 0 | 0 | 0 | 114.3 | T49 D53 N125 | T49-V51 WeakPolarHBondContact OG1-CG2 3.46Å; T49-V51 PolarHBondContact OG1-N 2.84Å; V51-D53 PolarHBondContact O-N 3.07Å; V51-N125 WeakPolarHBondContact CG1-OD1 3.4Å; V51-N125 WeakPolarHBondContact CG2-OD1 3.46Å |
| 52 | G | 69.2 | Low | 87.2 | Confident | 33 Ų | 33 | 35 Ų | 35 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -128.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T49 S54 F55 | T49-G52 WeakPolarHBondContact CG2-O 3.34Å; T49-G52 PolarHBondContact OG1-O 2.92Å; G52-S54 VanDerWaalsContact C-N 3.26Å; G52-S54 PolarHBondContact O-N 3.48Å; G52-F55 WeakPolarHBondContact O-CD1 3.46Å |
| 53 | D | 70.6 | Confident | 87.1 | Confident | 128 Ų | 128 | 36.9 Ų | 36.9 | 68% | 0.684 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9.7 | -171.7 | -56.5 | -40.7 | 0 | 0 | 0 | 114.7 | V51 F55 V101 | V51-D53 PolarHBondContact O-N 3.07Å; D53-F55 WeakPolarHBondContact O-CD1 3.48Å; D53-F55 PolarHBondContact O-N 2.83Å; D53-V101 VanDerWaalsContact OD1-CG2 3.31Å; D53-V101 WeakPolarHBondContact OD1-CG2 3.19Å |
| 54 | S | 77.1 | Confident | 87 | Confident | 83 Ų | 83 | 41 Ų | 41 | 58% | 0.58 | 25% | 0.247 | S | C | * | . | trans | -79.6 | 29 | -173.2 | -52.9 | 0 | 0 | 0 | 0 | 114.8 | G52 P126 | G52-S54 VanDerWaalsContact C-N 3.26Å; G52-S54 PolarHBondContact O-N 3.48Å; S54-P126 WeakPolarHBondContact O-CD 3.48Å | ||
| 55 | F | 84.6 | Confident | 87 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | trans | -92.6 | 164.9 | -175.9 | 65.7 | -84.8 | 0 | 0 | 0 | 113.2 | Y47 G52 D53 L57 F77 P99 | Y47-F55 HydrophobicContact CE2-CD2 4.32Å; Y47-F55 HydrophobicContact CE2-CE2 4.3Å; Y47-F55 HydrophobicContact CE2-CG 4.45Å; Y47-F55 HydrophobicContact CE2-CZ 4.41Å; Y47-F55 WeakPolarHBondContact OH-CE2 3.03Å; Y47-F55 WeakPolarHBondContact OH-CZ 3.23Å; G52-F55 WeakPolarHBondContact O-CD1 3.46Å; D53-F55 WeakPolarHBondContact O-CD1 3.48Å; D53-F55 PolarHBondContact O-N 2.83Å; F55-L57 HydrophobicContact CD2-CB 4.46Å; F55-L57 HydrophobicContact CE2-CB 4.37Å; F55-F77 AromaticContact CE2-CD1 4Å; F55-F77 HydrophobicContact CE2-CD1 4Å; F55-F77 AromaticContact CE2-CE1 3.91Å; F55-F77 HydrophobicContact CE2-CE1 3.91Å; F55-F77 HydrophobicContact CZ-CD1 4.49Å; F55-F77 AromaticContact CZ-CE1 3.96Å; F55-F77 HydrophobicContact CZ-CE1 3.96Å; F55-P99 HydrophobicContact CE2-CG 3.97Å; F55-P99 HydrophobicContact CZ-CG 3.94Å | ||
| 56 | A | 88.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y76 F77 N124 P126 | A56-Y76 HydrophobicContact CB-CE2 4.32Å; A56-F77 WeakPolarHBondContact CA-O 3.1Å; A56-N124 HydrophobicContact CB-CB 4.44Å; A56-N124 PolarHBondContact N-O 2.93Å; A56-N124 PolarHBondContact O-N 3.27Å; A56-P126 HydrophobicContact CB-CG 4.17Å |
| 57 | L | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.2 | -178.7 | 165.4 | 73.5 | 0 | 0 | 0 | 109.4 | F55 Y76 F77 L94 P99 A104 Q122 V123 | F55-L57 HydrophobicContact CD2-CB 4.46Å; F55-L57 HydrophobicContact CE2-CB 4.37Å; L57-Y76 CarbonylContact O-C 3.59Å; L57-Y76 WeakPolarHBondContact O-CA 3.15Å; L57-Y76 WeakPolarHBondContact O-CD2 3.38Å; L57-F77 HydrophobicContact CB-CB 4.25Å; L57-F77 HydrophobicContact CB-CD1 4.5Å; L57-F77 PolarHBondContact N-O 2.84Å; L57-F77 PolarHBondContact O-N 3.2Å; L57-L94 HydrophobicContact CD2-CD1 4.01Å; L57-L94 HydrophobicContact CD2-CD2 4.17Å; L57-P99 HydrophobicContact CD2-CB 4.44Å; L57-P99 HydrophobicContact CD2-CG 4.13Å; L57-A104 HydrophobicContact CD1-CB 4.11Å; L57-A104 HydrophobicContact CD2-CB 3.62Å; L57-Q122 WeakPolarHBondContact CA-O 3.42Å; L57-V123 HydrophobicContact CD1-CG2 3.9Å |
| 58 | E | 93.9 | Very high | 87.4 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.3 | 169.6 | -167.6 | -172.8 | 125.6 | 0 | 0 | 110.4 | S60 P73 Y76 Q122 | E58-S60 WeakPolarHBondContact OE1-CB 3.33Å; E58-S60 PolarHBondContact OE1-OG 3.07Å; E58-P73 HydrophobicContact CG-CB 4.37Å; E58-Y76 HydrophobicContact CB-CD2 4.05Å; E58-Y76 HydrophobicContact CG-CD2 4.31Å; E58-Q122 HydrophobicContact CB-CB 4.44Å; E58-Q122 PolarHBondContact N-O 2.86Å; E58-Q122 PolarHBondContact O-N 3.2Å |
| 59 | W | 96.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.5 | 161.6 | -78.4 | 88.3 | 0 | 0 | 0 | 110 | L43 C45 I74 L75 L106 L120 C121 I137 | L43-W59 HydrophobicContact CB-CH2 3.71Å; L43-W59 HydrophobicContact CB-CZ3 3.86Å; L43-W59 HydrophobicContact CD2-CZ3 4.35Å; L43-W59 WeakPolarHBondContact O-CH2 3.49Å; L43-W59 VanDerWaalsContact O-CZ2 3.31Å; L43-W59 WeakPolarHBondContact O-CZ2 3.35Å; C45-W59 HydrophobicContact CB-CZ2 4.47Å; C45-W59 WeakPolarHBondContact SG-CZ2 3.43Å; W59-I74 HydrophobicContact CB-CG1 4.17Å; W59-I74 WeakPolarHBondContact O-CG1 3.36Å; W59-I74 PolarHBondContact O-N 2.84Å; W59-L75 HydrophobicContact CB-CB 4.28Å; W59-L75 HydrophobicContact CB-CD2 4.27Å; W59-L75 HydrophobicContact CG-CD2 4.34Å; W59-L75 PolarHBondContact N-O 2.96Å; W59-L75 PolarHBondContact O-N 2.85Å; W59-L106 HydrophobicContact CB-CD1 4.43Å; W59-L106 HydrophobicContact CB-CD2 4.19Å; W59-L106 HydrophobicContact CD2-CB 3.63Å; W59-L106 HydrophobicContact CD2-CD2 3.74Å; W59-L106 HydrophobicContact CD2-CG 4.18Å; W59-L106 VanDerWaalsContact CE2-CB 3.5Å; W59-L106 HydrophobicContact CE3-CB 3.98Å; W59-L106 HydrophobicContact CE3-CD2 3.54Å; W59-L106 HydrophobicContact CE3-CG 4.36Å; W59-L106 HydrophobicContact CG-CB 4.12Å; W59-L106 HydrophobicContact CG-CD1 4.27Å; W59-L106 HydrophobicContact CG-CD2 4.05Å; W59-L106 HydrophobicContact CG-CG 4.38Å; W59-L106 HydrophobicContact CH2-CB 3.99Å; W59-L106 HydrophobicContact CZ2-CB 3.67Å; W59-L106 HydrophobicContact CZ3-CB 4.15Å; W59-L106 HydrophobicContact CZ3-CD2 4.1Å; W59-L120 VanDerWaalsContact CA-O 3.3Å; W59-L120 WeakPolarHBondContact CA-O 3.37Å; W59-C121 HydrophobicContact CD2-CB 4.14Å; W59-C121 HydrophobicContact CE3-CB 4.09Å; W59-C121 HydrophobicContact CH2-CB 3.73Å; W59-C121 HydrophobicContact CZ2-CB 3.73Å; W59-C121 HydrophobicContact CZ3-CB 3.89Å; W59-I137 HydrophobicContact CH2-CD1 3.8Å; W59-I137 HydrophobicContact CZ3-CD1 4.14Å |
| 60 | S | 96.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 154.8 | -176.5 | -114.6 | 0 | 0 | 0 | 0 | 110.7 | E58 H72 P73 Y119 L120 | E58-S60 WeakPolarHBondContact OE1-CB 3.33Å; E58-S60 PolarHBondContact OE1-OG 3.07Å; S60-H72 CarbonylContact C-O 3.56Å; S60-H72 WeakPolarHBondContact CA-O 3.27Å; S60-H72 VanDerWaalsContact OG-C 3.24Å; S60-H72 PolarHBondContact OG-O 2.85Å; S60-P73 VanDerWaalsContact OG-CA 3.28Å; S60-P73 WeakPolarHBondContact OG-CA 3.18Å; S60-Y119 CarbonylContact O-C 3.59Å; S60-Y119 WeakPolarHBondContact O-CA 3.48Å; S60-L120 PolarHBondContact N-O 3.3Å; S60-L120 PolarHBondContact O-N 2.75Å |
| 61 | F | 97.5 | Very high | 90 | Very high | 20 Ų | 20 | 55 Ų | 55 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.6 | -174.8 | 173 | -104.2 | 0 | 0 | 0 | 112.7 | Q63 S71 H72 I74 Y119 | F61-Q63 HydrophobicContact CE1-CG 3.93Å; F61-Q63 HydrophobicContact CZ-CG 4.43Å; F61-S71 WeakPolarHBondContact O-CA 3.4Å; F61-H72 PolarHBondContact N-O 3.44Å; F61-H72 PolarHBondContact O-N 2.82Å; F61-I74 HydrophobicContact CB-CD1 4.34Å; F61-I74 HydrophobicContact CB-CG2 3.98Å; F61-Y119 HydrophobicContact CB-CE1 4.46Å; F61-Y119 HydrophobicContact CD2-CD1 4.12Å; F61-Y119 HydrophobicContact CD2-CD2 4.03Å; F61-Y119 AromaticContact CD2-CE1 3.69Å; F61-Y119 HydrophobicContact CD2-CE1 3.69Å; F61-Y119 AromaticContact CD2-CE2 3.56Å; F61-Y119 HydrophobicContact CD2-CE2 3.56Å; F61-Y119 HydrophobicContact CD2-CG 4.27Å; F61-Y119 AromaticContact CD2-CZ 3.36Å; F61-Y119 HydrophobicContact CE2-CD2 4.39Å; F61-Y119 HydrophobicContact CE2-CE1 4.39Å; F61-Y119 AromaticContact CE2-CE2 3.63Å; F61-Y119 HydrophobicContact CE2-CE2 3.63Å; F61-Y119 AromaticContact CE2-CZ 3.62Å; F61-Y119 HydrophobicContact CG-CE1 4.42Å |
| 62 | V | 97.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | K66 G117 T118 L120 | V62-K66 HydrophobicContact CG1-CB 3.91Å; V62-K66 WeakPolarHBondContact CG1-O 3.49Å; V62-G117 WeakPolarHBondContact O-CA 3.46Å; V62-T118 PolarHBondContact N-O 2.95Å; V62-T118 PolarHBondContact O-N 2.93Å; V62-L120 HydrophobicContact CG2-CD1 3.64Å |
| 63 | Q | 95.9 | Very high | 92.5 | Very high | 124 Ų | 124 | 60 Ų | 60 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | trans | -72 | 150.1 | 176.6 | -70.6 | -176.6 | -6.9 | 0 | 0 | 112 | F61 G65 K66 | F61-Q63 HydrophobicContact CE1-CG 3.93Å; F61-Q63 HydrophobicContact CZ-CG 4.43Å; Q63-G65 PolarHBondContact O-N 2.86Å; Q63-K66 HydrophobicContact CB-CG 4.1Å; Q63-K66 WeakPolarHBondContact O-CB 3.43Å; Q63-K66 PolarHBondContact O-N 2.93Å | ||
| 64 | P | 95.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 57% | 0.571 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 128.1 | 176.7 | -25.8 | 33.8 | 0 | 0 | 0 | 112.4 | K66 T116 | P64-K66 VanDerWaalsContact C-N 3.32Å; P64-K66 PolarHBondContact O-N 2.85Å; P64-T116 VanDerWaalsContact CD-O 3.26Å; P64-T116 WeakPolarHBondContact CD-O 3.43Å; P64-T116 HydrophobicContact CG-CG2 4.14Å; P64-T116 WeakPolarHBondContact CG-O 3.37Å |
| 65 | G | 94.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 50.3 Ų | 50.3 | 89% | 0.887 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 3.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q63 | Q63-G65 PolarHBondContact O-N 2.86Š|
| 66 | K | 96.4 | Very high | 95.1 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 41% | 0.409 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -92.3 | 150.4 | 168.6 | -67.1 | -43.7 | -155.1 | 94.8 | 0 | 112.1 | V62 Q63 P64 E70 | V62-K66 HydrophobicContact CG1-CB 3.91Å; V62-K66 WeakPolarHBondContact CG1-O 3.49Å; Q63-K66 HydrophobicContact CB-CG 4.1Å; Q63-K66 WeakPolarHBondContact O-CB 3.43Å; Q63-K66 PolarHBondContact O-N 2.93Å; P64-K66 VanDerWaalsContact C-N 3.32Å; P64-K66 PolarHBondContact O-N 2.85Å; K66-E70 HydrophobicContact CB-CB 4.31Å; K66-E70 IonicContact NZ-OE1 2.81Å; K66-E70 PolarHBondContact NZ-OE1 2.92Å; K66-E70 IonicContact NZ-OE2 2.6Å; K66-E70 PolarHBondContact NZ-OE2 3.44Å |
| 67 | P | 96.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 54 Ų | 54 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | trans | -70 | 156.2 | 174.8 | 31.9 | -36 | 0 | 0 | 0 | 110.8 | S69 E70 | P67-S69 PolarHBondContact O-N 2.92Å; P67-S69 VanDerWaalsContact O-N 3.13Å; P67-E70 WeakPolarHBondContact CD-OE1 3.32Å; P67-E70 HydrophobicContact CG-CB 4.48Å; P67-E70 HydrophobicContact CG-CG 3.99Å; P67-E70 PolarHBondContact O-N 3.5Å | ||
| 68 | I | 93.7 | Very high | 95.1 | Very high | 83 Ų | 83 | 55 Ų | 55 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -59.7 | -27.8 | -179.3 | -59.2 | 178.2 | 0 | 0 | 0 | 111.7 | E70 S71 L120 L136 | I68-E70 PolarHBondContact O-N 3.07Å; I68-S71 WeakPolarHBondContact O-CB 3.44Å; I68-S71 PolarHBondContact O-N 3.3Å; I68-S71 PolarHBondContact O-OG 3.41Å; I68-S71 VanDerWaalsContact O-OG 3.12Å; I68-L120 HydrophobicContact CG2-CD2 3.89Å; I68-L120 HydrophobicContact CG2-CG 4.46Å; I68-L136 HydrophobicContact CD1-CD1 3.78Å; I68-L136 HydrophobicContact CD1-CD2 4.41Å |
| 69 | S | 93.8 | Very high | 94.7 | Very high | 110 Ų | 110 | 60 Ų | 60 | 77% | 0.769 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -67.7 | -9.1 | 174.1 | 57.8 | 0 | 0 | 0 | 0 | 115.3 | P67 S71 | P67-S69 PolarHBondContact O-N 2.92Å; P67-S69 VanDerWaalsContact O-N 3.13Å; S69-S71 VanDerWaalsContact C-N 3.31Å |
| 70 | E | 95.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -94.7 | 21 | 168.2 | -70.8 | -170.2 | -127.7 | 0 | 0 | 112.1 | K66 P67 I68 H72 | K66-E70 HydrophobicContact CB-CB 4.31Å; K66-E70 IonicContact NZ-OE1 2.81Å; K66-E70 PolarHBondContact NZ-OE1 2.92Å; K66-E70 IonicContact NZ-OE2 2.6Å; K66-E70 PolarHBondContact NZ-OE2 3.44Å; P67-E70 WeakPolarHBondContact CD-OE1 3.32Å; P67-E70 HydrophobicContact CG-CB 4.48Å; P67-E70 HydrophobicContact CG-CG 3.99Å; P67-E70 PolarHBondContact O-N 3.5Å; I68-E70 PolarHBondContact O-N 3.07Å; E70-H72 PolarHBondContact O-CE1 2.8Å; E70-H72 VanDerWaalsContact O-CE1 3.31Å; E70-H72 PolarHBondContact O-ND1 2.9Å |
| 71 | S | 95.4 | Very high | 93.8 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | trans | -66 | 138.3 | 174.3 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | F61 I68 S69 | F61-S71 WeakPolarHBondContact O-CA 3.4Å; I68-S71 WeakPolarHBondContact O-CB 3.44Å; I68-S71 PolarHBondContact O-N 3.3Å; I68-S71 PolarHBondContact O-OG 3.41Å; I68-S71 VanDerWaalsContact O-OG 3.12Å; S69-S71 VanDerWaalsContact C-N 3.31Å | ||
| 72 | H | 95 | Very high | 93.6 | Very high | 126 Ų | 126 | 68.5 Ų | 68.5 | 58% | 0.583 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.6 | 175.3 | -65.5 | 66 | 0 | 0 | 0 | 110.5 | S60 F61 E70 I74 | S60-H72 CarbonylContact C-O 3.56Å; S60-H72 WeakPolarHBondContact CA-O 3.27Å; S60-H72 VanDerWaalsContact OG-C 3.24Å; S60-H72 PolarHBondContact OG-O 2.85Å; F61-H72 PolarHBondContact N-O 3.44Å; F61-H72 PolarHBondContact O-N 2.82Å; E70-H72 PolarHBondContact O-CE1 2.8Å; E70-H72 VanDerWaalsContact O-CE1 3.31Å; E70-H72 PolarHBondContact O-ND1 2.9Å; H72-I74 PolarHBondContact O-N 2.94Å |
| 73 | P | 95.5 | Very high | 93.4 | Very high | 66 Ų | 66 | 72.5 Ų | 72.5 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.4 | 178.9 | 26 | -34 | 0 | 0 | 0 | 111 | E58 S60 T85 | E58-P73 HydrophobicContact CG-CB 4.37Å; S60-P73 VanDerWaalsContact OG-CA 3.28Å; S60-P73 WeakPolarHBondContact OG-CA 3.18Å; P73-T85 VanDerWaalsContact C-OG1 3.31Å; P73-T85 PolarHBondContact O-OG1 2.93Å; P73-T85 VanDerWaalsContact O-OG1 3.11Å |
| 74 | I | 96.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | -23.1 | 176.9 | 56.5 | 168.5 | 0 | 0 | 0 | 112.6 | W59 F61 H72 T85 K88 V92 L106 Y119 | W59-I74 HydrophobicContact CB-CG1 4.17Å; W59-I74 WeakPolarHBondContact O-CG1 3.36Å; W59-I74 PolarHBondContact O-N 2.84Å; F61-I74 HydrophobicContact CB-CD1 4.34Å; F61-I74 HydrophobicContact CB-CG2 3.98Å; H72-I74 PolarHBondContact O-N 2.94Å; I74-T85 WeakPolarHBondContact CA-OG1 3.49Å; I74-T85 PolarHBondContact N-OG1 3.37Å; I74-T85 PolarHBondContact O-N 3.5Å; I74-T85 PolarHBondContact O-OG1 3.44Å; I74-K88 HydrophobicContact CB-CB 4.39Å; I74-K88 HydrophobicContact CD1-CD 4.32Å; I74-K88 HydrophobicContact CG2-CB 4.22Å; I74-K88 HydrophobicContact CG2-CD 4.15Å; I74-K88 HydrophobicContact CG2-CG 4.17Å; I74-V92 HydrophobicContact CD1-CG1 4.26Å; I74-V92 WeakPolarHBondContact O-CG2 2.99Å; I74-L106 HydrophobicContact CD1-CD2 3.86Å; I74-Y119 HydrophobicContact CD1-CD1 3.76Å; I74-Y119 HydrophobicContact CD1-CE1 3.69Å |
| 75 | L | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 135.5 | 176.2 | 170.9 | 150.5 | 0 | 0 | 0 | 109.5 | W59 L82 T85 V92 L94 L106 | W59-L75 HydrophobicContact CB-CB 4.28Å; W59-L75 HydrophobicContact CB-CD2 4.27Å; W59-L75 HydrophobicContact CG-CD2 4.34Å; W59-L75 PolarHBondContact N-O 2.96Å; W59-L75 PolarHBondContact O-N 2.85Å; L75-L82 HydrophobicContact CD1-CD1 3.95Å; L75-L82 HydrophobicContact CD1-CD2 4.27Å; L75-L82 HydrophobicContact CD1-CG 4.35Å; L75-L82 HydrophobicContact CD2-CD1 3.81Å; L75-L82 HydrophobicContact CG-CD1 3.79Å; L75-L82 HydrophobicContact CG-CG 4.47Å; L75-T85 PolarHBondContact N-OG1 3.41Å; L75-V92 HydrophobicContact CB-CG2 4.16Å; L75-V92 HydrophobicContact CD1-CB 4.19Å; L75-V92 HydrophobicContact CD1-CG2 4.17Å; L75-L94 HydrophobicContact CD1-CD2 4.39Å; L75-L94 HydrophobicContact CD1-CG 4.26Å; L75-L94 HydrophobicContact CD2-CD1 4.43Å; L75-L94 HydrophobicContact CD2-CD2 3.81Å; L75-L94 HydrophobicContact CD2-CG 4.08Å; L75-L106 HydrophobicContact CB-CD1 4.4Å; L75-L106 HydrophobicContact CD1-CD1 3.94Å |
| 76 | Y | 94.1 | Very high | 93 | Very high | 82 Ų | 82 | 66 Ų | 66 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.8 | 177.5 | -179.1 | -117 | 0 | 0 | 0 | 110.4 | A56 L57 E58 T78 Y83 | A56-Y76 HydrophobicContact CB-CE2 4.32Å; L57-Y76 CarbonylContact O-C 3.59Å; L57-Y76 WeakPolarHBondContact O-CA 3.15Å; L57-Y76 WeakPolarHBondContact O-CD2 3.38Å; E58-Y76 HydrophobicContact CB-CD2 4.05Å; E58-Y76 HydrophobicContact CG-CD2 4.31Å; Y76-T78 HydrophobicContact CD1-CG2 4.14Å; Y76-T78 HydrophobicContact CE1-CG2 3.37Å; Y76-Y83 HydrophobicContact CD1-CD2 4.1Å; Y76-Y83 PolarHBondContact N-O 3.34Å; Y76-Y83 PolarHBondContact O-N 3.21Å |
| 77 | F | 91.8 | Very high | 92.7 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.035 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 128 | 176.3 | 172.6 | -91.4 | 0 | 0 | 0 | 109.9 | F55 A56 L57 G80 Q81 L82 P98 P99 | F55-F77 AromaticContact CE2-CD1 4Å; F55-F77 HydrophobicContact CE2-CD1 4Å; F55-F77 AromaticContact CE2-CE1 3.91Å; F55-F77 HydrophobicContact CE2-CE1 3.91Å; F55-F77 HydrophobicContact CZ-CD1 4.49Å; F55-F77 AromaticContact CZ-CE1 3.96Å; F55-F77 HydrophobicContact CZ-CE1 3.96Å; A56-F77 WeakPolarHBondContact CA-O 3.1Å; L57-F77 HydrophobicContact CB-CB 4.25Å; L57-F77 HydrophobicContact CB-CD1 4.5Å; L57-F77 PolarHBondContact N-O 2.84Å; L57-F77 PolarHBondContact O-N 3.2Å; F77-G80 VanDerWaalsContact CE2-C 3.49Å; F77-Q81 WeakPolarHBondContact CA-O 3.48Å; F77-Q81 WeakPolarHBondContact CD2-O 3.11Å; F77-L82 HydrophobicContact CB-CD1 3.93Å; F77-L82 HydrophobicContact CD2-CB 4.49Å; F77-L82 HydrophobicContact CD2-CD1 4.28Å; F77-P98 HydrophobicContact CE2-CB 4.02Å; F77-P98 HydrophobicContact CZ-CB 3.82Å; F77-P99 HydrophobicContact CD1-CG 3.82Å; F77-P99 HydrophobicContact CD2-CG 4.42Å; F77-P99 HydrophobicContact CE1-CG 3.86Å; F77-P99 HydrophobicContact CE2-CG 4.44Å; F77-P99 HydrophobicContact CG-CG 4.12Å; F77-P99 HydrophobicContact CZ-CG 4.18Å |
| 78 | T | 88.4 | Confident | 92.6 | Very high | 20 Ų | 20 | 64.4 Ų | 64.4 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 155 | 176.4 | -169.5 | 0 | 0 | 0 | 0 | 109.8 | Y76 G80 Q81 Y83 | Y76-T78 HydrophobicContact CD1-CG2 4.14Å; Y76-T78 HydrophobicContact CE1-CG2 3.37Å; T78-G80 PolarHBondContact O-N 3.27Å; T78-Q81 PolarHBondContact N-O 3.31Å; T78-Q81 VanDerWaalsContact N-O 3.1Å; T78-Q81 PolarHBondContact O-N 2.95Å; T78-Q81 VanDerWaalsContact O-O 3.13Å; T78-Y83 HydrophobicContact CG2-CE2 3.94Å |
| 79 | N | 85.2 | Confident | 92.5 | Very high | 152 Ų | 152 | 62.5 Ų | 62.5 | 81% | 0.813 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 32.1 | 176 | -56.7 | -37.2 | 0 | 0 | 0 | 114.3 | Q81 | N79-Q81 VanDerWaalsContact C-N 3.27Å; N79-Q81 PolarHBondContact O-N 2.96Å |
| 80 | G | 84.6 | Confident | 92.6 | Very high | 57 Ų | 57 | 66.8 Ų | 66.8 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -0.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | F77 T78 | F77-G80 VanDerWaalsContact CE2-C 3.49Å; T78-G80 PolarHBondContact O-N 3.27Å |
| 81 | Q | 89.4 | Confident | 92.6 | Very high | 111 Ų | 111 | 65.2 Ų | 65.2 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 144.3 | -177.6 | -174.4 | 171.9 | -3 | 0 | 0 | 112.7 | F77 T78 N79 Y83 | F77-Q81 WeakPolarHBondContact CA-O 3.48Å; F77-Q81 WeakPolarHBondContact CD2-O 3.11Å; T78-Q81 PolarHBondContact N-O 3.31Å; T78-Q81 VanDerWaalsContact N-O 3.1Å; T78-Q81 PolarHBondContact O-N 2.95Å; T78-Q81 VanDerWaalsContact O-O 3.13Å; N79-Q81 VanDerWaalsContact C-N 3.27Å; N79-Q81 PolarHBondContact O-N 2.96Å; Q81-Y83 HydrophobicContact CB-CE2 3.88Å; Q81-Y83 VanDerWaalsContact CD-CZ 3.46Å; Q81-Y83 HydrophobicContact CG-CE1 3.91Å; Q81-Y83 HydrophobicContact CG-CE2 3.9Å; Q81-Y83 WeakPolarHBondContact O-CE2 3.15Å; Q81-Y83 PolarHBondContact OE1-OH 2.93Å |
| 82 | L | 92.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 63.7 Ų | 63.7 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.5 | 178.9 | -167.6 | 66.8 | 0 | 0 | 0 | 111.7 | L75 F77 L94 | L75-L82 HydrophobicContact CD1-CD1 3.95Å; L75-L82 HydrophobicContact CD1-CD2 4.27Å; L75-L82 HydrophobicContact CD1-CG 4.35Å; L75-L82 HydrophobicContact CD2-CD1 3.81Å; L75-L82 HydrophobicContact CG-CD1 3.79Å; L75-L82 HydrophobicContact CG-CG 4.47Å; F77-L82 HydrophobicContact CB-CD1 3.93Å; F77-L82 HydrophobicContact CD2-CB 4.49Å; F77-L82 HydrophobicContact CD2-CD1 4.28Å; L82-L94 HydrophobicContact CD1-CD1 3.65Å; L82-L94 HydrophobicContact CD1-CG 3.96Å; L82-L94 HydrophobicContact CD2-CG 4.45Å |
| 83 | Y | 94.2 | Very high | 92.7 | Very high | 88 Ų | 88 | 59.7 Ų | 59.7 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 91.3 | -177.8 | -53.5 | -86.4 | 0 | 0 | 0 | 110.6 | Y76 T78 Q81 | Y76-Y83 HydrophobicContact CD1-CD2 4.1Å; Y76-Y83 PolarHBondContact N-O 3.34Å; Y76-Y83 PolarHBondContact O-N 3.21Å; T78-Y83 HydrophobicContact CG2-CE2 3.94Å; Q81-Y83 HydrophobicContact CB-CE2 3.88Å; Q81-Y83 VanDerWaalsContact CD-CZ 3.46Å; Q81-Y83 HydrophobicContact CG-CE1 3.91Å; Q81-Y83 HydrophobicContact CG-CE2 3.9Å; Q81-Y83 WeakPolarHBondContact O-CE2 3.15Å; Q81-Y83 PolarHBondContact OE1-OH 2.93Å |
| 84 | P | 94.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.6 | 170 | -22 | 35.3 | 0 | 0 | 0 | 111.8 | S89 V92 | P84-S89 WeakPolarHBondContact CB-O 3.44Å; P84-V92 HydrophobicContact CB-CG2 3.95Å |
| 85 | T | 93.5 | Very high | 92.4 | Very high | 48 Ų | 48 | 60.3 Ų | 60.3 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -133.2 | 168 | -171.8 | 50.4 | 0 | 0 | 0 | 0 | 113 | P73 I74 L75 S89 | P73-T85 VanDerWaalsContact C-OG1 3.31Å; P73-T85 PolarHBondContact O-OG1 2.93Å; P73-T85 VanDerWaalsContact O-OG1 3.11Å; I74-T85 WeakPolarHBondContact CA-OG1 3.49Å; I74-T85 PolarHBondContact N-OG1 3.37Å; I74-T85 PolarHBondContact O-N 3.5Å; I74-T85 PolarHBondContact O-OG1 3.44Å; L75-T85 PolarHBondContact N-OG1 3.41Å; T85-S89 WeakPolarHBondContact O-CB 3.33Å; T85-S89 PolarHBondContact O-N 2.9Å | ||
| 86 | G | 90.3 | Very high | 92.1 | Very high | 54 Ų | 54 | 63 Ų | 63 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | -160.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | K88 S89 | G86-K88 VanDerWaalsContact C-N 3.3Å; G86-K88 PolarHBondContact O-N 3.45Å; G86-S89 WeakPolarHBondContact O-CB 3.37Å; G86-S89 PolarHBondContact O-N 3.46Å; G86-S89 PolarHBondContact O-OG 3.04Å |
| 87 | S | 90.1 | Very high | 91.7 | Very high | 117 Ų | 117 | 63.8 Ų | 63.8 | 82% | 0.818 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.8 | -176.9 | 56 | 0 | 0 | 0 | 0 | 114.4 | ||
| 88 | K | 92.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 4% | 0.043 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -8.6 | 178.2 | -51.6 | -166.2 | -162.9 | -65.4 | 0 | 113.4 | I74 G86 K90 R91 V92 L108 S114 D115 Y119 | I74-K88 HydrophobicContact CB-CB 4.39Å; I74-K88 HydrophobicContact CD1-CD 4.32Å; I74-K88 HydrophobicContact CG2-CB 4.22Å; I74-K88 HydrophobicContact CG2-CD 4.15Å; I74-K88 HydrophobicContact CG2-CG 4.17Å; G86-K88 VanDerWaalsContact C-N 3.3Å; G86-K88 PolarHBondContact O-N 3.45Å; K88-K90 PolarHBondContact O-N 3.49Å; K88-R91 PolarHBondContact O-N 3.07Å; K88-V92 HydrophobicContact CB-CG1 3.91Å; K88-V92 PolarHBondContact O-N 2.92Å; K88-V92 VanDerWaalsContact O-N 3.15Å; K88-L108 HydrophobicContact CB-CD1 4.4Å; K88-L108 HydrophobicContact CD-CD1 4.25Å; K88-S114 PolarHBondContact NZ-O 2.74Å; K88-D115 IonicContact NZ-OD1 2.79Å; K88-D115 PolarHBondContact NZ-OD1 2.97Å; K88-Y119 HydrophobicContact CD-CE1 4.45Å; K88-Y119 WeakPolarHBondContact CE-OH 3.48Å |
| 89 | S | 92.6 | Very high | 91.2 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.5 | -38.5 | -177.8 | 49.6 | 0 | 0 | 0 | 0 | 116.6 | P84 T85 G86 R91 | P84-S89 WeakPolarHBondContact CB-O 3.44Å; T85-S89 WeakPolarHBondContact O-CB 3.33Å; T85-S89 PolarHBondContact O-N 2.9Å; G86-S89 WeakPolarHBondContact O-CB 3.37Å; G86-S89 PolarHBondContact O-N 3.46Å; G86-S89 PolarHBondContact O-OG 3.04Å; S89-R91 VanDerWaalsContact C-N 3.34Å; S89-R91 PolarHBondContact O-N 2.88Å |
| 90 | K | 94.8 | Very high | 90.7 | Very high | 201 Ų | 201 | 63.1 Ų | 63.1 | 87% | 0.874 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11 | 179.5 | -65 | -174.5 | 179.2 | -178.5 | 0 | 115.1 | K88 | K88-K90 PolarHBondContact O-N 3.49Š|
| 91 | R | 96.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -10.3 | -174.6 | -65.2 | -171 | -61.7 | 111.3 | -5.9 | 113.7 | K88 S89 L108 T109 D110 D115 | K88-R91 PolarHBondContact O-N 3.07Å; S89-R91 VanDerWaalsContact C-N 3.34Å; S89-R91 PolarHBondContact O-N 2.88Å; R91-L108 HydrophobicContact CB-CD1 4.06Å; R91-L108 WeakPolarHBondContact O-CA 3.09Å; R91-T109 WeakPolarHBondContact CD-O 3.45Å; R91-T109 PolarHBondContact NH1-O 2.83Å; R91-T109 PolarHBondContact O-N 2.97Å; R91-T109 PolarHBondContact O-OG1 3.31Å; R91-D110 PolarHBondContact NH1-O 3.23Å; R91-D115 IonicContact CZ-OD1 3.86Å; R91-D115 IonicContact CZ-OD2 3.4Å; R91-D115 VanDerWaalsContact CZ-OD2 3.24Å; R91-D115 IonicContact NH1-OD1 2.88Å; R91-D115 IonicContact NH1-OD2 3.84Å; R91-D115 PolarHBondContact NH1-OD2 3.04Å; R91-D115 VanDerWaalsContact NH2-CG 3.28Å; R91-D115 IonicContact NH2-OD1 3.24Å; R91-D115 PolarHBondContact NH2-OD1 2.93Å; R91-D115 IonicContact NH2-OD2 3.51Å; R91-D115 PolarHBondContact NH2-OD2 2.81Å |
| 92 | V | 96.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 141.4 | 176.9 | -65.7 | 0 | 0 | 0 | 0 | 112 | I74 L75 P84 K88 L106 K107 L108 | I74-V92 HydrophobicContact CD1-CG1 4.26Å; I74-V92 WeakPolarHBondContact O-CG2 2.99Å; L75-V92 HydrophobicContact CB-CG2 4.16Å; L75-V92 HydrophobicContact CD1-CB 4.19Å; L75-V92 HydrophobicContact CD1-CG2 4.17Å; P84-V92 HydrophobicContact CB-CG2 3.95Å; K88-V92 HydrophobicContact CB-CG1 3.91Å; K88-V92 PolarHBondContact O-N 2.92Å; K88-V92 VanDerWaalsContact O-N 3.15Å; V92-L106 HydrophobicContact CB-CD1 3.94Å; V92-L106 HydrophobicContact CG1-CD1 4.07Å; V92-K107 CarbonylContact C-O 3.58Å; V92-K107 WeakPolarHBondContact CA-O 3.48Å; V92-L108 HydrophobicContact CG1-CD1 3.62Å |
| 93 | S | 95.4 | Very high | 89.8 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 165.7 | 172 | 51.2 | 0 | 0 | 0 | 0 | 108.8 | K107 | S93-K107 PolarHBondContact N-O 2.85Å; S93-K107 PolarHBondContact O-N 2.64Å; S93-K107 PolarHBondContact OG-O 2.85Å |
| 94 | L | 94.6 | Very high | 89.7 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 138.6 | 163.4 | -62.4 | 176.3 | 0 | 0 | 0 | 109 | L57 L75 L82 Q96 P99 T105 | L57-L94 HydrophobicContact CD2-CD1 4.01Å; L57-L94 HydrophobicContact CD2-CD2 4.17Å; L75-L94 HydrophobicContact CD1-CD2 4.39Å; L75-L94 HydrophobicContact CD1-CG 4.26Å; L75-L94 HydrophobicContact CD2-CD1 4.43Å; L75-L94 HydrophobicContact CD2-CD2 3.81Å; L75-L94 HydrophobicContact CD2-CG 4.08Å; L82-L94 HydrophobicContact CD1-CD1 3.65Å; L82-L94 HydrophobicContact CD1-CG 3.96Å; L82-L94 HydrophobicContact CD2-CG 4.45Å; L94-Q96 VanDerWaalsContact C-N 3.27Å; L94-Q96 WeakPolarHBondContact CB-O 3.23Å; L94-Q96 PolarHBondContact O-N 2.04Å; L94-P99 HydrophobicContact CD1-CB 4.15Å; L94-P99 HydrophobicContact CD1-CG 3.81Å; L94-T105 WeakPolarHBondContact CA-O 3.34Å |
| 95 | L | 93.2 | Very high | 89.8 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -66.2 | -33.3 | 176.3 | -175 | 65.2 | 0 | 0 | 0 | 111.3 | T105 K107 | L95-T105 HydrophobicContact CB-CG2 3.95Å; L95-T105 HydrophobicContact CD2-CG2 3.9Å; L95-T105 PolarHBondContact N-O 3.17Å; L95-K107 HydrophobicContact CD1-CD 4.18Å |
| 96 | Q | 89.6 | Confident | 89.9 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -111.2 | 120.6 | 167.2 | -58.9 | 77.6 | 15.8 | 0 | 0 | 108.1 | L94 P98 P99 | L94-Q96 VanDerWaalsContact C-N 3.27Å; L94-Q96 WeakPolarHBondContact CB-O 3.23Å; L94-Q96 PolarHBondContact O-N 2.04Å; Q96-P98 CarbonylContact C-O 3.59Å; Q96-P98 VanDerWaalsContact C-O 3.3Å; Q96-P98 CarbonylContact O-C 3.53Å; Q96-P99 WeakPolarHBondContact O-CA 3.44Å |
| 97 | N | 85.8 | Confident | 90.3 | Very high | 98 Ų | 98 | 52 Ų | 52 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -133.8 | 111.4 | 176.4 | -173.2 | 31.5 | 0 | 0 | 0 | 109.7 | ||
| 98 | P | 84.1 | Confident | 90.7 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | S | Bend | cis | -62.1 | 153 | -1.6 | 28.7 | -36.2 | 0 | 0 | 0 | 112.4 | F77 Q96 T100 | F77-P98 HydrophobicContact CE2-CB 4.02Å; F77-P98 HydrophobicContact CZ-CB 3.82Å; Q96-P98 CarbonylContact C-O 3.59Å; Q96-P98 VanDerWaalsContact C-O 3.3Å; Q96-P98 CarbonylContact O-C 3.53Å; P98-T100 PolarHBondContact O-N 3.29Å |
| 99 | P | 84.2 | Confident | 90.9 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 125.2 | 171.1 | 22.3 | -28.2 | 0 | 0 | 0 | 109.4 | F55 L57 F77 L94 Q96 A104 | F55-P99 HydrophobicContact CE2-CG 3.97Å; F55-P99 HydrophobicContact CZ-CG 3.94Å; L57-P99 HydrophobicContact CD2-CB 4.44Å; L57-P99 HydrophobicContact CD2-CG 4.13Å; F77-P99 HydrophobicContact CD1-CG 3.82Å; F77-P99 HydrophobicContact CD2-CG 4.42Å; F77-P99 HydrophobicContact CE1-CG 3.86Å; F77-P99 HydrophobicContact CE2-CG 4.44Å; F77-P99 HydrophobicContact CG-CG 4.12Å; F77-P99 HydrophobicContact CZ-CG 4.18Å; L94-P99 HydrophobicContact CD1-CB 4.15Å; L94-P99 HydrophobicContact CD1-CG 3.81Å; Q96-P99 WeakPolarHBondContact O-CA 3.44Å; P99-A104 HydrophobicContact CB-CB 4.3Å |
| 100 | T | 75.6 | Confident | 91.2 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 146.7 | 179.8 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | Y47 P98 G102 V103 | Y47-T100 PolarHBondContact OH-O 2.02Å; Y47-T100 VanDerWaalsContact OH-O 3.08Å; P98-T100 PolarHBondContact O-N 3.29Å; T100-G102 PolarHBondContact O-N 2.83Å; T100-V103 PolarHBondContact O-N 2.83Å; T100-V103 VanDerWaalsContact O-O 3.09Å |
| 101 | V | 71.3 | Confident | 91.3 | Very high | 90 Ų | 90 | 40.6 Ų | 40.6 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 108.5 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | T49 D53 | T49-V101 HydrophobicContact CG2-CG1 4.25Å; D53-V101 VanDerWaalsContact OD1-CG2 3.31Å; D53-V101 WeakPolarHBondContact OD1-CG2 3.19Å |
| 102 | G | 85.2 | Confident | 91.3 | Very high | 13 Ų | 13 | 42 Ų | 42 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 5.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | T46 Y47 T100 | T46-G102 CarbonylContact C-O 3.55Å; T46-G102 WeakPolarHBondContact CA-O 3.46Å; T46-G102 VanDerWaalsContact CB-O 3.29Å; T46-G102 WeakPolarHBondContact CB-O 2.92Å; Y47-G102 VanDerWaalsContact CZ-N 3.26Å; Y47-G102 PolarHBondContact N-O 2.92Å; Y47-G102 WeakPolarHBondContact O-CA 3.43Å; Y47-G102 PolarHBondContact OH-N 3.02Å; T100-G102 PolarHBondContact O-N 2.83Å |
| 103 | V | 90.9 | Very high | 91.3 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 29% | 0.291 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.9 | 169.9 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | T44 T46 T100 | T44-V103 HydrophobicContact CG2-CG1 4.15Å; T46-V103 HydrophobicContact CG2-CG2 4.22Å; T100-V103 PolarHBondContact O-N 2.83Å; T100-V103 VanDerWaalsContact O-O 3.09Å |
| 104 | A | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 109.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | C45 Y47 L57 P99 | C45-A104 PolarHBondContact N-O 2.97Å; C45-A104 PolarHBondContact O-N 2.86Å; C45-A104 PolarHBondContact SG-O 2.87Å; C45-A104 VanDerWaalsContact SG-O 3.38Å; Y47-A104 HydrophobicContact CD1-CB 4.43Å; Y47-A104 HydrophobicContact CE1-CB 3.91Å; L57-A104 HydrophobicContact CD1-CB 4.11Å; L57-A104 HydrophobicContact CD2-CB 3.62Å; P99-A104 HydrophobicContact CB-CB 4.3Å |
| 105 | T | 95.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.8 | 176.2 | -59 | 0 | 0 | 0 | 0 | 110.3 | E42 L43 T44 L94 L95 K107 | E42-T105 HydrophobicContact CB-CG2 3.94Å; L43-T105 CarbonylContact O-C 3.52Å; L43-T105 WeakPolarHBondContact O-CA 3.49Å; T44-T105 WeakPolarHBondContact CG2-OG1 3.49Å; T44-T105 VanDerWaalsContact OG1-CG2 3.32Å; T44-T105 WeakPolarHBondContact OG1-CG2 3.38Å; T44-T105 PolarHBondContact OG1-OG1 2.88Å; L94-T105 WeakPolarHBondContact CA-O 3.34Å; L95-T105 HydrophobicContact CB-CG2 3.95Å; L95-T105 HydrophobicContact CD2-CG2 3.9Å; L95-T105 PolarHBondContact N-O 3.17Å; T105-K107 PolarHBondContact O-N 2.83Å |
| 106 | L | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117.3 | 170.3 | 174.4 | 73.2 | 0 | 0 | 0 | 109.4 | E42 L43 W59 I74 L75 V92 Y119 | E42-L106 WeakPolarHBondContact CA-O 3.39Å; L43-L106 HydrophobicContact CB-CB 4.32Å; L43-L106 HydrophobicContact CD1-CD2 4.35Å; L43-L106 PolarHBondContact N-O 2.91Å; L43-L106 PolarHBondContact O-N 2.82Å; W59-L106 HydrophobicContact CB-CD1 4.43Å; W59-L106 HydrophobicContact CB-CD2 4.19Å; W59-L106 HydrophobicContact CD2-CB 3.63Å; W59-L106 HydrophobicContact CD2-CD2 3.74Å; W59-L106 HydrophobicContact CD2-CG 4.18Å; W59-L106 VanDerWaalsContact CE2-CB 3.5Å; W59-L106 HydrophobicContact CE3-CB 3.98Å; W59-L106 HydrophobicContact CE3-CD2 3.54Å; W59-L106 HydrophobicContact CE3-CG 4.36Å; W59-L106 HydrophobicContact CG-CB 4.12Å; W59-L106 HydrophobicContact CG-CD1 4.27Å; W59-L106 HydrophobicContact CG-CD2 4.05Å; W59-L106 HydrophobicContact CG-CG 4.38Å; W59-L106 HydrophobicContact CH2-CB 3.99Å; W59-L106 HydrophobicContact CZ2-CB 3.67Å; W59-L106 HydrophobicContact CZ3-CB 4.15Å; W59-L106 HydrophobicContact CZ3-CD2 4.1Å; I74-L106 HydrophobicContact CD1-CD2 3.86Å; L75-L106 HydrophobicContact CB-CD1 4.4Å; L75-L106 HydrophobicContact CD1-CD1 3.94Å; V92-L106 HydrophobicContact CB-CD1 3.94Å; V92-L106 HydrophobicContact CG1-CD1 4.07Å; L106-Y119 HydrophobicContact CD2-CD1 3.96Å; L106-Y119 HydrophobicContact CD2-CE1 4.41Å |
| 107 | K | 97.5 | Very high | 91.9 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 27% | 0.27 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 109.6 | 174.7 | -176.4 | 176.2 | -165.9 | 156.5 | 0 | 109.4 | T40 E42 V92 S93 L95 T105 | T40-K107 HydrophobicContact CG2-CD 4.29Å; T40-K107 HydrophobicContact CG2-CG 3.49Å; T40-K107 VanDerWaalsContact CG2-CG 3.49Å; E42-K107 HydrophobicContact CG-CG 4.27Å; E42-K107 WeakPolarHBondContact OE1-CE 3.23Å; E42-K107 IonicContact OE1-NZ 3.66Å; V92-K107 CarbonylContact C-O 3.58Å; V92-K107 WeakPolarHBondContact CA-O 3.48Å; S93-K107 PolarHBondContact N-O 2.85Å; S93-K107 PolarHBondContact O-N 2.64Å; S93-K107 PolarHBondContact OG-O 2.85Å; L95-K107 HydrophobicContact CD1-CD 4.18Å; T105-K107 PolarHBondContact O-N 2.83Å |
| 108 | L | 98.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 104.7 | 176.6 | 179 | 67.9 | 0 | 0 | 0 | 109.3 | T40 A41 L43 K88 R91 V92 V111 D115 Y119 L139 | T40-L108 CarbonylContact C-O 3.59Å; T40-L108 VanDerWaalsContact CA-O 3.31Å; T40-L108 WeakPolarHBondContact CA-O 3.43Å; T40-L108 WeakPolarHBondContact CG2-O 3.43Å; A41-L108 PolarHBondContact N-O 3.17Å; A41-L108 PolarHBondContact O-N 3.07Å; L43-L108 HydrophobicContact CD1-CB 4.43Å; K88-L108 HydrophobicContact CB-CD1 4.4Å; K88-L108 HydrophobicContact CD-CD1 4.25Å; R91-L108 HydrophobicContact CB-CD1 4.06Å; R91-L108 WeakPolarHBondContact O-CA 3.09Å; V92-L108 HydrophobicContact CG1-CD1 3.62Å; L108-V111 HydrophobicContact CD2-CG1 4.06Å; L108-V111 HydrophobicContact CG-CG1 4.08Å; L108-V111 WeakPolarHBondContact O-CG1 3.32Å; L108-D115 HydrophobicContact CD2-CB 3.93Å; L108-Y119 HydrophobicContact CD2-CE1 4.27Å; L108-Y119 WeakPolarHBondContact CD2-OH 3.37Å; L108-L139 HydrophobicContact CD2-CD2 4.3Å |
| 109 | T | 98.1 | Very high | 93.1 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 30% | 0.301 | 21% | 0.211 | S | C | . | . | trans | -78.8 | 158.7 | 178.8 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | T40 R91 V111 | T40-T109 HydrophobicContact CG2-CG2 4.14Å; R91-T109 WeakPolarHBondContact CD-O 3.45Å; R91-T109 PolarHBondContact NH1-O 2.83Å; R91-T109 PolarHBondContact O-N 2.97Å; R91-T109 PolarHBondContact O-OG1 3.31Å; T109-V111 PolarHBondContact O-N 3.26Å | ||
| 110 | D | 97.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 35.2 Ų | 35.2 | 43% | 0.433 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 48.4 | 61.4 | 172.6 | -174.5 | 31.9 | 0 | 0 | 0 | 112.8 | K39 R91 H112 | K39-D110 WeakPolarHBondContact O-CA 3.28Å; K39-D110 PolarHBondContact O-N 3Å; R91-D110 PolarHBondContact NH1-O 3.23Å; D110-H112 PolarHBondContact O-CE1 2.82Å; D110-H112 PolarHBondContact O-N 2.95Å; D110-H112 PolarHBondContact O-ND1 2.86Å; D110-H112 IonicContact OD1-CE1 2.64Å; D110-H112 IonicContact OD2-CE1 2.68Å; D110-H112 PolarHBondContact OD2-CE1 3.04Å |
| 111 | V | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -69.1 | 131.5 | -172.9 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | T35 P36 G38 K39 A41 L108 T109 D115 V141 | T35-V111 HydrophobicContact CG2-CG1 4.49Å; T35-V111 HydrophobicContact CG2-CG2 3.76Å; P36-V111 WeakPolarHBondContact O-CG2 3.28Å; G38-V111 PolarHBondContact N-O 3.23Å; K39-V111 PolarHBondContact O-N 3.18Å; A41-V111 HydrophobicContact CB-CG1 3.86Å; L108-V111 HydrophobicContact CD2-CG1 4.06Å; L108-V111 HydrophobicContact CG-CG1 4.08Å; L108-V111 WeakPolarHBondContact O-CG1 3.32Å; T109-V111 PolarHBondContact O-N 3.26Å; V111-D115 WeakPolarHBondContact CA-OD2 3.38Å; V111-V141 HydrophobicContact CB-CG1 4.38Å; V111-V141 HydrophobicContact CB-CG2 3.9Å; V111-V141 HydrophobicContact CG2-CG1 3.89Å; V111-V141 HydrophobicContact CG2-CG2 4.05Å | ||
| 112 | H | 96.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 29.8 Ų | 29.8 | 36% | 0.356 | 17% | 0.174 | S | C | . | . | trans | -106.8 | 161.5 | 179.7 | -75.1 | 59.6 | 0 | 0 | 0 | 110.8 | D110 S114 D115 V141 | D110-H112 PolarHBondContact O-CE1 2.82Å; D110-H112 PolarHBondContact O-N 2.95Å; D110-H112 PolarHBondContact O-ND1 2.86Å; D110-H112 IonicContact OD1-CE1 2.64Å; D110-H112 IonicContact OD2-CE1 2.68Å; D110-H112 PolarHBondContact OD2-CE1 3.04Å; H112-S114 PolarHBondContact O-N 2.92Å; H112-S114 VanDerWaalsContact O-N 3.09Å; H112-D115 PolarHBondContact N-OD2 3.43Å; H112-D115 VanDerWaalsContact O-CB 3.31Å; H112-D115 WeakPolarHBondContact O-CB 3.28Å; H112-D115 PolarHBondContact O-N 3.44Å; H112-V141 WeakPolarHBondContact O-CG2 3.36Å | ||
| 113 | P | 95.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 29.2 Ų | 29.2 | 44% | 0.442 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -57.3 | -31.7 | 179.5 | -24.6 | 35.8 | 0 | 0 | 0 | 113.1 | L37 D115 T116 V143 | L37-P113 HydrophobicContact CD1-CG 4.05Å; P113-D115 PolarHBondContact O-N 3.36Å; P113-T116 WeakPolarHBondContact O-CB 3.46Å; P113-T116 PolarHBondContact O-N 3.17Å; P113-T116 VanDerWaalsContact O-N 3.15Å; P113-T116 PolarHBondContact O-OG1 3.39Å; P113-V143 HydrophobicContact CG-CG2 4.14Å |
| 114 | S | 95.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 28.3 Ų | 28.3 | 62% | 0.615 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -74.4 | 0.5 | 174.3 | 52.7 | 0 | 0 | 0 | 0 | 115.4 | K88 H112 | K88-S114 PolarHBondContact NZ-O 2.74Å; H112-S114 PolarHBondContact O-N 2.92Å; H112-S114 VanDerWaalsContact O-N 3.09Å |
| 115 | D | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -90 | -8.1 | 165.8 | -63.2 | -38.6 | 0 | 0 | 0 | 112.6 | K88 R91 L108 V111 H112 P113 G117 Y119 V141 | K88-D115 IonicContact NZ-OD1 2.79Å; K88-D115 PolarHBondContact NZ-OD1 2.97Å; R91-D115 IonicContact CZ-OD1 3.86Å; R91-D115 IonicContact CZ-OD2 3.4Å; R91-D115 VanDerWaalsContact CZ-OD2 3.24Å; R91-D115 IonicContact NH1-OD1 2.88Å; R91-D115 IonicContact NH1-OD2 3.84Å; R91-D115 PolarHBondContact NH1-OD2 3.04Å; R91-D115 VanDerWaalsContact NH2-CG 3.28Å; R91-D115 IonicContact NH2-OD1 3.24Å; R91-D115 PolarHBondContact NH2-OD1 2.93Å; R91-D115 IonicContact NH2-OD2 3.51Å; R91-D115 PolarHBondContact NH2-OD2 2.81Å; L108-D115 HydrophobicContact CD2-CB 3.93Å; V111-D115 WeakPolarHBondContact CA-OD2 3.38Å; H112-D115 PolarHBondContact N-OD2 3.43Å; H112-D115 VanDerWaalsContact O-CB 3.31Å; H112-D115 WeakPolarHBondContact O-CB 3.28Å; H112-D115 PolarHBondContact O-N 3.44Å; P113-D115 PolarHBondContact O-N 3.36Å; D115-G117 PolarHBondContact O-N 3.48Å; D115-Y119 VanDerWaalsContact O-CE2 3.26Å; D115-Y119 WeakPolarHBondContact O-CE2 3.31Å; D115-Y119 PolarHBondContact O-OH 2.94Å; D115-V141 HydrophobicContact CB-CG2 4.12Å |
| 116 | T | 97.2 | Very high | 93.9 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 22% | 0.221 | 18% | 0.177 | C | C | . | . | trans | -62.2 | 130.1 | 169.1 | -60 | 0 | 0 | 0 | 0 | 109.9 | P64 P113 L139 V141 | P64-T116 VanDerWaalsContact CD-O 3.26Å; P64-T116 WeakPolarHBondContact CD-O 3.43Å; P64-T116 HydrophobicContact CG-CG2 4.14Å; P64-T116 WeakPolarHBondContact CG-O 3.37Å; P113-T116 WeakPolarHBondContact O-CB 3.46Å; P113-T116 PolarHBondContact O-N 3.17Å; P113-T116 VanDerWaalsContact O-N 3.15Å; P113-T116 PolarHBondContact O-OG1 3.39Å; T116-L139 WeakPolarHBondContact CA-O 3.39Å; T116-V141 PolarHBondContact OG1-N 3.1Å | ||
| 117 | G | 96.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | -169.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V62 D115 L139 | V62-G117 WeakPolarHBondContact O-CA 3.46Å; D115-G117 PolarHBondContact O-N 3.48Å; G117-L139 PolarHBondContact N-O 2.94Å; G117-L139 PolarHBondContact O-N 3.4Å |
| 118 | T | 97.3 | Very high | 90.4 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 20% | 0.202 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.8 | 177.2 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | V62 L120 L136 N138 | V62-T118 PolarHBondContact N-O 2.95Å; V62-T118 PolarHBondContact O-N 2.93Å; T118-L120 HydrophobicContact CG2-CD1 4.49Å; T118-L136 HydrophobicContact CG2-CB 4.23Å; T118-L136 HydrophobicContact CG2-CD2 4.35Å; T118-N138 WeakPolarHBondContact CB-OD1 3.35Å; T118-N138 WeakPolarHBondContact CG2-OD1 3.44Å; T118-N138 PolarHBondContact OG1-OD1 3.14Å |
| 119 | Y | 97.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.8 | 175.4 | -69 | -104.9 | 0 | 0 | 0 | 108.8 | L43 S60 F61 I74 K88 L106 L108 D115 I137 L139 | L43-Y119 HydrophobicContact CD2-CD1 3.84Å; L43-Y119 HydrophobicContact CD2-CD2 3.57Å; L43-Y119 HydrophobicContact CD2-CE1 4.47Å; L43-Y119 HydrophobicContact CD2-CE2 4.27Å; L43-Y119 HydrophobicContact CD2-CG 3.35Å; S60-Y119 CarbonylContact O-C 3.59Å; S60-Y119 WeakPolarHBondContact O-CA 3.48Å; F61-Y119 HydrophobicContact CB-CE1 4.46Å; F61-Y119 HydrophobicContact CD2-CD1 4.12Å; F61-Y119 HydrophobicContact CD2-CD2 4.03Å; F61-Y119 AromaticContact CD2-CE1 3.69Å; F61-Y119 HydrophobicContact CD2-CE1 3.69Å; F61-Y119 AromaticContact CD2-CE2 3.56Å; F61-Y119 HydrophobicContact CD2-CE2 3.56Å; F61-Y119 HydrophobicContact CD2-CG 4.27Å; F61-Y119 AromaticContact CD2-CZ 3.36Å; F61-Y119 HydrophobicContact CE2-CD2 4.39Å; F61-Y119 HydrophobicContact CE2-CE1 4.39Å; F61-Y119 AromaticContact CE2-CE2 3.63Å; F61-Y119 HydrophobicContact CE2-CE2 3.63Å; F61-Y119 AromaticContact CE2-CZ 3.62Å; F61-Y119 HydrophobicContact CG-CE1 4.42Å; I74-Y119 HydrophobicContact CD1-CD1 3.76Å; I74-Y119 HydrophobicContact CD1-CE1 3.69Å; K88-Y119 HydrophobicContact CD-CE1 4.45Å; K88-Y119 WeakPolarHBondContact CE-OH 3.48Å; L106-Y119 HydrophobicContact CD2-CD1 3.96Å; L106-Y119 HydrophobicContact CD2-CE1 4.41Å; L108-Y119 HydrophobicContact CD2-CE1 4.27Å; L108-Y119 WeakPolarHBondContact CD2-OH 3.37Å; D115-Y119 VanDerWaalsContact O-CE2 3.26Å; D115-Y119 WeakPolarHBondContact O-CE2 3.31Å; D115-Y119 PolarHBondContact O-OH 2.94Å; Y119-I137 PolarHBondContact N-O 3.47Å; Y119-I137 PolarHBondContact O-N 2.84Å; Y119-L139 HydrophobicContact CD2-CB 3.98Å; Y119-L139 HydrophobicContact CE2-CB 3.78Å; Y119-L139 HydrophobicContact CE2-CD2 3.82Å; Y119-L139 HydrophobicContact CE2-CG 4.39Å |
| 120 | L | 96.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.9 | 176.3 | -72.3 | 62 | 0 | 0 | 0 | 107.1 | W59 S60 V62 I68 T118 L134 G135 L136 | W59-L120 VanDerWaalsContact CA-O 3.3Å; W59-L120 WeakPolarHBondContact CA-O 3.37Å; S60-L120 PolarHBondContact N-O 3.3Å; S60-L120 PolarHBondContact O-N 2.75Å; V62-L120 HydrophobicContact CG2-CD1 3.64Å; I68-L120 HydrophobicContact CG2-CD2 3.89Å; I68-L120 HydrophobicContact CG2-CG 4.46Å; T118-L120 HydrophobicContact CG2-CD1 4.49Å; L120-L134 HydrophobicContact CB-CD1 3.97Å; L120-L134 HydrophobicContact CD2-CD1 4.32Å; L120-L134 HydrophobicContact CG-CD1 4.09Å; L120-G135 WeakPolarHBondContact CA-O 3.45Å; L120-L136 HydrophobicContact CD1-CD2 4.13Å; L120-L136 HydrophobicContact CG-CD2 3.78Å |
| 121 | C | 95.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 108.5 | 159.7 | 165 | 0 | 0 | 0 | 0 | 107.4 | C45 W59 G135 | C45-C121 HydrophobicContact CB-CB 3.59Å; C45-C121 WeakPolarHBondContact CB-SG 3.43Å; C45-C121 WeakPolarHBondContact SG-CB 3.32Å; C45-C121 CovalentContact SG-SG 2.03Å; C45-C121 PolarHBondContact SG-SG 2.83Å; W59-C121 HydrophobicContact CD2-CB 4.14Å; W59-C121 HydrophobicContact CE3-CB 4.09Å; W59-C121 HydrophobicContact CH2-CB 3.73Å; W59-C121 HydrophobicContact CZ2-CB 3.73Å; W59-C121 HydrophobicContact CZ3-CB 3.89Å; C121-G135 PolarHBondContact N-O 2.91Å; C121-G135 PolarHBondContact O-N 2.91Å |
| 122 | Q | 93 | Very high | 83.7 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.4 | 176.8 | 179.2 | 171 | -20.8 | 0 | 0 | 109.5 | L57 E58 N124 G133 L134 | L57-Q122 WeakPolarHBondContact CA-O 3.42Å; E58-Q122 HydrophobicContact CB-CB 4.44Å; E58-Q122 PolarHBondContact N-O 2.86Å; E58-Q122 PolarHBondContact O-N 3.2Å; Q122-N124 VanDerWaalsContact CG-OD1 3.24Å; Q122-N124 WeakPolarHBondContact CG-OD1 3.41Å; Q122-N124 PolarHBondContact NE2-ND2 3.39Å; Q122-N124 PolarHBondContact NE2-OD1 3.47Å; Q122-G133 CarbonylContact C-O 3.26Å; Q122-G133 WeakPolarHBondContact CA-O 3.39Å; Q122-L134 HydrophobicContact CB-CD1 4.22Å |
| 123 | V | 91.3 | Very high | 83.3 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.1 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | V24 V26 Y47 L57 G133 | V24-V123 HydrophobicContact CG1-CB 3.78Å; V24-V123 HydrophobicContact CG1-CG1 3.71Å; V26-V123 HydrophobicContact CG2-CB 3.98Å; V26-V123 HydrophobicContact CG2-CG2 3.9Å; Y47-V123 HydrophobicContact CD1-CG2 4.12Å; Y47-V123 HydrophobicContact CD2-CG1 3.87Å; Y47-V123 HydrophobicContact CD2-CG2 4.37Å; Y47-V123 HydrophobicContact CE2-CG1 4.33Å; Y47-V123 HydrophobicContact CG-CG1 4.25Å; Y47-V123 HydrophobicContact CG-CG2 3.94Å; L57-V123 HydrophobicContact CD1-CG2 3.9Å; V123-G133 PolarHBondContact N-O 3.42Å; V123-G133 PolarHBondContact O-N 3.4Å |
| 124 | N | 86.1 | Confident | 83.1 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 148.5 | -179.1 | -59.3 | -34.2 | 0 | 0 | 0 | 109.5 | A56 Q122 P126 N132 | A56-N124 HydrophobicContact CB-CB 4.44Å; A56-N124 PolarHBondContact N-O 2.93Å; A56-N124 PolarHBondContact O-N 3.27Å; Q122-N124 VanDerWaalsContact CG-OD1 3.24Å; Q122-N124 WeakPolarHBondContact CG-OD1 3.41Å; Q122-N124 PolarHBondContact NE2-ND2 3.39Å; Q122-N124 PolarHBondContact NE2-OD1 3.47Å; N124-P126 WeakPolarHBondContact O-CD 3.45Å; N124-N132 WeakPolarHBondContact OD1-CB 3.35Å; N124-N132 PolarHBondContact OD1-OD1 3.48Å |
| 125 | N | 78.6 | Confident | 83 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | trans | -107.8 | 100.5 | 173.5 | -173.8 | 31.5 | 0 | 0 | 0 | 110.4 | V24 V51 D128 | V24-N125 HydrophobicContact CG2-CB 3.85Å; V51-N125 WeakPolarHBondContact CG1-OD1 3.4Å; V51-N125 WeakPolarHBondContact CG2-OD1 3.46Å; N125-D128 PolarHBondContact ND2-OD1 2.89Å; N125-D128 PolarHBondContact ND2-OD2 3.4Å; N125-D128 CarbonylContact O-C 3.56Å; N125-D128 VanDerWaalsContact O-C 3.26Å; N125-D128 WeakPolarHBondContact O-CA 3.39Å; N125-D128 PolarHBondContact O-N 2.9Å | ||
| 126 | P | 72.2 | Confident | 83 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 35% | 0.351 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 136.4 | 171.5 | -17 | 31 | 0 | 0 | 0 | 111.4 | S54 A56 N124 | S54-P126 WeakPolarHBondContact O-CD 3.48Å; A56-P126 HydrophobicContact CB-CG 4.17Å; N124-P126 WeakPolarHBondContact O-CD 3.45Å |
| 127 | P | 64.4 | Low | 83 | Confident | 108 Ų | 108 | 47.2 Ų | 47.2 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.2 | -0.1 | 7 | 37.3 | -36.4 | 0 | 0 | 0 | 115 | F129 | P127-F129 WeakPolarHBondContact O-CD2 3.25Å; P127-F129 WeakPolarHBondContact O-CE2 3.28Å; P127-F129 PolarHBondContact O-N 3.33Å |
| 128 | D | 57.5 | Low | 83 | Confident | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | trans | -81.1 | 76 | -175.9 | 48 | -69 | 0 | 0 | 0 | 114.2 | N125 Y130 T131 | N125-D128 PolarHBondContact ND2-OD1 2.89Å; N125-D128 PolarHBondContact ND2-OD2 3.4Å; N125-D128 CarbonylContact O-C 3.56Å; N125-D128 VanDerWaalsContact O-C 3.26Å; N125-D128 WeakPolarHBondContact O-CA 3.39Å; N125-D128 PolarHBondContact O-N 2.9Å; D128-Y130 PolarHBondContact O-N 3.37Å; D128-T131 PolarHBondContact O-N 2.87Å; D128-T131 PolarHBondContact O-OG1 3.32Å; D128-T131 WeakPolarHBondContact OD2-CB 3.48Å; D128-T131 PolarHBondContact OD2-OG1 3.37Å | ||
| 129 | F | 55.5 | Low | 83 | Confident | 168 Ų | 168 | 49.5 Ų | 49.5 | 74% | 0.737 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -3.2 | 173 | -62.6 | -81.3 | 0 | 0 | 0 | 116.8 | P127 N132 | P127-F129 WeakPolarHBondContact O-CD2 3.25Å; P127-F129 WeakPolarHBondContact O-CE2 3.28Å; P127-F129 PolarHBondContact O-N 3.33Å; F129-N132 PolarHBondContact O-ND2 2.91Å; F129-N132 PolarHBondContact O-OD1 2.94Å |
| 130 | Y | 56.1 | Low | 83 | Confident | 223 Ų | 223 | 51.8 Ų | 51.8 | 88% | 0.875 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -15.7 | 179.1 | -59.1 | -73.5 | 0 | 0 | 0 | 113 | D128 | D128-Y130 PolarHBondContact O-N 3.37Š|
| 131 | T | 62.2 | Low | 83 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | -114 | 68.7 | -170.1 | 3.6 | 0 | 0 | 0 | 0 | 110.5 | L22 V24 D128 | L22-T131 VanDerWaalsContact O-CB 3.3Å; L22-T131 WeakPolarHBondContact O-CB 3.32Å; L22-T131 WeakPolarHBondContact O-CG2 3.44Å; V24-T131 WeakPolarHBondContact CG2-O 3.45Å; D128-T131 PolarHBondContact O-N 2.87Å; D128-T131 PolarHBondContact O-OG1 3.32Å; D128-T131 WeakPolarHBondContact OD2-CB 3.48Å; D128-T131 PolarHBondContact OD2-OG1 3.37Å | ||
| 132 | N | 75.9 | Confident | 83.2 | Confident | 71 Ų | 71 | 52 Ų | 52 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | trans | -106.1 | 125.3 | -174.1 | -46.1 | -56.6 | 0 | 0 | 0 | 110.6 | N124 F129 | N124-N132 WeakPolarHBondContact OD1-CB 3.35Å; N124-N132 PolarHBondContact OD1-OD1 3.48Å; F129-N132 PolarHBondContact O-ND2 2.91Å; F129-N132 PolarHBondContact O-OD1 2.94Å | ||
| 133 | G | 87.6 | Confident | 83.4 | Confident | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V24 Q122 V123 | V24-G133 VanDerWaalsContact O-CA 3.26Å; V24-G133 WeakPolarHBondContact O-CA 3.5Å; Q122-G133 CarbonylContact C-O 3.26Å; Q122-G133 WeakPolarHBondContact CA-O 3.39Å; V123-G133 PolarHBondContact N-O 3.42Å; V123-G133 PolarHBondContact O-N 3.4Å |
| 134 | L | 91.9 | Very high | 83.7 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 120.2 | -178.4 | 178.3 | 63.2 | 0 | 0 | 0 | 111.6 | L120 Q122 L136 | L120-L134 HydrophobicContact CB-CD1 3.97Å; L120-L134 HydrophobicContact CD2-CD1 4.32Å; L120-L134 HydrophobicContact CG-CD1 4.09Å; Q122-L134 HydrophobicContact CB-CD1 4.22Å; L134-L136 HydrophobicContact CD1-CD2 4.2Å; L134-L136 HydrophobicContact CD2-CD2 4.28Å; L134-L136 HydrophobicContact CG-CD2 4.18Å |
| 135 | G | 94.3 | Very high | 84.3 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L120 C121 | L120-G135 WeakPolarHBondContact CA-O 3.45Å; C121-G135 PolarHBondContact N-O 2.91Å; C121-G135 PolarHBondContact O-N 2.91Å |
| 136 | L | 95.6 | Very high | 85.2 | Confident | 71 Ų | 71 | 53 Ų | 53 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.1 | 177.5 | -59.1 | 179.3 | 0 | 0 | 0 | 110.1 | I68 T118 L120 L134 | I68-L136 HydrophobicContact CD1-CD1 3.78Å; I68-L136 HydrophobicContact CD1-CD2 4.41Å; T118-L136 HydrophobicContact CG2-CB 4.23Å; T118-L136 HydrophobicContact CG2-CD2 4.35Å; L120-L136 HydrophobicContact CD1-CD2 4.13Å; L120-L136 HydrophobicContact CG-CD2 3.78Å; L134-L136 HydrophobicContact CD1-CD2 4.2Å; L134-L136 HydrophobicContact CD2-CD2 4.28Å; L134-L136 HydrophobicContact CG-CD2 4.18Å |
| 137 | I | 97.1 | Very high | 86.4 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120 | -180 | -59.4 | 173.3 | 0 | 0 | 0 | 109 | V28 L33 L43 T44 W59 Y119 | V28-I137 HydrophobicContact CB-CD1 4.32Å; V28-I137 HydrophobicContact CB-CG1 3.87Å; V28-I137 HydrophobicContact CG1-CD1 3.91Å; V28-I137 HydrophobicContact CG1-CG1 3.7Å; L33-I137 HydrophobicContact CB-CG2 4.41Å; L43-I137 HydrophobicContact CB-CD1 4.07Å; L43-I137 HydrophobicContact CD2-CB 4.4Å; L43-I137 HydrophobicContact CD2-CG2 4.02Å; L43-I137 HydrophobicContact CG-CG2 4.43Å; T44-I137 WeakPolarHBondContact O-CD1 3.13Å; W59-I137 HydrophobicContact CH2-CD1 3.8Å; W59-I137 HydrophobicContact CZ3-CD1 4.14Å; Y119-I137 PolarHBondContact N-O 3.47Å; Y119-I137 PolarHBondContact O-N 2.84Å |
| 138 | N | 96.3 | Very high | 88 | Confident | 86 Ų | 86 | 52.7 Ų | 52.7 | 46% | 0.46 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.1 | 172.7 | -67.9 | -36.1 | 0 | 0 | 0 | 109.6 | L33 T118 | L33-N138 PolarHBondContact N-O 2.86Å; T118-N138 WeakPolarHBondContact CB-OD1 3.35Å; T118-N138 WeakPolarHBondContact CG2-OD1 3.44Å; T118-N138 PolarHBondContact OG1-OD1 3.14Å |
| 139 | L | 97.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.6 | 173.3 | 173.3 | 63 | 0 | 0 | 0 | 109.7 | L33 A41 L43 L108 T116 G117 Y119 V141 | L33-L139 HydrophobicContact CB-CD1 4.33Å; L33-L139 HydrophobicContact CD2-CD1 4.01Å; L33-L139 HydrophobicContact CG-CD1 3.93Å; L33-L139 CarbonylContact O-C 3.54Å; L33-L139 WeakPolarHBondContact O-CA 3.41Å; A41-L139 HydrophobicContact CB-CD1 3.97Å; A41-L139 HydrophobicContact CB-CD2 3.86Å; L43-L139 HydrophobicContact CD2-CB 4.47Å; L108-L139 HydrophobicContact CD2-CD2 4.3Å; T116-L139 WeakPolarHBondContact CA-O 3.39Å; G117-L139 PolarHBondContact N-O 2.94Å; G117-L139 PolarHBondContact O-N 3.4Å; Y119-L139 HydrophobicContact CD2-CB 3.98Å; Y119-L139 HydrophobicContact CE2-CB 3.78Å; Y119-L139 HydrophobicContact CE2-CD2 3.82Å; Y119-L139 HydrophobicContact CE2-CG 4.39Å; L139-V141 HydrophobicContact CD2-CG2 4.47Å; L139-V141 HydrophobicContact CG-CG2 4.45Å |
| 140 | T | 97.1 | Very high | 91.9 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.2 | 168.6 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | L33 S34 T35 L142 | L33-T140 PolarHBondContact O-N 2.88Å; S34-T140 WeakPolarHBondContact CA-O 3.42Å; T35-T140 PolarHBondContact N-O 2.86Å; T140-L142 HydrophobicContact CG2-CD2 4.09Å |
| 141 | V | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 121.4 | 173.1 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | T35 L37 V111 H112 D115 T116 L139 A172 | T35-V141 CarbonylContact O-C 3.57Å; T35-V141 VanDerWaalsContact O-CA 3.29Å; T35-V141 WeakPolarHBondContact O-CA 3.44Å; L37-V141 HydrophobicContact CD1-CG1 4.49Å; V111-V141 HydrophobicContact CB-CG1 4.38Å; V111-V141 HydrophobicContact CB-CG2 3.9Å; V111-V141 HydrophobicContact CG2-CG1 3.89Å; V111-V141 HydrophobicContact CG2-CG2 4.05Å; H112-V141 WeakPolarHBondContact O-CG2 3.36Å; D115-V141 HydrophobicContact CB-CG2 4.12Å; T116-V141 PolarHBondContact OG1-N 3.1Å; L139-V141 HydrophobicContact CD2-CG2 4.47Å; L139-V141 HydrophobicContact CG-CG2 4.45Å; V141-A172 WeakPolarHBondContact O-CB 3.09Å |
| 142 | L | 98.3 | Very high | 95.6 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 133.5 | -174.4 | -49.2 | -177.2 | 0 | 0 | 0 | 111 | T35 L37 T140 A172 M223 | T35-L142 PolarHBondContact O-N 2.83Å; L37-L142 PolarHBondContact N-O 2.96Å; T140-L142 HydrophobicContact CG2-CD2 4.09Å; L142-A172 CarbonylContact C-O 3.59Å; L142-A172 VanDerWaalsContact CA-O 3.3Å; L142-A172 WeakPolarHBondContact CA-O 3.34Å; L142-M223 HydrophobicContact CB-CG 3.6Å; L142-M223 HydrophobicContact CB-SD 3.54Å; L142-M223 VanDerWaalsContact CB-SD 3.54Å; L142-M223 HydrophobicContact CD1-CE 3.89Å; L142-M223 HydrophobicContact CD1-CG 4.43Å; L142-M223 HydrophobicContact CD1-SD 3.82Å; L142-M223 HydrophobicContact CG-SD 4.37Å |
| 143 | V | 98 | Very high | 96.6 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.055 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -137.9 | 131.7 | -174.2 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | P113 G171 A172 N221 | P113-V143 HydrophobicContact CG-CG2 4.14Å; V143-G171 WeakPolarHBondContact O-CA 3.5Å; V143-A172 HydrophobicContact CB-CB 4.12Å; V143-A172 HydrophobicContact CG2-CB 4.13Å; V143-A172 PolarHBondContact N-O 3.41Å; V143-A172 PolarHBondContact O-N 2.57Å; V143-N221 PolarHBondContact O-ND2 2.99Å |
| 144 | P | 98 | Very high | 96.9 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 163.2 | 173.4 | 29 | -36 | 0 | 0 | 0 | 111.6 | S146 M223 | P144-S146 PolarHBondContact O-N 3.33Å; P144-M223 HydrophobicContact CB-CB 4.12Å |
| 145 | P | 98.1 | Very high | 97 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.065 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 134.7 | 174.7 | -15.5 | 31.6 | 0 | 0 | 0 | 109.8 | E170 P175 A219 N221 G224 A226 | P145-E170 WeakPolarHBondContact CA-O 3.49Å; P145-P175 HydrophobicContact CB-CB 4.14Å; P145-P175 HydrophobicContact CB-CG 4.31Å; P145-P175 HydrophobicContact CG-CB 3.99Å; P145-A219 HydrophobicContact CB-CB 4.04Å; P145-N221 HydrophobicContact CG-CB 4.48Å; P145-G224 WeakPolarHBondContact CD-O 3.44Å; P145-G224 WeakPolarHBondContact CG-O 3.48Å; P145-A226 HydrophobicContact CB-CB 4.35Å |
| 146 | S | 97.3 | Very high | 97 | Very high | 24 Ų | 24 | 50 Ų | 50 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 162.4 | 166.8 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | P144 P148 S169 E170 | P144-S146 PolarHBondContact O-N 3.33Å; S146-P148 VanDerWaalsContact O-CD 3.23Å; S146-P148 WeakPolarHBondContact O-CD 3.39Å; S146-S169 PolarHBondContact OG-N 3.02Å; S146-S169 PolarHBondContact OG-OG 2.85Å; S146-E170 PolarHBondContact N-O 2.95Å; S146-E170 VanDerWaalsContact N-O 3.14Å; S146-E170 PolarHBondContact OG-N 3.41Å |
| 147 | N | 97.9 | Very high | 96.9 | Very high | 146 Ų | 146 | 47.4 Ų | 47.4 | 78% | 0.781 | 28% | 0.282 | S | S | * | . | trans | -54 | 114.2 | 175.5 | -72.7 | -23.7 | 0 | 0 | 0 | 110 | ||||
| 148 | P | 97.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 7% | 0.065 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 149.9 | -171.7 | 26.1 | -32 | 0 | 0 | 0 | 111.6 | S146 S167 A219 C228 | S146-P148 VanDerWaalsContact O-CD 3.23Å; S146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-S167 WeakPolarHBondContact CA-O 3.38Å; P148-A219 HydrophobicContact CB-CB 4.35Å; P148-A219 HydrophobicContact CG-CB 4.17Å; P148-C228 HydrophobicContact CG-CB 4.04Å; P148-C228 WeakPolarHBondContact O-CB 3.45Å; P148-C228 PolarHBondContact O-SG 2.94Å; P148-C228 VanDerWaalsContact O-SG 3.4Å |
| 149 | L | 98 | Very high | 96.3 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 63% | 0.634 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.2 | 168.9 | -177.2 | 61.4 | 0 | 0 | 0 | 109.5 | C166 S167 | L149-C166 WeakPolarHBondContact O-CA 3.26Å; L149-S167 PolarHBondContact N-O 2.94Å; L149-S167 PolarHBondContact O-N 2.89Å; L149-S167 VanDerWaalsContact O-N 3.1Å |
| 150 | C | 97.9 | Very high | 96 | Very high | 22 Ų | 22 | 48 Ų | 48 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 138.7 | 170.8 | -81 | 0 | 0 | 0 | 0 | 110.1 | R165 W179 C228 L230 | C150-R165 CarbonylContact C-O 3.6Å; C150-R165 WeakPolarHBondContact CA-O 3.22Å; C150-W179 HydrophobicContact CB-CH2 4.18Å; C150-W179 VanDerWaalsContact SG-CH2 3.53Å; C150-C228 VanDerWaalsContact CA-SG 3.54Å; C150-C228 HydrophobicContact CB-CB 3.85Å; C150-C228 WeakPolarHBondContact CB-SG 3.38Å; C150-C228 PolarHBondContact N-SG 3.43Å; C150-C228 WeakPolarHBondContact SG-CB 3.3Å; C150-C228 PolarHBondContact SG-O 2.99Å; C150-C228 CovalentContact SG-SG 2.04Å; C150-C228 PolarHBondContact SG-SG 3.41Å; C150-L230 HydrophobicContact CB-CB 4.07Å; C150-L230 HydrophobicContact CB-CD1 4.3Å |
| 151 | S | 97.8 | Very high | 95.8 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 161.4 | 179.8 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | L164 R165 | S151-L164 CarbonylContact O-C 3.3Å; S151-L164 WeakPolarHBondContact O-CA 3.39Å; S151-R165 PolarHBondContact N-O 2.98Å; S151-R165 PolarHBondContact O-N 2.9Å; S151-R165 PolarHBondContact OG-O 2.74Å |
| 152 | Q | 96.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.8 | -179.4 | 175.8 | -80.4 | -30.3 | 0 | 0 | 109.8 | G154 T156 T162 A163 L164 L230 | Q152-G154 PolarHBondContact NE2-O 3.49Å; Q152-T156 HydrophobicContact CG-CG2 4.39Å; Q152-T162 WeakPolarHBondContact CG-OG1 3.2Å; Q152-T162 PolarHBondContact NE2-OG1 3.46Å; Q152-A163 WeakPolarHBondContact CA-O 3.33Å; Q152-L164 HydrophobicContact CB-CD2 3.98Å; Q152-L164 HydrophobicContact CG-CD2 3.85Å; Q152-L230 HydrophobicContact CB-CD1 3.93Å; Q152-L230 HydrophobicContact CB-CD2 4.22Å |
| 153 | S | 97 | Very high | 95.6 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 49% | 0.49 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 158.5 | 170.3 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | T162 A163 | S153-T162 CarbonylContact O-C 3.54Å; S153-T162 VanDerWaalsContact O-CA 3.23Å; S153-T162 WeakPolarHBondContact O-CA 3.44Å; S153-T162 WeakPolarHBondContact O-CB 3.29Å; S153-T162 PolarHBondContact O-OG1 3.18Å; S153-A163 PolarHBondContact N-O 3.08Å; S153-A163 PolarHBondContact O-N 3.17Å |
| 154 | G | 94.6 | Very high | 95.5 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 61% | 0.608 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 93.4 | -168.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q152 S161 | Q152-G154 PolarHBondContact NE2-O 3.49Å; G154-S161 CarbonylContact C-O 3.56Å |
| 155 | Q | 93.7 | Very high | 95.5 | Very high | 119 Ų | 119 | 51.2 Ų | 51.2 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | trans | -95.2 | 117.3 | -168.8 | 178.9 | 175.5 | -1 | 0 | 0 | 111.5 | S157 S161 L207 | Q155-S157 PolarHBondContact NE2-OG 3.28Å; Q155-S157 PolarHBondContact O-N 3.15Å; Q155-S161 PolarHBondContact N-O 2.95Å; Q155-S161 CarbonylContact O-C 3.53Å; Q155-S161 PolarHBondContact O-N 3.42Å; Q155-L207 VanDerWaalsContact O-CD1 3.27Å; Q155-L207 WeakPolarHBondContact O-CD1 3.4Å | ||
| 156 | T | 93.9 | Very high | 95.5 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | trans | -97.5 | 34.8 | 179.2 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | Q152 L232 S233 V234 T235 | Q152-T156 HydrophobicContact CG-CG2 4.39Å; T156-L232 HydrophobicContact CG2-CD1 3.69Å; T156-S233 WeakPolarHBondContact CB-O 3.45Å; T156-V234 VanDerWaalsContact O-CA 3.27Å; T156-V234 WeakPolarHBondContact O-CA 3.35Å; T156-T235 PolarHBondContact O-N 3.32Å | ||
| 157 | S | 93.5 | Very high | 95.5 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 162.7 | 169.6 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | Q155 G159 G160 T235 | Q155-S157 PolarHBondContact NE2-OG 3.28Å; Q155-S157 PolarHBondContact O-N 3.15Å; S157-G159 PolarHBondContact O-N 3.45Å; S157-G160 VanDerWaalsContact O-CA 3.3Å; S157-G160 WeakPolarHBondContact O-CA 3.3Å; S157-G160 PolarHBondContact O-N 2.89Å; S157-T235 CarbonylContact C-O 3.6Å; S157-T235 WeakPolarHBondContact CA-O 3.45Å |
| 158 | V | 91.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 138.5 | 168.7 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | G160 L207 L209 V234 T235 E236 | V158-G160 PolarHBondContact O-N 2.97Å; V158-L207 CarbonylContact C-O 3.6Å; V158-L207 WeakPolarHBondContact CA-O 3.15Å; V158-L209 HydrophobicContact CG2-CD2 3.87Å; V158-L209 HydrophobicContact CG2-CG 4.03Å; V158-V234 HydrophobicContact CG2-CG1 4.06Å; V158-T235 PolarHBondContact N-O 2.87Å; V158-E236 HydrophobicContact CG2-CG 4.18Å |
| 159 | G | 89.6 | Confident | 95.4 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 49% | 0.485 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S157 L207 | S157-G159 PolarHBondContact O-N 3.45Å; G159-L207 PolarHBondContact N-O 2.87Å |
| 160 | G | 91.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | trans | -74.2 | -175.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S157 V158 N206 L207 | S157-G160 VanDerWaalsContact O-CA 3.3Å; S157-G160 WeakPolarHBondContact O-CA 3.3Å; S157-G160 PolarHBondContact O-N 2.89Å; V158-G160 PolarHBondContact O-N 2.97Å; G160-N206 PolarHBondContact O-N 3.14Å; G160-L207 PolarHBondContact O-N 2.9Å; G160-L207 VanDerWaalsContact O-N 3.07Å | ||
| 161 | S | 93.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 50 Ų | 50 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 133.6 | -179 | -65 | 0 | 0 | 0 | 0 | 110.7 | G154 Q155 L204 T205 | G154-S161 CarbonylContact C-O 3.56Å; Q155-S161 PolarHBondContact N-O 2.95Å; Q155-S161 CarbonylContact O-C 3.53Å; Q155-S161 PolarHBondContact O-N 3.42Å; S161-L204 CarbonylContact C-O 3.4Å; S161-L204 WeakPolarHBondContact CA-O 3.4Å; S161-T205 WeakPolarHBondContact OG-CB 3.41Å; S161-T205 WeakPolarHBondContact OG-CG2 3.38Å |
| 162 | T | 94.8 | Very high | 95 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 148.7 | -176.1 | -169.2 | 0 | 0 | 0 | 0 | 111.2 | Q152 S153 L204 L207 L232 | Q152-T162 WeakPolarHBondContact CG-OG1 3.2Å; Q152-T162 PolarHBondContact NE2-OG1 3.46Å; S153-T162 CarbonylContact O-C 3.54Å; S153-T162 VanDerWaalsContact O-CA 3.23Å; S153-T162 WeakPolarHBondContact O-CA 3.44Å; S153-T162 WeakPolarHBondContact O-CB 3.29Å; S153-T162 PolarHBondContact O-OG1 3.18Å; T162-L204 HydrophobicContact CG2-CB 4.06Å; T162-L204 HydrophobicContact CG2-CD1 4.23Å; T162-L204 PolarHBondContact N-O 2.94Å; T162-L204 PolarHBondContact O-N 3.37Å; T162-L204 VanDerWaalsContact O-O 3.12Å; T162-L207 HydrophobicContact CG2-CD1 3.85Å; T162-L207 HydrophobicContact CG2-CD2 4.18Å; T162-L232 HydrophobicContact CG2-CD1 4.2Å; T162-L232 HydrophobicContact CG2-CD2 4.29Å |
| 163 | A | 96.2 | Very high | 94.9 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q152 S153 Q201 L202 | Q152-A163 WeakPolarHBondContact CA-O 3.33Å; S153-A163 PolarHBondContact N-O 3.08Å; S153-A163 PolarHBondContact O-N 3.17Å; A163-Q201 HydrophobicContact CB-CG 4.16Å; A163-L202 CarbonylContact C-O 3.55Å; A163-L202 WeakPolarHBondContact CA-O 2.97Å |
| 164 | L | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 139.3 | 163 | -48.1 | -170.6 | 0 | 0 | 0 | 107.8 | S151 Q152 W179 Q201 L202 L204 Y215 L230 | S151-L164 CarbonylContact O-C 3.3Å; S151-L164 WeakPolarHBondContact O-CA 3.39Å; Q152-L164 HydrophobicContact CB-CD2 3.98Å; Q152-L164 HydrophobicContact CG-CD2 3.85Å; L164-W179 HydrophobicContact CB-CH2 3.78Å; L164-W179 HydrophobicContact CB-CZ2 3.64Å; L164-W179 HydrophobicContact CB-CZ3 4.35Å; L164-W179 HydrophobicContact CD1-CE3 4.38Å; L164-W179 HydrophobicContact CD1-CH2 4.29Å; L164-W179 HydrophobicContact CD1-CZ3 4.08Å; L164-Q201 CarbonylContact O-C 3.54Å; L164-Q201 WeakPolarHBondContact O-CA 3.36Å; L164-L202 HydrophobicContact CB-CB 4.42Å; L164-L202 HydrophobicContact CD1-CD2 4.45Å; L164-L202 PolarHBondContact N-O 3.48Å; L164-L202 PolarHBondContact O-N 2.9Å; L164-L204 HydrophobicContact CD1-CD1 4.43Å; L164-L204 HydrophobicContact CG-CD1 4.45Å; L164-Y215 HydrophobicContact CD1-CD1 3.87Å; L164-Y215 HydrophobicContact CD1-CD2 4.04Å; L164-Y215 HydrophobicContact CD1-CG 3.6Å; L164-L230 HydrophobicContact CD1-CD2 4.38Å; L164-L230 HydrophobicContact CD2-CD2 3.85Å |
| 165 | R | 97.6 | Very high | 95 | Very high | 123 Ų | 123 | 51.2 Ų | 51.2 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 133.1 | 179.7 | -171.4 | 177 | -162.5 | 156.4 | 10.2 | 111.6 | C150 S151 G200 | C150-R165 CarbonylContact C-O 3.6Å; C150-R165 WeakPolarHBondContact CA-O 3.22Å; S151-R165 PolarHBondContact N-O 2.98Å; S151-R165 PolarHBondContact O-N 2.9Å; S151-R165 PolarHBondContact OG-O 2.74Å; R165-G200 WeakPolarHBondContact CA-O 3.43Å |
| 166 | C | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.2 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | L149 Y177 W179 G200 C217 | L149-C166 WeakPolarHBondContact O-CA 3.26Å; C166-Y177 HydrophobicContact CB-CD1 4.12Å; C166-Y177 VanDerWaalsContact SG-CD1 3.51Å; C166-W179 HydrophobicContact CB-CZ2 3.68Å; C166-G200 PolarHBondContact N-O 3.05Å; C166-C217 HydrophobicContact CB-CB 3.59Å; C166-C217 WeakPolarHBondContact CB-SG 3.15Å; C166-C217 WeakPolarHBondContact SG-CB 3.29Å; C166-C217 CovalentContact SG-SG 2.02Å; C166-C217 PolarHBondContact SG-SG 2.83Å |
| 167 | S | 97.3 | Very high | 95.4 | Very high | 53 Ų | 53 | 47.9 Ų | 47.9 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 130.5 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | P148 L149 | P148-S167 WeakPolarHBondContact CA-O 3.38Å; L149-S167 PolarHBondContact N-O 2.94Å; L149-S167 PolarHBondContact O-N 2.89Å; L149-S167 VanDerWaalsContact O-N 3.1Å |
| 168 | S | 97.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | trans | -91.4 | 143.6 | 171.4 | -34.1 | 0 | 0 | 0 | 0 | 109.9 | E170 Y177 A219 | S168-E170 WeakPolarHBondContact CB-O 3.49Å; S168-Y177 PolarHBondContact N-OH 3.02Å; S168-Y177 PolarHBondContact OG-OH 2.99Å; S168-A219 WeakPolarHBondContact OG-CB 3.44Å | ||
| 169 | S | 95.8 | Very high | 95.7 | Very high | 104 Ų | 104 | 48.6 Ų | 48.6 | 73% | 0.727 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -72.9 | -29.7 | 172.7 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | S146 | S146-S169 PolarHBondContact OG-N 3.02Å; S146-S169 PolarHBondContact OG-OG 2.85Å |
| 170 | E | 94.7 | Very high | 95.8 | Very high | 112 Ų | 112 | 49.2 Ų | 49.2 | 52% | 0.523 | 28% | 0.276 | S | S | . | . | trans | -132.8 | 159.3 | -173.7 | -65.8 | 165.6 | -126.1 | 0 | 0 | 110.3 | P145 S146 S168 | P145-E170 WeakPolarHBondContact CA-O 3.49Å; S146-E170 PolarHBondContact N-O 2.95Å; S146-E170 VanDerWaalsContact N-O 3.14Å; S146-E170 PolarHBondContact OG-N 3.41Å; S168-E170 WeakPolarHBondContact CB-O 3.49Å | ||
| 171 | G | 95.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 52 Ų | 52 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | trans | 145.5 | 115.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V143 P173 | V143-G171 WeakPolarHBondContact O-CA 3.5Å; G171-P173 CarbonylContact C-O 3.52Å; G171-P173 CarbonylContact O-C 3.51Å | ||
| 172 | A | 95.9 | Very high | 95.4 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 20% | 0.198 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -131.6 | 112.9 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | V141 L142 V143 N221 | V141-A172 WeakPolarHBondContact O-CB 3.09Å; L142-A172 CarbonylContact C-O 3.59Å; L142-A172 VanDerWaalsContact CA-O 3.3Å; L142-A172 WeakPolarHBondContact CA-O 3.34Å; V143-A172 HydrophobicContact CB-CB 4.12Å; V143-A172 HydrophobicContact CG2-CB 4.13Å; V143-A172 PolarHBondContact N-O 3.41Å; V143-A172 PolarHBondContact O-N 2.57Å; A172-N221 PolarHBondContact N-ND2 2.99Å |
| 173 | P | 95.5 | Very high | 94.4 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | S | Bend | cis | -62.2 | 164.7 | -1.6 | -17.9 | 33.4 | 0 | 0 | 0 | 112.4 | G171 N221 Q222 | G171-P173 CarbonylContact C-O 3.52Å; G171-P173 CarbonylContact O-C 3.51Å; P173-N221 PolarHBondContact O-ND2 3.28Å; P173-Q222 HydrophobicContact CG-CG 4.35Å |
| 174 | K | 95.4 | Very high | 92.9 | Very high | 189 Ų | 189 | 56.4 Ų | 56.4 | 82% | 0.822 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 132.7 | 176.5 | -71.5 | -173.1 | 177 | -177.8 | 0 | 110 | ||
| 175 | P | 97.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 66.2 Ų | 66.2 | 8% | 0.078 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 149.2 | -178.9 | 28.4 | -34.1 | 0 | 0 | 0 | 112 | P145 Y177 A219 T220 N221 | P145-P175 HydrophobicContact CB-CB 4.14Å; P145-P175 HydrophobicContact CB-CG 4.31Å; P145-P175 HydrophobicContact CG-CB 3.99Å; P175-Y177 HydrophobicContact CG-CE1 4.3Å; P175-Y177 HydrophobicContact CG-CE2 4.28Å; P175-Y177 WeakPolarHBondContact O-CE2 3.44Å; P175-A219 HydrophobicContact CB-CB 4.18Å; P175-A219 HydrophobicContact CG-CB 4.46Å; P175-T220 CarbonylContact C-O 3.57Å; P175-T220 WeakPolarHBondContact CA-O 3.05Å; P175-T220 WeakPolarHBondContact CB-O 3.05Å; P175-N221 HydrophobicContact CB-CB 4.49Å |
| 176 | V | 98 | Very high | 88.6 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 149.3 | 161.1 | -66.4 | 0 | 0 | 0 | 0 | 109.5 | E197 A219 T220 | V176-E197 CarbonylContact C-O 3.36Å; V176-E197 WeakPolarHBondContact CA-O 3.31Å; V176-E197 HydrophobicContact CB-CB 4.48Å; V176-A219 CarbonylContact O-C 3.56Å; V176-A219 WeakPolarHBondContact O-CA 3.17Å; V176-T220 PolarHBondContact N-O 2.72Å; V176-T220 PolarHBondContact O-N 2.86Å |
| 177 | Y | 97.8 | Very high | 86.3 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 8% | 0.082 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120.2 | -171.7 | -62.4 | -83.6 | 0 | 0 | 0 | 111.2 | C166 S168 P175 E197 V218 A219 | C166-Y177 HydrophobicContact CB-CD1 4.12Å; C166-Y177 VanDerWaalsContact SG-CD1 3.51Å; S168-Y177 PolarHBondContact N-OH 3.02Å; S168-Y177 PolarHBondContact OG-OH 2.99Å; P175-Y177 HydrophobicContact CG-CE1 4.3Å; P175-Y177 HydrophobicContact CG-CE2 4.28Å; P175-Y177 WeakPolarHBondContact O-CE2 3.44Å; Y177-E197 WeakPolarHBondContact CD2-O 3.5Å; Y177-E197 PolarHBondContact N-O 3.45Å; Y177-E197 WeakPolarHBondContact O-CA 3.31Å; Y177-V218 WeakPolarHBondContact CA-O 3.03Å; Y177-A219 HydrophobicContact CD1-CB 3.62Å; Y177-A219 HydrophobicContact CE1-CB 3.53Å |
| 178 | N | 96.3 | Very high | 84.2 | Confident | 73 Ų | 73 | 70 Ų | 70 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.3 | 174.3 | -171 | 19 | 0 | 0 | 0 | 111.3 | Q195 C217 V218 | N178-Q195 PolarHBondContact OD1-NE2 3.4Å; N178-C217 CarbonylContact O-C 3.15Å; N178-C217 WeakPolarHBondContact O-CA 3.46Å; N178-V218 PolarHBondContact N-O 2.8Å; N178-V218 PolarHBondContact O-N 2.03Å |
| 179 | W | 95.1 | Very high | 82 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 5% | 0.049 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.8 | 174.3 | -77.3 | 97.4 | 0 | 0 | 0 | 111.3 | C150 L164 C166 Q195 G200 L202 R216 C217 | C150-W179 HydrophobicContact CB-CH2 4.18Å; C150-W179 VanDerWaalsContact SG-CH2 3.53Å; L164-W179 HydrophobicContact CB-CH2 3.78Å; L164-W179 HydrophobicContact CB-CZ2 3.64Å; L164-W179 HydrophobicContact CB-CZ3 4.35Å; L164-W179 HydrophobicContact CD1-CE3 4.38Å; L164-W179 HydrophobicContact CD1-CH2 4.29Å; L164-W179 HydrophobicContact CD1-CZ3 4.08Å; C166-W179 HydrophobicContact CB-CZ2 3.68Å; W179-Q195 VanDerWaalsContact N-OE1 3.13Å; W179-Q195 PolarHBondContact O-OE1 3.06Å; W179-G200 PolarHBondContact NE1-O 3.03Å; W179-L202 HydrophobicContact CB-CB 4.12Å; W179-L202 HydrophobicContact CB-CD2 3.73Å; W179-L202 HydrophobicContact CB-CG 4.47Å; W179-L202 HydrophobicContact CD2-CB 4.31Å; W179-L202 HydrophobicContact CG-CB 3.78Å; W179-L202 HydrophobicContact CG-CD2 4.09Å; W179-R216 WeakPolarHBondContact CA-O 3.26Å; W179-C217 HydrophobicContact CD2-CB 3.82Å; W179-C217 HydrophobicContact CE3-CB 3.84Å; W179-C217 HydrophobicContact CH2-CB 4.06Å; W179-C217 HydrophobicContact CZ2-CB 4.02Å; W179-C217 HydrophobicContact CZ3-CB 3.96Å |
| 180 | V | 90.9 | Very high | 79.7 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.2 | 174.6 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | L182 Y215 R216 | V180-L182 HydrophobicContact CG2-CD2 4.31Å; V180-Y215 CarbonylContact O-C 3.45Å; V180-Y215 WeakPolarHBondContact O-CA 3.26Å; V180-R216 HydrophobicContact CG2-CB 4.05Å; V180-R216 PolarHBondContact N-O 2.94Å; V180-R216 PolarHBondContact O-N 2.89Å |
| 181 | R | 88.5 | Confident | 77.7 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 24% | 0.238 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 127.8 | 171.1 | -174.2 | 176.2 | 172.1 | -170.1 | 0.9 | 109.5 | S184 T210 S212 Y215 | R181-S184 VanDerWaalsContact CD-OG 3.32Å; R181-S184 WeakPolarHBondContact CD-OG 3.32Å; R181-S184 WeakPolarHBondContact CG-OG 3.44Å; R181-T210 PolarHBondContact NH1-O 2.94Å; R181-T210 PolarHBondContact NH2-O 3.49Å; R181-S212 PolarHBondContact NH2-O 3.46Å; R181-Y215 HydrophobicContact CB-CD1 4.18Å; R181-Y215 HydrophobicContact CB-CE1 4.07Å; R181-Y215 HydrophobicContact CG-CE1 4.35Å; R181-Y215 HydrophobicContact CG-CE2 4.37Å |
| 182 | L | 87.4 | Confident | 76.4 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 28% | 0.277 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -80.9 | 142.8 | 179.7 | -57.1 | -176.4 | 0 | 0 | 0 | 110.9 | V180 S184 T214 R216 E229 | V180-L182 HydrophobicContact CG2-CD2 4.31Å; L182-S184 PolarHBondContact O-N 2.86Å; L182-S184 VanDerWaalsContact O-N 3.13Å; L182-T214 HydrophobicContact CD1-CG2 4.01Å; L182-T214 PolarHBondContact N-O 2.96Å; L182-R216 HydrophobicContact CD1-CB 4.17Å; L182-R216 HydrophobicContact CD2-CB 3.93Å; L182-R216 HydrophobicContact CG-CB 4.07Å; L182-E229 HydrophobicContact CD1-CG 4.33Å |
| 183 | G | 74.8 | Confident | 75.8 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 90% | 0.897 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 74.5 | -9.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 184 | S | 63.8 | Low | 75.5 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 19% | 0.189 | 47% | 0.468 | C | S | . | . | trans | -93.7 | 104 | 179.1 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | R181 L182 P186 | R181-S184 VanDerWaalsContact CD-OG 3.32Å; R181-S184 WeakPolarHBondContact CD-OG 3.32Å; R181-S184 WeakPolarHBondContact CG-OG 3.44Å; L182-S184 PolarHBondContact O-N 2.86Å; L182-S184 VanDerWaalsContact O-N 3.13Å; S184-P186 CarbonylContact C-O 3.6Å; S184-P186 CarbonylContact O-C 3.51Å | ||
| 185 | F | 50.7 | Low | 75.4 | Confident | 207 Ų | 207 | 72.6 Ų | 72.6 | 91% | 0.908 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -112.9 | 131.9 | 157.2 | -81.7 | -83.5 | 0 | 0 | 0 | 109.1 | ||
| 186 | P | 53.2 | Low | 75.2 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 71% | 0.708 | 46% | 0.457 | S | S | * | . | S | Bend | cis | -66 | 169.2 | -8.3 | 31.4 | -36.7 | 0 | 0 | 0 | 112.5 | S184 | S184-P186 CarbonylContact C-O 3.6Å; S184-P186 CarbonylContact O-C 3.51Å |
| 187 | T | 51.1 | Low | 75.1 | Confident | 110 Ų | 110 | 76.7 Ų | 76.7 | 68% | 0.675 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 149 | 163.9 | -2 | 0 | 0 | 0 | 0 | 110.2 | S189 | T187-S189 PolarHBondContact O-N 3.42Š|
| 188 | P | 51.8 | Low | 75 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 23% | 0.227 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -53 | 138.9 | 173.8 | -23.7 | 33.5 | 0 | 0 | 0 | 110.9 | M193 | P188-M193 HydrophobicContact CB-CE 3.82Å; P188-M193 HydrophobicContact CB-SD 3.88Å; P188-M193 HydrophobicContact CG-CE 4.09Å; P188-M193 HydrophobicContact CG-SD 3.97Å |
| 189 | S | 50.8 | Low | 74.9 | Confident | 96 Ų | 96 | 79.7 Ų | 79.7 | 67% | 0.671 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 142.3 | -178 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | T187 G191 | T187-S189 PolarHBondContact O-N 3.42Å; S189-G191 VanDerWaalsContact C-N 3.3Å; S189-G191 PolarHBondContact O-N 2.81Å |
| 190 | P | 48.2 | Very low | 75 | Confident | 145 Ų | 145 | 79.1 Ų | 79.1 | 94% | 0.942 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -65.6 | 88.1 | -177.4 | 27.4 | -35.2 | 0 | 0 | 0 | 111.2 | ||
| 191 | G | 52.5 | Low | 75.2 | Confident | 48 Ų | 48 | 79 Ų | 79 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -158.3 | 101 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109 | S189 M193 | S189-G191 VanDerWaalsContact C-N 3.3Å; S189-G191 PolarHBondContact O-N 2.81Å; G191-M193 PolarHBondContact O-N 2.88Å |
| 192 | S | 69.6 | Low | 75.6 | Confident | 66 Ų | 66 | 76.4 Ų | 76.4 | 46% | 0.462 | 47% | 0.467 | S | S | . | . | S | Bend | trans | 61.6 | 33.2 | 165.5 | -105.9 | 0 | 0 | 0 | 0 | 117.5 | T205 | S192-T205 WeakPolarHBondContact CB-OG1 3.45Å; S192-T205 PolarHBondContact O-N 2.95Å; S192-T205 VanDerWaalsContact O-N 3.07Å; S192-T205 PolarHBondContact OG-OG1 3.48Å |
| 193 | M | 83.2 | Confident | 75.9 | Confident | 75 Ų | 75 | 76.8 Ų | 76.8 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.7 | 156.6 | -57 | -164.8 | -64.6 | 0 | 0 | 108.9 | P188 G191 L202 I203 L204 | P188-M193 HydrophobicContact CB-CE 3.82Å; P188-M193 HydrophobicContact CB-SD 3.88Å; P188-M193 HydrophobicContact CG-CE 4.09Å; P188-M193 HydrophobicContact CG-SD 3.97Å; G191-M193 PolarHBondContact O-N 2.88Å; M193-L202 HydrophobicContact CB-CD1 4.38Å; M193-I203 WeakPolarHBondContact CA-O 3.44Å; M193-L204 HydrophobicContact CB-CD2 4.15Å; M193-L204 HydrophobicContact CG-CD2 3.6Å; M193-L204 HydrophobicContact SD-CD2 3.9Å |
| 194 | V | 88.9 | Confident | 76.8 | Confident | 89 Ų | 89 | 73 Ų | 73 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 123.6 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | L202 I203 | V194-L202 CarbonylContact O-C 3.38Å; V194-L202 WeakPolarHBondContact O-CA 3.46Å; V194-I203 HydrophobicContact CB-CB 4.38Å; V194-I203 PolarHBondContact N-O 3.49Å; V194-I203 PolarHBondContact O-N 3.19Å |
| 195 | Q | 92.7 | Very high | 78.2 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135 | -178 | -177.1 | 171.6 | -62.3 | 0 | 0 | 111 | N178 W179 Q201 L202 | N178-Q195 PolarHBondContact OD1-NE2 3.4Å; W179-Q195 VanDerWaalsContact N-OE1 3.13Å; W179-Q195 PolarHBondContact O-OE1 3.06Å; Q195-Q201 CarbonylContact C-O 3.6Å; Q195-Q201 WeakPolarHBondContact CA-O 3.36Å; Q195-L202 HydrophobicContact CB-CD1 4.25Å |
| 196 | D | 94.5 | Very high | 80.1 | Confident | 69 Ų | 69 | 70 Ų | 70 | 37% | 0.369 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 107.2 | 169.1 | 172.5 | -2.6 | 0 | 0 | 0 | 108.5 | V198 S199 G200 Q201 | D196-V198 PolarHBondContact O-N 3.15Å; D196-V198 WeakPolarHBondContact OD1-CA 3.43Å; D196-V198 WeakPolarHBondContact OD1-CB 3.21Å; D196-V198 PolarHBondContact OD1-N 2.97Å; D196-S199 PolarHBondContact OD1-N 2.85Å; D196-S199 WeakPolarHBondContact OD2-CB 3.33Å; D196-S199 PolarHBondContact OD2-OG 3.09Å; D196-G200 WeakPolarHBondContact O-CA 3.21Å; D196-G200 PolarHBondContact O-N 2.8Å; D196-Q201 PolarHBondContact N-O 2.93Å; D196-Q201 PolarHBondContact O-N 3.33Å |
| 197 | E | 95.3 | Very high | 81.8 | Confident | 102 Ų | 102 | 65 Ų | 65 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.7 | -177.8 | -54.6 | -171.1 | 148.1 | 0 | 0 | 113.5 | V176 Y177 | V176-E197 CarbonylContact C-O 3.36Å; V176-E197 WeakPolarHBondContact CA-O 3.31Å; V176-E197 HydrophobicContact CB-CB 4.48Å; Y177-E197 WeakPolarHBondContact CD2-O 3.5Å; Y177-E197 PolarHBondContact N-O 3.45Å; Y177-E197 WeakPolarHBondContact O-CA 3.31Å |
| 198 | V | 95.1 | Very high | 83.6 | Confident | 121 Ų | 121 | 61.7 Ų | 61.7 | 73% | 0.733 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -40.2 | -177.8 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | D196 | D196-V198 PolarHBondContact O-N 3.15Å; D196-V198 WeakPolarHBondContact OD1-CA 3.43Å; D196-V198 WeakPolarHBondContact OD1-CB 3.21Å; D196-V198 PolarHBondContact OD1-N 2.97Å |
| 199 | S | 95.2 | Very high | 85.4 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -9.5 | 174.9 | 78.4 | 0 | 0 | 0 | 0 | 114.6 | D196 Q201 | D196-S199 PolarHBondContact OD1-N 2.85Å; D196-S199 WeakPolarHBondContact OD2-CB 3.33Å; D196-S199 PolarHBondContact OD2-OG 3.09Å; S199-Q201 VanDerWaalsContact C-N 3.34Å |
| 200 | G | 96.1 | Very high | 87 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 21.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R165 C166 W179 D196 | R165-G200 WeakPolarHBondContact CA-O 3.43Å; C166-G200 PolarHBondContact N-O 3.05Å; W179-G200 PolarHBondContact NE1-O 3.03Å; D196-G200 WeakPolarHBondContact O-CA 3.21Å; D196-G200 PolarHBondContact O-N 2.8Å |
| 201 | Q | 96.1 | Very high | 88.9 | Confident | 58 Ų | 58 | 59 Ų | 59 | 27% | 0.271 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.3 | -174.9 | -175.1 | 165 | 95 | 0 | 0 | 112.1 | A163 L164 Q195 D196 S199 I203 | A163-Q201 HydrophobicContact CB-CG 4.16Å; L164-Q201 CarbonylContact O-C 3.54Å; L164-Q201 WeakPolarHBondContact O-CA 3.36Å; Q195-Q201 CarbonylContact C-O 3.6Å; Q195-Q201 WeakPolarHBondContact CA-O 3.36Å; D196-Q201 PolarHBondContact N-O 2.93Å; D196-Q201 PolarHBondContact O-N 3.33Å; S199-Q201 VanDerWaalsContact C-N 3.34Å; Q201-I203 HydrophobicContact CG-CG1 3.94Å |
| 202 | L | 95.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.3 | 163.8 | 172 | 63.2 | 0 | 0 | 0 | 108.5 | A163 L164 W179 M193 V194 Q195 L204 Y215 | A163-L202 CarbonylContact C-O 3.55Å; A163-L202 WeakPolarHBondContact CA-O 2.97Å; L164-L202 HydrophobicContact CB-CB 4.42Å; L164-L202 HydrophobicContact CD1-CD2 4.45Å; L164-L202 PolarHBondContact N-O 3.48Å; L164-L202 PolarHBondContact O-N 2.9Å; W179-L202 HydrophobicContact CB-CB 4.12Å; W179-L202 HydrophobicContact CB-CD2 3.73Å; W179-L202 HydrophobicContact CB-CG 4.47Å; W179-L202 HydrophobicContact CD2-CB 4.31Å; W179-L202 HydrophobicContact CG-CB 3.78Å; W179-L202 HydrophobicContact CG-CD2 4.09Å; M193-L202 HydrophobicContact CB-CD1 4.38Å; V194-L202 CarbonylContact O-C 3.38Å; V194-L202 WeakPolarHBondContact O-CA 3.46Å; Q195-L202 HydrophobicContact CB-CD1 4.25Å; L202-L204 HydrophobicContact CD1-CD2 4.11Å; L202-L204 HydrophobicContact CD2-CD2 4.08Å; L202-L204 HydrophobicContact CG-CD2 3.94Å; L202-L204 HydrophobicContact CG-CG 4.24Å; L202-Y215 HydrophobicContact CD2-CD1 3.81Å; L202-Y215 HydrophobicContact CD2-CE1 3.94Å |
| 203 | I | 94.8 | Very high | 91.7 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 131.3 | 173.7 | -50.7 | 178.3 | 0 | 0 | 0 | 108.4 | M193 V194 Q201 T205 | M193-I203 WeakPolarHBondContact CA-O 3.44Å; V194-I203 HydrophobicContact CB-CB 4.38Å; V194-I203 PolarHBondContact N-O 3.49Å; V194-I203 PolarHBondContact O-N 3.19Å; Q201-I203 HydrophobicContact CG-CG1 3.94Å; I203-T205 HydrophobicContact CG2-CG2 3.84Å |
| 204 | L | 93.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.9 | 174.1 | -55.7 | 174.2 | 0 | 0 | 0 | 108.1 | S161 T162 L164 M193 L202 L207 Y215 L232 | S161-L204 CarbonylContact C-O 3.4Å; S161-L204 WeakPolarHBondContact CA-O 3.4Å; T162-L204 HydrophobicContact CG2-CB 4.06Å; T162-L204 HydrophobicContact CG2-CD1 4.23Å; T162-L204 PolarHBondContact N-O 2.94Å; T162-L204 PolarHBondContact O-N 3.37Å; T162-L204 VanDerWaalsContact O-O 3.12Å; L164-L204 HydrophobicContact CD1-CD1 4.43Å; L164-L204 HydrophobicContact CG-CD1 4.45Å; M193-L204 HydrophobicContact CB-CD2 4.15Å; M193-L204 HydrophobicContact CG-CD2 3.6Å; M193-L204 HydrophobicContact SD-CD2 3.9Å; L202-L204 HydrophobicContact CD1-CD2 4.11Å; L202-L204 HydrophobicContact CD2-CD2 4.08Å; L202-L204 HydrophobicContact CG-CD2 3.94Å; L202-L204 HydrophobicContact CG-CG 4.24Å; L204-L207 HydrophobicContact CB-CD2 3.81Å; L204-L207 HydrophobicContact CD1-CD2 4.47Å; L204-Y215 HydrophobicContact CD1-CE1 4.06Å; L204-Y215 HydrophobicContact CD1-CE2 4.49Å; L204-Y215 HydrophobicContact CD2-CE1 4.49Å; L204-L232 HydrophobicContact CD1-CD2 3.64Å |
| 205 | T | 92.6 | Very high | 92.4 | Very high | 45 Ų | 45 | 50.6 Ų | 50.6 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 158.8 | 177 | 75.5 | 0 | 0 | 0 | 0 | 112.2 | S161 S192 I203 | S161-T205 WeakPolarHBondContact OG-CB 3.41Å; S161-T205 WeakPolarHBondContact OG-CG2 3.38Å; S192-T205 WeakPolarHBondContact CB-OG1 3.45Å; S192-T205 PolarHBondContact O-N 2.95Å; S192-T205 VanDerWaalsContact O-N 3.07Å; S192-T205 PolarHBondContact OG-OG1 3.48Å; I203-T205 HydrophobicContact CG2-CG2 3.84Å |
| 206 | N | 90.4 | Very high | 92.6 | Very high | 127 Ų | 127 | 51.9 Ų | 51.9 | 68% | 0.679 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 55.8 | 51.9 | -169.3 | -168.4 | 30.9 | 0 | 0 | 0 | 112.5 | G160 | G160-N206 PolarHBondContact O-N 3.14Š|
| 207 | L | 90.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | trans | -58 | 145.5 | -176.8 | -68.1 | 173.8 | 0 | 0 | 0 | 113 | Q155 V158 G159 G160 T162 L204 L232 V234 | Q155-L207 VanDerWaalsContact O-CD1 3.27Å; Q155-L207 WeakPolarHBondContact O-CD1 3.4Å; V158-L207 CarbonylContact C-O 3.6Å; V158-L207 WeakPolarHBondContact CA-O 3.15Å; G159-L207 PolarHBondContact N-O 2.87Å; G160-L207 PolarHBondContact O-N 2.9Å; G160-L207 VanDerWaalsContact O-N 3.07Å; T162-L207 HydrophobicContact CG2-CD1 3.85Å; T162-L207 HydrophobicContact CG2-CD2 4.18Å; L204-L207 HydrophobicContact CB-CD2 3.81Å; L204-L207 HydrophobicContact CD1-CD2 4.47Å; L207-L232 HydrophobicContact CD2-CD2 4.34Å; L207-V234 HydrophobicContact CB-CG1 4.03Å; L207-V234 HydrophobicContact CB-CG2 4.28Å; L207-V234 HydrophobicContact CD1-CG2 4.22Å; L207-V234 HydrophobicContact CD2-CG2 4.39Å | ||
| 208 | S | 89.3 | Confident | 92.8 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | -121.8 | 167.1 | 171.9 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | T210 S211 V234 | S208-T210 PolarHBondContact O-N 2.86Å; S208-T210 PolarHBondContact OG-N 2.74Å; S208-T210 PolarHBondContact OG-OG1 2.91Å; S208-S211 PolarHBondContact N-OG 2.84Å; S208-S211 VanDerWaalsContact O-CB 3.25Å; S208-S211 WeakPolarHBondContact O-CB 3.36Å; S208-S211 PolarHBondContact O-N 3.45Å; S208-S211 PolarHBondContact O-OG 2.74Å; S208-S211 PolarHBondContact OG-N 2.79Å; S208-S211 VanDerWaalsContact OG-N 3.17Å; S208-S211 PolarHBondContact OG-OG 2.68Å; S208-V234 WeakPolarHBondContact O-CB 3.43Å; S208-V234 WeakPolarHBondContact O-CG1 3.47Å | ||
| 209 | L | 87.7 | Confident | 93 | Very high | 88 Ų | 88 | 39.8 Ų | 39.8 | 46% | 0.461 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -55.2 | -35.8 | 168.3 | -63.1 | -178.4 | 0 | 0 | 0 | 111.5 | V158 S211 S212 V234 E236 | V158-L209 HydrophobicContact CG2-CD2 3.87Å; V158-L209 HydrophobicContact CG2-CG 4.03Å; L209-S211 PolarHBondContact O-N 2.84Å; L209-S212 VanDerWaalsContact O-CB 3.28Å; L209-S212 WeakPolarHBondContact O-CB 3.31Å; L209-S212 PolarHBondContact O-N 2.88Å; L209-S212 VanDerWaalsContact O-N 3.08Å; L209-S212 PolarHBondContact O-OG 2.91Å; L209-V234 VanDerWaalsContact CD2-O 3.25Å; L209-V234 WeakPolarHBondContact CD2-O 3.45Å; L209-E236 HydrophobicContact CD1-CG 4.31Å; L209-E236 HydrophobicContact CD2-CG 4.1Å; L209-E236 HydrophobicContact CG-CG 4.49Å |
| 210 | T | 85.8 | Confident | 93.1 | Very high | 110 Ų | 110 | 40.7 Ų | 40.7 | 68% | 0.675 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -72.3 | -4.5 | 175.7 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | R181 S208 S212 | R181-T210 PolarHBondContact NH1-O 2.94Å; R181-T210 PolarHBondContact NH2-O 3.49Å; S208-T210 PolarHBondContact O-N 2.86Å; S208-T210 PolarHBondContact OG-N 2.74Å; S208-T210 PolarHBondContact OG-OG1 2.91Å; T210-S212 VanDerWaalsContact C-N 3.34Å |
| 211 | S | 87.1 | Confident | 93.2 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -78.5 | -15.4 | 165.3 | -48.1 | 0 | 0 | 0 | 0 | 113 | S208 L209 Y215 | S208-S211 PolarHBondContact N-OG 2.84Å; S208-S211 VanDerWaalsContact O-CB 3.25Å; S208-S211 WeakPolarHBondContact O-CB 3.36Å; S208-S211 PolarHBondContact O-N 3.45Å; S208-S211 PolarHBondContact O-OG 2.74Å; S208-S211 PolarHBondContact OG-N 2.79Å; S208-S211 VanDerWaalsContact OG-N 3.17Å; S208-S211 PolarHBondContact OG-OG 2.68Å; L209-S211 PolarHBondContact O-N 2.84Å; S211-Y215 PolarHBondContact O-OH 3.47Å |
| 212 | S | 90.3 | Very high | 93.2 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 25% | 0.245 | 25% | 0.25 | C | S | . | . | trans | -66.9 | 141.7 | -179.5 | -49.9 | 0 | 0 | 0 | 0 | 112.6 | R181 L209 T210 L232 V234 | R181-S212 PolarHBondContact NH2-O 3.46Å; L209-S212 VanDerWaalsContact O-CB 3.28Å; L209-S212 WeakPolarHBondContact O-CB 3.31Å; L209-S212 PolarHBondContact O-N 2.88Å; L209-S212 VanDerWaalsContact O-N 3.08Å; L209-S212 PolarHBondContact O-OG 2.91Å; T210-S212 VanDerWaalsContact C-N 3.34Å; S212-L232 CarbonylContact C-O 3.54Å; S212-L232 VanDerWaalsContact CA-O 3.28Å; S212-L232 WeakPolarHBondContact CA-O 3.47Å; S212-V234 WeakPolarHBondContact OG-CB 3.43Å; S212-V234 PolarHBondContact OG-N 3.08Å | ||
| 213 | G | 90.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 47.9 Ų | 47.9 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.3 | -178.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y215 L232 | G213-Y215 WeakPolarHBondContact O-CD2 3.49Å; G213-L232 PolarHBondContact N-O 2.93Å; G213-L232 PolarHBondContact O-N 3.38Å |
| 214 | T | 93.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.2 | 179.8 | -47 | 0 | 0 | 0 | 0 | 111.3 | L182 E229 | L182-T214 HydrophobicContact CD1-CG2 4.01Å; L182-T214 PolarHBondContact N-O 2.96Å; T214-E229 HydrophobicContact CG2-CB 3.95Å; T214-E229 HydrophobicContact CG2-CG 4.26Å; T214-E229 WeakPolarHBondContact CG2-OE2 3.17Å |
| 215 | Y | 94 | Very high | 93.7 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.3 | 171.8 | -71.7 | -104.6 | 0 | 0 | 0 | 108.6 | L164 V180 R181 L202 L204 S211 G213 E229 L230 L232 | L164-Y215 HydrophobicContact CD1-CD1 3.87Å; L164-Y215 HydrophobicContact CD1-CD2 4.04Å; L164-Y215 HydrophobicContact CD1-CG 3.6Å; V180-Y215 CarbonylContact O-C 3.45Å; V180-Y215 WeakPolarHBondContact O-CA 3.26Å; R181-Y215 HydrophobicContact CB-CD1 4.18Å; R181-Y215 HydrophobicContact CB-CE1 4.07Å; R181-Y215 HydrophobicContact CG-CE1 4.35Å; R181-Y215 HydrophobicContact CG-CE2 4.37Å; L202-Y215 HydrophobicContact CD2-CD1 3.81Å; L202-Y215 HydrophobicContact CD2-CE1 3.94Å; L204-Y215 HydrophobicContact CD1-CE1 4.06Å; L204-Y215 HydrophobicContact CD1-CE2 4.49Å; L204-Y215 HydrophobicContact CD2-CE1 4.49Å; S211-Y215 PolarHBondContact O-OH 3.47Å; G213-Y215 WeakPolarHBondContact O-CD2 3.49Å; Y215-E229 CarbonylContact O-C 3.6Å; Y215-E229 WeakPolarHBondContact O-CA 3.43Å; Y215-L230 PolarHBondContact N-O 2.91Å; Y215-L230 PolarHBondContact O-N 3.29Å; Y215-L232 HydrophobicContact CD2-CB 4.03Å; Y215-L232 HydrophobicContact CE2-CB 3.92Å; Y215-L232 HydrophobicContact CE2-CD2 3.96Å |
| 216 | R | 96 | Very high | 93.9 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.1 | 174.1 | -174.6 | -177.4 | -69.9 | 160.1 | -2.6 | 109.3 | W179 V180 L182 V218 C228 E229 | W179-R216 WeakPolarHBondContact CA-O 3.26Å; V180-R216 HydrophobicContact CG2-CB 4.05Å; V180-R216 PolarHBondContact N-O 2.94Å; V180-R216 PolarHBondContact O-N 2.89Å; L182-R216 HydrophobicContact CD1-CB 4.17Å; L182-R216 HydrophobicContact CD2-CB 3.93Å; L182-R216 HydrophobicContact CG-CB 4.07Å; R216-V218 HydrophobicContact CG-CG2 4.41Å; R216-C228 CarbonylContact C-O 3.52Å; R216-C228 VanDerWaalsContact CA-O 3.31Å; R216-C228 WeakPolarHBondContact CA-O 3.42Å; R216-E229 HydrophobicContact CB-CG 3.9Å; R216-E229 HydrophobicContact CG-CG 3.87Å; R216-E229 IonicContact CZ-OE1 3.13Å; R216-E229 IonicContact NE-OE1 2.77Å; R216-E229 PolarHBondContact NE-OE1 2.8Å; R216-E229 IonicContact NH2-OE1 2.67Å; R216-E229 PolarHBondContact NH2-OE1 2.89Å |
| 217 | C | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139.9 | 163.3 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | C166 N178 W179 S227 C228 | C166-C217 HydrophobicContact CB-CB 3.59Å; C166-C217 WeakPolarHBondContact CB-SG 3.15Å; C166-C217 WeakPolarHBondContact SG-CB 3.29Å; C166-C217 CovalentContact SG-SG 2.02Å; C166-C217 PolarHBondContact SG-SG 2.83Å; N178-C217 CarbonylContact O-C 3.15Å; N178-C217 WeakPolarHBondContact O-CA 3.46Å; W179-C217 HydrophobicContact CD2-CB 3.82Å; W179-C217 HydrophobicContact CE3-CB 3.84Å; W179-C217 HydrophobicContact CH2-CB 4.06Å; W179-C217 HydrophobicContact CZ2-CB 4.02Å; W179-C217 HydrophobicContact CZ3-CB 3.96Å; C217-S227 CarbonylContact O-C 3.6Å; C217-S227 WeakPolarHBondContact O-CA 3.31Å; C217-S227 WeakPolarHBondContact O-CB 3.14Å; C217-C228 PolarHBondContact N-O 3.2Å; C217-C228 PolarHBondContact O-N 2.84Å |
| 218 | V | 97.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 46 Ų | 46 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 112.1 | 168.2 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | Y177 N178 R216 A226 | Y177-V218 WeakPolarHBondContact CA-O 3.03Å; N178-V218 PolarHBondContact N-O 2.8Å; N178-V218 PolarHBondContact O-N 2.03Å; R216-V218 HydrophobicContact CG-CG2 4.41Å; V218-A226 CarbonylContact C-O 3.54Å |
| 219 | A | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | P145 P148 S168 P175 V176 Y177 S225 A226 | P145-A219 HydrophobicContact CB-CB 4.04Å; P148-A219 HydrophobicContact CB-CB 4.35Å; P148-A219 HydrophobicContact CG-CB 4.17Å; S168-A219 WeakPolarHBondContact OG-CB 3.44Å; P175-A219 HydrophobicContact CB-CB 4.18Å; P175-A219 HydrophobicContact CG-CB 4.46Å; V176-A219 CarbonylContact O-C 3.56Å; V176-A219 WeakPolarHBondContact O-CA 3.17Å; Y177-A219 HydrophobicContact CD1-CB 3.62Å; Y177-A219 HydrophobicContact CE1-CB 3.53Å; A219-S225 CarbonylContact O-C 3.57Å; A219-S225 WeakPolarHBondContact O-CA 3.34Å; A219-S225 WeakPolarHBondContact O-CB 3.17Å; A219-A226 PolarHBondContact N-O 3.5Å; A219-A226 PolarHBondContact O-N 3.15Å |
| 220 | T | 98.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 46 Ų | 46 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.3 | -172.9 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | P175 V176 | P175-T220 CarbonylContact C-O 3.57Å; P175-T220 WeakPolarHBondContact CA-O 3.05Å; P175-T220 WeakPolarHBondContact CB-O 3.05Å; V176-T220 PolarHBondContact N-O 2.72Å; V176-T220 PolarHBondContact O-N 2.86Å |
| 221 | N | 97.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | -177.8 | 161.8 | 76.2 | 12.4 | 0 | 0 | 0 | 110.4 | V143 P145 A172 P173 P175 M223 G224 | V143-N221 PolarHBondContact O-ND2 2.99Å; P145-N221 HydrophobicContact CG-CB 4.48Å; A172-N221 PolarHBondContact N-ND2 2.99Å; P173-N221 PolarHBondContact O-ND2 3.28Å; P175-N221 HydrophobicContact CB-CB 4.49Å; N221-M223 PolarHBondContact O-N 3.48Å; N221-M223 WeakPolarHBondContact OD1-CA 3.34Å; N221-M223 WeakPolarHBondContact OD1-CB 3.48Å; N221-M223 PolarHBondContact OD1-N 2.64Å; N221-G224 PolarHBondContact N-O 2.95Å; N221-G224 PolarHBondContact O-N 2.79Å; N221-G224 VanDerWaalsContact O-N 3.07Å; N221-G224 PolarHBondContact OD1-N 2.75Å |
| 222 | Q | 96.6 | Very high | 96.2 | Very high | 123 Ų | 123 | 44.9 Ų | 44.9 | 58% | 0.575 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -11.1 | -178.1 | 64.9 | -179 | 6.7 | 0 | 0 | 115.6 | P173 | P173-Q222 HydrophobicContact CG-CG 4.35Š|
| 223 | M | 97.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 37% | 0.365 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -4.5 | 176.9 | -61.5 | -73 | 87.1 | 0 | 0 | 113.4 | P36 L142 P144 N221 | P36-M223 HydrophobicContact CB-SD 4.07Å; P36-M223 HydrophobicContact CG-SD 3.99Å; L142-M223 HydrophobicContact CB-CG 3.6Å; L142-M223 HydrophobicContact CB-SD 3.54Å; L142-M223 VanDerWaalsContact CB-SD 3.54Å; L142-M223 HydrophobicContact CD1-CE 3.89Å; L142-M223 HydrophobicContact CD1-CG 4.43Å; L142-M223 HydrophobicContact CD1-SD 3.82Å; L142-M223 HydrophobicContact CG-SD 4.37Å; P144-M223 HydrophobicContact CB-CB 4.12Å; N221-M223 PolarHBondContact O-N 3.48Å; N221-M223 WeakPolarHBondContact OD1-CA 3.34Å; N221-M223 WeakPolarHBondContact OD1-CB 3.48Å; N221-M223 PolarHBondContact OD1-N 2.64Å |
| 224 | G | 97.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 32% | 0.32 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.5 | -168.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P145 N221 | P145-G224 WeakPolarHBondContact CD-O 3.44Å; P145-G224 WeakPolarHBondContact CG-O 3.48Å; N221-G224 PolarHBondContact N-O 2.95Å; N221-G224 PolarHBondContact O-N 2.79Å; N221-G224 VanDerWaalsContact O-N 3.07Å; N221-G224 PolarHBondContact OD1-N 2.75Å |
| 225 | S | 98.1 | Very high | 96.4 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 58% | 0.58 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.3 | 177.2 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | A219 | A219-S225 CarbonylContact O-C 3.57Å; A219-S225 WeakPolarHBondContact O-CA 3.34Å; A219-S225 WeakPolarHBondContact O-CB 3.17Å |
| 226 | A | 98.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 157 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109 | P145 V218 A219 | P145-A226 HydrophobicContact CB-CB 4.35Å; V218-A226 CarbonylContact C-O 3.54Å; A219-A226 PolarHBondContact N-O 3.5Å; A219-A226 PolarHBondContact O-N 3.15Å |
| 227 | S | 98 | Very high | 95.1 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 151.6 | -173 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | C217 | C217-S227 CarbonylContact O-C 3.6Å; C217-S227 WeakPolarHBondContact O-CA 3.31Å; C217-S227 WeakPolarHBondContact O-CB 3.14Å |
| 228 | C | 97.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 12% | 0.122 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.4 | 170.9 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | P148 C150 R216 C217 | P148-C228 HydrophobicContact CG-CB 4.04Å; P148-C228 WeakPolarHBondContact O-CB 3.45Å; P148-C228 PolarHBondContact O-SG 2.94Å; P148-C228 VanDerWaalsContact O-SG 3.4Å; C150-C228 VanDerWaalsContact CA-SG 3.54Å; C150-C228 HydrophobicContact CB-CB 3.85Å; C150-C228 WeakPolarHBondContact CB-SG 3.38Å; C150-C228 PolarHBondContact N-SG 3.43Å; C150-C228 WeakPolarHBondContact SG-CB 3.3Å; C150-C228 PolarHBondContact SG-O 2.99Å; C150-C228 CovalentContact SG-SG 2.04Å; C150-C228 PolarHBondContact SG-SG 3.41Å; R216-C228 CarbonylContact C-O 3.52Å; R216-C228 VanDerWaalsContact CA-O 3.31Å; R216-C228 WeakPolarHBondContact CA-O 3.42Å; C217-C228 PolarHBondContact N-O 3.2Å; C217-C228 PolarHBondContact O-N 2.84Å |
| 229 | E | 97.1 | Very high | 92 | Very high | 100 Ų | 100 | 64.8 Ų | 64.8 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.9 | -179.8 | -71.3 | -178.4 | -158.3 | 0 | 0 | 111.1 | L182 T214 Y215 R216 | L182-E229 HydrophobicContact CD1-CG 4.33Å; T214-E229 HydrophobicContact CG2-CB 3.95Å; T214-E229 HydrophobicContact CG2-CG 4.26Å; T214-E229 WeakPolarHBondContact CG2-OE2 3.17Å; Y215-E229 CarbonylContact O-C 3.6Å; Y215-E229 WeakPolarHBondContact O-CA 3.43Å; R216-E229 HydrophobicContact CB-CG 3.9Å; R216-E229 HydrophobicContact CG-CG 3.87Å; R216-E229 IonicContact CZ-OE1 3.13Å; R216-E229 IonicContact NE-OE1 2.77Å; R216-E229 PolarHBondContact NE-OE1 2.8Å; R216-E229 IonicContact NH2-OE1 2.67Å; R216-E229 PolarHBondContact NH2-OE1 2.89Å |
| 230 | L | 95.5 | Very high | 90.1 | Very high | 27 Ų | 27 | 67.5 Ų | 67.5 | 14% | 0.141 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 125.5 | 177.4 | -176.1 | 149.2 | 0 | 0 | 0 | 109.6 | C150 Q152 L164 Y215 | C150-L230 HydrophobicContact CB-CB 4.07Å; C150-L230 HydrophobicContact CB-CD1 4.3Å; Q152-L230 HydrophobicContact CB-CD1 3.93Å; Q152-L230 HydrophobicContact CB-CD2 4.22Å; L164-L230 HydrophobicContact CD1-CD2 4.38Å; L164-L230 HydrophobicContact CD2-CD2 3.85Å; Y215-L230 PolarHBondContact N-O 2.91Å; Y215-L230 PolarHBondContact O-N 3.29Å |
| 231 | T | 95.4 | Very high | 88.4 | Confident | 102 Ų | 102 | 75.1 Ų | 75.1 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 111.3 | 176 | -53.9 | 0 | 0 | 0 | 0 | 110 | ||
| 232 | L | 94.2 | Very high | 86.7 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.9 | 170.9 | -180 | 62.4 | 0 | 0 | 0 | 109.3 | T156 T162 L204 L207 S212 G213 Y215 V234 | T156-L232 HydrophobicContact CG2-CD1 3.69Å; T162-L232 HydrophobicContact CG2-CD1 4.2Å; T162-L232 HydrophobicContact CG2-CD2 4.29Å; L204-L232 HydrophobicContact CD1-CD2 3.64Å; L207-L232 HydrophobicContact CD2-CD2 4.34Å; S212-L232 CarbonylContact C-O 3.54Å; S212-L232 VanDerWaalsContact CA-O 3.28Å; S212-L232 WeakPolarHBondContact CA-O 3.47Å; G213-L232 PolarHBondContact N-O 2.93Å; G213-L232 PolarHBondContact O-N 3.38Å; Y215-L232 HydrophobicContact CD2-CB 4.03Å; Y215-L232 HydrophobicContact CE2-CB 3.92Å; Y215-L232 HydrophobicContact CE2-CD2 3.96Å; L232-V234 HydrophobicContact CD2-CG2 4.29Å; L232-V234 HydrophobicContact CG-CG2 4.16Å |
| 233 | S | 94.1 | Very high | 85.2 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 54% | 0.538 | 44% | 0.438 | S | S | . | . | trans | -117.6 | 118.8 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 109 | T156 | T156-S233 WeakPolarHBondContact CB-O 3.45Š| ||
| 234 | V | 92.4 | Very high | 83.9 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.042 | 44% | 0.443 | C | S | . | . | trans | -102 | 127.7 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | T156 V158 L207 S208 L209 S212 L232 | T156-V234 VanDerWaalsContact O-CA 3.27Å; T156-V234 WeakPolarHBondContact O-CA 3.35Å; V158-V234 HydrophobicContact CG2-CG1 4.06Å; L207-V234 HydrophobicContact CB-CG1 4.03Å; L207-V234 HydrophobicContact CB-CG2 4.28Å; L207-V234 HydrophobicContact CD1-CG2 4.22Å; L207-V234 HydrophobicContact CD2-CG2 4.39Å; S208-V234 WeakPolarHBondContact O-CB 3.43Å; S208-V234 WeakPolarHBondContact O-CG1 3.47Å; L209-V234 VanDerWaalsContact CD2-O 3.25Å; L209-V234 WeakPolarHBondContact CD2-O 3.45Å; S212-V234 WeakPolarHBondContact OG-CB 3.43Å; S212-V234 PolarHBondContact OG-N 3.08Å; L232-V234 HydrophobicContact CD2-CG2 4.29Å; L232-V234 HydrophobicContact CG-CG2 4.16Å | ||
| 235 | T | 92.9 | Very high | 82.9 | Confident | 77 Ų | 77 | 74.7 Ų | 74.7 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -111.7 | 154.9 | -179.2 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | T156 S157 V158 | T156-T235 PolarHBondContact O-N 3.32Å; S157-T235 CarbonylContact C-O 3.6Å; S157-T235 WeakPolarHBondContact CA-O 3.45Å; V158-T235 PolarHBondContact N-O 2.87Å |
| 236 | E | 88.3 | Confident | 82.2 | Confident | 139 Ų | 139 | 75.9 Ų | 75.9 | 65% | 0.65 | 45% | 0.45 | S | S | * | . | trans | -71.5 | 145.6 | 169.2 | -64.6 | -174.2 | 156.5 | 0 | 0 | 110.6 | V158 L209 S238 | V158-E236 HydrophobicContact CG2-CG 4.18Å; L209-E236 HydrophobicContact CD1-CG 4.31Å; L209-E236 HydrophobicContact CD2-CG 4.1Å; L209-E236 HydrophobicContact CG-CG 4.49Å; E236-S238 PolarHBondContact O-N 2.87Å | ||
| 237 | P | 74.5 | Confident | 81.6 | Confident | 87 Ų | 87 | 80.1 Ų | 80.1 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | trans | -63.7 | 129.2 | 173.7 | 27.6 | -34.3 | 0 | 0 | 0 | 110.2 | E239 | P237-E239 PolarHBondContact O-N 2.82Å; P237-E239 VanDerWaalsContact O-N 3.16Å | ||
| 238 | S | 67.2 | Low | 81.1 | Confident | 94 Ų | 94 | 78.7 Ų | 78.7 | 66% | 0.657 | 47% | 0.465 | S | S | * | . | trans | -71.4 | 111.1 | -172.2 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | E236 G240 R241 | E236-S238 PolarHBondContact O-N 2.87Å; S238-G240 PolarHBondContact O-N 2.83Å; S238-R241 PolarHBondContact O-N 2.87Å | ||
| 239 | E | 62.1 | Low | 80.8 | Confident | 168 Ų | 168 | 82.3 Ų | 82.3 | 79% | 0.785 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26.1 | 178.2 | -65.5 | -155.6 | 129.2 | 0 | 0 | 113.7 | P237 R241 V242 A243 | P237-E239 PolarHBondContact O-N 2.82Å; P237-E239 VanDerWaalsContact O-N 3.16Å; E239-R241 PolarHBondContact O-N 3.01Å; E239-V242 WeakPolarHBondContact O-CA 3.34Å; E239-V242 WeakPolarHBondContact O-CB 3.44Å; E239-V242 PolarHBondContact O-N 2.98Å; E239-A243 PolarHBondContact O-N 2.89Å |
| 240 | G | 58.9 | Low | 80.7 | Confident | 56 Ų | 56 | 83.4 Ų | 83.4 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -52.5 | -26.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S238 G244 | S238-G240 PolarHBondContact O-N 2.83Å; G240-G244 PolarHBondContact O-N 2.87Å |
| 241 | R | 61.3 | Low | 80.7 | Confident | 216 Ų | 216 | 86.7 Ų | 86.7 | 82% | 0.815 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.6 | -32.6 | 174.1 | -163.4 | 173.8 | -171.8 | 172 | 2.6 | 112.7 | S238 E239 A245 | S238-R241 PolarHBondContact O-N 2.87Å; E239-R241 PolarHBondContact O-N 3.01Å; R241-A245 WeakPolarHBondContact O-CB 3.26Å; R241-A245 PolarHBondContact O-N 3.02Å |
| 242 | V | 62.8 | Low | 80.7 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -75.8 | -46.3 | 174.2 | -176 | 0 | 0 | 0 | 0 | 109.9 | E239 G244 A245 L246 | E239-V242 WeakPolarHBondContact O-CA 3.34Å; E239-V242 WeakPolarHBondContact O-CB 3.44Å; E239-V242 PolarHBondContact O-N 2.98Å; V242-G244 PolarHBondContact O-N 2.75Å; V242-A245 PolarHBondContact O-N 3.36Å; V242-L246 HydrophobicContact CG1-CD1 4.09Å; V242-L246 WeakPolarHBondContact O-CG 3.47Å; V242-L246 PolarHBondContact O-N 2.8Å |
| 243 | A | 63.9 | Low | 80.8 | Confident | 45 Ų | 45 | 89.8 Ų | 89.8 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58 | -46.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E239 A245 L246 I247 | E239-A243 PolarHBondContact O-N 2.89Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 2.97Å; A243-L246 PolarHBondContact O-N 3.2Å; A243-I247 WeakPolarHBondContact O-CB 3.45Å; A243-I247 WeakPolarHBondContact O-CD1 3.34Å; A243-I247 VanDerWaalsContact O-CG1 3.23Å; A243-I247 WeakPolarHBondContact O-CG1 3.35Å; A243-I247 PolarHBondContact O-N 2.77Å |
| 244 | G | 71.3 | Confident | 80.9 | Confident | 45 Ų | 45 | 90.9 Ų | 90.9 | 46% | 0.464 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G240 V242 G248 | G240-G244 PolarHBondContact O-N 2.87Å; V242-G244 PolarHBondContact O-N 2.75Å; G244-G248 PolarHBondContact O-N 2.84Å |
| 245 | A | 77.5 | Confident | 81 | Confident | 58 Ų | 58 | 96.5 Ų | 96.5 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.9 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R241 V242 A243 G248 V249 | R241-A245 WeakPolarHBondContact O-CB 3.26Å; R241-A245 PolarHBondContact O-N 3.02Å; V242-A245 PolarHBondContact O-N 3.36Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 2.97Å; A245-G248 PolarHBondContact O-N 2.88Å; A245-V249 WeakPolarHBondContact O-CG2 3.38Å; A245-V249 PolarHBondContact O-N 3.1Å |
| 246 | L | 82.2 | Confident | 81.2 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.1 | -44.1 | 177.7 | -70.7 | 171.4 | 0 | 0 | 0 | 112.2 | V242 A243 V249 L250 | V242-L246 HydrophobicContact CG1-CD1 4.09Å; V242-L246 WeakPolarHBondContact O-CG 3.47Å; V242-L246 PolarHBondContact O-N 2.8Å; A243-L246 PolarHBondContact O-N 3.2Å; L246-V249 PolarHBondContact O-N 2.93Å; L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 PolarHBondContact O-N 3.11Å |
| 247 | I | 86.3 | Confident | 81.5 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -43.5 | 175.4 | -67.9 | 164.1 | 0 | 0 | 0 | 110.5 | A243 V249 L250 L251 | A243-I247 WeakPolarHBondContact O-CB 3.45Å; A243-I247 WeakPolarHBondContact O-CD1 3.34Å; A243-I247 VanDerWaalsContact O-CG1 3.23Å; A243-I247 WeakPolarHBondContact O-CG1 3.35Å; A243-I247 PolarHBondContact O-N 2.77Å; I247-V249 PolarHBondContact O-N 3.4Å; I247-L250 PolarHBondContact O-N 3.19Å; I247-L251 HydrophobicContact CG2-CD1 3.92Å; I247-L251 HydrophobicContact CG2-CG 4.41Å; I247-L251 WeakPolarHBondContact O-CB 3.36Å; I247-L251 VanDerWaalsContact O-CG 3.32Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 3.36Å |
| 248 | G | 86.3 | Confident | 82.5 | Confident | 32 Ų | 32 | 94.3 Ų | 94.3 | 33% | 0.33 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.3 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | G244 A245 L251 V252 | G244-G248 PolarHBondContact O-N 2.84Å; A245-G248 PolarHBondContact O-N 2.88Å; G248-L251 PolarHBondContact O-N 3.28Å; G248-V252 WeakPolarHBondContact O-CG2 3.45Å; G248-V252 PolarHBondContact O-N 3.42Å |
| 249 | V | 93.3 | Very high | 83.8 | Confident | 94 Ų | 94 | 92.1 Ų | 92.1 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 176 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | A245 L246 I247 L251 V252 V253 | A245-V249 WeakPolarHBondContact O-CG2 3.38Å; A245-V249 PolarHBondContact O-N 3.1Å; L246-V249 PolarHBondContact O-N 2.93Å; I247-V249 PolarHBondContact O-N 3.4Å; V249-L251 PolarHBondContact O-N 3Å; V249-V252 PolarHBondContact O-N 2.8Å; V249-V253 HydrophobicContact CG1-CG2 4.38Å; V249-V253 WeakPolarHBondContact O-CG2 3.43Å; V249-V253 PolarHBondContact O-N 2.63Å |
| 250 | L | 94.7 | Very high | 85.3 | Confident | 123 Ų | 123 | 86.2 Ų | 86.2 | 64% | 0.644 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.6 | -43.7 | 176.4 | -96.6 | 155.5 | 0 | 0 | 0 | 112.4 | L246 I247 V253 L254 | L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 PolarHBondContact O-N 3.11Å; I247-L250 PolarHBondContact O-N 3.19Å; L250-V253 PolarHBondContact O-N 2.88Å; L250-L254 VanDerWaalsContact O-CB 3.32Å; L250-L254 WeakPolarHBondContact O-CB 3.47Å; L250-L254 PolarHBondContact O-N 3.49Å |
| 251 | L | 95.4 | Very high | 87 | Confident | 97 Ų | 97 | 89.2 Ų | 89.2 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 177.1 | -71.8 | 170.4 | 0 | 0 | 0 | 112.2 | I247 G248 V249 L254 L255 | I247-L251 HydrophobicContact CG2-CD1 3.92Å; I247-L251 HydrophobicContact CG2-CG 4.41Å; I247-L251 WeakPolarHBondContact O-CB 3.36Å; I247-L251 VanDerWaalsContact O-CG 3.32Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 3.36Å; G248-L251 PolarHBondContact O-N 3.28Å; V249-L251 PolarHBondContact O-N 3Å; L251-L254 PolarHBondContact O-N 3.41Å; L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 2.94Å |
| 252 | V | 94.8 | Very high | 88.5 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.5 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | G248 V249 L254 L255 L256 | G248-V252 WeakPolarHBondContact O-CG2 3.45Å; G248-V252 PolarHBondContact O-N 3.42Å; V249-V252 PolarHBondContact O-N 2.8Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.34Å; V252-L255 PolarHBondContact O-N 3.05Å; V252-L256 HydrophobicContact CG1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CG 4.46Å; V252-L256 WeakPolarHBondContact O-CB 3.28Å; V252-L256 VanDerWaalsContact O-CG 3.31Å; V252-L256 WeakPolarHBondContact O-CG 3.41Å; V252-L256 PolarHBondContact O-N 2.84Å |
| 253 | V | 96.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 83 Ų | 83 | 53% | 0.527 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | V249 L250 L256 S257 | V249-V253 HydrophobicContact CG1-CG2 4.38Å; V249-V253 WeakPolarHBondContact O-CG2 3.43Å; V249-V253 PolarHBondContact O-N 2.63Å; L250-V253 PolarHBondContact O-N 2.88Å; V253-L256 PolarHBondContact O-N 2.86Å; V253-S257 PolarHBondContact O-N 3.12Å; V253-S257 PolarHBondContact O-OG 3.03Å |
| 254 | L | 96.3 | Very high | 91.1 | Very high | 101 Ų | 101 | 86.3 Ų | 86.3 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 175.4 | -175.7 | 64.6 | 0 | 0 | 0 | 111.2 | L250 L251 V252 L256 S257 V258 | L250-L254 VanDerWaalsContact O-CB 3.32Å; L250-L254 WeakPolarHBondContact O-CB 3.47Å; L250-L254 PolarHBondContact O-N 3.49Å; L251-L254 PolarHBondContact O-N 3.41Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.34Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.82Å; L254-S257 PolarHBondContact O-N 3.31Å; L254-S257 VanDerWaalsContact O-N 3.17Å; L254-S257 PolarHBondContact O-OG 3.39Å; L254-V258 WeakPolarHBondContact O-CG2 3Å; L254-V258 PolarHBondContact O-N 3.26Å |
| 255 | L | 95.9 | Very high | 91.8 | Very high | 124 Ų | 124 | 91 Ų | 91 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -41.3 | 178.5 | -72.2 | 169 | 0 | 0 | 0 | 112.4 | L251 V252 V258 A259 | L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 2.94Å; V252-L255 PolarHBondContact O-N 3.05Å; L255-V258 PolarHBondContact O-N 3.02Å; L255-A259 WeakPolarHBondContact O-CB 3.38Å; L255-A259 PolarHBondContact O-N 2.79Å |
| 256 | L | 95.8 | Very high | 92 | Very high | 116 Ų | 116 | 93.3 Ų | 93.3 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 175.3 | -71.7 | 171.1 | 0 | 0 | 0 | 112.1 | V252 V253 L254 A259 A260 | V252-L256 HydrophobicContact CG1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CG 4.46Å; V252-L256 WeakPolarHBondContact O-CB 3.28Å; V252-L256 VanDerWaalsContact O-CG 3.31Å; V252-L256 WeakPolarHBondContact O-CG 3.41Å; V252-L256 PolarHBondContact O-N 2.84Å; V253-L256 PolarHBondContact O-N 2.86Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.82Å; L256-A259 PolarHBondContact O-N 2.88Å; L256-A260 WeakPolarHBondContact O-CB 3.37Å; L256-A260 PolarHBondContact O-N 3.48Å |
| 257 | S | 95.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 94.3 Ų | 94.3 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 177.1 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | V253 L254 A260 F261 | V253-S257 PolarHBondContact O-N 3.12Å; V253-S257 PolarHBondContact O-OG 3.03Å; L254-S257 PolarHBondContact O-N 3.31Å; L254-S257 VanDerWaalsContact O-N 3.17Å; L254-S257 PolarHBondContact O-OG 3.39Å; S257-A260 PolarHBondContact O-N 3.21Å; S257-F261 WeakPolarHBondContact O-CB 3.24Å; S257-F261 PolarHBondContact O-N 2.7Å |
| 258 | V | 96.1 | Very high | 91.4 | Very high | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L254 L255 A260 F261 C262 | L254-V258 WeakPolarHBondContact O-CG2 3Å; L254-V258 PolarHBondContact O-N 3.26Å; L255-V258 PolarHBondContact O-N 3.02Å; V258-A260 PolarHBondContact O-N 2.81Å; V258-F261 PolarHBondContact O-N 3.29Å; V258-C262 WeakPolarHBondContact O-CB 3.21Å; V258-C262 PolarHBondContact O-N 2.6Å; V258-C262 PolarHBondContact O-SG 2.82Å; V258-C262 VanDerWaalsContact O-SG 3.33Å |
| 259 | A | 94.1 | Very high | 90.6 | Very high | 48 Ų | 48 | 99.5 Ų | 99.5 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L255 L256 C262 L263 | L255-A259 WeakPolarHBondContact O-CB 3.38Å; L255-A259 PolarHBondContact O-N 2.79Å; L256-A259 PolarHBondContact O-N 2.88Å; A259-C262 PolarHBondContact O-N 2.82Å; A259-L263 WeakPolarHBondContact O-CG 3.42Å; A259-L263 PolarHBondContact O-N 2.94Å |
| 260 | A | 94.2 | Very high | 89.1 | Confident | 45 Ų | 45 | 103.5 Ų | 103.5 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L256 S257 V258 L263 I264 | L256-A260 WeakPolarHBondContact O-CB 3.37Å; L256-A260 PolarHBondContact O-N 3.48Å; S257-A260 PolarHBondContact O-N 3.21Å; V258-A260 PolarHBondContact O-N 2.81Å; A260-L263 PolarHBondContact O-N 2.87Å; A260-I264 WeakPolarHBondContact O-CB 3.38Å; A260-I264 WeakPolarHBondContact O-CD1 3.19Å; A260-I264 VanDerWaalsContact O-CG1 3.25Å; A260-I264 WeakPolarHBondContact O-CG1 3.37Å; A260-I264 PolarHBondContact O-N 3.13Å |
| 261 | F | 94.4 | Very high | 87.4 | Confident | 119 Ų | 119 | 100.8 Ų | 100.8 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.8 | -179.6 | -96 | 0 | 0 | 0 | 112.3 | S257 V258 I264 R265 | S257-F261 WeakPolarHBondContact O-CB 3.24Å; S257-F261 PolarHBondContact O-N 2.7Å; V258-F261 PolarHBondContact O-N 3.29Å; F261-I264 PolarHBondContact O-N 2.85Å; F261-R265 HydrophobicContact CD1-CG 4.13Å; F261-R265 HydrophobicContact CE1-CG 3.81Å; F261-R265 HydrophobicContact CZ-CG 4.05Å; F261-R265 WeakPolarHBondContact O-CB 3.3Å; F261-R265 WeakPolarHBondContact O-CG 3.37Å; F261-R265 PolarHBondContact O-N 2.78Å |
| 262 | C | 92.2 | Very high | 85.6 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 49% | 0.493 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.2 | -72.9 | 0 | 0 | 0 | 0 | 112.1 | V258 A259 R265 F266 | V258-C262 WeakPolarHBondContact O-CB 3.21Å; V258-C262 PolarHBondContact O-N 2.6Å; V258-C262 PolarHBondContact O-SG 2.82Å; V258-C262 VanDerWaalsContact O-SG 3.33Å; A259-C262 PolarHBondContact O-N 2.82Å; C262-R265 PolarHBondContact O-N 2.85Å; C262-F266 WeakPolarHBondContact O-CB 3.09Å; C262-F266 PolarHBondContact O-N 2.77Å |
| 263 | L | 92 | Very high | 83.7 | Confident | 105 Ų | 105 | 107.6 Ų | 107.6 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -47.7 | 173.8 | -71.2 | 170.5 | 0 | 0 | 0 | 111.5 | A259 A260 R265 F266 H267 | A259-L263 WeakPolarHBondContact O-CG 3.42Å; A259-L263 PolarHBondContact O-N 2.94Å; A260-L263 PolarHBondContact O-N 2.87Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 2.87Å; L263-F266 PolarHBondContact O-N 3.05Å; L263-H267 PolarHBondContact O-CD2 3.49Å; L263-H267 VanDerWaalsContact O-CD2 3.28Å; L263-H267 PolarHBondContact O-N 2.8Å |
| 264 | I | 89.5 | Confident | 81.5 | Confident | 114 Ų | 114 | 109.2 Ų | 109.2 | 59% | 0.585 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.2 | -42 | 177 | -69.2 | 163.2 | 0 | 0 | 0 | 111 | A260 F261 K268 | A260-I264 WeakPolarHBondContact O-CB 3.38Å; A260-I264 WeakPolarHBondContact O-CD1 3.19Å; A260-I264 VanDerWaalsContact O-CG1 3.25Å; A260-I264 WeakPolarHBondContact O-CG1 3.37Å; A260-I264 PolarHBondContact O-N 3.13Å; F261-I264 PolarHBondContact O-N 2.85Å; I264-K268 VanDerWaalsContact O-CB 3.28Å; I264-K268 WeakPolarHBondContact O-CB 3.48Å; I264-K268 PolarHBondContact O-N 3.09Å |
| 265 | R | 86.8 | Confident | 78.9 | Confident | 142 Ų | 142 | 114.1 Ų | 114.1 | 54% | 0.536 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62 | -47.3 | 173.9 | -79.1 | -74.3 | -175.6 | 155.3 | 1 | 112 | F261 C262 L263 K268 E269 | F261-R265 HydrophobicContact CD1-CG 4.13Å; F261-R265 HydrophobicContact CE1-CG 3.81Å; F261-R265 HydrophobicContact CZ-CG 4.05Å; F261-R265 WeakPolarHBondContact O-CB 3.3Å; F261-R265 WeakPolarHBondContact O-CG 3.37Å; F261-R265 PolarHBondContact O-N 2.78Å; C262-R265 PolarHBondContact O-N 2.85Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 2.87Å; R265-K268 PolarHBondContact O-N 3.37Å; R265-K268 VanDerWaalsContact O-N 3.15Å; R265-E269 PolarHBondContact O-N 2.96Å |
| 266 | F | 80.4 | Confident | 76.7 | Confident | 108 Ų | 108 | 117.3 Ų | 117.3 | 47% | 0.474 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | -179.9 | -173.1 | -113.1 | 0 | 0 | 0 | 112.7 | C262 L263 E269 R270 | C262-F266 WeakPolarHBondContact O-CB 3.09Å; C262-F266 PolarHBondContact O-N 2.77Å; L263-F266 PolarHBondContact O-N 3.05Å; F266-E269 PolarHBondContact O-N 2.8Å; F266-R270 WeakPolarHBondContact O-CB 3.48Å; F266-R270 WeakPolarHBondContact O-CG 3.41Å; F266-R270 PolarHBondContact O-N 2.64Å |
| 267 | H | 78.5 | Confident | 74 | Confident | 128 Ų | 128 | 118.6 Ų | 118.6 | 59% | 0.593 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.7 | -37.3 | 171.3 | -83.8 | -94.1 | 0 | 0 | 0 | 112.3 | L263 R270 G271 | L263-H267 PolarHBondContact O-CD2 3.49Å; L263-H267 VanDerWaalsContact O-CD2 3.28Å; L263-H267 PolarHBondContact O-N 2.8Å; H267-R270 PolarHBondContact O-N 2.89Å; H267-G271 PolarHBondContact O-N 2.9Å |
| 268 | K | 77.8 | Confident | 71.3 | Confident | 142 Ų | 142 | 126.6 Ų | 126.6 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.1 | -35.3 | 176.4 | -172.9 | 170.6 | -175.8 | 171.3 | 0 | 113.1 | I264 R265 G271 | I264-K268 VanDerWaalsContact O-CB 3.28Å; I264-K268 WeakPolarHBondContact O-CB 3.48Å; I264-K268 PolarHBondContact O-N 3.09Å; R265-K268 PolarHBondContact O-N 3.37Å; R265-K268 VanDerWaalsContact O-N 3.15Å; K268-G271 PolarHBondContact O-N 2.78Å |
| 269 | E | 69.6 | Low | 68.5 | Low | 99 Ų | 99 | 126.3 Ų | 126.3 | 46% | 0.463 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.2 | -45.6 | 171.5 | -71.3 | -54.8 | 123.1 | 0 | 0 | 111.2 | R265 F266 G271 K272 | R265-E269 PolarHBondContact O-N 2.96Å; F266-E269 PolarHBondContact O-N 2.8Å; E269-G271 PolarHBondContact O-N 3.25Å; E269-G271 VanDerWaalsContact O-N 3.14Å; E269-K272 PolarHBondContact O-N 2.84Å; E269-K272 IonicContact OE1-NZ 3.88Å; E269-K272 PolarHBondContact OE1-NZ 3.05Å; E269-K272 IonicContact OE2-NZ 2.91Å |
| 270 | R | 62.1 | Low | 65.8 | Low | 178 Ų | 178 | 127.1 Ų | 127.1 | 67% | 0.672 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60 | -22.5 | 172.2 | -77.2 | -177.9 | 166.7 | -171.7 | -3.7 | 114.1 | F266 H267 K272 | F266-R270 WeakPolarHBondContact O-CB 3.48Å; F266-R270 WeakPolarHBondContact O-CG 3.41Å; F266-R270 PolarHBondContact O-N 2.64Å; H267-R270 PolarHBondContact O-N 2.89Å; R270-K272 VanDerWaalsContact C-N 3.27Å; R270-K272 PolarHBondContact O-N 3.48Å |
| 271 | G | 59.2 | Low | 63.6 | Low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -14.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | H267 K268 E269 | H267-G271 PolarHBondContact O-N 2.9Å; K268-G271 PolarHBondContact O-N 2.78Å; E269-G271 PolarHBondContact O-N 3.25Å; E269-G271 VanDerWaalsContact O-N 3.14Å |
| 272 | K | 57.7 | Low | 61.3 | Low | 126 Ų | 126 | 131.5 Ų | 131.5 | 55% | 0.548 | 69% | 0.685 | S | S | . | * | trans | -103.1 | 93.5 | 176.8 | -62.5 | 172.4 | -174.7 | 160.3 | 0 | 110.4 | E269 R270 P274 | E269-K272 PolarHBondContact O-N 2.84Å; E269-K272 IonicContact OE1-NZ 3.88Å; E269-K272 PolarHBondContact OE1-NZ 3.05Å; E269-K272 IonicContact OE2-NZ 2.91Å; R270-K272 VanDerWaalsContact C-N 3.27Å; R270-K272 PolarHBondContact O-N 3.48Å; K272-P274 WeakPolarHBondContact O-CD 3.09Å | ||
| 273 | K | 53.7 | Low | 59.2 | Low | 197 Ų | 197 | 134.8 Ų | 134.8 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 124.1 | 167.5 | -71.2 | -170.6 | 176 | -172.4 | 0 | 110.6 | ||
| 274 | P | 49.7 | Very low | 57 | Low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 159.8 | 159.2 | -13.9 | 30.7 | 0 | 0 | 0 | 110.4 | K272 | K272-P274 WeakPolarHBondContact O-CD 3.09Š|
| 275 | K | 42.3 | Very low | 55.3 | Low | 204 Ų | 204 | 140.5 Ų | 140.5 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 148.9 | 164.9 | -74.5 | -174.9 | 174.9 | -176.8 | 0 | 110 | ||
| 276 | E | 49.1 | Very low | 53.6 | Low | 190 Ų | 190 | 139 Ų | 139 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 145.4 | 168.4 | -60.1 | 176.7 | 156.8 | 0 | 0 | 111.1 | ||
| 277 | T | 39.5 | Very low | 52.1 | Low | 144 Ų | 144 | 138.1 Ų | 138.1 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | -144.9 | 144.2 | 155.3 | -59.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 278 | Y | 38 | Very low | 50.3 | Low | 232 Ų | 232 | 141 Ų | 141 | 91% | 0.91 | 74% | 0.742 | S | S | * | * | trans | -105 | 147.7 | -174.3 | -179.8 | -87.3 | 0 | 0 | 0 | 111.7 | ||||
| 279 | G | 38.5 | Very low | 48.5 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | trans | 165 | 144.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 280 | G | 37.5 | Very low | 47.8 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | -164.3 | -168.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 281 | S | 46.6 | Very low | 46.5 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 63.2 | 151 | 179.7 | 72.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 282 | D | 47.1 | Very low | 45.4 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | cis | -160.1 | 175 | 3.3 | -140.4 | -33 | 0 | 0 | 0 | 112.7 | ||||
| 283 | L | 48.8 | Very low | 44.3 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 64.8 | 136.9 | 165.5 | -57.1 | 168.1 | 0 | 0 | 0 | 117.8 | ||||
| 284 | R | 45.5 | Very low | 43.7 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | 100.4 | 125.5 | 17.4 | -162.5 | -149.8 | -177.4 | 96.5 | 18.1 | 114.2 | D286 | R284-D286 IonicContact CZ-OD2 3.28Å; R284-D286 VanDerWaalsContact CZ-OD2 3.28Å; R284-D286 IonicContact NE-OD2 2.95Å; R284-D286 PolarHBondContact NE-OD2 2.97Å; R284-D286 IonicContact NH2-OD1 3.57Å; R284-D286 IonicContact NH2-OD2 2.75Å; R284-D286 PolarHBondContact NH2-OD2 3.05Å | ||
| 285 | E | 54.1 | Low | 43 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | -164.2 | 149.6 | 123.4 | -150.9 | 56.6 | -171 | 0 | 0 | 113.3 | |||||
| 286 | D | 51.1 | Low | 42.7 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 58% | 0.583 | 76% | 0.763 | S | S | * | * | trans | -87.8 | 179.7 | -175.9 | -55.1 | -98.4 | 0 | 0 | 0 | 111.8 | R284 | R284-D286 IonicContact CZ-OD2 3.28Å; R284-D286 VanDerWaalsContact CZ-OD2 3.28Å; R284-D286 IonicContact NE-OD2 2.95Å; R284-D286 PolarHBondContact NE-OD2 2.97Å; R284-D286 IonicContact NH2-OD1 3.57Å; R284-D286 IonicContact NH2-OD2 2.75Å; R284-D286 PolarHBondContact NH2-OD2 3.05Å | ||
| 287 | A | 48.7 | Very low | 42 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | cis | -140.5 | -122.2 | 10.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 288 | M | 40.3 | Very low | 41.6 | Very low | 187 Ų | 187 | 130.4 Ų | 130.4 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | cis | -159.3 | 179.6 | 3 | -148.2 | 171.3 | -169.9 | 0 | 0 | 111.7 | ||||
| 289 | A | 40.7 | Very low | 41.6 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | trans | -149.8 | -157.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 290 | P | 54 | Low | 41.7 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | cis | -146.1 | -173.9 | 3.9 | 45.3 | -25.3 | 0 | 0 | 0 | 118.1 | ||||
| 291 | G | 34.9 | Very low | 41.7 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 101.3 | 156.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 292 | I | 35 | Very low | 41.2 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | cis | -153.1 | 179.1 | -6.1 | -111.1 | 166.5 | 0 | 0 | 0 | 109.8 | ||||
| 293 | S | 36.3 | Very low | 41 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | -65.3 | 177.8 | -171.8 | 53.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 294 | E | 40.3 | Very low | 40.6 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | cis | -156.6 | 170.7 | 30.3 | -64.1 | -169.5 | 130.9 | 0 | 0 | 116 | ||||
| 295 | H | 35.9 | Very low | 40.1 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 45.9 | 145.3 | 137.3 | -82.1 | -69.7 | 0 | 0 | 0 | 123.2 | ||||
| 296 | T | 35.6 | Very low | 39.1 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | cis | -162.1 | 159.3 | -4.1 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 297 | S | 33.4 | Very low | 38.4 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | 71.9 | 151.4 | 158.4 | -88.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 298 | M | 31.7 | Very low | 37.6 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | cis | -148.3 | -177.9 | 0.3 | -135.9 | -174.5 | -154.9 | 0 | 0 | 113.1 | ||||
| 299 | R | 38.5 | Very low | 37.2 | Very low | 231 Ų | 231 | 135.3 Ų | 135.3 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | -58.7 | 169.3 | -178.8 | -63.2 | 178.8 | 174.6 | 125.5 | -0.8 | 114.9 | ||||
| 300 | A | 40.2 | Very low | 37.7 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | cis | -149 | 150.4 | 12.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 301 | D | 37.5 | Very low | 36.7 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | 65.4 | 132.3 | 86.8 | -154.9 | 29.2 | 0 | 0 | 0 | 114 | |||||
| 302 | S | 36.5 | Very low | 36.7 | Very low | 86 Ų | 86 | 137 Ų | 137 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | cis | -139.9 | 157.2 | 9.3 | -137.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 303 | S | 41.8 | Very low | 36.7 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | cis | 63 | 138.5 | 48.1 | 135.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 304 | K | 40.3 | Very low | 36.6 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | cis | -156.9 | 177.4 | -5.5 | -100.4 | 165.3 | 178.9 | 174.3 | 0 | 105.7 | ||||
| 305 | G | 35.3 | Very low | 36.3 | Very low | 59 Ų | 59 | 133.4 Ų | 133.4 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | cis | 178.8 | 156.8 | 7.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 306 | F | 32.7 | Very low | 36.3 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | 62.3 | 129.5 | 86.5 | -85 | -135.3 | 0 | 0 | 0 | 114 | |||||
| 307 | L | 36.2 | Very low | 36.2 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | cis | -157.8 | 175.1 | 2.4 | -100.3 | 170.2 | 0 | 0 | 0 | 112.2 | ||||
| 308 | E | 32.3 | Very low | 36.6 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | trans | 23.2 | 137.6 | 147.6 | -66.7 | 164.5 | 136 | 0 | 0 | 122 | ||||
| 309 | R | 32 | Very low | 36.8 | Very low | 229 Ų | 229 | 133.6 Ų | 133.6 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | cis | 71.6 | 141.9 | 48 | -173.4 | 173.1 | -168.7 | 169.2 | 6.7 | 112.7 | ||||
| 310 | P | 51.8 | Low | 36.7 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | cis | -131.4 | -169 | -1.8 | 31.9 | -9 | 0 | 0 | 0 | 116.6 | ||||
| 311 | S | 32.1 | Very low | 36.5 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | 86.3 | 109 | 136.6 | 56.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 312 | S | 35.8 | Very low | 36.9 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | 44 | 112.4 | 117.4 | -47.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 313 | A | 34.8 | Very low | 37.7 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | -168 | 155.4 | 119.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 314 | S | 33.9 | Very low | 38.4 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -72.8 | 162.4 | 177.2 | -42.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 315 | T | 33.3 | Very low | 38.4 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | -169 | 151.5 | 120.9 | -75.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 316 | V | 37.6 | Very low | 39.2 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -100.7 | 135.5 | 179.7 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 317 | T | 33 | Very low | 40.2 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 83% | 0.828 | 82% | 0.824 | S | S | * | * | trans | -148.4 | 149.2 | 152 | -13.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 318 | T | 41.5 | Very low | 40.4 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | trans | -96.6 | 154 | 177.4 | 46.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 319 | T | 36.3 | Very low | 40.9 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 91% | 0.908 | 84% | 0.84 | S | S | * | * | trans | -141.1 | 147.6 | 167.9 | 22.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 320 | K | 36.8 | Very low | 41.4 | Very low | 206 Ų | 206 | 142 Ų | 142 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | trans | -83.5 | 147.3 | -175.8 | -74.6 | 179.6 | 173.7 | 177.7 | 0 | 112.3 | ||||
| 321 | S | 35.1 | Very low | 40.7 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | trans | -63.9 | 147.3 | 160 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 322 | K | 45.2 | Very low | 41.3 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 85% | 0.852 | 86% | 0.86 | S | S | * | * | trans | -144.9 | 120.6 | 170.2 | -168.2 | 179.4 | -177.1 | -175 | 0 | 109.5 | ||||
| 323 | L | 53 | Low | 41.6 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 83% | 0.832 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -72 | 143.7 | 175.2 | -73.4 | 159 | 0 | 0 | 0 | 111.4 | ||
| 324 | P | 58.3 | Low | 42.1 | Very low | 113 Ų | 113 | 152.4 Ų | 152.4 | 73% | 0.734 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 145.2 | 152.2 | 34.5 | -28.8 | 0 | 0 | 0 | 110.9 | ||
| 325 | M | 39.1 | Very low | 42.8 | Very low | 185 Ų | 185 | 155.2 Ų | 155.2 | 91% | 0.911 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 145.6 | 167.6 | -176.3 | -176 | -67.3 | 0 | 0 | 108.4 | ||
| 326 | I | 52.7 | Low | 43.6 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 81% | 0.81 | 87% | 0.869 | S | S | * | * | trans | -111.1 | 147.1 | 170.6 | -65.9 | 178.4 | 0 | 0 | 0 | 108.2 | ||||
| 327 | V | 54.2 | Low | 44.1 | Very low | 210 Ų | 210 | 159.5 Ų | 159.5 | 100% | 1.273 | 88% | 0.877 | S | S | * | * | trans | -70.2 | 0 | -177.3 | -176.1 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 327 of 327 residues in 48.1 ms
(Link to these results)