| 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 | 62.8 | Low | 85.4 | Confident | 214 Ų | 214 | 109.7 Ų | 109.7 | 100% | 1.054 | 50% | 0.495 | S | S | * | . | 0 | 139.8 | 0 | -100.3 | 176.6 | -169.2 | 0 | 0 | 108.8 | L6 | M1-L6 HydrophobicContact SD-CD1 3.75Š| |||
| 2 | K | 85.4 | Confident | 85.6 | Confident | 175 Ų | 175 | 103.3 Ų | 103.3 | 76% | 0.761 | 48% | 0.477 | S | S | * | . | trans | -87.3 | 128.2 | 173.5 | -71.1 | -176.1 | 176.7 | -178.2 | 0 | 109.3 | E4 F5 L6 | K2-E4 PolarHBondContact O-N 3.21Å; K2-F5 WeakPolarHBondContact O-CB 3.4Å; K2-F5 PolarHBondContact O-N 3.04Å; K2-L6 PolarHBondContact O-N 3.32Å | ||
| 3 | L | 85 | Confident | 85.6 | Confident | 86 Ų | 86 | 99.5 Ų | 99.5 | 45% | 0.45 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -51.9 | -42.8 | 180 | -179.3 | 68.5 | 0 | 0 | 0 | 112.1 | F5 L6 Q7 T53 | L3-F5 VanDerWaalsContact C-N 3.28Å; L3-F5 PolarHBondContact O-N 3.09Å; L3-L6 WeakPolarHBondContact O-CB 3.49Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-L6 VanDerWaalsContact O-N 3.13Å; L3-Q7 HydrophobicContact CG-CG 4.44Å; L3-Q7 PolarHBondContact O-N 3.45Å; L3-T53 HydrophobicContact CD2-CG2 4.17Å |
| 4 | E | 86.5 | Confident | 85.5 | Confident | 118 Ų | 118 | 94.5 Ų | 94.5 | 55% | 0.551 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.6 | -36.1 | 180 | -62.9 | -167.2 | -179.6 | 0 | 0 | 113.6 | K2 R8 | K2-E4 PolarHBondContact O-N 3.21Å; E4-R8 WeakPolarHBondContact O-CB 3.24Å; E4-R8 VanDerWaalsContact O-CG 3.24Å; E4-R8 WeakPolarHBondContact O-CG 2.96Å; E4-R8 PolarHBondContact O-N 2.91Å; E4-R8 IonicContact OE2-NH2 3.61Å |
| 5 | F | 89.1 | Confident | 85.1 | Confident | 129 Ų | 129 | 97.7 Ų | 97.7 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.4 | -41.2 | 178.7 | 178.7 | -96.9 | 0 | 0 | 0 | 110.9 | K2 L3 R8 K9 | K2-F5 WeakPolarHBondContact O-CB 3.4Å; K2-F5 PolarHBondContact O-N 3.04Å; L3-F5 VanDerWaalsContact C-N 3.28Å; L3-F5 PolarHBondContact O-N 3.09Å; F5-R8 PolarHBondContact O-N 3Å; F5-K9 HydrophobicContact CD1-CG 4.33Å; F5-K9 HydrophobicContact CE1-CG 3.92Å; F5-K9 HydrophobicContact CE2-CG 4.38Å; F5-K9 HydrophobicContact CZ-CD 4.39Å; F5-K9 HydrophobicContact CZ-CG 3.95Å; F5-K9 WeakPolarHBondContact O-CG 2.98Å; F5-K9 PolarHBondContact O-N 2.63Å |
| 6 | L | 87 | Confident | 84.5 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 39% | 0.387 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 177.4 | -118.3 | 157.2 | 0 | 0 | 0 | 111 | M1 K2 L3 R8 K9 F10 I46 | M1-L6 HydrophobicContact SD-CD1 3.75Å; K2-L6 PolarHBondContact O-N 3.32Å; L3-L6 WeakPolarHBondContact O-CB 3.49Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-L6 VanDerWaalsContact O-N 3.13Å; L6-R8 PolarHBondContact O-N 1.98Å; L6-K9 PolarHBondContact O-N 3.24Å; L6-F10 WeakPolarHBondContact O-CB 3.34Å; L6-F10 PolarHBondContact O-N 3.24Å; L6-I46 HydrophobicContact CD2-CD1 4.15Å |
| 7 | Q | 88.3 | Confident | 83.8 | Confident | 39 Ų | 39 | 98.4 Ų | 98.4 | 18% | 0.182 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -56.4 | -50.7 | 173.9 | -77.6 | 177.3 | -22.2 | 0 | 0 | 111.6 | L3 K9 F10 W11 I46 | L3-Q7 HydrophobicContact CG-CG 4.44Å; L3-Q7 PolarHBondContact O-N 3.45Å; Q7-K9 VanDerWaalsContact C-N 3.3Å; Q7-K9 PolarHBondContact O-N 3.36Å; Q7-F10 WeakPolarHBondContact O-CB 3.46Å; Q7-F10 PolarHBondContact O-N 3.13Å; Q7-F10 VanDerWaalsContact O-N 3.17Å; Q7-W11 VanDerWaalsContact O-CG 3.26Å; Q7-W11 PolarHBondContact O-N 3.49Å; Q7-I46 HydrophobicContact CG-CG2 4.12Å |
| 8 | R | 88.9 | Confident | 82.8 | Confident | 170 Ų | 170 | 95.8 Ų | 95.8 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.2 | -40.6 | 178.7 | -73.6 | 176.3 | -166.5 | -169.9 | 7.6 | 112.6 | E4 F5 L6 A12 | E4-R8 WeakPolarHBondContact O-CB 3.24Å; E4-R8 VanDerWaalsContact O-CG 3.24Å; E4-R8 WeakPolarHBondContact O-CG 2.96Å; E4-R8 PolarHBondContact O-N 2.91Å; E4-R8 IonicContact OE2-NH2 3.61Å; F5-R8 PolarHBondContact O-N 3Å; L6-R8 PolarHBondContact O-N 1.98Å; R8-A12 WeakPolarHBondContact O-CB 3.44Å; R8-A12 PolarHBondContact O-N 2.97Å; R8-A12 VanDerWaalsContact O-N 3.09Å |
| 9 | K | 89.3 | Confident | 81.6 | Confident | 128 Ų | 128 | 98.6 Ų | 98.6 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.5 | -40 | 176.8 | -75 | -66.4 | -172.9 | 179.8 | 0 | 112 | F5 L6 Q7 A12 A13 | F5-K9 HydrophobicContact CD1-CG 4.33Å; F5-K9 HydrophobicContact CE1-CG 3.92Å; F5-K9 HydrophobicContact CE2-CG 4.38Å; F5-K9 HydrophobicContact CZ-CD 4.39Å; F5-K9 HydrophobicContact CZ-CG 3.95Å; F5-K9 WeakPolarHBondContact O-CG 2.98Å; F5-K9 PolarHBondContact O-N 2.63Å; L6-K9 PolarHBondContact O-N 3.24Å; Q7-K9 VanDerWaalsContact C-N 3.3Å; Q7-K9 PolarHBondContact O-N 3.36Å; K9-A12 PolarHBondContact O-N 2.95Å; K9-A13 WeakPolarHBondContact O-CB 3.49Å; K9-A13 PolarHBondContact O-N 2.95Å |
| 10 | F | 88.8 | Confident | 80.7 | Confident | 29 Ų | 29 | 99.9 Ų | 99.9 | 13% | 0.127 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60.4 | -53.2 | 175.3 | 177.7 | -104.2 | 0 | 0 | 0 | 111.4 | L6 Q7 A12 A13 T14 V37 I46 L197 | L6-F10 WeakPolarHBondContact O-CB 3.34Å; L6-F10 PolarHBondContact O-N 3.24Å; Q7-F10 WeakPolarHBondContact O-CB 3.46Å; Q7-F10 PolarHBondContact O-N 3.13Å; Q7-F10 VanDerWaalsContact O-N 3.17Å; F10-A12 PolarHBondContact O-N 3.24Å; F10-A13 WeakPolarHBondContact O-CA 3.43Å; F10-A13 WeakPolarHBondContact O-CB 3.46Å; F10-A13 PolarHBondContact O-N 2.94Å; F10-T14 HydrophobicContact CD1-CG2 4.36Å; F10-T14 HydrophobicContact CD2-CG2 4.38Å; F10-T14 HydrophobicContact CE1-CG2 3.96Å; F10-T14 HydrophobicContact CE2-CG2 3.97Å; F10-T14 HydrophobicContact CZ-CG2 3.75Å; F10-T14 WeakPolarHBondContact O-CG2 3.49Å; F10-T14 PolarHBondContact O-N 2.85Å; F10-T14 PolarHBondContact O-OG1 3.26Å; F10-V37 HydrophobicContact CD2-CG2 3.87Å; F10-V37 HydrophobicContact CE1-CG2 4.37Å; F10-V37 HydrophobicContact CE2-CG2 3.46Å; F10-V37 VanDerWaalsContact CE2-CG2 3.46Å; F10-V37 HydrophobicContact CG-CG2 4.5Å; F10-V37 HydrophobicContact CZ-CG2 3.74Å; F10-I46 HydrophobicContact CB-CD1 4.15Å; F10-I46 HydrophobicContact CD1-CG2 3.86Å; F10-I46 HydrophobicContact CE1-CG2 4.19Å; F10-I46 HydrophobicContact CG-CD1 4.29Å; F10-I46 HydrophobicContact CG-CG2 4.41Å; F10-L197 HydrophobicContact CE2-CD1 3.9Å; F10-L197 HydrophobicContact CZ-CD1 3.61Å |
| 11 | W | 88.2 | Confident | 79.8 | Confident | 45 Ų | 45 | 101.6 Ų | 101.6 | 17% | 0.17 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64.4 | -26.3 | 178.1 | -54.6 | 131.2 | 0 | 0 | 0 | 113.8 | Q7 T14 R15 C28 C35 I46 K48 | Q7-W11 VanDerWaalsContact O-CG 3.26Å; Q7-W11 PolarHBondContact O-N 3.49Å; W11-T14 WeakPolarHBondContact CA-OG1 3.34Å; W11-T14 PolarHBondContact O-OG1 3.13Å; W11-R15 PolarHBondContact O-NE 3.01Å; W11-C28 HydrophobicContact CE3-CB 4.14Å; W11-C28 HydrophobicContact CZ3-CB 3.74Å; W11-C35 HydrophobicContact CZ3-CB 4.44Å; W11-I46 HydrophobicContact CZ2-CG2 4.16Å; W11-K48 HydrophobicContact CH2-CB 4.31Å |
| 12 | A | 88.2 | Confident | 80 | Confident | 33 Ų | 33 | 93.2 Ų | 93.2 | 27% | 0.273 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.6 | -36.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | R8 K9 F10 | R8-A12 WeakPolarHBondContact O-CB 3.44Å; R8-A12 PolarHBondContact O-N 2.97Å; R8-A12 VanDerWaalsContact O-N 3.09Å; K9-A12 PolarHBondContact O-N 2.95Å; F10-A12 PolarHBondContact O-N 3.24Å |
| 13 | A | 85.7 | Confident | 79.1 | Confident | 54 Ų | 54 | 90.8 Ų | 90.8 | 45% | 0.446 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.2 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K9 F10 R15 Q16 | K9-A13 WeakPolarHBondContact O-CB 3.49Å; K9-A13 PolarHBondContact O-N 2.95Å; F10-A13 WeakPolarHBondContact O-CA 3.43Å; F10-A13 WeakPolarHBondContact O-CB 3.46Å; F10-A13 PolarHBondContact O-N 2.94Å; A13-R15 PolarHBondContact O-N 3.46Å; A13-R15 VanDerWaalsContact O-N 3.13Å; A13-Q16 PolarHBondContact O-N 3.44Å |
| 14 | T | 83.3 | Confident | 78.4 | Confident | 29 Ų | 29 | 90.3 Ų | 90.3 | 18% | 0.178 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.2 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | F10 W11 C28 | F10-T14 HydrophobicContact CD1-CG2 4.36Å; F10-T14 HydrophobicContact CD2-CG2 4.38Å; F10-T14 HydrophobicContact CE1-CG2 3.96Å; F10-T14 HydrophobicContact CE2-CG2 3.97Å; F10-T14 HydrophobicContact CZ-CG2 3.75Å; F10-T14 WeakPolarHBondContact O-CG2 3.49Å; F10-T14 PolarHBondContact O-N 2.85Å; F10-T14 PolarHBondContact O-OG1 3.26Å; W11-T14 WeakPolarHBondContact CA-OG1 3.34Å; W11-T14 PolarHBondContact O-OG1 3.13Å; T14-C28 HydrophobicContact CG2-CB 4.11Å |
| 15 | R | 80.1 | Confident | 77.6 | Confident | 143 Ų | 143 | 91 Ų | 91 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -19.9 | 172 | -75.5 | -178.2 | -83.4 | -177.6 | -13.9 | 113.5 | W11 A13 E29 | W11-R15 PolarHBondContact O-NE 3.01Å; A13-R15 PolarHBondContact O-N 3.46Å; A13-R15 VanDerWaalsContact O-N 3.13Å; R15-E29 IonicContact CZ-OE2 3.79Å; R15-E29 IonicContact NE-OE2 3.65Å |
| 16 | Q | 76.1 | Confident | 77.1 | Confident | 154 Ų | 154 | 90 Ų | 90 | 72% | 0.72 | 49% | 0.494 | S | S | * | . | trans | -88.7 | 116.8 | -176.5 | -67.8 | 176 | 4.5 | 0 | 0 | 108.8 | A13 | A13-Q16 PolarHBondContact O-N 3.44Š| ||
| 17 | C | 72.2 | Confident | 76.9 | Confident | 52 Ų | 52 | 87.4 Ų | 87.4 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | trans | -112.4 | 153.3 | 177.6 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | C24 | C17-C24 HydrophobicContact CB-CB 3.91Å; C17-C24 WeakPolarHBondContact CB-SG 3.46Å; C17-C24 WeakPolarHBondContact SG-CB 3.45Å; C17-C24 CovalentContact SG-SG 1.98Å; C17-C24 PolarHBondContact SG-SG 3.25Å | ||
| 18 | S | 66.1 | Low | 76.8 | Confident | 53 Ų | 53 | 86.1 Ų | 86.1 | 37% | 0.371 | 48% | 0.477 | S | S | . | . | trans | -60.3 | 141.2 | 178.5 | 101.5 | 0 | 0 | 0 | 0 | 108.8 | V20 D21 | S18-V20 PolarHBondContact O-N 3.32Å; S18-V20 PolarHBondContact OG-N 2.98Å; S18-D21 PolarHBondContact O-N 2.91Å; S18-D21 PolarHBondContact OG-N 3.17Å; S18-D21 PolarHBondContact OG-OD2 3.31Å | ||
| 19 | T | 58.9 | Low | 76.4 | Confident | 148 Ų | 148 | 83 Ų | 83 | 91% | 0.908 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -3.6 | 175.4 | 52 | 0 | 0 | 0 | 0 | 113 | ||
| 20 | V | 63.8 | Low | 76.1 | Confident | 124 Ų | 124 | 80 Ų | 80 | 75% | 0.752 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -29.4 | -174.4 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | S18 | S18-V20 PolarHBondContact O-N 3.32Å; S18-V20 PolarHBondContact OG-N 2.98Å |
| 21 | D | 62.4 | Low | 75.8 | Confident | 137 Ų | 137 | 83 Ų | 83 | 73% | 0.733 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -99.1 | 4.4 | -171.9 | -57 | -52.3 | 0 | 0 | 0 | 114.1 | S18 | S18-D21 PolarHBondContact O-N 2.91Å; S18-D21 PolarHBondContact OG-N 3.17Å; S18-D21 PolarHBondContact OG-OD2 3.31Å |
| 22 | G | 65.9 | Low | 75.7 | Confident | 38 Ų | 38 | 84.9 Ų | 84.9 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | trans | 84 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 23 | P | 67.1 | Low | 75.8 | Confident | 123 Ų | 123 | 84.7 Ų | 84.7 | 80% | 0.799 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -67 | 133.3 | 177.9 | 27.3 | -32.2 | 0 | 0 | 0 | 110.6 | T25 | P23-T25 PolarHBondContact O-N 3.07Š|
| 24 | C | 69.8 | Low | 76.1 | Confident | 76 Ų | 76 | 82.8 Ų | 82.8 | 51% | 0.514 | 47% | 0.474 | S | S | . | . | trans | -67.3 | 118.6 | 175.9 | -92.1 | 0 | 0 | 0 | 0 | 111.6 | C17 | C17-C24 HydrophobicContact CB-CB 3.91Å; C17-C24 WeakPolarHBondContact CB-SG 3.46Å; C17-C24 WeakPolarHBondContact SG-CB 3.45Å; C17-C24 CovalentContact SG-SG 1.98Å; C17-C24 PolarHBondContact SG-SG 3.25Å | ||
| 25 | T | 71.6 | Confident | 76.6 | Confident | 134 Ų | 134 | 81.5 Ų | 81.5 | 82% | 0.822 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -82 | -21.4 | 179 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | P23 | P23-T25 PolarHBondContact O-N 3.07Š|
| 26 | Q | 77.1 | Confident | 77.3 | Confident | 108 Ų | 108 | 74.9 Ų | 74.9 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | trans | -137.1 | 134.8 | -179.9 | -68.4 | -177.8 | -16 | 0 | 0 | 110.9 | L33 | Q26-L33 HydrophobicContact CB-CD1 3.95Š| ||
| 27 | S | 83.9 | Confident | 78.3 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | trans | -122.7 | 152.4 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.3 | E29 D30 | S27-E29 PolarHBondContact O-N 2.88Å; S27-E29 PolarHBondContact OG-N 3.28Å; S27-D30 PolarHBondContact N-OD2 3.27Å; S27-D30 VanDerWaalsContact O-CB 3.31Å; S27-D30 WeakPolarHBondContact O-CB 3.04Å; S27-D30 PolarHBondContact O-N 2.74Å | ||
| 28 | C | 84.9 | Confident | 79.4 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 9% | 0.088 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -8.1 | 172.6 | -69.5 | 0 | 0 | 0 | 0 | 114.7 | W11 T14 C35 | W11-C28 HydrophobicContact CE3-CB 4.14Å; W11-C28 HydrophobicContact CZ3-CB 3.74Å; T14-C28 HydrophobicContact CG2-CB 4.11Å; C28-C35 VanDerWaalsContact CA-SG 3.54Å; C28-C35 HydrophobicContact CB-CB 3.54Å; C28-C35 WeakPolarHBondContact CB-SG 3.31Å; C28-C35 WeakPolarHBondContact SG-CB 3.35Å; C28-C35 CovalentContact SG-SG 2.03Å; C28-C35 PolarHBondContact SG-SG 3.21Å |
| 29 | E | 81.9 | Confident | 80.8 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27.7 | 171.5 | -168.3 | 164.2 | -164.5 | 0 | 0 | 111.6 | R15 S27 K48 | R15-E29 IonicContact CZ-OE2 3.79Å; R15-E29 IonicContact NE-OE2 3.65Å; S27-E29 PolarHBondContact O-N 2.88Å; S27-E29 PolarHBondContact OG-N 3.28Å; E29-K48 PolarHBondContact O-NZ 2.78Å |
| 30 | D | 81.4 | Confident | 82.5 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -66.7 | 157.2 | -178.9 | -59.1 | -38.9 | 0 | 0 | 0 | 111.3 | S27 D32 K48 | S27-D30 PolarHBondContact N-OD2 3.27Å; S27-D30 VanDerWaalsContact O-CB 3.31Å; S27-D30 WeakPolarHBondContact O-CB 3.04Å; S27-D30 PolarHBondContact O-N 2.74Å; D30-D32 PolarHBondContact O-N 3.17Å; D30-K48 VanDerWaalsContact C-NZ 3.31Å; D30-K48 PolarHBondContact O-NZ 2.03Å |
| 31 | S | 82.4 | Confident | 84 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 63% | 0.629 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.8 | 176.8 | 45.2 | 0 | 0 | 0 | 0 | 113.8 | L33 P202 | S31-L33 VanDerWaalsContact C-N 3.33Å; S31-P202 WeakPolarHBondContact O-CG 3.41Å |
| 32 | D | 87.1 | Confident | 85.6 | Confident | 85 Ų | 85 | 49.3 Ų | 49.3 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -11.3 | -167.5 | -55.3 | -10.1 | 0 | 0 | 0 | 112.1 | D30 P202 | D30-D32 PolarHBondContact O-N 3.17Å; D32-P202 WeakPolarHBondContact O-CD 3.34Å |
| 33 | L | 90.3 | Very high | 87 | Confident | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | trans | -134.7 | 136.5 | -179.8 | -62.9 | 174.9 | 0 | 0 | 0 | 110.6 | Q26 S31 V199 | Q26-L33 HydrophobicContact CB-CD1 3.95Å; S31-L33 VanDerWaalsContact C-N 3.33Å; L33-V199 HydrophobicContact CB-CG1 4.31Å; L33-V199 HydrophobicContact CD1-CG1 4.27Å; L33-V199 HydrophobicContact CD2-CG1 4.09Å; L33-V199 HydrophobicContact CG-CG1 4.47Å | ||
| 34 | D | 92.4 | Very high | 88.4 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.9 | 166.9 | -88.6 | -22.7 | 0 | 0 | 0 | 109 | F36 R49 V199 T200 | D34-F36 HydrophobicContact CB-CE2 3.85Å; D34-F36 HydrophobicContact CB-CZ 4Å; D34-R49 IonicContact OD1-NH2 2.7Å; D34-R49 IonicContact OD2-CZ 3.74Å; D34-R49 IonicContact OD2-NH2 3.93Å; D34-R49 PolarHBondContact OD2-NH2 2.95Å; D34-V199 WeakPolarHBondContact O-CA 3.36Å; D34-T200 WeakPolarHBondContact CB-OG1 3.37Å; D34-T200 PolarHBondContact N-O 2.85Å; D34-T200 PolarHBondContact O-N 2.86Å; D34-T200 PolarHBondContact O-OG1 3.33Å |
| 35 | C | 93.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.9 | 179.9 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | W11 C28 L198 | W11-C35 HydrophobicContact CZ3-CB 4.44Å; C28-C35 VanDerWaalsContact CA-SG 3.54Å; C28-C35 HydrophobicContact CB-CB 3.54Å; C28-C35 WeakPolarHBondContact CB-SG 3.31Å; C28-C35 WeakPolarHBondContact SG-CB 3.35Å; C28-C35 CovalentContact SG-SG 2.03Å; C28-C35 PolarHBondContact SG-SG 3.21Å; C35-L198 CarbonylContact C-O 3.58Å; C35-L198 WeakPolarHBondContact CA-O 3.42Å |
| 36 | F | 95.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.1 | -179.4 | -53.8 | -80.8 | 0 | 0 | 0 | 110.5 | D34 I38 I44 I46 E52 L198 | D34-F36 HydrophobicContact CB-CE2 3.85Å; D34-F36 HydrophobicContact CB-CZ 4Å; F36-I38 HydrophobicContact CB-CG2 3.97Å; F36-I44 HydrophobicContact CD1-CD1 4.17Å; F36-I44 HydrophobicContact CD1-CG1 4.47Å; F36-I44 HydrophobicContact CD1-CG2 3.99Å; F36-I44 HydrophobicContact CE1-CD1 4.41Å; F36-I46 CarbonylContact C-O 3.6Å; F36-I46 VanDerWaalsContact CA-O 3.29Å; F36-I46 WeakPolarHBondContact CA-O 3.48Å; F36-E52 WeakPolarHBondContact CE1-OE2 3.43Å; F36-L198 HydrophobicContact CB-CB 4.25Å; F36-L198 HydrophobicContact CD2-CD2 4.05Å; F36-L198 HydrophobicContact CD2-CG 4.21Å; F36-L198 PolarHBondContact N-O 3.12Å; F36-L198 PolarHBondContact O-N 3.05Å |
| 37 | V | 95.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117 | 160.1 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | F10 L45 I46 I190 L195 L196 | F10-V37 HydrophobicContact CD2-CG2 3.87Å; F10-V37 HydrophobicContact CE1-CG2 4.37Å; F10-V37 HydrophobicContact CE2-CG2 3.46Å; F10-V37 VanDerWaalsContact CE2-CG2 3.46Å; F10-V37 HydrophobicContact CG-CG2 4.5Å; F10-V37 HydrophobicContact CZ-CG2 3.74Å; V37-L45 PolarHBondContact O-N 2.79Å; V37-I46 HydrophobicContact CB-CB 3.85Å; V37-I46 HydrophobicContact CB-CD1 4.33Å; V37-I46 HydrophobicContact CB-CG1 4.18Å; V37-I46 HydrophobicContact CG2-CB 3.93Å; V37-I46 HydrophobicContact CG2-CD1 4.07Å; V37-I46 HydrophobicContact CG2-CG1 4.34Å; V37-I46 PolarHBondContact N-O 2.74Å; V37-I46 PolarHBondContact O-N 2.85Å; V37-I190 HydrophobicContact CG1-CD1 4.03Å; V37-L195 HydrophobicContact CG1-CB 4.04Å; V37-L195 HydrophobicContact CG1-CD1 3.99Å; V37-L195 HydrophobicContact CG1-CG 4.48Å; V37-L196 CarbonylContact C-O 3.55Å; V37-L196 WeakPolarHBondContact CA-O 3.48Å |
| 38 | I | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 147.6 | -177.5 | 67.2 | -179.6 | 0 | 0 | 0 | 110.4 | F36 F43 I44 L57 F74 L195 L196 L198 | F36-I38 HydrophobicContact CB-CG2 3.97Å; I38-F43 CarbonylContact C-O 3.44Å; I38-F43 VanDerWaalsContact CA-O 3.25Å; I38-F43 WeakPolarHBondContact CA-O 3.44Å; I38-I44 HydrophobicContact CG2-CG1 4.06Å; I38-L57 HydrophobicContact CD1-CD2 4.08Å; I38-F74 HydrophobicContact CD1-CE2 4.15Å; I38-F74 HydrophobicContact CD1-CZ 4.03Å; I38-L195 WeakPolarHBondContact O-CA 2.99Å; I38-L196 HydrophobicContact CD1-CB 4.11Å; I38-L196 HydrophobicContact CD1-CD1 4.08Å; I38-L196 HydrophobicContact CG1-CB 3.6Å; I38-L196 HydrophobicContact CG1-CD1 4.05Å; I38-L196 HydrophobicContact CG1-CG 4.43Å; I38-L196 PolarHBondContact N-O 2.82Å; I38-L196 PolarHBondContact O-N 2.74Å; I38-L198 HydrophobicContact CD1-CB 4.36Å |
| 39 | D | 95.6 | Very high | 91.9 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | trans | -78.6 | 168.8 | 174 | -162 | 10.5 | 0 | 0 | 0 | 111.6 | N41 G42 F43 L45 N194 L195 | D39-N41 PolarHBondContact O-N 3.48Å; D39-G42 PolarHBondContact O-N 3.31Å; D39-F43 PolarHBondContact N-O 2.97Å; D39-L45 HydrophobicContact CB-CD1 4.4Å; D39-L45 HydrophobicContact CB-CG 4.5Å; D39-N194 PolarHBondContact OD1-ND2 3.12Å; D39-L195 HydrophobicContact CB-CD2 4.46Å | ||
| 40 | N | 94.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.8 | 176.6 | 66.4 | -90.2 | 0 | 0 | 0 | 113.6 | Y165 N194 | N40-Y165 WeakPolarHBondContact O-CB 3.38Å; N40-Y165 PolarHBondContact O-N 3.05Å; N40-N194 HydrophobicContact CB-CB 4.39Å; N40-N194 PolarHBondContact N-O 2.93Å; N40-N194 PolarHBondContact OD1-ND2 3.16Å |
| 41 | N | 95.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 2.1 | 173.9 | -66.2 | 102.1 | 0 | 0 | 0 | 113.8 | D39 F43 F56 F163 | D39-N41 PolarHBondContact O-N 3.48Å; N41-F43 HydrophobicContact CB-CD2 4.02Å; N41-F43 HydrophobicContact CB-CE2 4.35Å; N41-F56 WeakPolarHBondContact O-CE2 3.38Å; N41-F163 WeakPolarHBondContact CA-O 3.3Å; N41-F163 PolarHBondContact ND2-O 2.93Å |
| 42 | G | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 80.2 | 19.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D39 F56 L57 | D39-G42 PolarHBondContact O-N 3.31Å; G42-F56 WeakPolarHBondContact O-CD2 3.37Å; G42-L57 VanDerWaalsContact O-CB 3.3Å; G42-L57 WeakPolarHBondContact O-CB 3.25Å; G42-L57 PolarHBondContact O-N 2.84Å |
| 43 | F | 95.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 43.8 Ų | 43.8 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -87.1 | 137.5 | 171.1 | -74.3 | -82.4 | 0 | 0 | 0 | 111.4 | I38 D39 N41 L45 F56 | I38-F43 CarbonylContact C-O 3.44Å; I38-F43 VanDerWaalsContact CA-O 3.25Å; I38-F43 WeakPolarHBondContact CA-O 3.44Å; D39-F43 PolarHBondContact N-O 2.97Å; N41-F43 HydrophobicContact CB-CD2 4.02Å; N41-F43 HydrophobicContact CB-CE2 4.35Å; F43-L45 PolarHBondContact O-N 3.31Å; F43-F56 HydrophobicContact CD1-CB 4.39Å; F43-F56 HydrophobicContact CE1-CB 4.13Å |
| 44 | I | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.1 | -179.1 | -59.9 | 167.5 | 0 | 0 | 0 | 109.5 | F36 I38 E52 G54 R55 L57 V60 | F36-I44 HydrophobicContact CD1-CD1 4.17Å; F36-I44 HydrophobicContact CD1-CG1 4.47Å; F36-I44 HydrophobicContact CD1-CG2 3.99Å; F36-I44 HydrophobicContact CE1-CD1 4.41Å; I38-I44 HydrophobicContact CG2-CG1 4.06Å; I44-E52 HydrophobicContact CD1-CB 4.41Å; I44-G54 PolarHBondContact O-N 2.92Å; I44-R55 PolarHBondContact N-O 3.36Å; I44-L57 HydrophobicContact CD1-CD1 4.36Å; I44-V60 HydrophobicContact CD1-CB 4.1Å; I44-V60 HydrophobicContact CD1-CG1 4.4Å; I44-V60 HydrophobicContact CD1-CG2 3.83Å |
| 45 | L | 94.5 | Very high | 94 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 34% | 0.34 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -36.3 | 176.5 | -58.4 | -177.1 | 0 | 0 | 0 | 112.4 | V37 D39 F43 T53 L195 | V37-L45 PolarHBondContact O-N 2.79Å; D39-L45 HydrophobicContact CB-CD1 4.4Å; D39-L45 HydrophobicContact CB-CG 4.5Å; F43-L45 PolarHBondContact O-N 3.31Å; L45-T53 WeakPolarHBondContact O-CG2 3.42Å; L45-L195 HydrophobicContact CD1-CD1 4.3Å; L45-L195 HydrophobicContact CD1-CD2 3.4Å; L45-L195 VanDerWaalsContact CD1-CD2 3.4Å; L45-L195 HydrophobicContact CD1-CG 4.49Å |
| 46 | I | 93.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.2 | 178.6 | -59.6 | -179.6 | 0 | 0 | 0 | 107.6 | L6 Q7 F10 W11 F36 V37 | L6-I46 HydrophobicContact CD2-CD1 4.15Å; Q7-I46 HydrophobicContact CG-CG2 4.12Å; F10-I46 HydrophobicContact CB-CD1 4.15Å; F10-I46 HydrophobicContact CD1-CG2 3.86Å; F10-I46 HydrophobicContact CE1-CG2 4.19Å; F10-I46 HydrophobicContact CG-CD1 4.29Å; F10-I46 HydrophobicContact CG-CG2 4.41Å; W11-I46 HydrophobicContact CZ2-CG2 4.16Å; F36-I46 CarbonylContact C-O 3.6Å; F36-I46 VanDerWaalsContact CA-O 3.29Å; F36-I46 WeakPolarHBondContact CA-O 3.48Å; V37-I46 HydrophobicContact CB-CB 3.85Å; V37-I46 HydrophobicContact CB-CD1 4.33Å; V37-I46 HydrophobicContact CB-CG1 4.18Å; V37-I46 HydrophobicContact CG2-CB 3.93Å; V37-I46 HydrophobicContact CG2-CD1 4.07Å; V37-I46 HydrophobicContact CG2-CG1 4.34Å; V37-I46 PolarHBondContact N-O 2.74Å; V37-I46 PolarHBondContact O-N 2.85Å |
| 47 | S | 93.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -137 | 158.5 | 167.3 | 169.8 | 0 | 0 | 0 | 0 | 108.6 | R49 E52 | S47-R49 PolarHBondContact O-N 2.91Å; S47-R49 PolarHBondContact OG-N 2.86Å; S47-R49 PolarHBondContact OG-O 2.89Å; S47-E52 PolarHBondContact OG-OE2 2.87Å | ||
| 48 | K | 89.4 | Confident | 94 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 40% | 0.4 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -59.3 | -35.9 | 166.5 | -170.8 | 172.7 | -169.6 | 166.1 | 0 | 111.7 | W11 E29 D30 | W11-K48 HydrophobicContact CH2-CB 4.31Å; E29-K48 PolarHBondContact O-NZ 2.78Å; D30-K48 VanDerWaalsContact C-NZ 3.31Å; D30-K48 PolarHBondContact O-NZ 2.03Å |
| 49 | R | 90.5 | Very high | 93.9 | Very high | 123 Ų | 123 | 52.6 Ų | 52.6 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -99.4 | 119.4 | -179.3 | -66.1 | 177 | -104.1 | 162.3 | -11 | 110.1 | D34 S47 R51 E52 | D34-R49 IonicContact OD1-NH2 2.7Å; D34-R49 IonicContact OD2-CZ 3.74Å; D34-R49 IonicContact OD2-NH2 3.93Å; D34-R49 PolarHBondContact OD2-NH2 2.95Å; S47-R49 PolarHBondContact O-N 2.91Å; S47-R49 PolarHBondContact OG-N 2.86Å; S47-R49 PolarHBondContact OG-O 2.89Å; R49-R51 PolarHBondContact O-N 2.77Å; R49-R51 VanDerWaalsContact O-N 3.15Å; R49-E52 HydrophobicContact CB-CG 4.35Å; R49-E52 VanDerWaalsContact CD-OE1 3.3Å; R49-E52 WeakPolarHBondContact CD-OE1 2.92Å; R49-E52 IonicContact CZ-OE1 3.04Å; R49-E52 IonicContact NE-OE1 3.44Å; R49-E52 PolarHBondContact NE-OE1 2.78Å; R49-E52 VanDerWaalsContact NE-OE1 3.15Å; R49-E52 IonicContact NE-OE2 2.63Å; R49-E52 IonicContact NH1-OE1 3.58Å; R49-E52 PolarHBondContact NH1-OE1 3.48Å; R49-E52 IonicContact NH2-OE1 3.68Å; R49-E52 PolarHBondContact O-N 2.84Å; R49-E52 VanDerWaalsContact O-N 3.16Å |
| 50 | S | 88.8 | Confident | 93.8 | Very high | 99 Ų | 99 | 53 Ų | 53 | 69% | 0.692 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -61.7 | -26.9 | -176.4 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | E52 T53 | S50-E52 PolarHBondContact O-N 3.29Å; S50-T53 PolarHBondContact O-N 2.78Å |
| 51 | R | 93.4 | Very high | 93.8 | Very high | 221 Ų | 221 | 51.7 Ų | 51.7 | 83% | 0.834 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -69.8 | -16.1 | 179.4 | -65.9 | -175.5 | 176.9 | -178.8 | -0.6 | 114.4 | R49 R55 | R49-R51 PolarHBondContact O-N 2.77Å; R49-R51 VanDerWaalsContact O-N 3.15Å; R51-R55 VanDerWaalsContact O-CD 3.25Å; R51-R55 WeakPolarHBondContact O-CD 3.11Å |
| 52 | E | 93.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -93.8 | -18.9 | -179.7 | -68.6 | 160.2 | -169.4 | 0 | 0 | 112.2 | F36 I44 S47 R49 S50 G54 R55 V60 | F36-E52 WeakPolarHBondContact CE1-OE2 3.43Å; I44-E52 HydrophobicContact CD1-CB 4.41Å; S47-E52 PolarHBondContact OG-OE2 2.87Å; R49-E52 HydrophobicContact CB-CG 4.35Å; R49-E52 VanDerWaalsContact CD-OE1 3.3Å; R49-E52 WeakPolarHBondContact CD-OE1 2.92Å; R49-E52 IonicContact CZ-OE1 3.04Å; R49-E52 IonicContact NE-OE1 3.44Å; R49-E52 PolarHBondContact NE-OE1 2.78Å; R49-E52 VanDerWaalsContact NE-OE1 3.15Å; R49-E52 IonicContact NE-OE2 2.63Å; R49-E52 IonicContact NH1-OE1 3.58Å; R49-E52 PolarHBondContact NH1-OE1 3.48Å; R49-E52 IonicContact NH2-OE1 3.68Å; R49-E52 PolarHBondContact O-N 2.84Å; R49-E52 VanDerWaalsContact O-N 3.16Å; S50-E52 PolarHBondContact O-N 3.29Å; E52-G54 PolarHBondContact O-N 3.35Å; E52-R55 WeakPolarHBondContact O-CB 3.29Å; E52-R55 PolarHBondContact O-N 2.84Å; E52-R55 VanDerWaalsContact O-N 3.08Å; E52-V60 HydrophobicContact CB-CG2 4.42Å; E52-V60 HydrophobicContact CG-CG1 3.95Å; E52-V60 HydrophobicContact CG-CG2 4.2Å |
| 53 | T | 93.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 129.5 | 178.8 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | L3 L45 S50 R55 | L3-T53 HydrophobicContact CD2-CG2 4.17Å; L45-T53 WeakPolarHBondContact O-CG2 3.42Å; S50-T53 PolarHBondContact O-N 2.78Å; T53-R55 VanDerWaalsContact C-N 3.29Å |
| 54 | G | 93.5 | Very high | 93.7 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 58% | 0.577 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | I44 E52 | I44-G54 PolarHBondContact O-N 2.92Å; E52-G54 PolarHBondContact O-N 3.35Å |
| 55 | R | 95.4 | Very high | 93.6 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -86.3 | 158.9 | 174 | -64.9 | -177.4 | 73.9 | -168.5 | 8.3 | 111.1 | I44 R51 E52 T53 E59 V60 | I44-R55 PolarHBondContact N-O 3.36Å; R51-R55 VanDerWaalsContact O-CD 3.25Å; R51-R55 WeakPolarHBondContact O-CD 3.11Å; E52-R55 WeakPolarHBondContact O-CB 3.29Å; E52-R55 PolarHBondContact O-N 2.84Å; E52-R55 VanDerWaalsContact O-N 3.08Å; T53-R55 VanDerWaalsContact C-N 3.29Å; R55-E59 IonicContact CZ-OE1 2.93Å; R55-E59 IonicContact CZ-OE2 2.67Å; R55-E59 IonicContact NE-OE1 3.69Å; R55-E59 PolarHBondContact NE-OE1 3.45Å; R55-E59 IonicContact NE-OE2 3.45Å; R55-E59 PolarHBondContact NE-OE2 3Å; R55-E59 IonicContact NH2-OE1 3.55Å; R55-E59 PolarHBondContact NH2-OE1 3.25Å; R55-E59 IonicContact NH2-OE2 2.94Å; R55-V60 HydrophobicContact CB-CG2 4Å |
| 56 | F | 96.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -77.2 | 137.8 | 175.1 | -179.6 | -122.9 | 0 | 0 | 0 | 110.4 | N41 G42 F43 G58 E59 V60 L65 F163 V212 Q214 | N41-F56 WeakPolarHBondContact O-CE2 3.38Å; G42-F56 WeakPolarHBondContact O-CD2 3.37Å; F43-F56 HydrophobicContact CD1-CB 4.39Å; F43-F56 HydrophobicContact CE1-CB 4.13Å; F56-G58 PolarHBondContact O-N 3.15Å; F56-E59 HydrophobicContact CB-CB 4.49Å; F56-E59 WeakPolarHBondContact O-CB 3.43Å; F56-E59 PolarHBondContact O-N 3.04Å; F56-V60 PolarHBondContact O-N 3.4Å; F56-L65 HydrophobicContact CE1-CD2 3.43Å; F56-L65 VanDerWaalsContact CE1-CD2 3.43Å; F56-L65 HydrophobicContact CE2-CD2 4.38Å; F56-L65 HydrophobicContact CZ-CD2 3.31Å; F56-F163 AromaticContact CE1-CD2 3.79Å; F56-F163 HydrophobicContact CE1-CD2 3.79Å; F56-F163 AromaticContact CE1-CE2 3.66Å; F56-F163 HydrophobicContact CE1-CE2 3.66Å; F56-F163 HydrophobicContact CE1-CZ 4.46Å; F56-F163 HydrophobicContact CE2-CB 4.34Å; F56-F163 AromaticContact CE2-CD2 3.8Å; F56-F163 HydrophobicContact CE2-CD2 3.8Å; F56-F163 HydrophobicContact CE2-CG 4.27Å; F56-F163 HydrophobicContact CZ-CB 4.23Å; F56-F163 AromaticContact CZ-CD2 3.11Å; F56-F163 HydrophobicContact CZ-CD2 3.11Å; F56-F163 AromaticContact CZ-CE2 3.48Å; F56-F163 HydrophobicContact CZ-CE2 3.48Å; F56-F163 VanDerWaalsContact CZ-CE2 3.48Å; F56-F163 AromaticContact CZ-CG 3.69Å; F56-F163 HydrophobicContact CZ-CG 3.69Å; F56-F163 HydrophobicContact CZ-CZ 4.33Å; F56-V212 VanDerWaalsContact CD1-O 3.31Å; F56-V212 WeakPolarHBondContact CD1-O 3.47Å; F56-V212 HydrophobicContact CE1-CG1 4.33Å; F56-V212 VanDerWaalsContact CE1-O 3.32Å; F56-V212 WeakPolarHBondContact CE1-O 3.31Å; F56-Q214 HydrophobicContact CD1-CG 4.03Å; F56-Q214 HydrophobicContact CE1-CG 4.08Å; F56-Q214 HydrophobicContact CG-CG 4.31Å; F56-Q214 VanDerWaalsContact CG-NE2 3.35Å; F56-Q214 HydrophobicContact CZ-CG 4.43Å |
| 57 | L | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.7 | -40.5 | -179.1 | 179.7 | 64.3 | 0 | 0 | 0 | 111.9 | I38 G42 I44 E59 V60 D61 L65 L68 L198 | I38-L57 HydrophobicContact CD1-CD2 4.08Å; G42-L57 VanDerWaalsContact O-CB 3.3Å; G42-L57 WeakPolarHBondContact O-CB 3.25Å; G42-L57 PolarHBondContact O-N 2.84Å; I44-L57 HydrophobicContact CD1-CD1 4.36Å; L57-E59 PolarHBondContact O-N 2.63Å; L57-V60 PolarHBondContact O-N 3.45Å; L57-V60 VanDerWaalsContact O-N 3.1Å; L57-D61 HydrophobicContact CD1-CB 4.45Å; L57-D61 CarbonylContact O-C 3.59Å; L57-D61 PolarHBondContact O-N 2.57Å; L57-L65 HydrophobicContact CD2-CD1 4.46Å; L57-L68 HydrophobicContact CD2-CD1 4.21Å; L57-L198 HydrophobicContact CD1-CD2 3.7Å; L57-L198 HydrophobicContact CD2-CD2 3.74Å; L57-L198 HydrophobicContact CG-CD2 4.39Å |
| 58 | G | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -22.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F56 G62 P211 V212 | F56-G58 PolarHBondContact O-N 3.15Å; G58-G62 WeakPolarHBondContact O-CA 3.37Å; G58-G62 PolarHBondContact O-N 3.16Å; G58-P211 CarbonylContact O-C 3.57Å; G58-P211 WeakPolarHBondContact O-CA 3.42Å; G58-V212 CarbonylContact C-O 3.56Å; G58-V212 VanDerWaalsContact C-O 3.24Å; G58-V212 WeakPolarHBondContact CA-O 3.45Å; G58-V212 PolarHBondContact O-N 3.18Å |
| 59 | E | 94.1 | Very high | 94.1 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -81.4 | -29.5 | 175.8 | -164 | -167.4 | 174.7 | 0 | 0 | 111.8 | R55 F56 L57 L213 | R55-E59 IonicContact CZ-OE1 2.93Å; R55-E59 IonicContact CZ-OE2 2.67Å; R55-E59 IonicContact NE-OE1 3.69Å; R55-E59 PolarHBondContact NE-OE1 3.45Å; R55-E59 IonicContact NE-OE2 3.45Å; R55-E59 PolarHBondContact NE-OE2 3Å; R55-E59 IonicContact NH2-OE1 3.55Å; R55-E59 PolarHBondContact NH2-OE1 3.25Å; R55-E59 IonicContact NH2-OE2 2.94Å; F56-E59 HydrophobicContact CB-CB 4.49Å; F56-E59 WeakPolarHBondContact O-CB 3.43Å; F56-E59 PolarHBondContact O-N 3.04Å; L57-E59 PolarHBondContact O-N 2.63Å; E59-L213 HydrophobicContact CB-CD2 4.33Å; E59-L213 HydrophobicContact CG-CD2 3.92Å |
| 60 | V | 93.6 | Very high | 94.3 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 26% | 0.255 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -89.3 | -46.9 | -179.9 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | I44 E52 R55 F56 L57 | I44-V60 HydrophobicContact CD1-CB 4.1Å; I44-V60 HydrophobicContact CD1-CG1 4.4Å; I44-V60 HydrophobicContact CD1-CG2 3.83Å; E52-V60 HydrophobicContact CB-CG2 4.42Å; E52-V60 HydrophobicContact CG-CG1 3.95Å; E52-V60 HydrophobicContact CG-CG2 4.2Å; R55-V60 HydrophobicContact CB-CG2 4Å; F56-V60 PolarHBondContact O-N 3.4Å; L57-V60 PolarHBondContact O-N 3.45Å; L57-V60 VanDerWaalsContact O-N 3.1Å |
| 61 | D | 93.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | trans | -139.2 | 83.4 | 179.7 | -163.7 | -27.5 | 0 | 0 | 0 | 110.7 | L57 A63 V64 L65 K183 | L57-D61 HydrophobicContact CD1-CB 4.45Å; L57-D61 CarbonylContact O-C 3.59Å; L57-D61 PolarHBondContact O-N 2.57Å; D61-A63 PolarHBondContact O-N 2.92Å; D61-A63 WeakPolarHBondContact OD1-CB 3.41Å; D61-A63 PolarHBondContact OD1-N 2.76Å; D61-V64 HydrophobicContact CB-CB 4.46Å; D61-V64 PolarHBondContact OD1-N 2.86Å; D61-V64 WeakPolarHBondContact OD2-CG2 3.2Å; D61-L65 PolarHBondContact O-N 2.89Å; D61-K183 WeakPolarHBondContact OD2-CE 3.35Å; D61-K183 IonicContact OD2-NZ 2.99Å; D61-K183 PolarHBondContact OD2-NZ 3.02Å | ||
| 62 | G | 93.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -27 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G58 T66 | G58-G62 WeakPolarHBondContact O-CA 3.37Å; G58-G62 PolarHBondContact O-N 3.16Å; G62-T66 VanDerWaalsContact O-CB 3.29Å; G62-T66 WeakPolarHBondContact O-CB 3.36Å; G62-T66 PolarHBondContact O-N 3.01Å; G62-T66 PolarHBondContact O-OG1 3.19Å |
| 63 | A | 94.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.9 | -49.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D61 T66 Q67 V176 C206 F209 | D61-A63 PolarHBondContact O-N 2.92Å; D61-A63 WeakPolarHBondContact OD1-CB 3.41Å; D61-A63 PolarHBondContact OD1-N 2.76Å; A63-T66 PolarHBondContact O-N 2.95Å; A63-Q67 PolarHBondContact O-N 2.88Å; A63-Q67 VanDerWaalsContact O-N 3.15Å; A63-V176 HydrophobicContact CB-CG1 4.13Å; A63-C206 HydrophobicContact CB-CB 3.63Å; A63-F209 HydrophobicContact CB-CB 3.83Å; A63-F209 HydrophobicContact CB-CD2 3.51Å; A63-F209 HydrophobicContact CB-CE2 4.23Å; A63-F209 HydrophobicContact CB-CG 3.73Å |
| 64 | V | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111 | D61 T66 Q67 L68 F185 L198 T200 | D61-V64 HydrophobicContact CB-CB 4.46Å; D61-V64 PolarHBondContact OD1-N 2.86Å; D61-V64 WeakPolarHBondContact OD2-CG2 3.2Å; V64-T66 VanDerWaalsContact C-N 3.35Å; V64-T66 PolarHBondContact O-N 2.83Å; V64-Q67 PolarHBondContact O-N 3.01Å; V64-L68 HydrophobicContact CG1-CD1 3.9Å; V64-L68 HydrophobicContact CG1-CG 4.26Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.3Å; V64-L68 PolarHBondContact O-N 3.18Å; V64-F185 HydrophobicContact CG1-CB 4.44Å; V64-F185 HydrophobicContact CG1-CD2 4.32Å; V64-F185 HydrophobicContact CG1-CG 4.2Å; V64-F185 HydrophobicContact CG2-CB 4.49Å; V64-L198 HydrophobicContact CG1-CD1 3.95Å; V64-L198 HydrophobicContact CG1-CD2 4.1Å; V64-T200 HydrophobicContact CG1-CG2 4.49Å; V64-T200 HydrophobicContact CG2-CG2 3.98Å |
| 65 | L | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 179.2 | -177.6 | 67.1 | 0 | 0 | 0 | 112.2 | F56 L57 D61 Q67 L68 L69 F74 V212 | F56-L65 HydrophobicContact CE1-CD2 3.43Å; F56-L65 VanDerWaalsContact CE1-CD2 3.43Å; F56-L65 HydrophobicContact CE2-CD2 4.38Å; F56-L65 HydrophobicContact CZ-CD2 3.31Å; L57-L65 HydrophobicContact CD2-CD1 4.46Å; D61-L65 PolarHBondContact O-N 2.89Å; L65-Q67 VanDerWaalsContact C-N 3.26Å; L65-Q67 PolarHBondContact O-N 2.85Å; L65-L68 PolarHBondContact O-N 3.09Å; L65-L69 HydrophobicContact CG-CD1 4.34Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 3Å; L65-F74 HydrophobicContact CD1-CD2 4.31Å; L65-F74 HydrophobicContact CD1-CG 4.39Å; L65-V212 HydrophobicContact CD2-CB 3.86Å; L65-V212 HydrophobicContact CD2-CG1 3.84Å; L65-V212 HydrophobicContact CD2-CG2 4.35Å |
| 66 | T | 94.8 | Very high | 94.9 | Very high | 53 Ų | 53 | 30.4 Ų | 30.4 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | G62 A63 V64 L69 S70 | G62-T66 VanDerWaalsContact O-CB 3.29Å; G62-T66 WeakPolarHBondContact O-CB 3.36Å; G62-T66 PolarHBondContact O-N 3.01Å; G62-T66 PolarHBondContact O-OG1 3.19Å; A63-T66 PolarHBondContact O-N 2.95Å; V64-T66 VanDerWaalsContact C-N 3.35Å; V64-T66 PolarHBondContact O-N 2.83Å; T66-L69 WeakPolarHBondContact O-CB 3.17Å; T66-L69 PolarHBondContact O-N 2.87Å; T66-S70 PolarHBondContact O-N 3.33Å |
| 67 | Q | 95.2 | Very high | 94.8 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.4 | -37.7 | 175.6 | -170.8 | 64.1 | 2.5 | 0 | 0 | 112.6 | A63 V64 L65 L69 S70 M71 V176 F185 | A63-Q67 PolarHBondContact O-N 2.88Å; A63-Q67 VanDerWaalsContact O-N 3.15Å; V64-Q67 PolarHBondContact O-N 3.01Å; L65-Q67 VanDerWaalsContact C-N 3.26Å; L65-Q67 PolarHBondContact O-N 2.85Å; Q67-L69 VanDerWaalsContact C-N 3.26Å; Q67-L69 PolarHBondContact O-N 2.84Å; Q67-S70 PolarHBondContact O-N 2.69Å; Q67-S70 PolarHBondContact O-OG 3.15Å; Q67-S70 PolarHBondContact OE1-OG 2.7Å; Q67-S70 VanDerWaalsContact OE1-OG 3.06Å; Q67-M71 HydrophobicContact CG-SD 4.12Å; Q67-M71 WeakPolarHBondContact O-CB 3.48Å; Q67-M71 VanDerWaalsContact O-CG 3.26Å; Q67-M71 WeakPolarHBondContact O-CG 3.4Å; Q67-M71 PolarHBondContact O-N 3.04Å; Q67-V176 HydrophobicContact CB-CG2 3.92Å; Q67-V176 HydrophobicContact CG-CG2 4.14Å; Q67-F185 HydrophobicContact CB-CE1 4.14Å; Q67-F185 HydrophobicContact CB-CZ 4.18Å; Q67-F185 HydrophobicContact CG-CE1 3.65Å; Q67-F185 HydrophobicContact CG-CZ 3.63Å |
| 68 | L | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -31.6 | 174.6 | -69.8 | 171.5 | 0 | 0 | 0 | 112.5 | L57 V64 L65 G72 V73 F74 F185 V187 | L57-L68 HydrophobicContact CD2-CD1 4.21Å; V64-L68 HydrophobicContact CG1-CD1 3.9Å; V64-L68 HydrophobicContact CG1-CG 4.26Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.3Å; V64-L68 PolarHBondContact O-N 3.18Å; L65-L68 PolarHBondContact O-N 3.09Å; L68-G72 PolarHBondContact O-N 2.92Å; L68-V73 HydrophobicContact CB-CB 4.31Å; L68-V73 HydrophobicContact CD2-CB 3.99Å; L68-V73 HydrophobicContact CD2-CG1 4.06Å; L68-V73 HydrophobicContact CD2-CG2 4.02Å; L68-V73 PolarHBondContact O-N 2.94Å; L68-F74 HydrophobicContact CB-CD2 4Å; L68-F74 HydrophobicContact CD1-CD2 4.12Å; L68-F74 HydrophobicContact CD1-CE2 4.09Å; L68-F74 PolarHBondContact O-N 2.83Å; L68-F185 HydrophobicContact CD2-CD2 4.3Å; L68-F185 HydrophobicContact CD2-CE2 3.63Å; L68-F185 HydrophobicContact CD2-CZ 4.41Å; L68-F185 HydrophobicContact CG-CE2 4.25Å; L68-V187 HydrophobicContact CD2-CB 4.41Å |
| 69 | L | 95.3 | Very high | 94.8 | Very high | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.225 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.9 | -43.6 | 171.4 | -70.7 | 168.4 | 0 | 0 | 0 | 111.6 | L65 T66 Q67 M71 G72 F74 Q76 F163 | L65-L69 HydrophobicContact CG-CD1 4.34Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 3Å; T66-L69 WeakPolarHBondContact O-CB 3.17Å; T66-L69 PolarHBondContact O-N 2.87Å; Q67-L69 VanDerWaalsContact C-N 3.26Å; Q67-L69 PolarHBondContact O-N 2.84Å; L69-M71 VanDerWaalsContact C-N 3.28Å; L69-M71 PolarHBondContact O-N 2.68Å; L69-G72 PolarHBondContact O-N 3.08Å; L69-G72 VanDerWaalsContact O-N 3.08Å; L69-F74 HydrophobicContact CD2-CB 3.87Å; L69-Q76 HydrophobicContact CD2-CB 4.29Å; L69-F163 HydrophobicContact CD1-CD1 4.44Å; L69-F163 HydrophobicContact CD1-CE1 3.81Å; L69-F163 HydrophobicContact CD2-CD1 3.84Å; L69-F163 HydrophobicContact CD2-CE1 3.93Å; L69-F163 HydrophobicContact CG-CE1 4.44Å |
| 70 | S | 94.5 | Very high | 94.7 | Very high | 83 Ų | 83 | 42.1 Ų | 42.1 | 58% | 0.58 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.8 | -33.9 | 178.9 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | T66 Q67 G72 | T66-S70 PolarHBondContact O-N 3.33Å; Q67-S70 PolarHBondContact O-N 2.69Å; Q67-S70 PolarHBondContact O-OG 3.15Å; Q67-S70 PolarHBondContact OE1-OG 2.7Å; Q67-S70 VanDerWaalsContact OE1-OG 3.06Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 2.93Å |
| 71 | M | 94.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 43.1 Ų | 43.1 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.4 | 174.7 | -66.4 | 175.3 | 71.2 | 0 | 0 | 113.9 | Q67 L69 V73 A172 N173 F185 | Q67-M71 HydrophobicContact CG-SD 4.12Å; Q67-M71 WeakPolarHBondContact O-CB 3.48Å; Q67-M71 VanDerWaalsContact O-CG 3.26Å; Q67-M71 WeakPolarHBondContact O-CG 3.4Å; Q67-M71 PolarHBondContact O-N 3.04Å; L69-M71 VanDerWaalsContact C-N 3.28Å; L69-M71 PolarHBondContact O-N 2.68Å; M71-V73 VanDerWaalsContact C-N 3.26Å; M71-V73 HydrophobicContact CB-CG2 4.04Å; M71-V73 PolarHBondContact O-N 3.48Å; M71-A172 HydrophobicContact CE-CB 3.88Å; M71-N173 WeakPolarHBondContact CE-O 3.44Å; M71-F185 HydrophobicContact SD-CE2 4.23Å; M71-F185 HydrophobicContact SD-CZ 3.71Å |
| 72 | G | 94.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 9.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L68 L69 S70 F74 Q166 | L68-G72 PolarHBondContact O-N 2.92Å; L69-G72 PolarHBondContact O-N 3.08Å; L69-G72 VanDerWaalsContact O-N 3.08Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 2.93Å; G72-F74 VanDerWaalsContact C-N 3.3Å; G72-Q166 PolarHBondContact O-NE2 3.39Å; G72-Q166 PolarHBondContact O-OE1 3.49Å |
| 73 | V | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -64 | -41.6 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | L68 M71 Y165 Q166 I169 A172 V187 | L68-V73 HydrophobicContact CB-CB 4.31Å; L68-V73 HydrophobicContact CD2-CB 3.99Å; L68-V73 HydrophobicContact CD2-CG1 4.06Å; L68-V73 HydrophobicContact CD2-CG2 4.02Å; L68-V73 PolarHBondContact O-N 2.94Å; M71-V73 VanDerWaalsContact C-N 3.26Å; M71-V73 HydrophobicContact CB-CG2 4.04Å; M71-V73 PolarHBondContact O-N 3.48Å; V73-Y165 HydrophobicContact CG1-CD2 3.9Å; V73-Y165 HydrophobicContact CG1-CE2 3.88Å; V73-Y165 VanDerWaalsContact O-CD2 3.31Å; V73-Y165 WeakPolarHBondContact O-CD2 3.49Å; V73-Q166 PolarHBondContact O-N 3.38Å; V73-I169 HydrophobicContact CG2-CD1 4.32Å; V73-I169 HydrophobicContact CG2-CG2 4.13Å; V73-A172 HydrophobicContact CG2-CB 3.61Å; V73-V187 HydrophobicContact CG1-CG1 4.1Å |
| 74 | F | 95.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 146.7 | 168.6 | -79.9 | -87.7 | 0 | 0 | 0 | 110.3 | I38 L65 L68 L69 G72 F163 L196 | I38-F74 HydrophobicContact CD1-CE2 4.15Å; I38-F74 HydrophobicContact CD1-CZ 4.03Å; L65-F74 HydrophobicContact CD1-CD2 4.31Å; L65-F74 HydrophobicContact CD1-CG 4.39Å; L68-F74 HydrophobicContact CB-CD2 4Å; L68-F74 HydrophobicContact CD1-CD2 4.12Å; L68-F74 HydrophobicContact CD1-CE2 4.09Å; L68-F74 PolarHBondContact O-N 2.83Å; L69-F74 HydrophobicContact CD2-CB 3.87Å; G72-F74 VanDerWaalsContact C-N 3.3Å; F74-F163 HydrophobicContact CD1-CB 4.25Å; F74-L196 HydrophobicContact CE2-CD1 4.2Å; F74-L196 HydrophobicContact CZ-CD1 3.76Å |
| 75 | S | 95.6 | Very high | 94.6 | Very high | 33 Ų | 33 | 61.9 Ų | 61.9 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.1 | 167.7 | 50 | 0 | 0 | 0 | 0 | 110.3 | F163 V164 | S75-F163 WeakPolarHBondContact O-CA 3.18Å; S75-V164 PolarHBondContact N-O 3.13Å; S75-V164 PolarHBondContact O-N 3.14Å; S75-V164 PolarHBondContact OG-O 2.94Å |
| 76 | Q | 95.4 | Very high | 94.4 | Very high | 116 Ų | 116 | 62.7 Ų | 62.7 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125 | 170.2 | -176.7 | -179 | -10.6 | 0 | 0 | 109.2 | L69 P161 F163 | L69-Q76 HydrophobicContact CD2-CB 4.29Å; Q76-P161 HydrophobicContact CG-CB 4.06Å; Q76-F163 HydrophobicContact CB-CD1 4.19Å; Q76-F163 HydrophobicContact CB-CE1 3.88Å; Q76-F163 HydrophobicContact CG-CD1 4.47Å; Q76-F163 HydrophobicContact CG-CE1 3.88Å; Q76-F163 HydrophobicContact CG-CZ 4.3Å |
| 77 | V | 94.5 | Very high | 94.2 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.8 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | V162 | V77-V162 PolarHBondContact N-O 3.27Å; V77-V162 PolarHBondContact O-N 3.07Å |
| 78 | T | 94.5 | Very high | 93.5 | Very high | 75 Ų | 75 | 66 Ų | 66 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123.1 | 175 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 79 | M | 94.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 68.8 Ų | 68.8 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.7 | 175.1 | -73 | -73.5 | -83.7 | 0 | 0 | 109.6 | E159 Y160 V162 | M79-E159 CarbonylContact O-C 3.57Å; M79-E159 VanDerWaalsContact O-CA 3.25Å; M79-E159 WeakPolarHBondContact O-CA 3.25Å; M79-Y160 HydrophobicContact CB-CD1 4.45Å; M79-Y160 HydrophobicContact CB-CD2 4.24Å; M79-Y160 HydrophobicContact CB-CE1 4.02Å; M79-Y160 HydrophobicContact CB-CE2 3.79Å; M79-Y160 HydrophobicContact CG-CE2 4.41Å; M79-Y160 PolarHBondContact N-O 3.2Å; M79-Y160 PolarHBondContact O-N 3.29Å; M79-V162 HydrophobicContact CB-CG2 4.01Å; M79-V162 HydrophobicContact CG-CB 4.11Å; M79-V162 HydrophobicContact CG-CG2 3.55Å |
| 80 | Y | 93.4 | Very high | 90.9 | Very high | 102 Ų | 102 | 71.1 Ų | 71.1 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.4 | 179.1 | -69.6 | -85 | 0 | 0 | 0 | 110.1 | T158 E159 V219 | Y80-T158 CarbonylContact C-O 3.5Å; Y80-T158 WeakPolarHBondContact CA-O 3.13Å; Y80-E159 HydrophobicContact CD1-CB 3.8Å; Y80-E159 HydrophobicContact CE1-CB 3.63Å; Y80-E159 HydrophobicContact CE1-CG 4.45Å; Y80-E159 WeakPolarHBondContact CE1-OE2 3.25Å; Y80-E159 VanDerWaalsContact CZ-OE2 3.27Å; Y80-E159 PolarHBondContact OH-OE2 3.42Å; Y80-V219 HydrophobicContact CD1-CG2 4.15Å; Y80-V219 HydrophobicContact CE1-CG2 4.08Å |
| 81 | D | 96 | Very high | 89 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 110.6 | 169.9 | -176.9 | 1.4 | 0 | 0 | 0 | 109.5 | Q83 A84 D157 T158 Y160 | D81-Q83 VanDerWaalsContact C-N 3.3Å; D81-Q83 PolarHBondContact OD1-N 2.9Å; D81-A84 HydrophobicContact CB-CB 4.46Å; D81-A84 PolarHBondContact OD1-N 3.01Å; D81-D157 CarbonylContact O-C 3.6Å; D81-D157 WeakPolarHBondContact O-CA 3.4Å; D81-T158 PolarHBondContact N-O 3.43Å; D81-T158 PolarHBondContact O-N 3.03Å; D81-Y160 HydrophobicContact CB-CE1 4.38Å |
| 82 | Y | 92.6 | Very high | 86.8 | Confident | 107 Ų | 107 | 78.2 Ų | 78.2 | 42% | 0.42 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 4.8 | 179.9 | -65.4 | -74.6 | 0 | 0 | 0 | 113.2 | D157 Y221 R229 | Y82-D157 WeakPolarHBondContact CA-OD1 2.94Å; Y82-D157 HydrophobicContact CD1-CB 4.21Å; Y82-D157 VanDerWaalsContact CD1-CG 3.47Å; Y82-D157 WeakPolarHBondContact CD1-OD2 3.44Å; Y82-Y221 WeakPolarHBondContact CE1-OH 3.3Å; Y82-R229 PolarHBondContact OH-NH1 2.97Å |
| 83 | Q | 94.4 | Very high | 84.7 | Confident | 174 Ų | 174 | 85.2 Ų | 85.2 | 81% | 0.813 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 15.9 | -176.4 | -60.9 | -172.9 | -43.7 | 0 | 0 | 112.1 | D81 | D81-Q83 VanDerWaalsContact C-N 3.3Å; D81-Q83 PolarHBondContact OD1-N 2.9Å |
| 84 | A | 93.9 | Very high | 82.6 | Confident | 14 Ų | 14 | 90 Ų | 90 | 12% | 0.116 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 159.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D81 P155 C156 T158 | D81-A84 HydrophobicContact CB-CB 4.46Å; D81-A84 PolarHBondContact OD1-N 3.01Å; A84-P155 WeakPolarHBondContact O-CA 3.13Å; A84-C156 PolarHBondContact N-O 3.22Å; A84-C156 PolarHBondContact O-N 2.85Å; A84-T158 HydrophobicContact CB-CG2 3.62Å; A84-T158 WeakPolarHBondContact CB-OG1 3.04Å |
| 85 | M | 92.1 | Very high | 80.6 | Confident | 125 Ų | 125 | 94.8 Ų | 94.8 | 62% | 0.616 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.2 | 174.7 | -61.1 | -166.5 | 87.7 | 0 | 0 | 109.7 | L153 Q154 | M85-L153 HydrophobicContact CB-CB 4.25Å; M85-L153 HydrophobicContact CB-CD1 4.41Å; M85-L153 HydrophobicContact CE-CB 4.06Å; M85-Q154 CarbonylContact C-O 3.58Å; M85-Q154 WeakPolarHBondContact CA-O 3.45Å |
| 86 | C | 90.6 | Very high | 78.8 | Confident | 17 Ų | 17 | 96.8 Ų | 96.8 | 12% | 0.115 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 152.1 | -179.6 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | Q154 C156 | C86-Q154 PolarHBondContact N-O 2.82Å; C86-Q154 PolarHBondContact O-N 3.13Å; C86-C156 VanDerWaalsContact CA-SG 3.55Å; C86-C156 HydrophobicContact CB-CB 3.56Å; C86-C156 WeakPolarHBondContact CB-SG 3.17Å; C86-C156 PolarHBondContact N-SG 3.29Å; C86-C156 WeakPolarHBondContact SG-CB 3.41Å; C86-C156 CovalentContact SG-SG 2.01Å; C86-C156 PolarHBondContact SG-SG 3.14Å |
| 87 | K | 89.4 | Confident | 77 | Confident | 138 Ų | 138 | 99.2 Ų | 99.2 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 127.3 | 163.7 | -65.7 | -175.8 | -179.5 | -168.9 | 0 | 107.7 | S89 D151 L153 | K87-S89 PolarHBondContact O-N 3.36Å; K87-D151 IonicContact NZ-OD2 3.88Å; K87-L153 HydrophobicContact CG-CD2 3.69Å |
| 88 | P | 81.1 | Confident | 75.4 | Confident | 46 Ų | 46 | 101.3 Ų | 101.3 | 30% | 0.299 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 131.5 | 175.7 | 23.3 | -31.2 | 0 | 0 | 0 | 108.2 | S90 P152 Q154 | P88-S90 PolarHBondContact O-N 3.24Å; P88-S90 VanDerWaalsContact O-N 3.14Å; P88-P152 WeakPolarHBondContact CD-O 3.36Å; P88-P152 HydrophobicContact CG-CG 4.35Å; P88-P152 WeakPolarHBondContact CG-O 3.17Å; P88-Q154 HydrophobicContact CB-CG 4.4Å |
| 89 | S | 74.4 | Confident | 73.9 | Confident | 60 Ų | 60 | 106.1 Ų | 106.1 | 42% | 0.42 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 125.3 | 168 | 56.6 | 0 | 0 | 0 | 0 | 107.5 | K87 H91 | K87-S89 PolarHBondContact O-N 3.36Å; S89-H91 PolarHBondContact O-N 3.1Å; S89-H91 PolarHBondContact OG-CD2 3.39Å |
| 90 | S | 62.8 | Low | 72.4 | Confident | 92 Ų | 92 | 106.5 Ų | 106.5 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | trans | -66.9 | 76 | -180 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | P88 H92 | P88-S90 PolarHBondContact O-N 3.24Å; P88-S90 VanDerWaalsContact O-N 3.14Å; S90-H92 PolarHBondContact O-N 2.75Å | ||
| 91 | H | 54.3 | Low | 71.4 | Confident | 140 Ų | 140 | 104.4 Ų | 104.4 | 65% | 0.648 | 58% | 0.578 | S | S | * | * | trans | -69.8 | 92.3 | 156.5 | -72.7 | -65.2 | 0 | 0 | 0 | 105.2 | S89 H93 | S89-H91 PolarHBondContact O-N 3.1Å; S89-H91 PolarHBondContact OG-CD2 3.39Å; H91-H93 PolarHBondContact O-N 2.63Å | ||
| 92 | H | 47.8 | Very low | 70.2 | Confident | 159 Ų | 159 | 106.8 Ų | 106.8 | 74% | 0.736 | 60% | 0.597 | S | S | * | * | trans | -62.4 | 82.7 | 165.6 | -64.4 | -65.3 | 0 | 0 | 0 | 107.5 | S90 S94 | S90-H92 PolarHBondContact O-N 2.75Å; H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact O-N 3.24Å | ||
| 93 | H | 51.4 | Low | 69.4 | Low | 166 Ų | 166 | 107.3 Ų | 107.3 | 77% | 0.769 | 61% | 0.606 | S | S | * | * | trans | -65.4 | 104.3 | 152.9 | -64.1 | -69.5 | 0 | 0 | 0 | 104.3 | H91 A95 | H91-H93 PolarHBondContact O-N 2.63Å; H93-A95 PolarHBondContact O-N 3.04Å | ||
| 94 | S | 50.1 | Low | 68.4 | Low | 102 Ų | 102 | 100.9 Ų | 100.9 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | trans | -50.9 | 105.1 | 172.5 | -66.9 | 0 | 0 | 0 | 0 | 107.8 | H92 A96 | H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact O-N 3.24Å; S94-A96 PolarHBondContact O-N 3.35Å | ||
| 95 | A | 54.3 | Low | 67.7 | Low | 103 Ų | 103 | 102.7 Ų | 102.7 | 85% | 0.851 | 60% | 0.595 | S | S | * | * | trans | -71.3 | 13 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H93 Q97 | H93-A95 PolarHBondContact O-N 3.04Å; A95-Q97 PolarHBondContact O-N 3.44Å | ||
| 96 | A | 57.3 | Low | 67.2 | Low | 75 Ų | 75 | 103.4 Ų | 103.4 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | trans | -60.4 | 109.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | S94 | S94-A96 PolarHBondContact O-N 3.35Š| ||
| 97 | Q | 58.4 | Low | 66.8 | Low | 167 Ų | 167 | 107.6 Ų | 107.6 | 78% | 0.78 | 62% | 0.616 | S | S | * | * | trans | -52.7 | 131.8 | 165.8 | -66.9 | -178.1 | -31.5 | 0 | 0 | 106.8 | A95 L99 | A95-Q97 PolarHBondContact O-N 3.44Å; Q97-L99 PolarHBondContact O-N 2.67Å | ||
| 98 | P | 60.3 | Low | 66.4 | Low | 112 Ų | 112 | 105.7 Ų | 105.7 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | trans | -53.2 | 134.2 | 174.4 | 23.2 | -31.7 | 0 | 0 | 0 | 107.4 | V100 | P98-V100 PolarHBondContact O-N 2.94Š| ||
| 99 | L | 61.9 | Low | 66.6 | Low | 177 Ų | 177 | 105.8 Ų | 105.8 | 93% | 0.927 | 62% | 0.621 | S | S | * | * | trans | -52.4 | 104.9 | 177.7 | -73.8 | 159.2 | 0 | 0 | 0 | 107.6 | Q97 S101 | Q97-L99 PolarHBondContact O-N 2.67Å; L99-S101 PolarHBondContact O-N 2.93Å; L99-S101 VanDerWaalsContact O-N 3.15Å | ||
| 100 | V | 63.8 | Low | 66.9 | Low | 97 Ų | 97 | 105 Ų | 105 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | trans | -55.7 | 121.9 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 105.7 | P98 S104 A105 | P98-V100 PolarHBondContact O-N 2.94Å; V100-S104 WeakPolarHBondContact CG1-OG 3.32Å; V100-A105 HydrophobicContact CG1-CB 4.5Å | ||
| 101 | S | 72 | Confident | 68 | Low | 58 Ų | 58 | 109.3 Ų | 109.3 | 41% | 0.406 | 62% | 0.616 | S | S | . | * | trans | -56.8 | 140.2 | -175.2 | 75.9 | 0 | 0 | 0 | 0 | 108.8 | L99 I103 S104 A105 | L99-S101 PolarHBondContact O-N 2.93Å; L99-S101 VanDerWaalsContact O-N 3.15Å; S101-I103 PolarHBondContact O-N 3.08Å; S101-S104 PolarHBondContact N-OG 2.96Å; S101-S104 PolarHBondContact O-N 3.49Å; S101-S104 PolarHBondContact O-OG 2.81Å; S101-S104 PolarHBondContact OG-N 3.29Å; S101-S104 PolarHBondContact OG-OG 2.84Å; S101-S104 VanDerWaalsContact OG-OG 3.13Å; S101-A105 PolarHBondContact O-N 3.4Å; S101-A105 VanDerWaalsContact O-N 3.17Å | ||
| 102 | P | 71.4 | Confident | 69.7 | Low | 113 Ų | 113 | 109.9 Ų | 109.9 | 73% | 0.734 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -54.8 | -27.9 | -178.5 | 18.7 | -30.6 | 0 | 0 | 0 | 112.2 | F106 | P102-F106 WeakPolarHBondContact O-CB 3.33Å; P102-F106 PolarHBondContact O-N 3.06Å |
| 103 | I | 74.9 | Confident | 71.7 | Confident | 119 Ų | 119 | 107.5 Ų | 107.5 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.8 | -43.3 | 175.3 | -59.2 | 171.9 | 0 | 0 | 0 | 111.6 | S101 F106 L107 | S101-I103 PolarHBondContact O-N 3.08Å; I103-F106 WeakPolarHBondContact O-CB 3.49Å; I103-F106 PolarHBondContact O-N 3.21Å; I103-L107 HydrophobicContact CG2-CD1 4.15Å; I103-L107 HydrophobicContact CG2-CG 4.46Å; I103-L107 WeakPolarHBondContact O-CG 3.46Å; I103-L107 PolarHBondContact O-N 3.4Å |
| 104 | S | 74.8 | Confident | 73.3 | Confident | 39 Ų | 39 | 104.8 Ų | 104.8 | 27% | 0.273 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.6 | -33.5 | 178.5 | 60 | 0 | 0 | 0 | 0 | 113.2 | V100 S101 L107 T108 | V100-S104 WeakPolarHBondContact CG1-OG 3.32Å; S101-S104 PolarHBondContact N-OG 2.96Å; S101-S104 PolarHBondContact O-N 3.49Å; S101-S104 PolarHBondContact O-OG 2.81Å; S101-S104 PolarHBondContact OG-N 3.29Å; S101-S104 PolarHBondContact OG-OG 2.84Å; S101-S104 VanDerWaalsContact OG-OG 3.13Å; S104-L107 PolarHBondContact O-N 2.92Å; S104-T108 WeakPolarHBondContact O-CB 3.32Å; S104-T108 PolarHBondContact O-N 2.88Å; S104-T108 PolarHBondContact O-OG1 3.15Å |
| 105 | A | 78.4 | Confident | 75 | Confident | 52 Ų | 52 | 105.3 Ų | 105.3 | 43% | 0.43 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.2 | -44.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | V100 S101 T108 A109 | V100-A105 HydrophobicContact CG1-CB 4.5Å; S101-A105 PolarHBondContact O-N 3.4Å; S101-A105 VanDerWaalsContact O-N 3.17Å; A105-T108 PolarHBondContact O-N 3.38Å; A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 2.78Å |
| 106 | F | 81.2 | Confident | 76.5 | Confident | 140 Ų | 140 | 104.4 Ų | 104.4 | 61% | 0.614 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.8 | -46.2 | 174.7 | -175.9 | -98.7 | 0 | 0 | 0 | 112.2 | P102 I103 T108 A109 T110 | P102-F106 WeakPolarHBondContact O-CB 3.33Å; P102-F106 PolarHBondContact O-N 3.06Å; I103-F106 WeakPolarHBondContact O-CB 3.49Å; I103-F106 PolarHBondContact O-N 3.21Å; F106-T108 VanDerWaalsContact C-N 3.31Å; F106-T108 PolarHBondContact O-N 3.21Å; F106-A109 PolarHBondContact O-N 2.79Å; F106-T110 HydrophobicContact CD1-CG2 3.99Å; F106-T110 HydrophobicContact CE1-CG2 3.59Å; F106-T110 HydrophobicContact CE2-CG2 4.25Å; F106-T110 HydrophobicContact CG-CG2 4.47Å; F106-T110 HydrophobicContact CZ-CG2 3.74Å; F106-T110 WeakPolarHBondContact O-CG2 3.33Å; F106-T110 PolarHBondContact O-N 3.03Å; F106-T110 PolarHBondContact O-OG1 3.37Å |
| 107 | L | 83.1 | Confident | 77.6 | Confident | 104 Ų | 104 | 105.4 Ų | 105.4 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.5 | -35.1 | 177.6 | -72.5 | 173.1 | 0 | 0 | 0 | 113.2 | I103 S104 T110 R111 | I103-L107 HydrophobicContact CG2-CD1 4.15Å; I103-L107 HydrophobicContact CG2-CG 4.46Å; I103-L107 WeakPolarHBondContact O-CG 3.46Å; I103-L107 PolarHBondContact O-N 3.4Å; S104-L107 PolarHBondContact O-N 2.92Å; L107-T110 WeakPolarHBondContact CA-OG1 3.47Å; L107-T110 PolarHBondContact O-OG1 3.17Å; L107-R111 VanDerWaalsContact O-CB 3.26Å; L107-R111 WeakPolarHBondContact O-CB 3.1Å; L107-R111 PolarHBondContact O-N 2.91Å |
| 108 | T | 80.7 | Confident | 78.8 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 60% | 0.601 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.1 | -40.9 | 176.1 | -50.8 | 0 | 0 | 0 | 0 | 110.4 | S104 A105 F106 R111 W112 | S104-T108 WeakPolarHBondContact O-CB 3.32Å; S104-T108 PolarHBondContact O-N 2.88Å; S104-T108 PolarHBondContact O-OG1 3.15Å; A105-T108 PolarHBondContact O-N 3.38Å; F106-T108 VanDerWaalsContact C-N 3.31Å; F106-T108 PolarHBondContact O-N 3.21Å; T108-R111 PolarHBondContact O-N 2.68Å; T108-W112 WeakPolarHBondContact O-CB 3.31Å; T108-W112 PolarHBondContact O-N 3.38Å |
| 109 | A | 86.4 | Confident | 79.7 | Confident | 48 Ų | 48 | 99.6 Ų | 99.6 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A105 F106 W112 L113 | A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 2.78Å; F106-A109 PolarHBondContact O-N 2.79Å; A109-W112 PolarHBondContact O-N 3.02Å; A109-L113 WeakPolarHBondContact O-CB 3.26Å; A109-L113 PolarHBondContact O-N 2.88Å |
| 110 | T | 80.1 | Confident | 80.5 | Confident | 44 Ų | 44 | 96.2 Ų | 96.2 | 27% | 0.27 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 175.9 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | F106 L107 L113 L114 | F106-T110 HydrophobicContact CD1-CG2 3.99Å; F106-T110 HydrophobicContact CE1-CG2 3.59Å; F106-T110 HydrophobicContact CE2-CG2 4.25Å; F106-T110 HydrophobicContact CG-CG2 4.47Å; F106-T110 HydrophobicContact CZ-CG2 3.74Å; F106-T110 WeakPolarHBondContact O-CG2 3.33Å; F106-T110 PolarHBondContact O-N 3.03Å; F106-T110 PolarHBondContact O-OG1 3.37Å; L107-T110 WeakPolarHBondContact CA-OG1 3.47Å; L107-T110 PolarHBondContact O-OG1 3.17Å; T110-L113 PolarHBondContact O-N 3.48Å; T110-L114 WeakPolarHBondContact O-CB 3.35Å; T110-L114 WeakPolarHBondContact O-CG 3.36Å; T110-L114 PolarHBondContact O-N 3.5Å |
| 111 | R | 85.5 | Confident | 80.9 | Confident | 183 Ų | 183 | 96.4 Ų | 96.4 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 173.3 | -175.4 | 176.7 | 178.8 | 168.5 | 1.1 | 111.7 | L107 T108 L114 Q115 | L107-R111 VanDerWaalsContact O-CB 3.26Å; L107-R111 WeakPolarHBondContact O-CB 3.1Å; L107-R111 PolarHBondContact O-N 2.91Å; T108-R111 PolarHBondContact O-N 2.68Å; R111-L114 PolarHBondContact O-N 2.97Å; R111-Q115 WeakPolarHBondContact O-CB 3.33Å; R111-Q115 PolarHBondContact O-N 3.43Å |
| 112 | W | 89.3 | Confident | 80.9 | Confident | 152 Ų | 152 | 98.2 Ų | 98.2 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -48.4 | 173.3 | 173.4 | 71.8 | 0 | 0 | 0 | 111.2 | T108 A109 L114 Q115 E116 | T108-W112 WeakPolarHBondContact O-CB 3.31Å; T108-W112 PolarHBondContact O-N 3.38Å; A109-W112 PolarHBondContact O-N 3.02Å; W112-L114 VanDerWaalsContact C-N 3.33Å; W112-L114 PolarHBondContact O-N 3.43Å; W112-Q115 WeakPolarHBondContact O-CA 3.39Å; W112-Q115 WeakPolarHBondContact O-CB 3.48Å; W112-Q115 PolarHBondContact O-N 2.95Å; W112-E116 HydrophobicContact CD2-CG 4.09Å; W112-E116 HydrophobicContact CG-CG 4.5Å; W112-E116 HydrophobicContact CH2-CG 4.35Å; W112-E116 HydrophobicContact CZ2-CG 3.68Å; W112-E116 PolarHBondContact NE1-OE1 2.03Å; W112-E116 WeakPolarHBondContact O-CG 3.29Å; W112-E116 PolarHBondContact O-N 2.02Å |
| 113 | L | 89.8 | Confident | 80.8 | Confident | 108 Ų | 108 | 98.5 Ų | 98.5 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58 | -42.1 | 176.5 | -107.5 | 158.1 | 0 | 0 | 0 | 112.9 | A109 T110 Q115 L117 | A109-L113 WeakPolarHBondContact O-CB 3.26Å; A109-L113 PolarHBondContact O-N 2.88Å; T110-L113 PolarHBondContact O-N 3.48Å; L113-Q115 VanDerWaalsContact C-N 3.31Å; L113-L117 VanDerWaalsContact O-CB 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 PolarHBondContact O-N 2.86Å |
| 114 | L | 85.8 | Confident | 80.2 | Confident | 109 Ų | 109 | 101.5 Ų | 101.5 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -38.3 | 174.6 | -81.1 | 161.5 | 0 | 0 | 0 | 111.5 | T110 R111 W112 L117 V118 | T110-L114 WeakPolarHBondContact O-CB 3.35Å; T110-L114 WeakPolarHBondContact O-CG 3.36Å; T110-L114 PolarHBondContact O-N 3.5Å; R111-L114 PolarHBondContact O-N 2.97Å; W112-L114 VanDerWaalsContact C-N 3.33Å; W112-L114 PolarHBondContact O-N 3.43Å; L114-L117 PolarHBondContact O-N 3.11Å; L114-V118 WeakPolarHBondContact O-CB 3.43Å; L114-V118 VanDerWaalsContact O-CG2 3.26Å; L114-V118 WeakPolarHBondContact O-CG2 3.37Å; L114-V118 PolarHBondContact O-N 3.28Å |
| 115 | Q | 85.4 | Confident | 79.5 | Confident | 114 Ų | 114 | 103.7 Ų | 103.7 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 178.6 | -168.6 | 148.8 | -5.1 | 0 | 0 | 111.9 | R111 W112 L113 L117 V118 L119 | R111-Q115 WeakPolarHBondContact O-CB 3.33Å; R111-Q115 PolarHBondContact O-N 3.43Å; W112-Q115 WeakPolarHBondContact O-CA 3.39Å; W112-Q115 WeakPolarHBondContact O-CB 3.48Å; W112-Q115 PolarHBondContact O-N 2.95Å; L113-Q115 VanDerWaalsContact C-N 3.31Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; Q115-V118 PolarHBondContact O-N 2.61Å; Q115-L119 WeakPolarHBondContact O-CG 3.42Å; Q115-L119 PolarHBondContact O-N 3.17Å |
| 116 | E | 85.4 | Confident | 78.3 | Confident | 84 Ų | 84 | 106 Ų | 106 | 39% | 0.393 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 171.7 | -65.2 | -58.4 | 159.7 | 0 | 0 | 111.8 | W112 L119 F120 | W112-E116 HydrophobicContact CD2-CG 4.09Å; W112-E116 HydrophobicContact CG-CG 4.5Å; W112-E116 HydrophobicContact CH2-CG 4.35Å; W112-E116 HydrophobicContact CZ2-CG 3.68Å; W112-E116 PolarHBondContact NE1-OE1 2.03Å; W112-E116 WeakPolarHBondContact O-CG 3.29Å; W112-E116 PolarHBondContact O-N 2.02Å; E116-L119 PolarHBondContact O-N 3.42Å; E116-F120 WeakPolarHBondContact O-CB 3.02Å; E116-F120 PolarHBondContact O-N 3.09Å |
| 117 | L | 82 | Confident | 76.8 | Confident | 95 Ų | 95 | 108.8 Ų | 108.8 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 174.7 | -172.1 | 100.5 | 0 | 0 | 0 | 111.4 | L113 L114 Q115 F120 L121 | L113-L117 VanDerWaalsContact O-CB 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 PolarHBondContact O-N 2.86Å; L114-L117 PolarHBondContact O-N 3.11Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; L117-F120 PolarHBondContact O-N 2.97Å; L117-L121 HydrophobicContact CD2-CD1 4.18Å; L117-L121 HydrophobicContact CG-CD1 4.26Å; L117-L121 WeakPolarHBondContact O-CB 3.07Å; L117-L121 VanDerWaalsContact O-CG 3.23Å; L117-L121 WeakPolarHBondContact O-CG 3.47Å; L117-L121 PolarHBondContact O-N 2.87Å |
| 118 | V | 82.2 | Confident | 75.3 | Confident | 80 Ų | 80 | 107.2 Ų | 107.2 | 49% | 0.485 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176.1 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | L114 Q115 L121 L122 | L114-V118 WeakPolarHBondContact O-CB 3.43Å; L114-V118 VanDerWaalsContact O-CG2 3.26Å; L114-V118 WeakPolarHBondContact O-CG2 3.37Å; L114-V118 PolarHBondContact O-N 3.28Å; Q115-V118 PolarHBondContact O-N 2.61Å; V118-L121 PolarHBondContact O-N 3.09Å; V118-L122 HydrophobicContact CG1-CD1 3.98Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 WeakPolarHBondContact O-CG 3.38Å; V118-L122 PolarHBondContact O-N 3.47Å |
| 119 | L | 80.1 | Confident | 73.8 | Confident | 78 Ų | 78 | 106 Ų | 106 | 41% | 0.408 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 174 | -71.6 | 172.8 | 0 | 0 | 0 | 111.5 | Q115 E116 L121 L122 E123 | Q115-L119 WeakPolarHBondContact O-CG 3.42Å; Q115-L119 PolarHBondContact O-N 3.17Å; E116-L119 PolarHBondContact O-N 3.42Å; L119-L121 PolarHBondContact O-N 3.3Å; L119-L122 CarbonylContact O-C 3.54Å; L119-L122 WeakPolarHBondContact O-CB 3.41Å; L119-L122 PolarHBondContact O-N 3.13Å; L119-E123 WeakPolarHBondContact O-CB 3.06Å; L119-E123 WeakPolarHBondContact O-CG 3.41Å; L119-E123 PolarHBondContact O-N 2.85Å |
| 120 | F | 78.2 | Confident | 71.6 | Confident | 106 Ų | 106 | 114.6 Ų | 114.6 | 47% | 0.465 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64 | -40.5 | 176.3 | -179.4 | -97.6 | 0 | 0 | 0 | 112.2 | E116 L117 E123 W124 | E116-F120 WeakPolarHBondContact O-CB 3.02Å; E116-F120 PolarHBondContact O-N 3.09Å; L117-F120 PolarHBondContact O-N 2.97Å; F120-E123 PolarHBondContact O-N 3.3Å; F120-W124 AromaticContact CE1-CE3 3.87Å; F120-W124 HydrophobicContact CE1-CE3 3.87Å; F120-W124 HydrophobicContact CE1-CZ3 4.44Å; F120-W124 HydrophobicContact CE2-CE3 4.32Å; F120-W124 AromaticContact CZ-CE3 3.53Å; F120-W124 HydrophobicContact CZ-CE3 3.53Å; F120-W124 AromaticContact CZ-CZ3 3.86Å; F120-W124 HydrophobicContact CZ-CZ3 3.86Å; F120-W124 WeakPolarHBondContact O-CB 3.09Å; F120-W124 PolarHBondContact O-N 2.88Å |
| 121 | L | 72.8 | Confident | 69.5 | Low | 101 Ų | 101 | 123 Ų | 123 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.8 | -36.2 | 175 | -72.2 | 170.5 | 0 | 0 | 0 | 111.8 | L117 V118 L119 S125 | L117-L121 HydrophobicContact CD2-CD1 4.18Å; L117-L121 HydrophobicContact CG-CD1 4.26Å; L117-L121 WeakPolarHBondContact O-CB 3.07Å; L117-L121 VanDerWaalsContact O-CG 3.23Å; L117-L121 WeakPolarHBondContact O-CG 3.47Å; L117-L121 PolarHBondContact O-N 2.87Å; V118-L121 PolarHBondContact O-N 3.09Å; L119-L121 PolarHBondContact O-N 3.3Å; L121-S125 WeakPolarHBondContact O-CB 3.25Å; L121-S125 PolarHBondContact O-N 2.89Å |
| 122 | L | 72.1 | Confident | 67.3 | Low | 95 Ų | 95 | 120.3 Ų | 120.3 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.8 | -48 | 171.5 | -80 | 163.6 | 0 | 0 | 0 | 110.9 | V118 L119 W124 S125 V126 | V118-L122 HydrophobicContact CG1-CD1 3.98Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 WeakPolarHBondContact O-CG 3.38Å; V118-L122 PolarHBondContact O-N 3.47Å; L119-L122 CarbonylContact O-C 3.54Å; L119-L122 WeakPolarHBondContact O-CB 3.41Å; L119-L122 PolarHBondContact O-N 3.13Å; L122-W124 PolarHBondContact O-N 3.4Å; L122-S125 PolarHBondContact O-N 3.49Å; L122-S125 PolarHBondContact O-OG 2.01Å; L122-V126 WeakPolarHBondContact O-CB 3.38Å; L122-V126 WeakPolarHBondContact O-CG2 3.34Å; L122-V126 PolarHBondContact O-N 2.92Å |
| 123 | E | 69.8 | Low | 64.9 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.6 | -43.5 | 175.2 | -77.4 | -178.9 | 171.2 | 0 | 0 | 111.1 | L119 F120 S125 V126 W127 | L119-E123 WeakPolarHBondContact O-CB 3.06Å; L119-E123 WeakPolarHBondContact O-CG 3.41Å; L119-E123 PolarHBondContact O-N 2.85Å; F120-E123 PolarHBondContact O-N 3.3Å; E123-S125 VanDerWaalsContact C-N 3.31Å; E123-S125 PolarHBondContact O-N 3.13Å; E123-V126 CarbonylContact O-C 3.44Å; E123-V126 PolarHBondContact O-N 3.42Å; E123-W127 VanDerWaalsContact O-CB 3.3Å; E123-W127 WeakPolarHBondContact O-CB 3.42Å; E123-W127 PolarHBondContact O-N 2.86Å |
| 124 | W | 61.8 | Low | 62.9 | Low | 182 Ų | 182 | 122.7 Ų | 122.7 | 69% | 0.689 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.9 | -34.3 | 175.6 | -166.4 | -75.3 | 0 | 0 | 0 | 112.3 | F120 L122 V126 | F120-W124 AromaticContact CE1-CE3 3.87Å; F120-W124 HydrophobicContact CE1-CE3 3.87Å; F120-W124 HydrophobicContact CE1-CZ3 4.44Å; F120-W124 HydrophobicContact CE2-CE3 4.32Å; F120-W124 AromaticContact CZ-CE3 3.53Å; F120-W124 HydrophobicContact CZ-CE3 3.53Å; F120-W124 AromaticContact CZ-CZ3 3.86Å; F120-W124 HydrophobicContact CZ-CZ3 3.86Å; F120-W124 WeakPolarHBondContact O-CB 3.09Å; F120-W124 PolarHBondContact O-N 2.88Å; L122-W124 PolarHBondContact O-N 3.4Å; W124-V126 VanDerWaalsContact C-N 3.29Å |
| 125 | S | 58.8 | Low | 60.6 | Low | 86 Ų | 86 | 122.4 Ų | 122.4 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.4 | -26.7 | 172.9 | 78.6 | 0 | 0 | 0 | 0 | 112.9 | L121 L122 E123 | L121-S125 WeakPolarHBondContact O-CB 3.25Å; L121-S125 PolarHBondContact O-N 2.89Å; L122-S125 PolarHBondContact O-N 3.49Å; L122-S125 PolarHBondContact O-OG 2.01Å; E123-S125 VanDerWaalsContact C-N 3.31Å; E123-S125 PolarHBondContact O-N 3.13Å |
| 126 | V | 54.8 | Low | 58.5 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -94.9 | -18.3 | -179 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | L122 E123 W124 G128 S129 | L122-V126 WeakPolarHBondContact O-CB 3.38Å; L122-V126 WeakPolarHBondContact O-CG2 3.34Å; L122-V126 PolarHBondContact O-N 2.92Å; E123-V126 CarbonylContact O-C 3.44Å; E123-V126 PolarHBondContact O-N 3.42Å; W124-V126 VanDerWaalsContact C-N 3.29Å; V126-G128 PolarHBondContact O-N 2.92Å; V126-S129 PolarHBondContact O-N 3.09Å |
| 127 | W | 48.5 | Very low | 56.3 | Low | 199 Ų | 199 | 126.4 Ų | 126.4 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 32.4 | 176.1 | -145.2 | -87.5 | 0 | 0 | 0 | 113.5 | E123 S129 | E123-W127 VanDerWaalsContact O-CB 3.3Å; E123-W127 WeakPolarHBondContact O-CB 3.42Å; E123-W127 PolarHBondContact O-N 2.86Å; W127-S129 VanDerWaalsContact C-N 3.28Å |
| 128 | G | 51.8 | Low | 54.4 | Low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -4.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V126 | V126-G128 PolarHBondContact O-N 2.92Š|
| 129 | S | 48.8 | Very low | 52.7 | Low | 74 Ų | 74 | 131.1 Ų | 131.1 | 52% | 0.517 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -158.2 | 112.2 | -167.9 | -122.7 | 0 | 0 | 0 | 0 | 114.5 | V126 W127 | V126-S129 PolarHBondContact O-N 3.09Å; W127-S129 VanDerWaalsContact C-N 3.28Å |
| 130 | W | 40.2 | Very low | 50.9 | Low | 228 Ų | 228 | 133.2 Ų | 133.2 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | 96.1 | 116 | 153.3 | -51.1 | 92.4 | 0 | 0 | 0 | 119.2 | ||||
| 131 | Y | 37 | Very low | 49.3 | Very low | 220 Ų | 220 | 136.5 Ų | 136.5 | 86% | 0.863 | 72% | 0.716 | S | S | * | * | trans | -60.2 | 141.1 | 166.8 | -90.7 | -106.9 | 0 | 0 | 0 | 113.6 | ||||
| 132 | D | 38.6 | Very low | 48 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | trans | 56.6 | 115.4 | 133.9 | -157.9 | 32.2 | 0 | 0 | 0 | 120.2 | ||||
| 133 | R | 39.6 | Very low | 46.7 | Very low | 233 Ų | 233 | 144.3 Ų | 144.3 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | -176.1 | 123.7 | 107 | -100.9 | 178.3 | -116.2 | -154.2 | -2.4 | 112.3 | |||||
| 134 | G | 46.4 | Very low | 45.7 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -70.5 | 153.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 135 | A | 38.5 | Very low | 45.3 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -140.4 | 106 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 136 | E | 40.3 | Very low | 44.8 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -77.7 | 118.3 | 166 | -81.7 | -159.6 | 151.6 | 0 | 0 | 109.3 | ||||
| 137 | A | 40.8 | Very low | 45 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -96.1 | 107.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 138 | K | 40.5 | Very low | 45.3 | Very low | 184 Ų | 184 | 152 Ų | 152 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -80.9 | 114.5 | 169.3 | -84.8 | -178.9 | 176.3 | 173.4 | 0 | 110 | V140 | K138-V140 PolarHBondContact O-N 2.74Š| ||
| 139 | S | 48.2 | Very low | 45.7 | Very low | 91 Ų | 91 | 158.4 Ų | 158.4 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -80 | 113.5 | 167 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | F141 | S139-F141 PolarHBondContact O-N 2.81Š| ||
| 140 | V | 40.5 | Very low | 46.6 | Very low | 121 Ų | 121 | 163.2 Ų | 163.2 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | -81.9 | 101.5 | 170.7 | 177.4 | 0 | 0 | 0 | 0 | 107.7 | K138 H142 | K138-V140 PolarHBondContact O-N 2.74Å; V140-H142 PolarHBondContact O-N 3.08Å | ||
| 141 | F | 45.2 | Very low | 48.3 | Very low | 176 Ų | 176 | 157.2 Ų | 157.2 | 77% | 0.772 | 80% | 0.795 | S | S | * | * | trans | -77 | 114 | 169.4 | -79.1 | -88.8 | 0 | 0 | 0 | 109.3 | S139 H143 | S139-F141 PolarHBondContact O-N 2.81Å; F141-H143 PolarHBondContact O-N 3.38Å | ||
| 142 | H | 45.4 | Very low | 50.5 | Low | 174 Ų | 174 | 151.4 Ų | 151.4 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -61.1 | 128.2 | 168.9 | -76.6 | -86.1 | 0 | 0 | 0 | 109.8 | V140 S144 | V140-H142 PolarHBondContact O-N 3.08Å; H142-S144 PolarHBondContact O-N 3.42Å; H142-S144 VanDerWaalsContact O-N 3.12Å | ||
| 143 | H | 45.9 | Very low | 52.9 | Low | 185 Ų | 185 | 149.9 Ų | 149.9 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -55.4 | 115.2 | 177 | -72.7 | -71.6 | 0 | 0 | 0 | 111 | F141 H145 | F141-H143 PolarHBondContact O-N 3.38Å; H143-H145 PolarHBondContact O-N 3.12Å | ||
| 144 | S | 47.9 | Very low | 55.3 | Low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -64.9 | 125.4 | 174 | -176 | 0 | 0 | 0 | 0 | 110.2 | H142 K146 | H142-S144 PolarHBondContact O-N 3.42Å; H142-S144 VanDerWaalsContact O-N 3.12Å; S144-K146 PolarHBondContact O-N 3.5Å | ||
| 145 | H | 52.8 | Low | 57.5 | Low | 163 Ų | 163 | 144.3 Ų | 144.3 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -58.7 | 125.5 | 174.1 | -75.2 | -87.7 | 0 | 0 | 0 | 109.8 | H143 H147 | H143-H145 PolarHBondContact O-N 3.12Å; H145-H147 VanDerWaalsContact C-N 3.26Å; H145-H147 PolarHBondContact O-CD2 3.47Å; H145-H147 PolarHBondContact O-N 3.32Å | ||
| 146 | K | 49.6 | Very low | 60.1 | Low | 213 Ų | 213 | 139.9 Ų | 139.9 | 93% | 0.926 | 71% | 0.71 | S | S | * | * | trans | -68.7 | 81.7 | 178.2 | -156.9 | 178.7 | -170.5 | 179.9 | 0 | 109.1 | S144 K148 | S144-K146 PolarHBondContact O-N 3.5Å; K146-K148 PolarHBondContact O-N 3.16Å; K146-K148 VanDerWaalsContact O-N 3.17Å | ||
| 147 | H | 57.8 | Low | 62.6 | Low | 162 Ų | 162 | 133.5 Ų | 133.5 | 75% | 0.75 | 68% | 0.682 | S | S | * | * | trans | -58.8 | 119.7 | 170.5 | -78.7 | -83 | 0 | 0 | 0 | 108.5 | H145 K149 | H145-H147 VanDerWaalsContact C-N 3.26Å; H145-H147 PolarHBondContact O-CD2 3.47Å; H145-H147 PolarHBondContact O-N 3.32Å; H147-K149 PolarHBondContact O-N 3.38Å; H147-K149 VanDerWaalsContact O-N 3.08Å | ||
| 148 | K | 54.7 | Low | 65.1 | Low | 192 Ų | 192 | 129.3 Ų | 129.3 | 84% | 0.835 | 65% | 0.646 | S | S | * | * | trans | -54 | 116 | 168.7 | -159 | 175.5 | -174.6 | -179 | 0 | 105.8 | K146 Q150 | K146-K148 PolarHBondContact O-N 3.16Å; K146-K148 VanDerWaalsContact O-N 3.17Å; K148-Q150 PolarHBondContact O-N 3.25Å | ||
| 149 | K | 61.5 | Low | 67.7 | Low | 207 Ų | 207 | 123.4 Ų | 123.4 | 90% | 0.9 | 62% | 0.622 | S | S | * | * | trans | -58.8 | 90 | 175.4 | -86.8 | -176.7 | 173.6 | -177.3 | 0 | 107.8 | H147 | H147-K149 PolarHBondContact O-N 3.38Å; H147-K149 VanDerWaalsContact O-N 3.08Å | ||
| 150 | Q | 67.7 | Low | 69.9 | Low | 175 Ų | 175 | 122.5 Ų | 122.5 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.9 | 158.3 | -76 | -179.8 | -20.5 | 0 | 0 | 105.8 | K148 | K148-Q150 PolarHBondContact O-N 3.25Š|
| 151 | D | 74.6 | Confident | 72.6 | Confident | 102 Ų | 102 | 118 Ų | 118 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -54 | 127.1 | 173.9 | -62.4 | -34.5 | 0 | 0 | 0 | 107.7 | K87 L153 | K87-D151 IonicContact NZ-OD2 3.88Å; D151-L153 PolarHBondContact O-N 3Å; D151-L153 VanDerWaalsContact O-N 3.09Å |
| 152 | P | 84.3 | Confident | 74.9 | Confident | 97 Ų | 97 | 110.8 Ų | 110.8 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 118.8 | -179.9 | 25.7 | -32.6 | 0 | 0 | 0 | 107.9 | P88 | P88-P152 WeakPolarHBondContact CD-O 3.36Å; P88-P152 HydrophobicContact CG-CG 4.35Å; P88-P152 WeakPolarHBondContact CG-O 3.17Å |
| 153 | L | 88.9 | Confident | 77.3 | Confident | 94 Ų | 94 | 102.6 Ų | 102.6 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 141.2 | 171.6 | -66.7 | 173.4 | 0 | 0 | 0 | 109.1 | M85 K87 D151 | M85-L153 HydrophobicContact CB-CB 4.25Å; M85-L153 HydrophobicContact CB-CD1 4.41Å; M85-L153 HydrophobicContact CE-CB 4.06Å; K87-L153 HydrophobicContact CG-CD2 3.69Å; D151-L153 PolarHBondContact O-N 3Å; D151-L153 VanDerWaalsContact O-N 3.09Å |
| 154 | Q | 90.3 | Very high | 79.7 | Confident | 82 Ų | 82 | 96.4 Ų | 96.4 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.5 | 176.6 | 68 | -179.1 | 15 | 0 | 0 | 111 | M85 C86 P88 C156 | M85-Q154 CarbonylContact C-O 3.58Å; M85-Q154 WeakPolarHBondContact CA-O 3.45Å; C86-Q154 PolarHBondContact N-O 2.82Å; C86-Q154 PolarHBondContact O-N 3.13Å; P88-Q154 HydrophobicContact CB-CG 4.4Å; Q154-C156 PolarHBondContact O-N 3.42Å |
| 155 | P | 93.2 | Very high | 81.9 | Confident | 112 Ų | 112 | 91.5 Ų | 91.5 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 133.5 | 170.1 | -21.8 | 33.1 | 0 | 0 | 0 | 110.7 | A84 | A84-P155 WeakPolarHBondContact O-CA 3.13Å |
| 156 | C | 91.8 | Very high | 83.9 | Confident | 10 Ų | 10 | 87.4 Ų | 87.4 | 7% | 0.068 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 162.8 | 179.1 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | A84 C86 Q154 E218 | A84-C156 PolarHBondContact N-O 3.22Å; A84-C156 PolarHBondContact O-N 2.85Å; C86-C156 VanDerWaalsContact CA-SG 3.55Å; C86-C156 HydrophobicContact CB-CB 3.56Å; C86-C156 WeakPolarHBondContact CB-SG 3.17Å; C86-C156 PolarHBondContact N-SG 3.29Å; C86-C156 WeakPolarHBondContact SG-CB 3.41Å; C86-C156 CovalentContact SG-SG 2.01Å; C86-C156 PolarHBondContact SG-SG 3.14Å; Q154-C156 PolarHBondContact O-N 3.42Å; C156-E218 HydrophobicContact CB-CG 4.32Å |
| 157 | D | 93.1 | Very high | 85.7 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.2 | 170.6 | -62.2 | -15.2 | 0 | 0 | 0 | 108.2 | D81 Y82 V219 Y221 | D81-D157 CarbonylContact O-C 3.6Å; D81-D157 WeakPolarHBondContact O-CA 3.4Å; Y82-D157 WeakPolarHBondContact CA-OD1 2.94Å; Y82-D157 HydrophobicContact CD1-CB 4.21Å; Y82-D157 VanDerWaalsContact CD1-CG 3.47Å; Y82-D157 WeakPolarHBondContact CD1-OD2 3.44Å; D157-V219 HydrophobicContact CB-CB 4.49Å; D157-V219 PolarHBondContact O-N 3.16Å; D157-Y221 HydrophobicContact CB-CE2 3.8Å; D157-Y221 WeakPolarHBondContact CB-OH 3.39Å; D157-Y221 WeakPolarHBondContact OD2-CE2 3.44Å; D157-Y221 PolarHBondContact OD2-OH 3.42Å; D157-Y221 VanDerWaalsContact OD2-OH 3.13Å |
| 158 | T | 94.3 | Very high | 87.3 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 8% | 0.08 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150.1 | 175.1 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | Y80 D81 A84 T217 | Y80-T158 CarbonylContact C-O 3.5Å; Y80-T158 WeakPolarHBondContact CA-O 3.13Å; D81-T158 PolarHBondContact N-O 3.43Å; D81-T158 PolarHBondContact O-N 3.03Å; A84-T158 HydrophobicContact CB-CG2 3.62Å; A84-T158 WeakPolarHBondContact CB-OG1 3.04Å; T158-T217 CarbonylContact C-O 3.6Å; T158-T217 WeakPolarHBondContact CA-O 3.44Å; T158-T217 WeakPolarHBondContact CB-O 3.34Å |
| 159 | E | 94.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.7 | 168.1 | 70.5 | -173.4 | -177.3 | 0 | 0 | 110.1 | M79 Y80 A216 T217 V219 | M79-E159 CarbonylContact O-C 3.57Å; M79-E159 VanDerWaalsContact O-CA 3.25Å; M79-E159 WeakPolarHBondContact O-CA 3.25Å; Y80-E159 HydrophobicContact CD1-CB 3.8Å; Y80-E159 HydrophobicContact CE1-CB 3.63Å; Y80-E159 HydrophobicContact CE1-CG 4.45Å; Y80-E159 WeakPolarHBondContact CE1-OE2 3.25Å; Y80-E159 VanDerWaalsContact CZ-OE2 3.27Å; Y80-E159 PolarHBondContact OH-OE2 3.42Å; E159-A216 WeakPolarHBondContact O-CA 3.42Å; E159-T217 PolarHBondContact N-O 2.72Å; E159-T217 PolarHBondContact O-N 3.18Å; E159-T217 PolarHBondContact O-OG1 3.4Å; E159-V219 HydrophobicContact CB-CG2 3.62Å; E159-V219 HydrophobicContact CG-CG2 3.71Å |
| 160 | Y | 94.7 | Very high | 90.3 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 28% | 0.282 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 143.3 | 174.6 | 57.6 | -83.2 | 0 | 0 | 0 | 110.3 | M79 D81 V162 | M79-Y160 HydrophobicContact CB-CD1 4.45Å; M79-Y160 HydrophobicContact CB-CD2 4.24Å; M79-Y160 HydrophobicContact CB-CE1 4.02Å; M79-Y160 HydrophobicContact CB-CE2 3.79Å; M79-Y160 HydrophobicContact CG-CE2 4.41Å; M79-Y160 PolarHBondContact N-O 3.2Å; M79-Y160 PolarHBondContact O-N 3.29Å; D81-Y160 HydrophobicContact CB-CE1 4.38Å; Y160-V162 HydrophobicContact CD2-CG2 3.54Å; Y160-V162 HydrophobicContact CE2-CG2 3.33Å |
| 161 | P | 95.5 | Very high | 91.5 | Very high | 25 Ų | 25 | 68.2 Ų | 68.2 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 132 | 176 | 31.8 | -33.3 | 0 | 0 | 0 | 110.3 | Q76 F163 L213 | Q76-P161 HydrophobicContact CG-CB 4.06Å; P161-F163 HydrophobicContact CB-CE2 4.32Å; P161-F163 HydrophobicContact CB-CZ 4.28Å; P161-L213 WeakPolarHBondContact CG-O 3.42Å |
| 162 | V | 95.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 144.5 | 171.3 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | V77 M79 Y160 | V77-V162 PolarHBondContact N-O 3.27Å; V77-V162 PolarHBondContact O-N 3.07Å; M79-V162 HydrophobicContact CB-CG2 4.01Å; M79-V162 HydrophobicContact CG-CB 4.11Å; M79-V162 HydrophobicContact CG-CG2 3.55Å; Y160-V162 HydrophobicContact CD2-CG2 3.54Å; Y160-V162 HydrophobicContact CE2-CG2 3.33Å |
| 163 | F | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.6 | -178 | -60.7 | -83.2 | 0 | 0 | 0 | 110.4 | N41 F56 L69 F74 S75 Q76 P161 V212 Q214 | N41-F163 WeakPolarHBondContact CA-O 3.3Å; N41-F163 PolarHBondContact ND2-O 2.93Å; F56-F163 AromaticContact CE1-CD2 3.79Å; F56-F163 HydrophobicContact CE1-CD2 3.79Å; F56-F163 AromaticContact CE1-CE2 3.66Å; F56-F163 HydrophobicContact CE1-CE2 3.66Å; F56-F163 HydrophobicContact CE1-CZ 4.46Å; F56-F163 HydrophobicContact CE2-CB 4.34Å; F56-F163 AromaticContact CE2-CD2 3.8Å; F56-F163 HydrophobicContact CE2-CD2 3.8Å; F56-F163 HydrophobicContact CE2-CG 4.27Å; F56-F163 HydrophobicContact CZ-CB 4.23Å; F56-F163 AromaticContact CZ-CD2 3.11Å; F56-F163 HydrophobicContact CZ-CD2 3.11Å; F56-F163 AromaticContact CZ-CE2 3.48Å; F56-F163 HydrophobicContact CZ-CE2 3.48Å; F56-F163 VanDerWaalsContact CZ-CE2 3.48Å; F56-F163 AromaticContact CZ-CG 3.69Å; F56-F163 HydrophobicContact CZ-CG 3.69Å; F56-F163 HydrophobicContact CZ-CZ 4.33Å; L69-F163 HydrophobicContact CD1-CD1 4.44Å; L69-F163 HydrophobicContact CD1-CE1 3.81Å; L69-F163 HydrophobicContact CD2-CD1 3.84Å; L69-F163 HydrophobicContact CD2-CE1 3.93Å; L69-F163 HydrophobicContact CG-CE1 4.44Å; F74-F163 HydrophobicContact CD1-CB 4.25Å; S75-F163 WeakPolarHBondContact O-CA 3.18Å; Q76-F163 HydrophobicContact CB-CD1 4.19Å; Q76-F163 HydrophobicContact CB-CE1 3.88Å; Q76-F163 HydrophobicContact CG-CD1 4.47Å; Q76-F163 HydrophobicContact CG-CE1 3.88Å; Q76-F163 HydrophobicContact CG-CZ 4.3Å; P161-F163 HydrophobicContact CB-CE2 4.32Å; P161-F163 HydrophobicContact CB-CZ 4.28Å; F163-V212 HydrophobicContact CE1-CG1 4.21Å; F163-V212 HydrophobicContact CE2-CG1 4.02Å; F163-V212 HydrophobicContact CZ-CG1 3.41Å; F163-V212 VanDerWaalsContact CZ-CG1 3.41Å; F163-Q214 HydrophobicContact CD2-CG 4.07Å; F163-Q214 HydrophobicContact CE2-CG 3.93Å |
| 164 | V | 95.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.4 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | S75 | S75-V164 PolarHBondContact N-O 3.13Å; S75-V164 PolarHBondContact O-N 3.14Å; S75-V164 PolarHBondContact OG-O 2.94Å |
| 165 | Y | 95.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 137.8 | 173.5 | 168 | -112.8 | 0 | 0 | 0 | 111.5 | N40 V73 P167 I169 L196 | N40-Y165 WeakPolarHBondContact O-CB 3.38Å; N40-Y165 PolarHBondContact O-N 3.05Å; V73-Y165 HydrophobicContact CG1-CD2 3.9Å; V73-Y165 HydrophobicContact CG1-CE2 3.88Å; V73-Y165 VanDerWaalsContact O-CD2 3.31Å; V73-Y165 WeakPolarHBondContact O-CD2 3.49Å; Y165-P167 HydrophobicContact CE1-CB 4.47Å; Y165-P167 WeakPolarHBondContact O-CD 3.36Å; Y165-I169 WeakPolarHBondContact CE2-O 3.08Å; Y165-I169 PolarHBondContact OH-O 3.49Å; Y165-L196 HydrophobicContact CD1-CD1 4.25Å; Y165-L196 HydrophobicContact CD1-CD2 4.24Å; Y165-L196 HydrophobicContact CD2-CD1 3.69Å; Y165-L196 HydrophobicContact CD2-CD2 3.94Å; Y165-L196 HydrophobicContact CD2-CG 4.43Å; Y165-L196 HydrophobicContact CE1-CD2 3.87Å; Y165-L196 HydrophobicContact CE2-CD1 4.2Å; Y165-L196 HydrophobicContact CE2-CD2 3.55Å; Y165-L196 HydrophobicContact CE2-CG 4.5Å; Y165-L196 HydrophobicContact CG-CD1 3.73Å; Y165-L196 HydrophobicContact CG-CD2 4.27Å; Y165-L196 HydrophobicContact CG-CG 4.46Å |
| 166 | Q | 94.3 | Very high | 93.4 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | trans | -93.6 | 112.7 | 176.5 | -64.8 | -173.8 | 13.2 | 0 | 0 | 111.1 | G72 V73 A168 I169 | G72-Q166 PolarHBondContact O-NE2 3.39Å; G72-Q166 PolarHBondContact O-OE1 3.49Å; V73-Q166 PolarHBondContact O-N 3.38Å; Q166-A168 PolarHBondContact O-N 3.22Å; Q166-I169 PolarHBondContact O-N 2.93Å | ||
| 167 | P | 87.9 | Confident | 93.5 | Very high | 93 Ų | 93 | 62.7 Ų | 62.7 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -8.6 | -176.2 | -20.1 | 32.4 | 0 | 0 | 0 | 115.2 | Y165 I169 | Y165-P167 HydrophobicContact CE1-CB 4.47Å; Y165-P167 WeakPolarHBondContact O-CD 3.36Å; P167-I169 PolarHBondContact O-N 3.16Å |
| 168 | A | 90.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 60.6 Ų | 60.6 | 77% | 0.769 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -28 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q166 | Q166-A168 PolarHBondContact O-N 3.22Š|
| 169 | I | 89.7 | Confident | 93.1 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | trans | -107 | 92.8 | -176 | -56.3 | 167.3 | 0 | 0 | 0 | 109 | V73 Y165 Q166 P167 E171 A172 | V73-I169 HydrophobicContact CG2-CD1 4.32Å; V73-I169 HydrophobicContact CG2-CG2 4.13Å; Y165-I169 WeakPolarHBondContact CE2-O 3.08Å; Y165-I169 PolarHBondContact OH-O 3.49Å; Q166-I169 PolarHBondContact O-N 2.93Å; P167-I169 PolarHBondContact O-N 3.16Å; I169-E171 WeakPolarHBondContact CG2-O 2.83Å; I169-A172 HydrophobicContact CG2-CB 4.13Å | ||
| 170 | R | 90 | Very high | 92.7 | Very high | 183 Ų | 183 | 66.4 Ų | 66.4 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -70.8 | -33.8 | -177.5 | -66.3 | -173.9 | 177.8 | -178 | -0.1 | 113.6 | Q189 | R170-Q189 PolarHBondContact O-N 3.36Š|
| 171 | E | 93.4 | Very high | 92.6 | Very high | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.603 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 137.5 | -176.4 | -76.9 | 170 | -159.8 | 0 | 0 | 108.9 | I169 V187 Q188 | I169-E171 WeakPolarHBondContact CG2-O 2.83Å; E171-V187 WeakPolarHBondContact CA-O 3.24Å; E171-Q188 HydrophobicContact CG-CB 4.11Å; E171-Q188 HydrophobicContact CG-CG 3.7Å; E171-Q188 PolarHBondContact OE1-NE2 3.3Å |
| 172 | A | 94 | Very high | 92.5 | Very high | 6 Ų | 6 | 69.3 Ų | 69.3 | 5% | 0.05 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 133.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | M71 V73 I169 V187 | M71-A172 HydrophobicContact CE-CB 3.88Å; V73-A172 HydrophobicContact CG2-CB 3.61Å; I169-A172 HydrophobicContact CG2-CB 4.13Å; A172-V187 HydrophobicContact CB-CG1 4.19Å; A172-V187 PolarHBondContact N-O 3.41Å; A172-V187 PolarHBondContact O-N 3.48Å |
| 173 | N | 95.1 | Very high | 92.4 | Very high | 122 Ų | 122 | 68.9 Ų | 68.9 | 65% | 0.652 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 150.5 | 172.4 | 61.1 | -31 | 0 | 0 | 0 | 109.2 | M71 F185 V186 | M71-N173 WeakPolarHBondContact CE-O 3.44Å; N173-F185 WeakPolarHBondContact CA-O 3.33Å; N173-V186 HydrophobicContact CB-CG2 4.09Å |
| 174 | G | 93.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 72.1 Ų | 72.1 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F185 | G174-F185 VanDerWaalsContact C-CE1 3.46Å; G174-F185 PolarHBondContact N-O 3.32Å; G174-F185 WeakPolarHBondContact O-CD1 3.48Å; G174-F185 PolarHBondContact O-N 3.34Å |
| 175 | I | 94.1 | Very high | 92.3 | Very high | 87 Ų | 87 | 69.6 Ų | 69.6 | 45% | 0.446 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.8 | 176.1 | -49.2 | -178.1 | 0 | 0 | 0 | 106.5 | Q182 K183 V184 | I175-Q182 HydrophobicContact CG2-CB 3.67Å; I175-Q182 HydrophobicContact CG2-CG 4.06Å; I175-K183 CarbonylContact C-O 3.57Å; I175-K183 WeakPolarHBondContact CA-O 3.44Å; I175-V184 HydrophobicContact CG1-CG1 4.2Å; I175-V184 HydrophobicContact CG2-CG1 4.42Å |
| 176 | V | 93.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.018 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.5 | 173.8 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | A63 Q67 C178 Q182 K183 F185 F209 | A63-V176 HydrophobicContact CB-CG1 4.13Å; Q67-V176 HydrophobicContact CB-CG2 3.92Å; Q67-V176 HydrophobicContact CG-CG2 4.14Å; V176-C178 PolarHBondContact O-N 3.39Å; V176-Q182 WeakPolarHBondContact O-CA 3.11Å; V176-K183 HydrophobicContact CB-CB 4.41Å; V176-K183 PolarHBondContact N-O 3.02Å; V176-K183 PolarHBondContact O-N 3.5Å; V176-F185 HydrophobicContact CG2-CD1 3.8Å; V176-F185 HydrophobicContact CG2-CE1 3.66Å; V176-F209 HydrophobicContact CG1-CE2 3.8Å; V176-F209 HydrophobicContact CG1-CZ 3.98Å |
| 177 | E | 93.3 | Very high | 92.3 | Very high | 146 Ų | 146 | 69 Ų | 69 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 107.9 | 175 | -63.5 | -172.6 | 167.2 | 0 | 0 | 109.3 | G179 | E177-G179 VanDerWaalsContact C-N 3.35Å |
| 178 | C | 90.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.02 | 38% | 0.384 | C | S | . | . | trans | -98.5 | 16.7 | -177.7 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | V176 P180 C181 C206 I208 | V176-C178 PolarHBondContact O-N 3.39Å; C178-P180 WeakPolarHBondContact O-CD 3.42Å; C178-C181 PolarHBondContact N-O 2.95Å; C178-C206 HydrophobicContact CB-CB 3.83Å; C178-C206 WeakPolarHBondContact CB-SG 3.43Å; C178-C206 WeakPolarHBondContact SG-CB 3.26Å; C178-C206 CovalentContact SG-SG 2.02Å; C178-C206 PolarHBondContact SG-SG 3.45Å; C178-I208 WeakPolarHBondContact O-CD1 3.37Å | ||
| 179 | G | 88.3 | Confident | 92.9 | Very high | 66 Ų | 66 | 66.5 Ų | 66.5 | 68% | 0.68 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 97.7 | -95.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E177 C181 | E177-G179 VanDerWaalsContact C-N 3.35Å; G179-C181 VanDerWaalsContact C-N 3.35Å |
| 180 | P | 87.9 | Confident | 93.1 | Very high | 129 Ų | 129 | 66.7 Ų | 66.7 | 84% | 0.838 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -81.5 | -13 | -176.3 | 33.8 | -34.4 | 0 | 0 | 0 | 113.8 | C178 | C178-P180 WeakPolarHBondContact O-CD 3.42Š|
| 181 | C | 91.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 30% | 0.297 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -136.4 | 161.4 | 178.6 | 56 | 0 | 0 | 0 | 0 | 111.1 | C178 G179 C204 | C178-C181 PolarHBondContact N-O 2.95Å; G179-C181 VanDerWaalsContact C-N 3.35Å; C181-C204 VanDerWaalsContact C-SG 3.6Å; C181-C204 HydrophobicContact CB-CB 3.81Å; C181-C204 WeakPolarHBondContact CB-SG 3.43Å; C181-C204 WeakPolarHBondContact SG-CB 3.45Å; C181-C204 CovalentContact SG-SG 2.03Å; C181-C204 PolarHBondContact SG-SG 3.33Å |
| 182 | Q | 92.4 | Very high | 93 | Very high | 114 Ų | 114 | 65.2 Ų | 65.2 | 53% | 0.533 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.4 | 177 | -71.6 | -179.3 | -2.9 | 0 | 0 | 108.5 | I175 V176 | I175-Q182 HydrophobicContact CG2-CB 3.67Å; I175-Q182 HydrophobicContact CG2-CG 4.06Å; V176-Q182 WeakPolarHBondContact O-CA 3.11Å |
| 183 | K | 93.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 66.6 Ų | 66.6 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.7 | 175.7 | -178.6 | 168.5 | -177.5 | 166.4 | 0 | 109.4 | D61 I175 V176 D201 C204 | D61-K183 WeakPolarHBondContact OD2-CE 3.35Å; D61-K183 IonicContact OD2-NZ 2.99Å; D61-K183 PolarHBondContact OD2-NZ 3.02Å; I175-K183 CarbonylContact C-O 3.57Å; I175-K183 WeakPolarHBondContact CA-O 3.44Å; V176-K183 HydrophobicContact CB-CB 4.41Å; V176-K183 PolarHBondContact N-O 3.02Å; V176-K183 PolarHBondContact O-N 3.5Å; K183-D201 WeakPolarHBondContact CE-O 3.3Å; K183-C204 HydrophobicContact CB-CB 4.26Å |
| 184 | V | 93.6 | Very high | 92.7 | Very high | 70 Ų | 70 | 64.7 Ų | 64.7 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 145.1 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | I175 D201 | I175-V184 HydrophobicContact CG1-CG1 4.2Å; I175-V184 HydrophobicContact CG2-CG1 4.42Å; V184-D201 HydrophobicContact CG2-CB 3.86Å; V184-D201 PolarHBondContact O-N 3.07Å |
| 185 | F | 95.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 65.9 Ų | 65.9 | 1% | 0.013 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.4 | 172.6 | 70.2 | -85.2 | 0 | 0 | 0 | 112.1 | V64 Q67 L68 M71 N173 G174 V176 L198 V199 T200 | V64-F185 HydrophobicContact CG1-CB 4.44Å; V64-F185 HydrophobicContact CG1-CD2 4.32Å; V64-F185 HydrophobicContact CG1-CG 4.2Å; V64-F185 HydrophobicContact CG2-CB 4.49Å; Q67-F185 HydrophobicContact CB-CE1 4.14Å; Q67-F185 HydrophobicContact CB-CZ 4.18Å; Q67-F185 HydrophobicContact CG-CE1 3.65Å; Q67-F185 HydrophobicContact CG-CZ 3.63Å; L68-F185 HydrophobicContact CD2-CD2 4.3Å; L68-F185 HydrophobicContact CD2-CE2 3.63Å; L68-F185 HydrophobicContact CD2-CZ 4.41Å; L68-F185 HydrophobicContact CG-CE2 4.25Å; M71-F185 HydrophobicContact SD-CE2 4.23Å; M71-F185 HydrophobicContact SD-CZ 3.71Å; N173-F185 WeakPolarHBondContact CA-O 3.33Å; G174-F185 VanDerWaalsContact C-CE1 3.46Å; G174-F185 PolarHBondContact N-O 3.32Å; G174-F185 WeakPolarHBondContact O-CD1 3.48Å; G174-F185 PolarHBondContact O-N 3.34Å; V176-F185 HydrophobicContact CG2-CD1 3.8Å; V176-F185 HydrophobicContact CG2-CE1 3.66Å; F185-L198 HydrophobicContact CB-CD1 4.23Å; F185-L198 HydrophobicContact CD2-CD1 4.33Å; F185-V199 CarbonylContact C-O 3.6Å; F185-V199 WeakPolarHBondContact CA-O 3.48Å; F185-T200 HydrophobicContact CB-CG2 3.86Å |
| 186 | V | 95.1 | Very high | 92.8 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.8 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | N173 L198 V199 | N173-V186 HydrophobicContact CB-CG2 4.09Å; V186-L198 CarbonylContact O-C 3.55Å; V186-L198 WeakPolarHBondContact O-CA 3.22Å; V186-V199 PolarHBondContact N-O 3.13Å; V186-V199 PolarHBondContact O-N 3.25Å |
| 187 | V | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.1 | 171.7 | 122.1 | 0 | 0 | 0 | 0 | 109.2 | L68 V73 E171 A172 L197 L198 | L68-V187 HydrophobicContact CD2-CB 4.41Å; V73-V187 HydrophobicContact CG1-CG1 4.1Å; E171-V187 WeakPolarHBondContact CA-O 3.24Å; A172-V187 HydrophobicContact CB-CG1 4.19Å; A172-V187 PolarHBondContact N-O 3.41Å; A172-V187 PolarHBondContact O-N 3.48Å; V187-L197 CarbonylContact C-O 3.57Å; V187-L197 VanDerWaalsContact CA-O 3.3Å; V187-L197 WeakPolarHBondContact CA-O 3.21Å; V187-L198 HydrophobicContact CB-CD1 4.46Å; V187-L198 HydrophobicContact CG2-CB 3.78Å; V187-L198 HydrophobicContact CG2-CD1 3.7Å; V187-L198 HydrophobicContact CG2-CG 4.3Å |
| 188 | Q | 94.7 | Very high | 93 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 134.1 | 177.1 | -179 | 172.3 | 39.2 | 0 | 0 | 110.4 | E171 L196 L197 | E171-Q188 HydrophobicContact CG-CB 4.11Å; E171-Q188 HydrophobicContact CG-CG 3.7Å; E171-Q188 PolarHBondContact OE1-NE2 3.3Å; Q188-L196 CarbonylContact O-C 3.24Å; Q188-L196 WeakPolarHBondContact O-CA 3.33Å; Q188-L197 PolarHBondContact N-O 3.03Å; Q188-L197 PolarHBondContact O-N 3.05Å |
| 189 | Q | 95 | Very high | 93.2 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 23% | 0.229 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 130.2 | 173.1 | -169.9 | -176.9 | 10.3 | 0 | 0 | 111.1 | R170 S193 L196 | R170-Q189 PolarHBondContact O-N 3.36Å; Q189-S193 PolarHBondContact NE2-O 3.18Å; Q189-L196 HydrophobicContact CB-CD2 4.02Å; Q189-L196 HydrophobicContact CG-CD2 4.34Å |
| 190 | I | 93.2 | Very high | 93.5 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 27% | 0.272 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 120.9 | 173.4 | -61.5 | 176.8 | 0 | 0 | 0 | 108.1 | V37 S193 L195 L197 | V37-I190 HydrophobicContact CG1-CD1 4.03Å; I190-S193 WeakPolarHBondContact CB-OG 3.49Å; I190-S193 PolarHBondContact O-N 2.96Å; I190-S193 PolarHBondContact O-OG 2.68Å; I190-L195 HydrophobicContact CB-CB 4.44Å; I190-L195 HydrophobicContact CD1-CB 3.98Å; I190-L195 PolarHBondContact N-O 3.22Å; I190-L197 HydrophobicContact CG1-CB 4.31Å |
| 191 | P | 91.5 | Very high | 93.7 | Very high | 103 Ų | 103 | 50.2 Ų | 50.2 | 67% | 0.669 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 142.9 | -172.8 | 24.5 | -34.4 | 0 | 0 | 0 | 111.7 | S193 | P191-S193 PolarHBondContact O-N 3.35Š|
| 192 | N | 91.1 | Very high | 93.5 | Very high | 177 Ų | 177 | 50.3 Ų | 50.3 | 95% | 0.947 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 24.7 | -178 | -51.5 | -49.9 | 0 | 0 | 0 | 114.5 | ||
| 193 | S | 91.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -141.8 | 167.2 | 175.1 | 81.7 | 0 | 0 | 0 | 0 | 111.9 | Q189 I190 P191 L195 | Q189-S193 PolarHBondContact NE2-O 3.18Å; I190-S193 WeakPolarHBondContact CB-OG 3.49Å; I190-S193 PolarHBondContact O-N 2.96Å; I190-S193 PolarHBondContact O-OG 2.68Å; P191-S193 PolarHBondContact O-N 3.35Å; S193-L195 VanDerWaalsContact C-N 3.26Å; S193-L195 PolarHBondContact OG-N 3.12Å; S193-L195 VanDerWaalsContact OG-N 3.17Å |
| 194 | N | 91.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 49.8 Ų | 49.8 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -86.9 | 4.8 | 170.6 | 65.2 | -39.1 | 0 | 0 | 0 | 112.9 | D39 N40 | D39-N194 PolarHBondContact OD1-ND2 3.12Å; N40-N194 HydrophobicContact CB-CB 4.39Å; N40-N194 PolarHBondContact N-O 2.93Å; N40-N194 PolarHBondContact OD1-ND2 3.16Å |
| 195 | L | 94.5 | Very high | 92.9 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | trans | -91.9 | 151.5 | -175.3 | -54.6 | -177.5 | 0 | 0 | 0 | 111.5 | V37 I38 D39 L45 I190 S193 | V37-L195 HydrophobicContact CG1-CB 4.04Å; V37-L195 HydrophobicContact CG1-CD1 3.99Å; V37-L195 HydrophobicContact CG1-CG 4.48Å; I38-L195 WeakPolarHBondContact O-CA 2.99Å; D39-L195 HydrophobicContact CB-CD2 4.46Å; L45-L195 HydrophobicContact CD1-CD1 4.3Å; L45-L195 HydrophobicContact CD1-CD2 3.4Å; L45-L195 VanDerWaalsContact CD1-CD2 3.4Å; L45-L195 HydrophobicContact CD1-CG 4.49Å; I190-L195 HydrophobicContact CB-CB 4.44Å; I190-L195 HydrophobicContact CD1-CB 3.98Å; I190-L195 PolarHBondContact N-O 3.22Å; S193-L195 VanDerWaalsContact C-N 3.26Å; S193-L195 PolarHBondContact OG-N 3.12Å; S193-L195 VanDerWaalsContact OG-N 3.17Å | ||
| 196 | L | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.1 | 176.6 | -57.9 | 152.2 | 0 | 0 | 0 | 108.7 | V37 I38 F74 Y165 Q188 Q189 | V37-L196 CarbonylContact C-O 3.55Å; V37-L196 WeakPolarHBondContact CA-O 3.48Å; I38-L196 HydrophobicContact CD1-CB 4.11Å; I38-L196 HydrophobicContact CD1-CD1 4.08Å; I38-L196 HydrophobicContact CG1-CB 3.6Å; I38-L196 HydrophobicContact CG1-CD1 4.05Å; I38-L196 HydrophobicContact CG1-CG 4.43Å; I38-L196 PolarHBondContact N-O 2.82Å; I38-L196 PolarHBondContact O-N 2.74Å; F74-L196 HydrophobicContact CE2-CD1 4.2Å; F74-L196 HydrophobicContact CZ-CD1 3.76Å; Y165-L196 HydrophobicContact CD1-CD1 4.25Å; Y165-L196 HydrophobicContact CD1-CD2 4.24Å; Y165-L196 HydrophobicContact CD2-CD1 3.69Å; Y165-L196 HydrophobicContact CD2-CD2 3.94Å; Y165-L196 HydrophobicContact CD2-CG 4.43Å; Y165-L196 HydrophobicContact CE1-CD2 3.87Å; Y165-L196 HydrophobicContact CE2-CD1 4.2Å; Y165-L196 HydrophobicContact CE2-CD2 3.55Å; Y165-L196 HydrophobicContact CE2-CG 4.5Å; Y165-L196 HydrophobicContact CG-CD1 3.73Å; Y165-L196 HydrophobicContact CG-CD2 4.27Å; Y165-L196 HydrophobicContact CG-CG 4.46Å; Q188-L196 CarbonylContact O-C 3.24Å; Q188-L196 WeakPolarHBondContact O-CA 3.33Å; Q189-L196 HydrophobicContact CB-CD2 4.02Å; Q189-L196 HydrophobicContact CG-CD2 4.34Å |
| 197 | L | 95.3 | Very high | 92.3 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.9 | 166.9 | 175.5 | 60.2 | 0 | 0 | 0 | 108.1 | F10 V187 Q188 I190 V199 | F10-L197 HydrophobicContact CE2-CD1 3.9Å; F10-L197 HydrophobicContact CZ-CD1 3.61Å; V187-L197 CarbonylContact C-O 3.57Å; V187-L197 VanDerWaalsContact CA-O 3.3Å; V187-L197 WeakPolarHBondContact CA-O 3.21Å; Q188-L197 PolarHBondContact N-O 3.03Å; Q188-L197 PolarHBondContact O-N 3.05Å; I190-L197 HydrophobicContact CG1-CB 4.31Å; L197-V199 HydrophobicContact CD1-CG2 4.29Å; L197-V199 HydrophobicContact CG-CG2 4.14Å |
| 198 | L | 95.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.7 | 173.4 | 170.3 | 66.7 | 0 | 0 | 0 | 108.7 | C35 F36 I38 L57 V64 F185 V186 V187 T200 | C35-L198 CarbonylContact C-O 3.58Å; C35-L198 WeakPolarHBondContact CA-O 3.42Å; F36-L198 HydrophobicContact CB-CB 4.25Å; F36-L198 HydrophobicContact CD2-CD2 4.05Å; F36-L198 HydrophobicContact CD2-CG 4.21Å; F36-L198 PolarHBondContact N-O 3.12Å; F36-L198 PolarHBondContact O-N 3.05Å; I38-L198 HydrophobicContact CD1-CB 4.36Å; L57-L198 HydrophobicContact CD1-CD2 3.7Å; L57-L198 HydrophobicContact CD2-CD2 3.74Å; L57-L198 HydrophobicContact CG-CD2 4.39Å; V64-L198 HydrophobicContact CG1-CD1 3.95Å; V64-L198 HydrophobicContact CG1-CD2 4.1Å; F185-L198 HydrophobicContact CB-CD1 4.23Å; F185-L198 HydrophobicContact CD2-CD1 4.33Å; V186-L198 CarbonylContact O-C 3.55Å; V186-L198 WeakPolarHBondContact O-CA 3.22Å; V187-L198 HydrophobicContact CB-CD1 4.46Å; V187-L198 HydrophobicContact CG2-CB 3.78Å; V187-L198 HydrophobicContact CG2-CD1 3.7Å; V187-L198 HydrophobicContact CG2-CG 4.3Å; L198-T200 HydrophobicContact CD1-CG2 3.84Å; L198-T200 HydrophobicContact CD2-CG2 4.25Å; L198-T200 HydrophobicContact CG-CG2 3.91Å |
| 199 | V | 94.5 | Very high | 91.7 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 19% | 0.194 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.3 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | L33 D34 F185 V186 L197 | L33-V199 HydrophobicContact CB-CG1 4.31Å; L33-V199 HydrophobicContact CD1-CG1 4.27Å; L33-V199 HydrophobicContact CD2-CG1 4.09Å; L33-V199 HydrophobicContact CG-CG1 4.47Å; D34-V199 WeakPolarHBondContact O-CA 3.36Å; F185-V199 CarbonylContact C-O 3.6Å; F185-V199 WeakPolarHBondContact CA-O 3.48Å; V186-V199 PolarHBondContact N-O 3.13Å; V186-V199 PolarHBondContact O-N 3.25Å; L197-V199 HydrophobicContact CD1-CG2 4.29Å; L197-V199 HydrophobicContact CG-CG2 4.14Å |
| 200 | T | 93.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.3 | -177.2 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | D34 V64 F185 L198 | D34-T200 WeakPolarHBondContact CB-OG1 3.37Å; D34-T200 PolarHBondContact N-O 2.85Å; D34-T200 PolarHBondContact O-N 2.86Å; D34-T200 PolarHBondContact O-OG1 3.33Å; V64-T200 HydrophobicContact CG1-CG2 4.49Å; V64-T200 HydrophobicContact CG2-CG2 3.98Å; F185-T200 HydrophobicContact CB-CG2 3.86Å; L198-T200 HydrophobicContact CD1-CG2 3.84Å; L198-T200 HydrophobicContact CD2-CG2 4.25Å; L198-T200 HydrophobicContact CG-CG2 3.91Å |
| 201 | D | 91.5 | Very high | 91.5 | Very high | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | trans | -81.4 | 122 | 172.2 | -175.7 | -12.9 | 0 | 0 | 0 | 111.2 | K183 V184 T203 | K183-D201 WeakPolarHBondContact CE-O 3.3Å; V184-D201 HydrophobicContact CG2-CB 3.86Å; V184-D201 PolarHBondContact O-N 3.07Å; D201-T203 VanDerWaalsContact OD1-CB 3.25Å; D201-T203 WeakPolarHBondContact OD1-CB 3.38Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.4Å; D201-T203 PolarHBondContact OD1-N 3.11Å; D201-T203 PolarHBondContact OD1-OG1 3.24Å; D201-T203 PolarHBondContact OD2-OG1 3Å; D201-T203 VanDerWaalsContact OD2-OG1 3.09Å | ||
| 202 | P | 89 | Confident | 91.6 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -81.7 | -6.8 | 178.8 | 33.6 | -33.7 | 0 | 0 | 0 | 114.4 | S31 D32 C204 | S31-P202 WeakPolarHBondContact O-CG 3.41Å; D32-P202 WeakPolarHBondContact O-CD 3.34Å; P202-C204 VanDerWaalsContact C-N 3.3Å; P202-C204 PolarHBondContact O-N 3.08Å |
| 203 | T | 87.9 | Confident | 91.7 | Very high | 115 Ų | 115 | 53.1 Ų | 53.1 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -69.5 | -24.6 | -171.9 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | D201 | D201-T203 VanDerWaalsContact OD1-CB 3.25Å; D201-T203 WeakPolarHBondContact OD1-CB 3.38Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.4Å; D201-T203 PolarHBondContact OD1-N 3.11Å; D201-T203 PolarHBondContact OD1-OG1 3.24Å; D201-T203 PolarHBondContact OD2-OG1 3Å; D201-T203 VanDerWaalsContact OD2-OG1 3.09Å |
| 204 | C | 89.4 | Confident | 91.7 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.034 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -107 | 122 | -176.5 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | C181 K183 P202 | C181-C204 VanDerWaalsContact C-SG 3.6Å; C181-C204 HydrophobicContact CB-CB 3.81Å; C181-C204 WeakPolarHBondContact CB-SG 3.43Å; C181-C204 WeakPolarHBondContact SG-CB 3.45Å; C181-C204 CovalentContact SG-SG 2.03Å; C181-C204 PolarHBondContact SG-SG 3.33Å; K183-C204 HydrophobicContact CB-CB 4.26Å; P202-C204 VanDerWaalsContact C-N 3.3Å; P202-C204 PolarHBondContact O-N 3.08Å |
| 205 | D | 88.2 | Confident | 91.7 | Very high | 122 Ų | 122 | 56.4 Ų | 56.4 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | trans | -82.9 | 114.6 | 173.2 | -176.1 | 3.2 | 0 | 0 | 0 | 110.3 | S207 | D205-S207 WeakPolarHBondContact OD1-CB 3.45Å; D205-S207 PolarHBondContact OD1-N 2.74Å; D205-S207 VanDerWaalsContact OD1-N 3.09Å; D205-S207 PolarHBondContact OD1-OG 3.25Å | ||
| 206 | C | 90.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 57.5 Ų | 57.5 | 9% | 0.088 | 33% | 0.332 | C | S | . | . | trans | -104.9 | 30.8 | -176.7 | -61 | 0 | 0 | 0 | 0 | 112.9 | A63 C178 I208 F209 | A63-C206 HydrophobicContact CB-CB 3.63Å; C178-C206 HydrophobicContact CB-CB 3.83Å; C178-C206 WeakPolarHBondContact CB-SG 3.43Å; C178-C206 WeakPolarHBondContact SG-CB 3.26Å; C178-C206 CovalentContact SG-SG 2.02Å; C178-C206 PolarHBondContact SG-SG 3.45Å; C206-I208 PolarHBondContact O-N 2.79Å; C206-F209 HydrophobicContact CB-CD2 4.41Å; C206-F209 PolarHBondContact O-N 2.95Å; C206-F209 VanDerWaalsContact O-N 3.11Å | ||
| 207 | S | 87 | Confident | 91.4 | Very high | 92 Ų | 92 | 61 Ų | 61 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -5.3 | 179.1 | -67.1 | 0 | 0 | 0 | 0 | 115.5 | D205 F209 | D205-S207 WeakPolarHBondContact OD1-CB 3.45Å; D205-S207 PolarHBondContact OD1-N 2.74Å; D205-S207 VanDerWaalsContact OD1-N 3.09Å; D205-S207 PolarHBondContact OD1-OG 3.25Å; S207-F209 PolarHBondContact O-N 3.5Å |
| 208 | I | 88.8 | Confident | 91.3 | Very high | 124 Ų | 124 | 63 Ų | 63 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -31.7 | 171.6 | -56.3 | -177.6 | 0 | 0 | 0 | 110.9 | C178 C206 | C178-I208 WeakPolarHBondContact O-CD1 3.37Å; C206-I208 PolarHBondContact O-N 2.79Å |
| 209 | F | 90.2 | Very high | 91 | Very high | 66 Ų | 66 | 64 Ų | 64 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -80.5 | 124.2 | 175.8 | -67.7 | -90 | 0 | 0 | 0 | 109.5 | A63 V176 C206 S207 | A63-F209 HydrophobicContact CB-CB 3.83Å; A63-F209 HydrophobicContact CB-CD2 3.51Å; A63-F209 HydrophobicContact CB-CE2 4.23Å; A63-F209 HydrophobicContact CB-CG 3.73Å; V176-F209 HydrophobicContact CG1-CE2 3.8Å; V176-F209 HydrophobicContact CG1-CZ 3.98Å; C206-F209 HydrophobicContact CB-CD2 4.41Å; C206-F209 PolarHBondContact O-N 2.95Å; C206-F209 VanDerWaalsContact O-N 3.11Å; S207-F209 PolarHBondContact O-N 3.5Å |
| 210 | P | 92 | Very high | 90.6 | Very high | 95 Ų | 95 | 70.2 Ų | 70.2 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 150.2 | 176.3 | 27.8 | -33.9 | 0 | 0 | 0 | 110.5 | V212 | P210-V212 PolarHBondContact O-N 2.94Š|
| 211 | P | 92.5 | Very high | 90 | Very high | 79 Ų | 79 | 74.8 Ų | 74.8 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 139.5 | 173.7 | 27.5 | -33.8 | 0 | 0 | 0 | 110.1 | G58 L213 | G58-P211 CarbonylContact O-C 3.57Å; G58-P211 WeakPolarHBondContact O-CA 3.42Å; P211-L213 HydrophobicContact CB-CD2 4.14Å |
| 212 | V | 93.2 | Very high | 89.6 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | trans | -92.9 | 108.2 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | F56 G58 L65 F163 P210 | F56-V212 VanDerWaalsContact CD1-O 3.31Å; F56-V212 WeakPolarHBondContact CD1-O 3.47Å; F56-V212 HydrophobicContact CE1-CG1 4.33Å; F56-V212 VanDerWaalsContact CE1-O 3.32Å; F56-V212 WeakPolarHBondContact CE1-O 3.31Å; G58-V212 CarbonylContact C-O 3.56Å; G58-V212 VanDerWaalsContact C-O 3.24Å; G58-V212 WeakPolarHBondContact CA-O 3.45Å; G58-V212 PolarHBondContact O-N 3.18Å; L65-V212 HydrophobicContact CD2-CB 3.86Å; L65-V212 HydrophobicContact CD2-CG1 3.84Å; L65-V212 HydrophobicContact CD2-CG2 4.35Å; F163-V212 HydrophobicContact CE1-CG1 4.21Å; F163-V212 HydrophobicContact CE2-CG1 4.02Å; F163-V212 HydrophobicContact CZ-CG1 3.41Å; F163-V212 VanDerWaalsContact CZ-CG1 3.41Å; P210-V212 PolarHBondContact O-N 2.94Å | ||
| 213 | L | 93.1 | Very high | 89.2 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 34% | 0.34 | 45% | 0.448 | S | S | . | . | trans | -99.9 | 150.9 | -174.1 | -55.8 | 176.7 | 0 | 0 | 0 | 111.6 | E59 P161 P211 E215 | E59-L213 HydrophobicContact CB-CD2 4.33Å; E59-L213 HydrophobicContact CG-CD2 3.92Å; P161-L213 WeakPolarHBondContact CG-O 3.42Å; P211-L213 HydrophobicContact CB-CD2 4.14Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E215 HydrophobicContact CB-CG 4.06Å; L213-E215 HydrophobicContact CD1-CG 4.39Å | ||
| 214 | Q | 91 | Very high | 88.9 | Confident | 55 Ų | 55 | 78 Ų | 78 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | trans | -99.4 | 41.1 | 170.6 | -63 | -173.2 | 26.2 | 0 | 0 | 111.1 | F56 F163 | F56-Q214 HydrophobicContact CD1-CG 4.03Å; F56-Q214 HydrophobicContact CE1-CG 4.08Å; F56-Q214 HydrophobicContact CG-CG 4.31Å; F56-Q214 VanDerWaalsContact CG-NE2 3.35Å; F56-Q214 HydrophobicContact CZ-CG 4.43Å; F163-Q214 HydrophobicContact CD2-CG 4.07Å; F163-Q214 HydrophobicContact CE2-CG 3.93Å | ||
| 215 | E | 91.3 | Very high | 88.5 | Confident | 131 Ų | 131 | 81.2 Ų | 81.2 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | trans | -78.1 | 137.3 | -178.4 | -74.7 | -179.6 | 179.7 | 0 | 0 | 111.4 | L213 | L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E215 HydrophobicContact CB-CG 4.06Å; L213-E215 HydrophobicContact CD1-CG 4.39Å | ||
| 216 | A | 92.9 | Very high | 88.2 | Confident | 64 Ų | 64 | 82.4 Ų | 82.4 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | trans | -80.2 | 125.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E159 | E159-A216 WeakPolarHBondContact O-CA 3.42Š| ||
| 217 | T | 92.1 | Very high | 87.8 | Confident | 75 Ų | 75 | 84.7 Ų | 84.7 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 141 | 177.7 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | T158 E159 V219 | T158-T217 CarbonylContact C-O 3.6Å; T158-T217 WeakPolarHBondContact CA-O 3.44Å; T158-T217 WeakPolarHBondContact CB-O 3.34Å; E159-T217 PolarHBondContact N-O 2.72Å; E159-T217 PolarHBondContact O-N 3.18Å; E159-T217 PolarHBondContact O-OG1 3.4Å; T217-V219 PolarHBondContact O-N 3.26Å |
| 218 | E | 91.6 | Very high | 87.7 | Confident | 76 Ų | 76 | 84.4 Ų | 84.4 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 125.7 | 175.5 | -175.8 | -179 | -168.6 | 0 | 0 | 110.2 | C156 K220 | C156-E218 HydrophobicContact CB-CG 4.32Å; E218-K220 PolarHBondContact O-N 2.96Å |
| 219 | V | 89.7 | Confident | 87.3 | Confident | 23 Ų | 23 | 85.4 Ų | 85.4 | 14% | 0.139 | 46% | 0.459 | C | S | . | . | trans | -80.3 | 117.8 | 179.7 | -172.9 | 0 | 0 | 0 | 0 | 110 | Y80 D157 E159 T217 Y221 | Y80-V219 HydrophobicContact CD1-CG2 4.15Å; Y80-V219 HydrophobicContact CE1-CG2 4.08Å; D157-V219 HydrophobicContact CB-CB 4.49Å; D157-V219 PolarHBondContact O-N 3.16Å; E159-V219 HydrophobicContact CB-CG2 3.62Å; E159-V219 HydrophobicContact CG-CG2 3.71Å; T217-V219 PolarHBondContact O-N 3.26Å; V219-Y221 HydrophobicContact CB-CE2 4.3Å; V219-Y221 HydrophobicContact CG1-CD1 4.04Å; V219-Y221 HydrophobicContact CG1-CE1 3.61Å; V219-Y221 HydrophobicContact CG1-CE2 4.14Å; V219-Y221 HydrophobicContact CG1-CG 4.47Å | ||
| 220 | K | 86.4 | Confident | 86.9 | Confident | 163 Ų | 163 | 87.4 Ų | 87.4 | 71% | 0.709 | 47% | 0.471 | S | S | * | . | trans | -95.1 | 101.8 | 171.9 | -64.4 | -174.3 | -178 | -179.3 | 0 | 109.8 | E218 N222 | E218-K220 PolarHBondContact O-N 2.96Å; K220-N222 PolarHBondContact O-N 2.73Å | ||
| 221 | Y | 81 | Confident | 86.4 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | trans | -70.5 | 119.4 | 178.9 | -63.5 | -72.3 | 0 | 0 | 0 | 112 | Y82 D157 V219 V225 | Y82-Y221 WeakPolarHBondContact CE1-OH 3.3Å; D157-Y221 HydrophobicContact CB-CE2 3.8Å; D157-Y221 WeakPolarHBondContact CB-OH 3.39Å; D157-Y221 WeakPolarHBondContact OD2-CE2 3.44Å; D157-Y221 PolarHBondContact OD2-OH 3.42Å; D157-Y221 VanDerWaalsContact OD2-OH 3.13Å; V219-Y221 HydrophobicContact CB-CE2 4.3Å; V219-Y221 HydrophobicContact CG1-CD1 4.04Å; V219-Y221 HydrophobicContact CG1-CE1 3.61Å; V219-Y221 HydrophobicContact CG1-CE2 4.14Å; V219-Y221 HydrophobicContact CG1-CG 4.47Å; Y221-V225 HydrophobicContact CD1-CG1 4.47Å | ||
| 222 | N | 84.3 | Confident | 85.8 | Confident | 110 Ų | 110 | 93.6 Ų | 93.6 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | trans | -69.5 | 146.6 | 164.2 | -67.2 | -26.1 | 0 | 0 | 0 | 109.9 | K220 S224 V225 | K220-N222 PolarHBondContact O-N 2.73Å; N222-S224 PolarHBondContact O-N 3.13Å; N222-S224 VanDerWaalsContact O-N 3.12Å; N222-V225 HydrophobicContact CB-CG2 4.37Å; N222-V225 PolarHBondContact O-N 2.75Å; N222-V225 VanDerWaalsContact O-N 3.13Å | ||
| 223 | A | 79.4 | Confident | 85.1 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55.9 | -32.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | C227 | A223-C227 PolarHBondContact O-N 2.86Å; A223-C227 PolarHBondContact O-SG 3.05Å; A223-C227 VanDerWaalsContact O-SG 3.35Å |
| 224 | S | 82.5 | Confident | 84.6 | Confident | 71 Ų | 71 | 103.9 Ų | 103.9 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.6 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | N222 K226 C227 D228 | N222-S224 PolarHBondContact O-N 3.13Å; N222-S224 VanDerWaalsContact O-N 3.12Å; S224-K226 VanDerWaalsContact C-N 3.28Å; S224-K226 PolarHBondContact O-N 3.24Å; S224-C227 WeakPolarHBondContact O-CA 3.26Å; S224-C227 WeakPolarHBondContact O-CB 3.5Å; S224-C227 PolarHBondContact O-N 2.98Å; S224-D228 PolarHBondContact O-N 3.45Å |
| 225 | V | 81.3 | Confident | 84.5 | Confident | 72 Ų | 72 | 109.9 Ų | 109.9 | 44% | 0.436 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -38.1 | -177.5 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | Y221 N222 C227 D228 R229 | Y221-V225 HydrophobicContact CD1-CG1 4.47Å; N222-V225 HydrophobicContact CB-CG2 4.37Å; N222-V225 PolarHBondContact O-N 2.75Å; N222-V225 VanDerWaalsContact O-N 3.13Å; V225-C227 VanDerWaalsContact C-N 3.34Å; V225-C227 PolarHBondContact O-N 3.17Å; V225-D228 PolarHBondContact O-N 3.39Å; V225-R229 PolarHBondContact O-N 2.9Å |
| 226 | K | 80.3 | Confident | 84.2 | Confident | 147 Ų | 147 | 113.2 Ų | 113.2 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.4 | -42.2 | 174.5 | -173.5 | 174.7 | -179.7 | 177.2 | 0 | 111.3 | S224 R229 M230 | S224-K226 VanDerWaalsContact C-N 3.28Å; S224-K226 PolarHBondContact O-N 3.24Å; K226-R229 PolarHBondContact O-N 3.24Å; K226-M230 WeakPolarHBondContact O-CG 3.31Å; K226-M230 PolarHBondContact O-N 3.43Å; K226-M230 VanDerWaalsContact O-N 3.13Å |
| 227 | C | 83.7 | Confident | 84.2 | Confident | 61 Ų | 61 | 119.8 Ų | 119.8 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.4 | -41.8 | 177 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | A223 S224 V225 R229 M230 R231 | A223-C227 PolarHBondContact O-N 2.86Å; A223-C227 PolarHBondContact O-SG 3.05Å; A223-C227 VanDerWaalsContact O-SG 3.35Å; S224-C227 WeakPolarHBondContact O-CA 3.26Å; S224-C227 WeakPolarHBondContact O-CB 3.5Å; S224-C227 PolarHBondContact O-N 2.98Å; V225-C227 VanDerWaalsContact C-N 3.34Å; V225-C227 PolarHBondContact O-N 3.17Å; C227-R229 PolarHBondContact O-N 3.15Å; C227-M230 WeakPolarHBondContact O-CB 3.48Å; C227-M230 PolarHBondContact O-N 2.97Å; C227-M230 VanDerWaalsContact O-N 3.14Å; C227-R231 PolarHBondContact O-N 2.98Å |
| 228 | D | 85.3 | Confident | 84.1 | Confident | 86 Ų | 86 | 126.4 Ų | 126.4 | 46% | 0.46 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.4 | -39.2 | 178.2 | -67.5 | -32.5 | 0 | 0 | 0 | 111.7 | S224 V225 M230 R231 S232 | S224-D228 PolarHBondContact O-N 3.45Å; V225-D228 PolarHBondContact O-N 3.39Å; D228-M230 VanDerWaalsContact C-N 3.28Å; D228-M230 PolarHBondContact O-N 3.22Å; D228-R231 WeakPolarHBondContact O-CB 3.41Å; D228-R231 PolarHBondContact O-N 3.39Å; D228-S232 PolarHBondContact O-N 3.37Å; D228-S232 PolarHBondContact O-OG 2.96Å |
| 229 | R | 80 | Confident | 84.2 | Confident | 145 Ų | 145 | 128.3 Ų | 128.3 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.4 | -32.2 | 172.5 | -172.5 | 174.5 | 179.8 | 155.1 | -0 | 112.9 | Y82 V225 K226 C227 R231 S232 | Y82-R229 PolarHBondContact OH-NH1 2.97Å; V225-R229 PolarHBondContact O-N 2.9Å; K226-R229 PolarHBondContact O-N 3.24Å; C227-R229 PolarHBondContact O-N 3.15Å; R229-R231 VanDerWaalsContact C-N 3.29Å; R229-S232 CarbonylContact O-C 3.58Å; R229-S232 PolarHBondContact O-N 3.42Å |
| 230 | M | 80.4 | Confident | 84.4 | Confident | 109 Ų | 109 | 133.8 Ų | 133.8 | 54% | 0.537 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70.1 | -25.8 | 173.8 | -71.1 | -165.2 | -59.8 | 0 | 0 | 112.8 | K226 C227 D228 Q233 | K226-M230 WeakPolarHBondContact O-CG 3.31Å; K226-M230 PolarHBondContact O-N 3.43Å; K226-M230 VanDerWaalsContact O-N 3.13Å; C227-M230 WeakPolarHBondContact O-CB 3.48Å; C227-M230 PolarHBondContact O-N 2.97Å; C227-M230 VanDerWaalsContact O-N 3.14Å; D228-M230 VanDerWaalsContact C-N 3.28Å; D228-M230 PolarHBondContact O-N 3.22Å; M230-Q233 WeakPolarHBondContact O-CG 3.4Å; M230-Q233 PolarHBondContact O-NE2 3.01Å |
| 231 | R | 81.7 | Confident | 84.7 | Confident | 215 Ų | 215 | 129.6 Ų | 129.6 | 81% | 0.811 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.8 | -33.3 | 174.8 | -68.5 | 175.7 | 173.5 | 179.2 | -3.9 | 112.1 | C227 D228 R229 | C227-R231 PolarHBondContact O-N 2.98Å; D228-R231 WeakPolarHBondContact O-CB 3.41Å; D228-R231 PolarHBondContact O-N 3.39Å; R229-R231 VanDerWaalsContact C-N 3.29Å |
| 232 | S | 81.4 | Confident | 85.3 | Confident | 89 Ų | 89 | 130.4 Ų | 130.4 | 62% | 0.622 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 38.7 | -179.1 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | D228 R229 K234 | D228-S232 PolarHBondContact O-N 3.37Å; D228-S232 PolarHBondContact O-OG 2.96Å; R229-S232 CarbonylContact O-C 3.58Å; R229-S232 PolarHBondContact O-N 3.42Å; S232-K234 PolarHBondContact O-N 2.86Å |
| 233 | Q | 78.7 | Confident | 85.6 | Confident | 126 Ų | 126 | 133.2 Ų | 133.2 | 59% | 0.589 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 136.3 | 179.5 | -75 | -179.9 | 21.8 | 0 | 0 | 111.4 | M230 | M230-Q233 WeakPolarHBondContact O-CG 3.4Å; M230-Q233 PolarHBondContact O-NE2 3.01Å |
| 234 | K | 81.6 | Confident | 86.1 | Confident | 185 Ų | 185 | 133.5 Ų | 133.5 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 141.4 | 168 | -64.1 | -175.7 | 178.6 | -173.8 | 0 | 108.8 | S232 R236 | S232-K234 PolarHBondContact O-N 2.86Å; K234-R236 PolarHBondContact O-N 3.45Å; K234-R236 VanDerWaalsContact O-N 3.13Å |
| 235 | L | 87.9 | Confident | 86.4 | Confident | 180 Ų | 180 | 137.6 Ų | 137.6 | 94% | 0.942 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 120.8 | 175 | -177.2 | 66.2 | 0 | 0 | 0 | 109.4 | ||
| 236 | R | 87.1 | Confident | 86.8 | Confident | 202 Ų | 202 | 139 Ų | 139 | 76% | 0.762 | 67% | 0.674 | S | S | * | * | trans | -115 | 128.3 | 174 | -68.7 | -176.6 | -178.3 | 166.9 | -0.7 | 108.5 | K234 | K234-R236 PolarHBondContact O-N 3.45Å; K234-R236 VanDerWaalsContact O-N 3.13Å | ||
| 237 | R | 91.6 | Very high | 87.4 | Confident | 202 Ų | 202 | 137 Ų | 137 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 125.8 | 168.4 | -176.2 | 172.9 | 175.7 | -176.7 | -3 | 108.4 | D240 | R237-D240 IonicContact CZ-OD1 3.84Å; R237-D240 IonicContact NE-OD1 3.15Å; R237-D240 IonicContact NH2-OD1 2.69Å; R237-D240 PolarHBondContact NH2-OD1 3.28Å; R237-D240 IonicContact NH2-OD2 3.81Å; R237-D240 PolarHBondContact NH2-OD2 2.83Å |
| 238 | R | 90.3 | Very high | 87.7 | Confident | 214 Ų | 214 | 142.2 Ų | 142.2 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 154.2 | 171.4 | -70.3 | -174.6 | 178.9 | 176.1 | -0.1 | 109.7 | ||
| 239 | P | 93.7 | Very high | 87.8 | Confident | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 144.2 | 167 | -23.8 | 34.4 | 0 | 0 | 0 | 111 | ||
| 240 | D | 93.1 | Very high | 87.9 | Confident | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -73.3 | -29.5 | -175 | -62 | -32.5 | 0 | 0 | 0 | 112.1 | R237 | R237-D240 IonicContact CZ-OD1 3.84Å; R237-D240 IonicContact NE-OD1 3.15Å; R237-D240 IonicContact NH2-OD1 2.69Å; R237-D240 PolarHBondContact NH2-OD1 3.28Å; R237-D240 IonicContact NH2-OD2 3.81Å; R237-D240 PolarHBondContact NH2-OD2 2.83Å |
| 241 | S | 94.2 | Very high | 87.9 | Confident | 75 Ų | 75 | 141.3 Ų | 141.3 | 52% | 0.524 | 71% | 0.712 | S | S | . | * | trans | -124.6 | 150.5 | 173.7 | 69.7 | 0 | 0 | 0 | 0 | 112.4 | H243 | S241-H243 PolarHBondContact OG-NE2 3.06Å; S241-H243 VanDerWaalsContact OG-NE2 3.09Å | ||
| 242 | C | 92.4 | Very high | 87.9 | Confident | 115 Ų | 115 | 139 Ų | 139 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | trans | -130.5 | 114 | 172.2 | -178 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 243 | H | 91.2 | Very high | 87.6 | Confident | 168 Ų | 168 | 141.4 Ų | 141.4 | 78% | 0.778 | 72% | 0.716 | S | S | * | * | trans | -102.1 | 77.8 | 178.6 | -58.9 | -73.5 | 0 | 0 | 0 | 108.9 | S241 | S241-H243 PolarHBondContact OG-NE2 3.06Å; S241-H243 VanDerWaalsContact OG-NE2 3.09Å | ||
| 244 | A | 89.6 | Confident | 87.7 | Confident | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -84 | -10.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 245 | F | 89.3 | Confident | 87.1 | Confident | 157 Ų | 157 | 135.6 Ų | 135.6 | 69% | 0.689 | 72% | 0.723 | S | S | * | * | trans | -142.9 | 134.2 | -176.2 | 174.8 | -101.7 | 0 | 0 | 0 | 109.6 | P247 | F245-P247 HydrophobicContact CE1-CB 4.42Š| ||
| 246 | H | 90.1 | Very high | 86.2 | Confident | 102 Ų | 102 | 130.7 Ų | 130.7 | 47% | 0.472 | 72% | 0.715 | S | S | . | * | trans | -117.3 | 134 | 168.4 | -167 | -91.1 | 0 | 0 | 0 | 109.8 | E248 E249 | H246-E248 IonicContact CE1-OE2 3.55Å; H246-E248 WeakPolarHBondContact ND1-CB 3.42Å; H246-E248 PolarHBondContact ND1-N 3.31Å; H246-E248 PolarHBondContact O-N 3.36Å; H246-E248 VanDerWaalsContact O-N 3.16Å; H246-E249 HydrophobicContact CB-CB 4.2Å; H246-E249 PolarHBondContact N-OE2 3.4Å; H246-E249 WeakPolarHBondContact O-CB 3.33Å; H246-E249 PolarHBondContact O-N 2.9Å | ||
| 247 | P | 91.4 | Very high | 85.3 | Confident | 105 Ų | 105 | 125.6 Ų | 125.6 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -23.1 | -176.5 | 24.8 | -34.6 | 0 | 0 | 0 | 114 | F245 E249 | F245-P247 HydrophobicContact CE1-CB 4.42Å; P247-E249 VanDerWaalsContact C-N 3.35Å |
| 248 | E | 91.1 | Very high | 84.1 | Confident | 170 Ų | 170 | 121.1 Ų | 121.1 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 4.1 | 175.4 | -54.1 | 177.1 | 167.3 | 0 | 0 | 112.8 | H246 N250 | H246-E248 IonicContact CE1-OE2 3.55Å; H246-E248 WeakPolarHBondContact ND1-CB 3.42Å; H246-E248 PolarHBondContact ND1-N 3.31Å; H246-E248 PolarHBondContact O-N 3.36Å; H246-E248 VanDerWaalsContact O-N 3.16Å; E248-N250 PolarHBondContact O-N 3.31Å |
| 249 | E | 87.3 | Confident | 82.8 | Confident | 116 Ų | 116 | 118.3 Ų | 118.3 | 54% | 0.542 | 72% | 0.717 | S | S | . | * | trans | -75.2 | 118.6 | 176.9 | -170.6 | 178.5 | 178.1 | 0 | 0 | 110.5 | H246 P247 A251 | H246-E249 HydrophobicContact CB-CB 4.2Å; H246-E249 PolarHBondContact N-OE2 3.4Å; H246-E249 WeakPolarHBondContact O-CB 3.33Å; H246-E249 PolarHBondContact O-N 2.9Å; P247-E249 VanDerWaalsContact C-N 3.35Å; E249-A251 PolarHBondContact O-N 2.9Å | ||
| 250 | N | 82.7 | Confident | 81.4 | Confident | 110 Ų | 110 | 118.7 Ų | 118.7 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | trans | -83.3 | 94 | 176.1 | -176.7 | 15.2 | 0 | 0 | 0 | 111 | E248 Q252 | E248-N250 PolarHBondContact O-N 3.31Å; N250-Q252 PolarHBondContact O-N 2.93Å; N250-Q252 WeakPolarHBondContact OD1-CB 3.4Å; N250-Q252 PolarHBondContact OD1-N 2.86Å | ||
| 251 | A | 80.4 | Confident | 80 | Confident | 95 Ų | 95 | 117.1 Ų | 117.1 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 0.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E249 | E249-A251 PolarHBondContact O-N 2.9Š|
| 252 | Q | 80.7 | Confident | 78.6 | Confident | 168 Ų | 168 | 117.2 Ų | 117.2 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -8 | -178 | -61.4 | -155.7 | -13.1 | 0 | 0 | 114.2 | N250 C254 | N250-Q252 PolarHBondContact O-N 2.93Å; N250-Q252 WeakPolarHBondContact OD1-CB 3.4Å; N250-Q252 PolarHBondContact OD1-N 2.86Å; Q252-C254 PolarHBondContact O-N 3.02Å |
| 253 | D | 76.3 | Confident | 77.3 | Confident | 139 Ų | 139 | 114 Ų | 114 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | -83 | 69.8 | -178.6 | -143.9 | -0.5 | 0 | 0 | 0 | 110.5 | G255 | D253-G255 VanDerWaalsContact C-N 3.32Å; D253-G255 PolarHBondContact O-N 3.41Å; D253-G255 VanDerWaalsContact O-N 3.12Å | ||
| 254 | C | 80.6 | Confident | 76.1 | Confident | 117 Ų | 117 | 110.4 Ų | 110.4 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | -84.5 | 72.2 | 177.5 | 62 | 0 | 0 | 0 | 0 | 110.3 | Q252 G256 | Q252-C254 PolarHBondContact O-N 3.02Å; C254-G256 PolarHBondContact O-N 2.87Å; C254-G256 VanDerWaalsContact O-N 3.16Å | ||
| 255 | G | 68.2 | Low | 74.9 | Confident | 72 Ų | 72 | 110.4 Ų | 110.4 | 74% | 0.742 | 69% | 0.685 | S | S | * | * | trans | 26.2 | 76.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D253 A257 | D253-G255 VanDerWaalsContact C-N 3.32Å; D253-G255 PolarHBondContact O-N 3.41Å; D253-G255 VanDerWaalsContact O-N 3.12Å; G255-A257 PolarHBondContact O-N 3.36Å | ||
| 256 | G | 69.3 | Low | 73.6 | Confident | 76 Ų | 76 | 108.5 Ų | 108.5 | 78% | 0.784 | 68% | 0.682 | S | S | * | * | trans | -63.5 | 118.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | C254 | C254-G256 PolarHBondContact O-N 2.87Å; C254-G256 VanDerWaalsContact O-N 3.16Å | ||
| 257 | A | 67.3 | Low | 72.1 | Confident | 95 Ų | 95 | 109.2 Ų | 109.2 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -68.7 | 137.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | G255 D259 | G255-A257 PolarHBondContact O-N 3.36Å; A257-D259 PolarHBondContact O-N 2.88Å | ||
| 258 | S | 66.8 | Low | 70.7 | Confident | 108 Ų | 108 | 109.1 Ų | 109.1 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | trans | -67 | 105.8 | 168.3 | 56 | 0 | 0 | 0 | 0 | 108.4 | T260 | S258-T260 PolarHBondContact O-N 2.89Å; S258-T260 VanDerWaalsContact O-N 3.12Å | ||
| 259 | D | 63.5 | Low | 69.3 | Low | 155 Ų | 155 | 106.3 Ų | 106.3 | 83% | 0.829 | 67% | 0.672 | S | S | * | * | trans | -71.9 | 105.6 | 172.2 | -147.4 | -1.7 | 0 | 0 | 0 | 107.2 | A257 S261 | A257-D259 PolarHBondContact O-N 2.88Å; D259-S261 PolarHBondContact O-N 3.37Å | ||
| 260 | T | 63.5 | Low | 68 | Low | 125 Ų | 125 | 104.3 Ų | 104.3 | 77% | 0.767 | 67% | 0.669 | S | S | * | * | trans | -70.4 | 89.2 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 107.4 | S258 A262 | S258-T260 PolarHBondContact O-N 2.89Å; S258-T260 VanDerWaalsContact O-N 3.12Å; T260-A262 PolarHBondContact O-N 2.95Å; T260-A262 VanDerWaalsContact O-N 3.11Å | ||
| 261 | S | 64.9 | Low | 67 | Low | 103 Ų | 103 | 103.6 Ų | 103.6 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | trans | -59.6 | 117.3 | 176 | 64.4 | 0 | 0 | 0 | 0 | 109 | D259 S263 | D259-S261 PolarHBondContact O-N 3.37Å; S261-S263 PolarHBondContact O-N 3.07Å | ||
| 262 | A | 63.5 | Low | 65.9 | Low | 78 Ų | 78 | 102.3 Ų | 102.3 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | trans | -59.8 | 111 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | T260 P264 L267 | T260-A262 PolarHBondContact O-N 2.95Å; T260-A262 VanDerWaalsContact O-N 3.11Å; A262-P264 WeakPolarHBondContact O-CD 3.2Å; A262-L267 HydrophobicContact CB-CD1 4.47Å | ||
| 263 | S | 66.8 | Low | 64.8 | Low | 46 Ų | 46 | 97.1 Ų | 97.1 | 32% | 0.322 | 64% | 0.639 | S | S | . | * | trans | -64.7 | 117.8 | 179.2 | 59.9 | 0 | 0 | 0 | 0 | 108.8 | S261 P265 L266 | S261-S263 PolarHBondContact O-N 3.07Å; S263-P265 VanDerWaalsContact C-N 3.27Å; S263-P265 VanDerWaalsContact O-N 3.16Å; S263-L266 PolarHBondContact O-N 3.17Å; S263-L266 VanDerWaalsContact O-N 3.08Å; S263-L266 WeakPolarHBondContact OG-CB 3.23Å; S263-L266 VanDerWaalsContact OG-CD1 3.24Å; S263-L266 WeakPolarHBondContact OG-CD1 3.2Å | ||
| 264 | P | 64.4 | Low | 63.8 | Low | 93 Ų | 93 | 101.1 Ų | 101.1 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -50.2 | -35.2 | 176.5 | -24 | 33 | 0 | 0 | 0 | 115.3 | A262 L266 L267 L268 | A262-P264 WeakPolarHBondContact O-CD 3.2Å; P264-L266 VanDerWaalsContact C-N 3.29Å; P264-L266 PolarHBondContact O-N 2.89Å; P264-L267 PolarHBondContact O-N 3.42Å; P264-L268 PolarHBondContact O-N 2.66Å |
| 265 | P | 65.4 | Low | 62.5 | Low | 88 Ų | 88 | 97.8 Ų | 97.8 | 57% | 0.571 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.2 | -29.5 | 179.7 | 22.5 | -34 | 0 | 0 | 0 | 113.7 | S263 L268 | S263-P265 VanDerWaalsContact C-N 3.27Å; S263-P265 VanDerWaalsContact O-N 3.16Å; P265-L268 PolarHBondContact O-N 3.47Å |
| 266 | L | 60.7 | Low | 61.6 | Low | 118 Ų | 118 | 99.6 Ų | 99.6 | 62% | 0.618 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73 | -27.8 | 178.1 | -95 | 156.9 | 0 | 0 | 0 | 112.8 | S263 P264 L269 | S263-L266 PolarHBondContact O-N 3.17Å; S263-L266 VanDerWaalsContact O-N 3.08Å; S263-L266 WeakPolarHBondContact OG-CB 3.23Å; S263-L266 VanDerWaalsContact OG-CD1 3.24Å; S263-L266 WeakPolarHBondContact OG-CD1 3.2Å; P264-L266 VanDerWaalsContact C-N 3.29Å; P264-L266 PolarHBondContact O-N 2.89Å; L266-L269 HydrophobicContact CD2-CD1 4.1Å |
| 267 | L | 60.5 | Low | 60.6 | Low | 117 Ų | 117 | 102 Ų | 102 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -78.2 | -20.6 | 175.6 | -74.8 | 168.3 | 0 | 0 | 0 | 113.2 | A262 P264 P270 | A262-L267 HydrophobicContact CB-CD1 4.47Å; P264-L267 PolarHBondContact O-N 3.42Å; L267-P270 WeakPolarHBondContact O-CD 3.32Å; L267-P270 WeakPolarHBondContact O-CG 3.37Å |
| 268 | L | 60.5 | Low | 59.7 | Low | 102 Ų | 102 | 101.9 Ų | 101.9 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -88.5 | -20.1 | -179.8 | -72 | 168.6 | 0 | 0 | 0 | 113.7 | P264 P265 V271 C272 | P264-L268 PolarHBondContact O-N 2.66Å; P265-L268 PolarHBondContact O-N 3.47Å; L268-V271 PolarHBondContact O-N 2.86Å; L268-V271 VanDerWaalsContact O-N 3.16Å; L268-C272 PolarHBondContact O-N 2.76Å |
| 269 | L | 62 | Low | 58.9 | Low | 112 Ų | 112 | 104.3 Ų | 104.3 | 59% | 0.586 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -54.8 | -44.6 | 175 | -74 | 168.7 | 0 | 0 | 0 | 114.3 | L266 V271 A273 | L266-L269 HydrophobicContact CD2-CD1 4.1Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 3.41Å; L269-A273 WeakPolarHBondContact O-CB 3.43Å; L269-A273 PolarHBondContact O-N 2.75Å |
| 270 | P | 60.4 | Low | 58.4 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 47% | 0.474 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.6 | -30 | 176.8 | 24.3 | -32.7 | 0 | 0 | 0 | 113.1 | L267 W274 | L267-P270 WeakPolarHBondContact O-CD 3.32Å; L267-P270 WeakPolarHBondContact O-CG 3.37Å; P270-W274 PolarHBondContact O-N 3.32Å |
| 271 | V | 60.7 | Low | 57.7 | Low | 95 Ų | 95 | 105.9 Ų | 105.9 | 58% | 0.576 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.9 | -41.1 | 178.9 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | L268 L269 W274 G275 | L268-V271 PolarHBondContact O-N 2.86Å; L268-V271 VanDerWaalsContact O-N 3.16Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 3.41Å; V271-W274 PolarHBondContact O-N 2.95Å; V271-G275 PolarHBondContact O-N 3.35Å |
| 272 | C | 58.1 | Low | 56.5 | Low | 69 Ų | 69 | 115.3 Ų | 115.3 | 47% | 0.466 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.7 | -36.5 | 174.6 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | L268 W274 G275 L276 | L268-C272 PolarHBondContact O-N 2.76Å; C272-W274 VanDerWaalsContact C-N 3.29Å; C272-W274 PolarHBondContact O-N 3.05Å; C272-G275 PolarHBondContact O-N 3.2Å; C272-L276 WeakPolarHBondContact O-CB 3.49Å; C272-L276 PolarHBondContact O-N 3.42Å |
| 273 | A | 57.8 | Low | 56.2 | Low | 59 Ų | 59 | 117.2 Ų | 117.2 | 49% | 0.488 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.7 | -35.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L269 | L269-A273 WeakPolarHBondContact O-CB 3.43Å; L269-A273 PolarHBondContact O-N 2.75Å |
| 274 | W | 54.8 | Low | 55.6 | Low | 222 Ų | 222 | 120.9 Ų | 120.9 | 84% | 0.841 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.4 | -26.8 | 176.4 | -74.4 | 20 | 0 | 0 | 0 | 113.5 | P270 V271 C272 P278 | P270-W274 PolarHBondContact O-N 3.32Å; V271-W274 PolarHBondContact O-N 2.95Å; C272-W274 VanDerWaalsContact C-N 3.29Å; C272-W274 PolarHBondContact O-N 3.05Å; W274-P278 WeakPolarHBondContact O-CD 3.46Å |
| 275 | G | 54.4 | Low | 55.2 | Low | 48 Ų | 48 | 122.4 Ų | 122.4 | 50% | 0.495 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -82.3 | -26.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V271 C272 P278 | V271-G275 PolarHBondContact O-N 3.35Å; C272-G275 PolarHBondContact O-N 3.2Å; G275-P278 WeakPolarHBondContact O-CD 3.35Å |
| 276 | L | 49 | Very low | 54.6 | Low | 110 Ų | 110 | 124.5 Ų | 124.5 | 58% | 0.576 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -91.9 | -22.3 | -177.6 | -77.1 | 159.5 | 0 | 0 | 0 | 113.8 | C272 P278 Q279 | C272-L276 WeakPolarHBondContact O-CB 3.49Å; C272-L276 PolarHBondContact O-N 3.42Å; L276-P278 VanDerWaalsContact C-CD 3.41Å; L276-Q279 PolarHBondContact O-N 3.41Å |
| 277 | L | 47.1 | Very low | 54.2 | Low | 126 Ų | 126 | 124.9 Ų | 124.9 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -65.4 | -30.1 | 178.8 | -141.6 | 76.3 | 0 | 0 | 0 | 115.2 | Q279 | L277-Q279 VanDerWaalsContact C-N 3.31Å; L277-Q279 PolarHBondContact O-N 3.41Å |
| 278 | P | 48.9 | Very low | 53.8 | Low | 92 Ų | 92 | 125.4 Ų | 125.4 | 60% | 0.597 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -76.1 | -13.6 | 178.6 | -12.2 | 27.7 | 0 | 0 | 0 | 114.2 | W274 G275 L276 | W274-P278 WeakPolarHBondContact O-CD 3.46Å; G275-P278 WeakPolarHBondContact O-CD 3.35Å; L276-P278 VanDerWaalsContact C-CD 3.41Å |
| 279 | Q | 49.9 | Very low | 53.3 | Low | 159 Ų | 159 | 127.1 Ų | 127.1 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -95.2 | -11.3 | -175.4 | -69.6 | -158.1 | -16.3 | 0 | 0 | 114.5 | L276 L277 | L276-Q279 PolarHBondContact O-N 3.41Å; L277-Q279 VanDerWaalsContact C-N 3.31Å; L277-Q279 PolarHBondContact O-N 3.41Å |
| 280 | L | 52.4 | Low | 52.6 | Low | 156 Ų | 156 | 128.2 Ų | 128.2 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -99.4 | 2.6 | 178.7 | -85.1 | 156.7 | 0 | 0 | 0 | 114 | ||
| 281 | L | 49.8 | Very low | 51.9 | Low | 157 Ų | 157 | 132.8 Ų | 132.8 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | trans | -115.5 | 26.3 | -179.8 | -99.2 | 152.3 | 0 | 0 | 0 | 113.2 | ||||
| 282 | R | 40.5 | Very low | 51.2 | Low | 301 Ų | 301 | 136.3 Ų | 136.3 | 100% | 1.136 | 70% | 0.695 | S | S | * | * | trans | -122.7 | 0 | 171.1 | -155.5 | -178.8 | -160.7 | 178.7 | 5.9 | 111.8 |
Retrieved 282 of 282 residues in 48 ms
(Link to these results)