| 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 | 28.5 | Very low | 27 | Very low | 225 Ų | 225 | 133.5 Ų | 133.5 | 100% | 1.108 | 69% | 0.693 | S | S | * | * | 0 | 138.4 | 0 | -80 | 166.4 | 57.5 | 0 | 0 | 108 | |||||
| 2 | Q | 25.1 | Very low | 27 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | trans | 59.6 | 148.6 | 166.4 | -66.9 | 179.9 | -22.2 | 0 | 0 | 118.6 | ||||
| 3 | T | 33.6 | Very low | 26.7 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 54% | 0.54 | 72% | 0.715 | S | S | . | * | trans | 58.9 | 142.7 | 175.1 | 59.7 | 0 | 0 | 0 | 0 | 116.6 | A1104 | T3-A1104 HydrophobicContact CG2-CB 4.2Š| ||
| 4 | E | 28.7 | Very low | 26.7 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 43% | 0.425 | 72% | 0.717 | S | S | . | * | cis | -165.4 | 174 | -3.9 | -124.8 | 171.8 | -141.9 | 0 | 0 | 110.8 | ||||
| 5 | K | 27.4 | Very low | 26.6 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 60% | 0.6 | 73% | 0.727 | S | S | * | * | trans | 73.6 | 123.8 | 153.2 | -75.7 | 160.4 | 178.1 | 123.1 | 0 | 120.4 | ||||
| 6 | A | 26 | Very low | 26.6 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | 58 | 144.9 | 112.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 7 | D | 26.7 | Very low | 26.5 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | cis | -173.6 | 168.5 | -6.3 | -114.8 | -33.1 | 0 | 0 | 0 | 109.5 | ||||
| 8 | I | 26.1 | Very low | 26.3 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 65% | 0.651 | 73% | 0.732 | S | S | * | * | trans | 64.1 | 148.2 | 147 | -70.7 | 165.5 | 0 | 0 | 0 | 117.7 | ||||
| 9 | D | 24.7 | Very low | 26.4 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | cis | -161.3 | 170.9 | -31.1 | -111.4 | -33.3 | 0 | 0 | 0 | 109.3 | C1117 | D9-C1117 PolarHBondContact OD1-SG 3.28Š| ||
| 10 | G | 27.5 | Very low | 26.5 | Very low | 54 Ų | 54 | 136.8 Ų | 136.8 | 56% | 0.557 | 74% | 0.737 | S | S | * | * | trans | 123.8 | 107.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 11 | R | 22.6 | Very low | 26.4 | Very low | 229 Ų | 229 | 136.5 Ų | 136.5 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | cis | 76.9 | 71.9 | 21.4 | -152.7 | 178.3 | -168.8 | 122.3 | 6.1 | 115.7 | ||||
| 12 | A | 27.2 | Very low | 26.2 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | trans | -132.2 | 137.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 13 | N | 22.6 | Very low | 26.3 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | -93.4 | 131.1 | -178.2 | -63.8 | -24.8 | 0 | 0 | 0 | 111 | ||||
| 14 | A | 27.3 | Very low | 26 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | -161.7 | 49.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D16 | A14-D16 PolarHBondContact O-N 2.92Š| ||
| 15 | T | 24.7 | Very low | 25.8 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 87% | 0.865 | 74% | 0.735 | S | S | * | * | trans | 27 | 81.8 | 147 | 56.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 16 | D | 26.5 | Very low | 26 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -85.5 | 123.7 | 155.6 | -174.2 | -0.3 | 0 | 0 | 0 | 109.1 | A14 E18 | A14-D16 PolarHBondContact O-N 2.92Å; D16-E18 PolarHBondContact OD1-N 2.93Å | ||
| 17 | N | 24.9 | Very low | 26.2 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | -137.4 | 33.2 | 169.3 | -163.8 | 13.1 | 0 | 0 | 0 | 111.4 | ||||
| 18 | E | 23.7 | Very low | 26.5 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | trans | -104 | 96.6 | 165.2 | -81.6 | -132.9 | 124.6 | 0 | 0 | 110.3 | D16 | D16-E18 PolarHBondContact OD1-N 2.93Š| ||
| 19 | L | 27.5 | Very low | 27.1 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 63% | 0.628 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -174.1 | -2.1 | 142.7 | -103.8 | 160.8 | 0 | 0 | 0 | 117 | K22 | L19-K22 HydrophobicContact CD2-CD 3.96Š|
| 20 | K | 28.4 | Very low | 27.7 | Very low | 216 Ų | 216 | 138.6 Ų | 138.6 | 94% | 0.939 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -107.3 | 35.7 | 173.3 | -79.5 | -167.5 | 177.1 | 177.4 | 0 | 115.7 | ||
| 21 | N | 24.4 | Very low | 28.6 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -134.3 | 21.1 | 161.3 | -135.2 | -10.4 | 0 | 0 | 0 | 115.3 | S23 | N21-S23 PolarHBondContact O-N 3.05Š| ||
| 22 | K | 24.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 64% | 0.635 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 65.1 | 170.8 | -71.8 | -177.8 | -177.3 | 157.7 | 0 | 111.9 | L19 | L19-K22 HydrophobicContact CD2-CD 3.96Š|
| 23 | S | 27.1 | Very low | 31.8 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.9 | -30.7 | 168.3 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | N21 | N21-S23 PolarHBondContact O-N 3.05Š|
| 24 | A | 27.4 | Very low | 34.1 | Very low | 76 Ų | 76 | 122.7 Ų | 122.7 | 63% | 0.628 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | S26 | A24-S26 PolarHBondContact O-N 2.94Š|
| 25 | W | 25.6 | Very low | 36.4 | Very low | 230 Ų | 230 | 123.6 Ų | 123.6 | 87% | 0.871 | 60% | 0.604 | S | S | * | * | trans | -86.4 | 70.5 | -179.8 | -79.5 | -3.9 | 0 | 0 | 0 | 114.1 | ||||
| 26 | S | 30.7 | Very low | 39.1 | Very low | 66 Ų | 66 | 119.3 Ų | 119.3 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | trans | -147.3 | 80.3 | 140.9 | -141.3 | 0 | 0 | 0 | 0 | 112 | A24 R28 | A24-S26 PolarHBondContact O-N 2.94Å; S26-R28 PolarHBondContact O-N 3.47Å; S26-R28 WeakPolarHBondContact OG-CD 3.41Å; S26-R28 WeakPolarHBondContact OG-CG 3.43Å | ||
| 27 | N | 31.4 | Very low | 42.1 | Very low | 170 Ų | 170 | 113.4 Ų | 113.4 | 91% | 0.909 | 54% | 0.542 | S | S | * | . | trans | -72.4 | 38 | 167.5 | -124.7 | -18.8 | 0 | 0 | 0 | 112 | R29 | N27-R29 PolarHBondContact O-N 3.14Š| ||
| 28 | R | 31.5 | Very low | 45.2 | Very low | 126 Ų | 126 | 107.2 Ų | 107.2 | 48% | 0.475 | 51% | 0.507 | S | S | . | . | trans | -60.9 | 104.8 | 170 | -85.7 | 176.2 | 172.4 | 148.3 | -1.3 | 108 | S26 K30 K491 | S26-R28 PolarHBondContact O-N 3.47Å; S26-R28 WeakPolarHBondContact OG-CD 3.41Å; S26-R28 WeakPolarHBondContact OG-CG 3.43Å; R28-K30 WeakPolarHBondContact O-CG 3.43Å; R28-K30 PolarHBondContact O-N 3.41Å; R28-K491 VanDerWaalsContact NH2-CB 3.28Å | ||
| 29 | R | 39.8 | Very low | 48.4 | Very low | 179 Ų | 179 | 100.1 Ų | 100.1 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | trans | -44.7 | 96.3 | 177.2 | -63.7 | 179.6 | 177.5 | -169.9 | -2.8 | 110.7 | N27 R31 S248 | N27-R29 PolarHBondContact O-N 3.14Å; R29-R31 PolarHBondContact O-N 2.93Å; R29-S248 PolarHBondContact NH1-OG 2.93Å | ||
| 30 | K | 37.1 | Very low | 51.4 | Low | 129 Ų | 129 | 94.7 Ų | 94.7 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | trans | -72.5 | 87.1 | -175.7 | -66.6 | -173.7 | 178.8 | 177.8 | 0 | 109.5 | R28 S32 Y33 E395 | R28-K30 WeakPolarHBondContact O-CG 3.43Å; R28-K30 PolarHBondContact O-N 3.41Å; K30-S32 PolarHBondContact O-N 3.14Å; K30-Y33 WeakPolarHBondContact O-CB 3.33Å; K30-Y33 PolarHBondContact O-N 3.31Å; K30-E395 HydrophobicContact CD-CG 4.48Å; K30-E395 WeakPolarHBondContact CD-OE1 3.36Å; K30-E395 WeakPolarHBondContact CE-OE1 3.44Å; K30-E395 IonicContact NZ-OE1 3.54Å; K30-E395 PolarHBondContact NZ-OE1 2.92Å | ||
| 31 | R | 46.7 | Very low | 54.5 | Low | 71 Ų | 71 | 84.4 Ų | 84.4 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -15.6 | -168.1 | -83.1 | -177.5 | 163.1 | -153.7 | -9.1 | 116.8 | R29 Y33 F238 F240 E241 | R29-R31 PolarHBondContact O-N 2.93Å; R31-Y33 VanDerWaalsContact C-N 3.35Å; R31-F238 WeakPolarHBondContact O-CA 3.48Å; R31-F240 PolarHBondContact NH1-O 3.06Å; R31-F240 VanDerWaalsContact NH1-O 3.09Å; R31-E241 PolarHBondContact NH1-O 3.4Å; R31-E241 PolarHBondContact NH2-O 2.84Å; R31-E241 VanDerWaalsContact NH2-O 3.15Å |
| 32 | S | 54.5 | Low | 57.8 | Low | 35 Ų | 35 | 78.1 Ų | 78.1 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 29 | 170.1 | -171.6 | 0 | 0 | 0 | 0 | 113.9 | K30 R396 V397 | K30-S32 PolarHBondContact O-N 3.14Å; S32-R396 PolarHBondContact O-N 2.03Å; S32-V397 VanDerWaalsContact OG-CB 3.29Å; S32-V397 WeakPolarHBondContact OG-CB 3.39Å; S32-V397 VanDerWaalsContact OG-CG2 3.3Å; S32-V397 WeakPolarHBondContact OG-CG2 3.27Å; S32-V397 PolarHBondContact OG-N 2.95Å |
| 33 | Y | 62.1 | Low | 61.2 | Low | 97 Ų | 97 | 71.2 Ų | 71.2 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.5 | 177.7 | -172.2 | -75.3 | 0 | 0 | 0 | 109.7 | K30 R31 R35 F238 V393 E395 | K30-Y33 WeakPolarHBondContact O-CB 3.33Å; K30-Y33 PolarHBondContact O-N 3.31Å; R31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-R35 HydrophobicContact CD1-CG 3.99Å; Y33-R35 HydrophobicContact CE1-CG 4.36Å; Y33-R35 PolarHBondContact O-N 3.29Å; Y33-F238 VanDerWaalsContact O-CE1 3.28Å; Y33-F238 WeakPolarHBondContact O-CE1 3.38Å; Y33-V393 HydrophobicContact CE1-CG1 3.95Å; Y33-E395 HydrophobicContact CD2-CG 3.84Å |
| 34 | S | 71 | Confident | 64.4 | Low | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.6 | 172.3 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | C392 V393 G394 | S34-C392 WeakPolarHBondContact CB-O 3.21Å; S34-C392 PolarHBondContact OG-O 2.03Å; S34-V393 WeakPolarHBondContact O-CA 3.47Å; S34-V393 WeakPolarHBondContact O-CG1 3.39Å; S34-G394 PolarHBondContact N-O 3.3Å; S34-G394 PolarHBondContact O-N 2.87Å |
| 35 | R | 74.5 | Confident | 67.6 | Low | 111 Ų | 111 | 62.5 Ų | 62.5 | 42% | 0.419 | 27% | 0.272 | S | S | . | . | trans | -115.6 | 157.7 | 177.4 | -70.2 | -178.3 | 167 | -155.9 | -9.1 | 110.4 | Y33 Y37 | Y33-R35 HydrophobicContact CD1-CG 3.99Å; Y33-R35 HydrophobicContact CE1-CG 4.36Å; Y33-R35 PolarHBondContact O-N 3.29Å; R35-Y37 HydrophobicContact CB-CD2 4.11Å; R35-Y37 HydrophobicContact CB-CE2 3.64Å | ||
| 36 | E | 83 | Confident | 70.7 | Confident | 50 Ų | 50 | 52 Ų | 52 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.1 | 161.5 | -167.5 | 163.6 | -154.2 | 0 | 0 | 108.3 | F38 S80 K390 V393 | E36-F38 HydrophobicContact CB-CE2 4.44Å; E36-F38 HydrophobicContact CB-CZ 4.43Å; E36-F38 HydrophobicContact CG-CE1 4.13Å; E36-F38 HydrophobicContact CG-CE2 3.98Å; E36-F38 HydrophobicContact CG-CZ 3.62Å; E36-S80 WeakPolarHBondContact CA-O 3.21Å; E36-K390 WeakPolarHBondContact OE1-CE 3.45Å; E36-K390 IonicContact OE1-NZ 2.73Å; E36-K390 PolarHBondContact OE1-NZ 3.49Å; E36-K390 IonicContact OE2-NZ 3.39Å; E36-K390 PolarHBondContact OE2-NZ 3.31Å; E36-V393 HydrophobicContact CB-CG2 4.13Å |
| 37 | Y | 88.4 | Confident | 73.4 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.5 | 178.5 | -72.1 | -93.5 | 0 | 0 | 0 | 109.2 | R35 S80 L81 S82 L236 F238 A251 M254 L255 | R35-Y37 HydrophobicContact CB-CD2 4.11Å; R35-Y37 HydrophobicContact CB-CE2 3.64Å; Y37-S80 PolarHBondContact N-O 2.68Å; Y37-L81 HydrophobicContact CG-CD2 4.49Å; Y37-L81 CarbonylContact O-C 3.52Å; Y37-L81 WeakPolarHBondContact O-CA 3.13Å; Y37-S82 PolarHBondContact O-N 3.25Å; Y37-L236 HydrophobicContact CD1-CD2 4.14Å; Y37-L236 HydrophobicContact CD2-CD1 4.17Å; Y37-L236 HydrophobicContact CD2-CD2 4.43Å; Y37-L236 HydrophobicContact CE1-CD2 3.95Å; Y37-L236 HydrophobicContact CE2-CB 4.3Å; Y37-L236 HydrophobicContact CE2-CD1 4.03Å; Y37-L236 HydrophobicContact CE2-CD2 4.26Å; Y37-L236 HydrophobicContact CE2-CG 4.43Å; Y37-L236 HydrophobicContact CG-CD2 4.37Å; Y37-L236 PolarHBondContact OH-O 2.76Å; Y37-F238 HydrophobicContact CD2-CZ 4.49Å; Y37-F238 HydrophobicContact CE2-CE1 4.04Å; Y37-F238 AromaticContact CE2-CZ 3.66Å; Y37-F238 HydrophobicContact CE2-CZ 3.66Å; Y37-A251 HydrophobicContact CE1-CB 4.36Å; Y37-M254 CarbonylContact C-O 3.54Å; Y37-M254 WeakPolarHBondContact CA-O 3.4Å; Y37-M254 HydrophobicContact CD1-CB 3.82Å; Y37-M254 WeakPolarHBondContact CD1-O 3.47Å; Y37-L255 HydrophobicContact CD1-CD2 3.79Å; Y37-L255 HydrophobicContact CD1-CG 4.49Å; Y37-L255 HydrophobicContact CE1-CD2 3.51Å; Y37-L255 HydrophobicContact CE1-CG 4.26Å |
| 38 | F | 89.6 | Confident | 76.1 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 152.3 | 178.3 | -53.9 | -88.2 | 0 | 0 | 0 | 108.5 | E36 S82 H84 M254 D256 K257 | E36-F38 HydrophobicContact CB-CE2 4.44Å; E36-F38 HydrophobicContact CB-CZ 4.43Å; E36-F38 HydrophobicContact CG-CE1 4.13Å; E36-F38 HydrophobicContact CG-CE2 3.98Å; E36-F38 HydrophobicContact CG-CZ 3.62Å; F38-S82 CarbonylContact C-O 3.59Å; F38-S82 WeakPolarHBondContact CA-O 3.08Å; F38-H84 AromaticContact CD1-CD2 3.93Å; F38-H84 AromaticContact CD1-NE2 3.63Å; F38-M254 PolarHBondContact N-O 2.88Å; F38-M254 WeakPolarHBondContact O-CA 3.45Å; F38-M254 WeakPolarHBondContact O-CB 3.3Å; F38-M254 VanDerWaalsContact O-CG 3.23Å; F38-M254 WeakPolarHBondContact O-CG 3.04Å; F38-D256 WeakPolarHBondContact CD2-O 3.39Å; F38-K257 HydrophobicContact CD1-CG 4.16Å; F38-K257 HydrophobicContact CD2-CB 4.24Å; F38-K257 HydrophobicContact CE1-CD 4.45Å; F38-K257 HydrophobicContact CE1-CG 4.12Å; F38-K257 HydrophobicContact CE2-CB 4.3Å; F38-K257 HydrophobicContact CE2-CG 4.49Å; F38-K257 HydrophobicContact CG-CB 4.42Å; F38-K257 HydrophobicContact CG-CG 4.38Å; F38-K257 HydrophobicContact CZ-CD 4.43Å; F38-K257 HydrophobicContact CZ-CG 4.28Å |
| 39 | V | 91.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 112.8 | 177 | -174.1 | 0 | 0 | 0 | 0 | 109 | L41 L81 S82 I83 H84 D130 V131 M158 F187 M254 | V39-L41 PolarHBondContact O-N 3.31Å; V39-L81 HydrophobicContact CG2-CD2 4.18Å; V39-S82 PolarHBondContact N-O 2.03Å; V39-I83 HydrophobicContact CB-CD1 3.8Å; V39-I83 HydrophobicContact CG1-CD1 4.29Å; V39-I83 HydrophobicContact CG2-CD1 3.74Å; V39-H84 PolarHBondContact O-N 3.44Å; V39-D130 VanDerWaalsContact CA-OD2 3.28Å; V39-D130 WeakPolarHBondContact CA-OD2 3.05Å; V39-D130 HydrophobicContact CG1-CB 4.48Å; V39-V131 HydrophobicContact CG1-CG1 3.63Å; V39-M158 HydrophobicContact CG1-CE 3.98Å; V39-M158 HydrophobicContact CG1-SD 4.36Å; V39-F187 HydrophobicContact CG2-CZ 3.96Å; V39-M254 HydrophobicContact CG2-CG 4.39Å; V39-M254 HydrophobicContact CG2-SD 3.91Å |
| 40 | E | 91.7 | Very high | 81 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 106.3 | 176.1 | -65.7 | -148.1 | 140.2 | 0 | 0 | 111.3 | V86 H128 D130 V131 P258 | E40-V86 HydrophobicContact CB-CG1 3.97Å; E40-V86 HydrophobicContact CB-CG2 4.13Å; E40-V86 HydrophobicContact CG-CG1 3.91Å; E40-V86 WeakPolarHBondContact OE1-CG1 3.28Å; E40-H128 IonicContact OE2-CD2 3.61Å; E40-D130 HydrophobicContact CB-CB 4.39Å; E40-D130 PolarHBondContact N-OD2 2.81Å; E40-D130 PolarHBondContact O-N 3.17Å; E40-V131 PolarHBondContact O-N 3.07Å; E40-P258 HydrophobicContact CG-CB 4.33Å; E40-P258 WeakPolarHBondContact OE1-CA 3.05Å; E40-P258 WeakPolarHBondContact OE1-CB 3.28Å |
| 41 | L | 93.4 | Very high | 83.3 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121 | -175.7 | 179 | 64.2 | 0 | 0 | 0 | 111.7 | V39 V43 L65 I83 H84 V86 V131 V133 | V39-L41 PolarHBondContact O-N 3.31Å; L41-V43 HydrophobicContact CD1-CG2 4.26Å; L41-V43 HydrophobicContact CD2-CG2 3.79Å; L41-V43 HydrophobicContact CG-CG2 3.77Å; L41-L65 HydrophobicContact CD2-CD2 3.57Å; L41-I83 HydrophobicContact CB-CG2 4.26Å; L41-I83 HydrophobicContact CD2-CG2 3.9Å; L41-H84 PolarHBondContact N-O 3.1Å; L41-V86 WeakPolarHBondContact O-CG2 3.47Å; L41-V86 PolarHBondContact O-N 2.84Å; L41-V86 VanDerWaalsContact O-N 3.11Å; L41-V131 HydrophobicContact CD1-CG1 3.9Å; L41-V133 HydrophobicContact CD1-CB 4.11Å; L41-V133 HydrophobicContact CD1-CG2 3.74Å |
| 42 | L | 94 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 128.1 | 158.8 | 165.3 | 64.7 | 0 | 0 | 0 | 109.3 | V44 K87 L89 Q115 I118 H129 V131 A132 V133 | L42-V44 HydrophobicContact CD1-CG2 3.95Å; L42-V44 HydrophobicContact CD2-CG2 4Å; L42-V44 HydrophobicContact CG-CG2 3.84Å; L42-K87 WeakPolarHBondContact CA-O 3.38Å; L42-K87 HydrophobicContact CD1-CB 3.86Å; L42-K87 HydrophobicContact CD1-CD 4.36Å; L42-K87 HydrophobicContact CD1-CG 3.85Å; L42-L89 HydrophobicContact CD1-CD1 3.89Å; L42-L89 HydrophobicContact CD1-CG 3.93Å; L42-Q115 HydrophobicContact CD2-CB 4.39Å; L42-I118 HydrophobicContact CD2-CD1 4.05Å; L42-H129 HydrophobicContact CB-CB 3.81Å; L42-H129 VanDerWaalsContact CB-CG 3.49Å; L42-H129 WeakPolarHBondContact CD2-CE1 3.28Å; L42-V131 PolarHBondContact N-O 2.86Å; L42-A132 HydrophobicContact CB-CB 4.31Å; L42-A132 HydrophobicContact CD2-CB 4.02Å; L42-A132 HydrophobicContact CG-CB 4.33Å; L42-A132 CarbonylContact O-C 3.58Å; L42-A132 WeakPolarHBondContact O-CA 3.17Å; L42-V133 PolarHBondContact O-N 3.16Å |
| 43 | V | 94.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.3 | 167 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | L41 V61 L65 L85 K87 L88 L89 V133 L135 | L41-V43 HydrophobicContact CD1-CG2 4.26Å; L41-V43 HydrophobicContact CD2-CG2 3.79Å; L41-V43 HydrophobicContact CG-CG2 3.77Å; V43-V61 HydrophobicContact CB-CG1 4.48Å; V43-V61 HydrophobicContact CG1-CG1 3.79Å; V43-L65 HydrophobicContact CG2-CD1 3.88Å; V43-L65 HydrophobicContact CG2-CD2 4.09Å; V43-L85 HydrophobicContact CB-CD1 4.1Å; V43-L85 HydrophobicContact CG2-CD1 3.92Å; V43-K87 PolarHBondContact N-O 2.77Å; V43-L88 HydrophobicContact CB-CD1 4.06Å; V43-L88 HydrophobicContact CG1-CD1 4.02Å; V43-L88 CarbonylContact O-C 3.57Å; V43-L88 WeakPolarHBondContact O-CA 3.43Å; V43-L89 PolarHBondContact O-N 2.91Å; V43-V133 CarbonylContact C-O 3.46Å; V43-V133 WeakPolarHBondContact CA-O 3.46Å; V43-V133 HydrophobicContact CG2-CB 4.31Å; V43-L135 HydrophobicContact CG1-CD1 3.8Å; V43-L135 HydrophobicContact CG1-CG 4.42Å |
| 44 | V | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.8 | -178.1 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | L42 L89 V91 F111 W114 V133 L134 L135 | L42-V44 HydrophobicContact CD1-CG2 3.95Å; L42-V44 HydrophobicContact CD2-CG2 4Å; L42-V44 HydrophobicContact CG-CG2 3.84Å; V44-L89 CarbonylContact C-O 3.56Å; V44-L89 WeakPolarHBondContact CA-O 3.49Å; V44-L89 HydrophobicContact CG1-CB 4.44Å; V44-L89 HydrophobicContact CG2-CB 4.41Å; V44-V91 HydrophobicContact CG1-CG2 4.18Å; V44-F111 HydrophobicContact CB-CE2 4.17Å; V44-F111 HydrophobicContact CG2-CE2 3.87Å; V44-F111 HydrophobicContact CG2-CZ 4.19Å; V44-W114 HydrophobicContact CG1-CH2 4.08Å; V44-W114 HydrophobicContact CG1-CZ3 4.03Å; V44-W114 HydrophobicContact CG2-CH2 4.5Å; V44-W114 HydrophobicContact CG2-CZ3 3.92Å; V44-V133 PolarHBondContact N-O 2.84Å; V44-L134 HydrophobicContact CB-CD1 4.08Å; V44-L134 HydrophobicContact CG1-CD1 3.98Å; V44-L135 PolarHBondContact O-N 2.73Å |
| 45 | T | 93.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.5 | 177 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | M49 L57 V61 L89 I90 V91 L135 | T45-M49 HydrophobicContact CG2-CB 4.35Å; T45-M49 HydrophobicContact CG2-CE 4.25Å; T45-M49 HydrophobicContact CG2-CG 4.25Å; T45-L57 HydrophobicContact CG2-CD1 4.2Å; T45-V61 HydrophobicContact CG2-CG2 3.77Å; T45-L89 PolarHBondContact N-O 3.02Å; T45-L89 PolarHBondContact OG1-O 2.83Å; T45-L89 VanDerWaalsContact OG1-O 3.13Å; T45-I90 WeakPolarHBondContact OG1-CA 3.37Å; T45-I90 WeakPolarHBondContact OG1-CG1 3.29Å; T45-V91 VanDerWaalsContact O-CB 3.32Å; T45-V91 WeakPolarHBondContact O-CB 3.29Å; T45-V91 WeakPolarHBondContact O-CG2 3.48Å; T45-V91 PolarHBondContact O-N 3.12Å; T45-L135 WeakPolarHBondContact CA-O 3.37Å; T45-L135 HydrophobicContact CG2-CB 4.03Å; T45-L135 HydrophobicContact CG2-CD1 4.44Å |
| 46 | D | 91.2 | Very high | 88 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | trans | -84.2 | -179.9 | -177.9 | 81.8 | -13.6 | 0 | 0 | 0 | 114.1 | R48 M49 R50 I100 L135 T136 | D46-R48 PolarHBondContact O-N 3.34Å; D46-R48 WeakPolarHBondContact OD1-CA 3.3Å; D46-R48 WeakPolarHBondContact OD1-CB 3.29Å; D46-R48 PolarHBondContact OD1-N 3.42Å; D46-M49 WeakPolarHBondContact OD1-CG 3.39Å; D46-M49 PolarHBondContact OD1-N 2.03Å; D46-R50 PolarHBondContact O-N 3.35Å; D46-I100 HydrophobicContact CB-CD1 3.53Å; D46-L135 PolarHBondContact N-O 2.89Å; D46-T136 WeakPolarHBondContact OD2-CB 3.39Å; D46-T136 PolarHBondContact OD2-OG1 2.86Å | ||
| 47 | T | 87.1 | Confident | 88.2 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -29.4 | 176.1 | 48.5 | 0 | 0 | 0 | 0 | 113 | R50 H51 V91 E94 | T47-R50 PolarHBondContact O-N 3.23Å; T47-H51 WeakPolarHBondContact O-CB 3.45Å; T47-H51 PolarHBondContact O-N 3Å; T47-V91 HydrophobicContact CG2-CG1 4.36Å; T47-E94 HydrophobicContact CG2-CG 3.86Å |
| 48 | R | 88.2 | Confident | 88 | Confident | 109 Ų | 109 | 50.4 Ų | 50.4 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.6 | -43.8 | -178.8 | -58 | -174.2 | 173.1 | -163.4 | 1.8 | 111.4 | D46 R50 H51 Y52 R137 H138 | D46-R48 PolarHBondContact O-N 3.34Å; D46-R48 WeakPolarHBondContact OD1-CA 3.3Å; D46-R48 WeakPolarHBondContact OD1-CB 3.29Å; D46-R48 PolarHBondContact OD1-N 3.42Å; R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 PolarHBondContact O-N 3.08Å; R48-H51 PolarHBondContact O-N 3.01Å; R48-Y52 WeakPolarHBondContact O-CB 3.41Å; R48-Y52 PolarHBondContact O-N 3.28Å; R48-R137 HydrophobicContact CB-CB 3.93Å; R48-R137 VanDerWaalsContact CD-O 3.23Å; R48-R137 WeakPolarHBondContact CD-O 3.2Å; R48-R137 PolarHBondContact NH1-O 3.24Å; R48-H138 PolarHBondContact NH1-ND1 3.48Å; R48-H138 PolarHBondContact NH2-ND1 3.24Å |
| 49 | M | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -50.8 | -48.9 | 168.7 | -72 | -63.1 | -69.8 | 0 | 0 | 110.8 | T45 D46 Y52 H53 L57 Y60 L135 R137 D170 | T45-M49 HydrophobicContact CG2-CB 4.35Å; T45-M49 HydrophobicContact CG2-CE 4.25Å; T45-M49 HydrophobicContact CG2-CG 4.25Å; D46-M49 WeakPolarHBondContact OD1-CG 3.39Å; D46-M49 PolarHBondContact OD1-N 2.03Å; M49-Y52 PolarHBondContact O-N 2.88Å; M49-H53 WeakPolarHBondContact O-CB 3.16Å; M49-H53 PolarHBondContact O-CD2 3.14Å; M49-H53 PolarHBondContact O-N 2.85Å; M49-L57 HydrophobicContact CB-CD1 3.97Å; M49-L57 HydrophobicContact CB-CD2 4.33Å; M49-L57 HydrophobicContact CE-CD1 3.82Å; M49-Y60 HydrophobicContact CE-CD1 4.32Å; M49-Y60 HydrophobicContact CE-CE1 4.14Å; M49-L135 HydrophobicContact CE-CB 4.12Å; M49-L135 WeakPolarHBondContact CG-O 3.26Å; M49-L135 HydrophobicContact SD-CB 4.45Å; M49-R137 HydrophobicContact SD-CG 3.84Å; M49-D170 HydrophobicContact CE-CB 3.87Å; M49-D170 HydrophobicContact SD-CB 3.36Å; M49-D170 WeakPolarHBondContact SD-CB 3.47Å; M49-D170 VanDerWaalsContact SD-OD2 3.42Å |
| 50 | R | 85.4 | Confident | 87.4 | Confident | 100 Ų | 100 | 53.3 Ų | 53.3 | 38% | 0.377 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.8 | -39.1 | 179.2 | -167 | -167.9 | -176.7 | 121.6 | -23.4 | 113.2 | D46 T47 R48 Y52 R54 L57 I90 D92 | D46-R50 PolarHBondContact O-N 3.35Å; T47-R50 PolarHBondContact O-N 3.23Å; R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 PolarHBondContact O-N 3.08Å; R50-Y52 VanDerWaalsContact C-N 3.33Å; R50-R54 VanDerWaalsContact O-CA 3.24Å; R50-R54 WeakPolarHBondContact O-CA 3.44Å; R50-R54 PolarHBondContact O-N 2.95Å; R50-L57 HydrophobicContact CB-CD2 4.07Å; R50-L57 HydrophobicContact CG-CD2 4.44Å; R50-I90 HydrophobicContact CB-CG2 4.32Å; R50-I90 HydrophobicContact CG-CG2 4.21Å; R50-D92 IonicContact CZ-OD1 3Å; R50-D92 IonicContact NH1-OD1 2.6Å; R50-D92 PolarHBondContact NH1-OD1 3.43Å; R50-D92 IonicContact NH2-OD1 3.94Å; R50-D92 PolarHBondContact NH2-OD1 2.86Å |
| 51 | H | 84.4 | Confident | 87.3 | Confident | 149 Ų | 149 | 53 Ų | 53 | 69% | 0.69 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.5 | -38.8 | 177.1 | -170.5 | 86.3 | 0 | 0 | 0 | 111.9 | T47 R48 R54 | T47-H51 WeakPolarHBondContact O-CB 3.45Å; T47-H51 PolarHBondContact O-N 3Å; R48-H51 PolarHBondContact O-N 3.01Å; H51-R54 WeakPolarHBondContact O-CG 3.39Å |
| 52 | Y | 84.3 | Confident | 87 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.3 | -58.3 | -179.9 | -164 | -100.2 | 0 | 0 | 0 | 112.2 | R48 M49 R50 R137 Q284 F285 | R48-Y52 WeakPolarHBondContact O-CB 3.41Å; R48-Y52 PolarHBondContact O-N 3.28Å; M49-Y52 PolarHBondContact O-N 2.88Å; R50-Y52 VanDerWaalsContact C-N 3.33Å; Y52-R137 PolarHBondContact OH-NH2 2.91Å; Y52-Q284 PolarHBondContact OH-O 3.48Å; Y52-F285 HydrophobicContact CE1-CD1 4.26Å |
| 53 | H | 82.8 | Confident | 86.4 | Confident | 16 Ų | 16 | 54 Ų | 54 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -83.5 | -13.6 | -173.8 | -65.6 | -73 | 0 | 0 | 0 | 114.4 | M49 H55 N56 L57 Y60 D170 | M49-H53 WeakPolarHBondContact O-CB 3.16Å; M49-H53 PolarHBondContact O-CD2 3.14Å; M49-H53 PolarHBondContact O-N 2.85Å; H53-H55 PolarHBondContact O-N 3.01Å; H53-N56 PolarHBondContact O-N 3.01Å; H53-L57 HydrophobicContact CB-CB 3.83Å; H53-L57 HydrophobicContact CB-CD1 3.98Å; H53-Y60 AromaticContact CE1-CD1 3.53Å; H53-Y60 AromaticContact CE1-CD2 3.83Å; H53-Y60 AromaticContact CE1-CE1 3.39Å; H53-Y60 WeakPolarHBondContact CE1-CE1 3.33Å; H53-Y60 AromaticContact CE1-CE2 3.7Å; H53-Y60 AromaticContact CE1-CG 3.73Å; H53-Y60 AromaticContact CE1-CZ 3.47Å; H53-Y60 VanDerWaalsContact CE1-CZ 3.47Å; H53-Y60 AromaticContact ND1-CD1 3.95Å; H53-Y60 AromaticContact ND1-CG 3.85Å; H53-Y60 AromaticContact NE2-CD1 3.59Å; H53-Y60 AromaticContact NE2-CE1 3.33Å; H53-Y60 VanDerWaalsContact NE2-CE1 3.33Å; H53-Y60 WeakPolarHBondContact NE2-CE1 3.46Å; H53-Y60 AromaticContact NE2-CZ 3.81Å; H53-D170 IonicContact CD2-OD2 3.14Å; H53-D170 IonicContact CE1-OD2 2.73Å; H53-D170 IonicContact NE2-OD2 3Å; H53-D170 PolarHBondContact NE2-OD2 3.21Å |
| 54 | R | 83 | Confident | 86.1 | Confident | 180 Ų | 180 | 54 Ų | 54 | 68% | 0.679 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | 50.4 | -118.5 | 176.8 | -56.3 | -179.2 | -178.3 | -177.1 | 1.1 | 112.3 | R50 H51 N56 | R50-R54 VanDerWaalsContact O-CA 3.24Å; R50-R54 WeakPolarHBondContact O-CA 3.44Å; R50-R54 PolarHBondContact O-N 2.95Å; H51-R54 WeakPolarHBondContact O-CG 3.39Å; R54-N56 VanDerWaalsContact C-N 3.31Å; R54-N56 PolarHBondContact O-N 2.99Å |
| 55 | H | 77.6 | Confident | 85.9 | Confident | 191 Ų | 191 | 54.2 Ų | 54.2 | 88% | 0.884 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -75.5 | -16.1 | -178.7 | -58.7 | -64.6 | 0 | 0 | 0 | 113.7 | H53 | H53-H55 PolarHBondContact O-N 3.01Š|
| 56 | N | 80 | Confident | 85.4 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -95.6 | 2.9 | -175.9 | -151.7 | 33.5 | 0 | 0 | 0 | 113.3 | H53 R54 E58 N59 Y60 F277 | H53-N56 PolarHBondContact O-N 3.01Å; R54-N56 VanDerWaalsContact C-N 3.31Å; R54-N56 PolarHBondContact O-N 2.99Å; N56-E58 PolarHBondContact O-N 2.9Å; N56-N59 PolarHBondContact O-N 2.96Å; N56-N59 WeakPolarHBondContact OD1-CB 3.22Å; N56-N59 PolarHBondContact OD1-ND2 3.05Å; N56-Y60 VanDerWaalsContact O-CB 3.32Å; N56-Y60 WeakPolarHBondContact O-CB 3.08Å; N56-Y60 PolarHBondContact O-N 3.45Å; N56-F277 VanDerWaalsContact ND2-CE1 3.3Å; N56-F277 WeakPolarHBondContact ND2-CE1 3.15Å |
| 57 | L | 87.5 | Confident | 85 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -43 | -176.7 | 178.3 | 61.5 | 0 | 0 | 0 | 113.1 | T45 M49 R50 H53 Y60 V61 I90 | T45-L57 HydrophobicContact CG2-CD1 4.2Å; M49-L57 HydrophobicContact CB-CD1 3.97Å; M49-L57 HydrophobicContact CB-CD2 4.33Å; M49-L57 HydrophobicContact CE-CD1 3.82Å; R50-L57 HydrophobicContact CB-CD2 4.07Å; R50-L57 HydrophobicContact CG-CD2 4.44Å; H53-L57 HydrophobicContact CB-CB 3.83Å; H53-L57 HydrophobicContact CB-CD1 3.98Å; L57-Y60 PolarHBondContact O-N 2.94Å; L57-V61 HydrophobicContact CD1-CG2 3.98Å; L57-V61 HydrophobicContact CG-CG2 4.49Å; L57-V61 WeakPolarHBondContact O-CG2 3.43Å; L57-V61 PolarHBondContact O-N 2.04Å; L57-I90 HydrophobicContact CD2-CD1 4.14Å; L57-I90 HydrophobicContact CD2-CG1 4.21Å; L57-I90 HydrophobicContact CD2-CG2 3.66Å |
| 58 | E | 84.2 | Confident | 85.1 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -48.6 | -179.2 | -175.7 | 167.9 | -177.3 | 0 | 0 | 111 | N56 Y60 V61 L62 L88 | N56-E58 PolarHBondContact O-N 2.9Å; E58-Y60 VanDerWaalsContact C-N 3.31Å; E58-Y60 PolarHBondContact O-N 3.07Å; E58-V61 PolarHBondContact O-N 2.96Å; E58-L62 HydrophobicContact CG-CD1 4.06Å; E58-L62 WeakPolarHBondContact O-CB 3.48Å; E58-L62 VanDerWaalsContact O-CG 3.27Å; E58-L62 WeakPolarHBondContact O-CG 3.42Å; E58-L62 PolarHBondContact O-N 2.95Å; E58-L88 HydrophobicContact CG-CD2 4.08Å |
| 59 | N | 81.8 | Confident | 85 | Confident | 89 Ų | 89 | 48.7 Ų | 48.7 | 48% | 0.476 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58 | -43.4 | 173.4 | -64.5 | -25.2 | 0 | 0 | 0 | 111.9 | N56 L62 T63 | N56-N59 PolarHBondContact O-N 2.96Å; N56-N59 WeakPolarHBondContact OD1-CB 3.22Å; N56-N59 PolarHBondContact OD1-ND2 3.05Å; N59-L62 PolarHBondContact O-N 2.76Å; N59-T63 VanDerWaalsContact O-CB 3.3Å; N59-T63 WeakPolarHBondContact O-CB 3.33Å; N59-T63 PolarHBondContact O-N 3.07Å; N59-T63 PolarHBondContact O-OG1 2.79Å |
| 60 | Y | 86.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -49.6 | 179.5 | -179.4 | -103.5 | 0 | 0 | 0 | 111.8 | M49 H53 N56 L57 E58 T63 L64 D170 G172 L173 F277 F285 | M49-Y60 HydrophobicContact CE-CD1 4.32Å; M49-Y60 HydrophobicContact CE-CE1 4.14Å; H53-Y60 AromaticContact CE1-CD1 3.53Å; H53-Y60 AromaticContact CE1-CD2 3.83Å; H53-Y60 AromaticContact CE1-CE1 3.39Å; H53-Y60 WeakPolarHBondContact CE1-CE1 3.33Å; H53-Y60 AromaticContact CE1-CE2 3.7Å; H53-Y60 AromaticContact CE1-CG 3.73Å; H53-Y60 AromaticContact CE1-CZ 3.47Å; H53-Y60 VanDerWaalsContact CE1-CZ 3.47Å; H53-Y60 AromaticContact ND1-CD1 3.95Å; H53-Y60 AromaticContact ND1-CG 3.85Å; H53-Y60 AromaticContact NE2-CD1 3.59Å; H53-Y60 AromaticContact NE2-CE1 3.33Å; H53-Y60 VanDerWaalsContact NE2-CE1 3.33Å; H53-Y60 WeakPolarHBondContact NE2-CE1 3.46Å; H53-Y60 AromaticContact NE2-CZ 3.81Å; N56-Y60 VanDerWaalsContact O-CB 3.32Å; N56-Y60 WeakPolarHBondContact O-CB 3.08Å; N56-Y60 PolarHBondContact O-N 3.45Å; L57-Y60 PolarHBondContact O-N 2.94Å; E58-Y60 VanDerWaalsContact C-N 3.31Å; E58-Y60 PolarHBondContact O-N 3.07Å; Y60-T63 WeakPolarHBondContact O-CB 3.5Å; Y60-T63 PolarHBondContact O-N 3.06Å; Y60-T63 VanDerWaalsContact O-N 3.14Å; Y60-L64 HydrophobicContact CD1-CD1 4.29Å; Y60-L64 HydrophobicContact CE1-CD1 3.8Å; Y60-L64 HydrophobicContact CE1-CG 4.26Å; Y60-L64 PolarHBondContact O-N 3.13Å; Y60-D170 WeakPolarHBondContact CE1-OD1 3.33Å; Y60-D170 PolarHBondContact OH-OD1 2.97Å; Y60-G172 WeakPolarHBondContact OH-CA 3.44Å; Y60-G172 PolarHBondContact OH-N 3.01Å; Y60-G172 PolarHBondContact OH-O 2.78Å; Y60-G172 VanDerWaalsContact OH-O 3.12Å; Y60-L173 HydrophobicContact CD2-CD2 4.15Å; Y60-L173 HydrophobicContact CE2-CD2 3.75Å; Y60-F277 HydrophobicContact CD2-CE2 4.42Å; Y60-F277 HydrophobicContact CD2-CZ 4.02Å; Y60-F285 HydrophobicContact CE2-CD2 4.22Å; Y60-F285 HydrophobicContact CE2-CE2 4.29Å |
| 61 | V | 89.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | V43 T45 L57 E58 T63 L64 L65 L88 L135 | V43-V61 HydrophobicContact CB-CG1 4.48Å; V43-V61 HydrophobicContact CG1-CG1 3.79Å; T45-V61 HydrophobicContact CG2-CG2 3.77Å; L57-V61 HydrophobicContact CD1-CG2 3.98Å; L57-V61 HydrophobicContact CG-CG2 4.49Å; L57-V61 WeakPolarHBondContact O-CG2 3.43Å; L57-V61 PolarHBondContact O-N 2.04Å; E58-V61 PolarHBondContact O-N 2.96Å; V61-T63 PolarHBondContact O-N 3.2Å; V61-L64 PolarHBondContact O-N 2.57Å; V61-L65 HydrophobicContact CG1-CD1 3.86Å; V61-L65 HydrophobicContact CG1-CG 4.41Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.05Å; V61-L65 PolarHBondContact O-N 2.96Å; V61-L88 HydrophobicContact CG1-CD1 3.85Å; V61-L88 HydrophobicContact CG1-CD2 4.4Å; V61-L135 HydrophobicContact CG1-CD1 4.31Å; V61-L135 HydrophobicContact CG2-CD1 4.16Å |
| 62 | L | 85.7 | Confident | 85 | Confident | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.9 | -32.6 | 174.8 | -70.4 | 170 | 0 | 0 | 0 | 112.2 | E58 N59 L65 S66 L85 Y263 M266 | E58-L62 HydrophobicContact CG-CD1 4.06Å; E58-L62 WeakPolarHBondContact O-CB 3.48Å; E58-L62 VanDerWaalsContact O-CG 3.27Å; E58-L62 WeakPolarHBondContact O-CG 3.42Å; E58-L62 PolarHBondContact O-N 2.95Å; N59-L62 PolarHBondContact O-N 2.76Å; L62-L65 PolarHBondContact O-N 3.11Å; L62-S66 PolarHBondContact O-N 3.19Å; L62-L85 HydrophobicContact CD2-CD2 3.59Å; L62-Y263 HydrophobicContact CD2-CD1 4.11Å; L62-M266 HydrophobicContact CD1-SD 3.9Å |
| 63 | T | 83.4 | Confident | 85 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73 | -39.4 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | N59 Y60 V61 L65 S66 I67 L173 P273 F277 | N59-T63 VanDerWaalsContact O-CB 3.3Å; N59-T63 WeakPolarHBondContact O-CB 3.33Å; N59-T63 PolarHBondContact O-N 3.07Å; N59-T63 PolarHBondContact O-OG1 2.79Å; Y60-T63 WeakPolarHBondContact O-CB 3.5Å; Y60-T63 PolarHBondContact O-N 3.06Å; Y60-T63 VanDerWaalsContact O-N 3.14Å; V61-T63 PolarHBondContact O-N 3.2Å; T63-L65 VanDerWaalsContact C-N 3.26Å; T63-L65 PolarHBondContact O-N 2.66Å; T63-S66 PolarHBondContact O-OG 3.27Å; T63-I67 WeakPolarHBondContact O-CG1 3.32Å; T63-I67 PolarHBondContact O-N 3.24Å; T63-L173 HydrophobicContact CG2-CD2 4.09Å; T63-P273 HydrophobicContact CG2-CB 3.39Å; T63-P273 HydrophobicContact CG2-CG 3.71Å; T63-F277 HydrophobicContact CG2-CD2 4.1Å; T63-F277 HydrophobicContact CG2-CE2 3.93Å |
| 64 | L | 88.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 170.2 | -63.3 | -179.9 | 0 | 0 | 0 | 110.7 | Y60 V61 I67 V68 L135 L173 A175 A176 I179 | Y60-L64 HydrophobicContact CD1-CD1 4.29Å; Y60-L64 HydrophobicContact CE1-CD1 3.8Å; Y60-L64 HydrophobicContact CE1-CG 4.26Å; Y60-L64 PolarHBondContact O-N 3.13Å; V61-L64 PolarHBondContact O-N 2.57Å; L64-I67 WeakPolarHBondContact O-CB 3.27Å; L64-I67 PolarHBondContact O-N 3.25Å; L64-V68 WeakPolarHBondContact O-CG2 3.06Å; L64-V68 PolarHBondContact O-N 2.04Å; L64-V68 VanDerWaalsContact O-N 3.1Å; L64-L135 HydrophobicContact CD1-CD1 4.13Å; L64-L173 HydrophobicContact CD2-CD2 4.05Å; L64-A175 HydrophobicContact CD1-CB 4.2Å; L64-A175 HydrophobicContact CD2-CB 4.28Å; L64-A176 HydrophobicContact CB-CB 4.27Å; L64-A176 HydrophobicContact CD2-CB 4.07Å; L64-A176 WeakPolarHBondContact O-CB 2.95Å; L64-I179 HydrophobicContact CB-CD1 4.27Å; L64-I179 HydrophobicContact CD1-CD1 4.37Å |
| 65 | L | 88.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75.7 | -29 | -175.5 | -65.7 | 172.7 | 0 | 0 | 0 | 114 | L41 V43 V61 L62 T63 I67 V68 A69 L85 L267 | L41-L65 HydrophobicContact CD2-CD2 3.57Å; V43-L65 HydrophobicContact CG2-CD1 3.88Å; V43-L65 HydrophobicContact CG2-CD2 4.09Å; V61-L65 HydrophobicContact CG1-CD1 3.86Å; V61-L65 HydrophobicContact CG1-CG 4.41Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.05Å; V61-L65 PolarHBondContact O-N 2.96Å; L62-L65 PolarHBondContact O-N 3.11Å; T63-L65 VanDerWaalsContact C-N 3.26Å; T63-L65 PolarHBondContact O-N 2.66Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-V68 PolarHBondContact O-N 2.76Å; L65-A69 WeakPolarHBondContact O-CB 3.42Å; L65-A69 PolarHBondContact O-N 3.31Å; L65-L85 HydrophobicContact CD1-CB 4.31Å; L65-L85 HydrophobicContact CD1-CD1 3.91Å; L65-L85 HydrophobicContact CD1-CD2 3.87Å; L65-L85 HydrophobicContact CD1-CG 4.26Å; L65-L267 HydrophobicContact CB-CD2 3.47Å; L65-L267 VanDerWaalsContact CB-CD2 3.47Å |
| 66 | S | 83.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.5 | -34.3 | 171.8 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | L62 T63 T70 L267 N270 | L62-S66 PolarHBondContact O-N 3.19Å; T63-S66 PolarHBondContact O-OG 3.27Å; S66-T70 WeakPolarHBondContact O-CB 3.01Å; S66-T70 PolarHBondContact O-N 3.08Å; S66-T70 PolarHBondContact O-OG1 2.95Å; S66-L267 VanDerWaalsContact CB-O 3.28Å; S66-L267 WeakPolarHBondContact CB-O 3.12Å; S66-N270 PolarHBondContact OG-O 3.5Å |
| 67 | I | 83.6 | Confident | 85.9 | Confident | 25 Ų | 25 | 22.1 Ų | 22.1 | 13% | 0.128 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.6 | -50.9 | 169.8 | -60.5 | 165.5 | 0 | 0 | 0 | 110.1 | T63 L64 L65 A69 T70 V71 A176 F177 P273 | T63-I67 WeakPolarHBondContact O-CG1 3.32Å; T63-I67 PolarHBondContact O-N 3.24Å; L64-I67 WeakPolarHBondContact O-CB 3.27Å; L64-I67 PolarHBondContact O-N 3.25Å; L65-I67 VanDerWaalsContact C-N 3.32Å; I67-A69 PolarHBondContact O-N 2.99Å; I67-T70 WeakPolarHBondContact O-CB 3.33Å; I67-T70 PolarHBondContact O-N 2.97Å; I67-T70 VanDerWaalsContact O-N 3.15Å; I67-V71 HydrophobicContact CG2-CG2 4.34Å; I67-V71 VanDerWaalsContact O-CG2 3.31Å; I67-V71 WeakPolarHBondContact O-CG2 3.46Å; I67-V71 PolarHBondContact O-N 2.76Å; I67-A176 HydrophobicContact CB-CB 3.78Å; I67-A176 HydrophobicContact CD1-CB 4Å; I67-A176 HydrophobicContact CG2-CB 3.72Å; I67-F177 HydrophobicContact CG2-CE1 4.27Å; I67-F177 HydrophobicContact CG2-CZ 4.26Å; I67-P273 HydrophobicContact CD1-CB 4.35Å; I67-P273 HydrophobicContact CD1-CG 3.9Å; I67-P273 HydrophobicContact CG1-CG 3.7Å |
| 68 | V | 89.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.7 | -48.5 | 178.5 | 173 | 0 | 0 | 0 | 0 | 111.6 | L64 L65 T70 V71 F72 I83 A176 I179 L183 | L64-V68 WeakPolarHBondContact O-CG2 3.06Å; L64-V68 PolarHBondContact O-N 2.04Å; L64-V68 VanDerWaalsContact O-N 3.1Å; L65-V68 PolarHBondContact O-N 2.76Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.02Å; V68-V71 PolarHBondContact O-N 2.91Å; V68-V71 VanDerWaalsContact O-N 3.17Å; V68-F72 HydrophobicContact CG1-CD2 3.91Å; V68-F72 HydrophobicContact CG1-CE2 4.05Å; V68-F72 WeakPolarHBondContact O-CD2 3.26Å; V68-F72 PolarHBondContact O-N 2.95Å; V68-I83 HydrophobicContact CG1-CG1 4.43Å; V68-A176 HydrophobicContact CG2-CB 4.26Å; V68-A176 VanDerWaalsContact CG2-O 3.24Å; V68-A176 WeakPolarHBondContact CG2-O 3.22Å; V68-I179 HydrophobicContact CG1-CG2 4.29Å; V68-I179 HydrophobicContact CG2-CB 3.83Å; V68-I179 HydrophobicContact CG2-CD1 4.4Å; V68-I179 HydrophobicContact CG2-CG2 3.79Å; V68-L183 HydrophobicContact CG1-CD1 4.01Å |
| 69 | A | 86 | Confident | 85.9 | Confident | 6 Ų | 6 | 21.1 Ų | 21.1 | 5% | 0.05 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -35.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L65 I67 R73 I83 | L65-A69 WeakPolarHBondContact O-CB 3.42Å; L65-A69 PolarHBondContact O-N 3.31Å; I67-A69 PolarHBondContact O-N 2.99Å; A69-R73 WeakPolarHBondContact O-CG 3.38Å; A69-R73 PolarHBondContact O-N 3.22Å; A69-I83 HydrophobicContact CB-CB 4.5Å |
| 70 | T | 81.1 | Confident | 86.1 | Confident | 60 Ų | 60 | 17.2 Ų | 17.2 | 37% | 0.368 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -69.2 | -38.2 | 174.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | S66 I67 V68 R73 H74 | S66-T70 WeakPolarHBondContact O-CB 3.01Å; S66-T70 PolarHBondContact O-N 3.08Å; S66-T70 PolarHBondContact O-OG1 2.95Å; I67-T70 WeakPolarHBondContact O-CB 3.33Å; I67-T70 PolarHBondContact O-N 2.97Å; I67-T70 VanDerWaalsContact O-N 3.15Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.02Å; T70-R73 PolarHBondContact O-N 3.13Å; T70-H74 PolarHBondContact O-N 3.43Å |
| 71 | V | 86.7 | Confident | 86.2 | Confident | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.024 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 177.7 | 165.8 | 0 | 0 | 0 | 0 | 111.9 | I67 V68 R73 H74 F177 A180 I210 W224 | I67-V71 HydrophobicContact CG2-CG2 4.34Å; I67-V71 VanDerWaalsContact O-CG2 3.31Å; I67-V71 WeakPolarHBondContact O-CG2 3.46Å; I67-V71 PolarHBondContact O-N 2.76Å; V68-V71 PolarHBondContact O-N 2.91Å; V68-V71 VanDerWaalsContact O-N 3.17Å; V71-R73 VanDerWaalsContact C-N 3.27Å; V71-R73 PolarHBondContact O-N 2.84Å; V71-H74 VanDerWaalsContact O-CB 3.3Å; V71-H74 WeakPolarHBondContact O-CB 3.24Å; V71-H74 PolarHBondContact O-N 2.05Å; V71-H74 VanDerWaalsContact O-N 3.16Å; V71-F177 HydrophobicContact CG2-CD1 4.46Å; V71-F177 HydrophobicContact CG2-CE1 4.19Å; V71-A180 HydrophobicContact CG1-CB 4.01Å; V71-I210 HydrophobicContact CG1-CD1 3.38Å; V71-I210 HydrophobicContact CG1-CG1 4.32Å; V71-W224 HydrophobicContact CG1-CZ2 4Å; V71-W224 PolarHBondContact O-NE1 3.22Å |
| 72 | F | 90.4 | Very high | 86 | Confident | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.2 | -20.2 | 175.4 | -85 | -78.6 | 0 | 0 | 0 | 113.9 | V68 L77 L81 I83 A180 L183 F187 W224 | V68-F72 HydrophobicContact CG1-CD2 3.91Å; V68-F72 HydrophobicContact CG1-CE2 4.05Å; V68-F72 WeakPolarHBondContact O-CD2 3.26Å; V68-F72 PolarHBondContact O-N 2.95Å; F72-L77 HydrophobicContact CD1-CD2 3.95Å; F72-L81 HydrophobicContact CD1-CD1 4.2Å; F72-I83 HydrophobicContact CB-CD1 4.3Å; F72-I83 HydrophobicContact CB-CG1 3.92Å; F72-I83 HydrophobicContact CD1-CD1 4.37Å; F72-I83 HydrophobicContact CD2-CD1 3.89Å; F72-I83 HydrophobicContact CD2-CG1 3.66Å; F72-I83 HydrophobicContact CE2-CD1 4.34Å; F72-I83 HydrophobicContact CE2-CG1 4.43Å; F72-I83 HydrophobicContact CG-CD1 3.91Å; F72-I83 HydrophobicContact CG-CG1 3.87Å; F72-A180 HydrophobicContact CE2-CB 4.25Å; F72-L183 HydrophobicContact CE2-CB 3.95Å; F72-L183 HydrophobicContact CE2-CD1 3.85Å; F72-L183 HydrophobicContact CZ-CB 3.66Å; F72-L183 HydrophobicContact CZ-CD1 4.37Å; F72-F187 HydrophobicContact CD1-CE2 4.33Å; F72-F187 AromaticContact CE1-CD2 3.84Å; F72-F187 HydrophobicContact CE1-CD2 3.84Å; F72-F187 AromaticContact CE1-CE2 3.59Å; F72-F187 HydrophobicContact CE1-CE2 3.59Å; F72-F187 HydrophobicContact CZ-CD2 4.24Å; F72-F187 HydrophobicContact CZ-CE2 4.06Å; F72-W224 HydrophobicContact CD1-CH2 4.41Å; F72-W224 AromaticContact CD1-CZ2 3.8Å; F72-W224 HydrophobicContact CD1-CZ2 3.8Å; F72-W224 HydrophobicContact CD2-CZ2 4.41Å; F72-W224 AromaticContact CE1-CH2 3.67Å; F72-W224 HydrophobicContact CE1-CH2 3.67Å; F72-W224 AromaticContact CE1-CZ2 3.52Å; F72-W224 HydrophobicContact CE1-CZ2 3.52Å; F72-W224 HydrophobicContact CE2-CH2 4.39Å; F72-W224 HydrophobicContact CE2-CZ2 4.17Å; F72-W224 HydrophobicContact CG-CZ2 4.24Å; F72-W224 AromaticContact CZ-CH2 3.65Å; F72-W224 HydrophobicContact CZ-CH2 3.65Å; F72-W224 AromaticContact CZ-CZ2 3.71Å; F72-W224 HydrophobicContact CZ-CZ2 3.71Å |
| 73 | R | 85 | Confident | 86.1 | Confident | 65 Ų | 65 | 17 Ų | 17 | 25% | 0.245 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 9.1 | 170.7 | -65 | -174.1 | -169.7 | 152.1 | 6 | 114 | A69 T70 V71 S82 G388 | A69-R73 WeakPolarHBondContact O-CG 3.38Å; A69-R73 PolarHBondContact O-N 3.22Å; T70-R73 PolarHBondContact O-N 3.13Å; V71-R73 VanDerWaalsContact C-N 3.27Å; V71-R73 PolarHBondContact O-N 2.84Å; R73-S82 PolarHBondContact NH2-OG 3.25Å; R73-G388 WeakPolarHBondContact CD-O 3.45Å |
| 74 | H | 86.1 | Confident | 86.3 | Confident | 48 Ų | 48 | 17.3 Ų | 17.3 | 22% | 0.222 | 9% | 0.091 | C | C | . | . | trans | -72.1 | 128.3 | 179.2 | -170 | -96.4 | 0 | 0 | 0 | 111.7 | T70 V71 S76 L77 W222 | T70-H74 PolarHBondContact O-N 3.43Å; V71-H74 VanDerWaalsContact O-CB 3.3Å; V71-H74 WeakPolarHBondContact O-CB 3.24Å; V71-H74 PolarHBondContact O-N 2.05Å; V71-H74 VanDerWaalsContact O-N 3.16Å; H74-S76 WeakPolarHBondContact ND1-CB 3.35Å; H74-S76 PolarHBondContact ND1-N 3.22Å; H74-S76 PolarHBondContact ND1-OG 3.22Å; H74-S76 PolarHBondContact O-N 3.3Å; H74-L77 PolarHBondContact O-N 2.83Å; H74-W222 PolarHBondContact CD2-O 3.12Å | ||
| 75 | P | 83.1 | Confident | 86.4 | Confident | 20 Ų | 20 | 17.4 Ų | 17.4 | 13% | 0.13 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 10.8 | -171.2 | 32.3 | -41.9 | 0 | 0 | 0 | 115.4 | R384 P385 | P75-R384 HydrophobicContact CB-CG 4.3Å; P75-R384 PolarHBondContact O-NH2 3.21Å; P75-P385 HydrophobicContact CB-CB 4.25Å; P75-P385 HydrophobicContact CB-CG 4.41Å; P75-P385 WeakPolarHBondContact CG-O 3.07Å |
| 76 | S | 86.6 | Confident | 86.3 | Confident | 21 Ų | 21 | 18.2 Ų | 18.2 | 15% | 0.147 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -26.6 | 165.7 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | H74 E78 W224 T229 | H74-S76 WeakPolarHBondContact ND1-CB 3.35Å; H74-S76 PolarHBondContact ND1-N 3.22Å; H74-S76 PolarHBondContact ND1-OG 3.22Å; H74-S76 PolarHBondContact O-N 3.3Å; S76-E78 PolarHBondContact O-N 3.17Å; S76-W224 WeakPolarHBondContact OG-CB 3.2Å; S76-W224 PolarHBondContact OG-N 3.35Å; S76-T229 PolarHBondContact O-OG1 3.03Å |
| 77 | L | 87.6 | Confident | 86.5 | Confident | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -73 | -18.9 | -176.4 | -167.1 | 55 | 0 | 0 | 0 | 113 | F72 H74 A79 L81 W224 L232 | F72-L77 HydrophobicContact CD1-CD2 3.95Å; H74-L77 PolarHBondContact O-N 2.83Å; L77-A79 PolarHBondContact O-N 2.95Å; L77-L81 HydrophobicContact CD2-CD1 3.94Å; L77-W224 HydrophobicContact CB-CG 4.12Å; L77-W224 HydrophobicContact CD1-CB 4.08Å; L77-W224 HydrophobicContact CD1-CD2 3.75Å; L77-W224 HydrophobicContact CD1-CE3 4.23Å; L77-W224 HydrophobicContact CD1-CG 3.7Å; L77-W224 HydrophobicContact CD2-CZ2 4.43Å; L77-W224 HydrophobicContact CG-CG 4.36Å; L77-L232 HydrophobicContact CD1-CD2 3.47Å; L77-L232 VanDerWaalsContact CD1-CD2 3.47Å; L77-L232 HydrophobicContact CD2-CD2 3.93Å; L77-L232 HydrophobicContact CG-CD2 3.56Å |
| 78 | E | 84.9 | Confident | 86.8 | Confident | 64 Ų | 64 | 19.5 Ų | 19.5 | 30% | 0.299 | 10% | 0.102 | S | C | . | . | trans | 51.6 | 23.3 | 179.6 | -53.8 | -171.6 | -166.7 | 0 | 0 | 117.1 | S76 T229 Y391 R396 | S76-E78 PolarHBondContact O-N 3.17Å; E78-T229 HydrophobicContact CB-CG2 3.78Å; E78-T229 HydrophobicContact CG-CG2 3.78Å; E78-Y391 HydrophobicContact CB-CE1 4.36Å; E78-Y391 HydrophobicContact CB-CE2 4.23Å; E78-Y391 HydrophobicContact CG-CE2 4.49Å; E78-Y391 VanDerWaalsContact O-CE1 3.24Å; E78-Y391 WeakPolarHBondContact O-CE1 3.49Å; E78-R396 PolarHBondContact O-NH1 3.41Å; E78-R396 IonicContact OE2-CZ 3.77Å; E78-R396 VanDerWaalsContact OE2-CZ 3.27Å; E78-R396 IonicContact OE2-NH1 3.68Å; E78-R396 PolarHBondContact OE2-NH1 2.82Å; E78-R396 IonicContact OE2-NH2 3.73Å; E78-R396 PolarHBondContact OE2-NH2 3.09Å | ||
| 79 | A | 84.9 | Confident | 86.8 | Confident | 7 Ų | 7 | 22 Ų | 22 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -130.6 | 155.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L77 L81 L232 L236 F238 Y391 | L77-A79 PolarHBondContact O-N 2.95Å; A79-L81 PolarHBondContact O-N 3.1Å; A79-L232 HydrophobicContact CB-CD2 3.93Å; A79-L236 HydrophobicContact CB-CD1 4.07Å; A79-F238 HydrophobicContact CB-CE2 4.08Å; A79-Y391 WeakPolarHBondContact O-CB 3.45Å |
| 80 | S | 86.2 | Confident | 86.9 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 83.9 | 175.9 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | E36 Y37 | E36-S80 WeakPolarHBondContact CA-O 3.21Å; Y37-S80 PolarHBondContact N-O 2.68Å |
| 81 | L | 88.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.6 | 176 | -80.9 | 162.4 | 0 | 0 | 0 | 111.2 | Y37 V39 F72 L77 A79 F187 L232 | Y37-L81 HydrophobicContact CG-CD2 4.49Å; Y37-L81 CarbonylContact O-C 3.52Å; Y37-L81 WeakPolarHBondContact O-CA 3.13Å; V39-L81 HydrophobicContact CG2-CD2 4.18Å; F72-L81 HydrophobicContact CD1-CD1 4.2Å; L77-L81 HydrophobicContact CD2-CD1 3.94Å; A79-L81 PolarHBondContact O-N 3.1Å; L81-F187 HydrophobicContact CD1-CE1 4.4Å; L81-F187 HydrophobicContact CD1-CE2 4.41Å; L81-F187 HydrophobicContact CD1-CZ 4.07Å; L81-F187 HydrophobicContact CD2-CE1 4.07Å; L81-F187 HydrophobicContact CD2-CZ 3.75Å; L81-L232 HydrophobicContact CD1-CD1 4.15Å; L81-L232 HydrophobicContact CD1-CD2 3.55Å; L81-L232 HydrophobicContact CD1-CG 4.46Å |
| 82 | S | 85.7 | Confident | 86.4 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 109.8 | 177.2 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | Y37 F38 V39 R73 H84 | Y37-S82 PolarHBondContact O-N 3.25Å; F38-S82 CarbonylContact C-O 3.59Å; F38-S82 WeakPolarHBondContact CA-O 3.08Å; V39-S82 PolarHBondContact N-O 2.03Å; R73-S82 PolarHBondContact NH2-OG 3.25Å; S82-H84 PolarHBondContact O-CD2 2.91Å; S82-H84 VanDerWaalsContact O-CD2 3.25Å; S82-H84 PolarHBondContact OG-CD2 3.44Å; S82-H84 PolarHBondContact OG-NE2 3.37Å |
| 83 | I | 88.7 | Confident | 85.6 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 126.4 | 175.4 | -47.8 | -55.6 | 0 | 0 | 0 | 109.4 | V39 L41 V68 A69 F72 | V39-I83 HydrophobicContact CB-CD1 3.8Å; V39-I83 HydrophobicContact CG1-CD1 4.29Å; V39-I83 HydrophobicContact CG2-CD1 3.74Å; L41-I83 HydrophobicContact CB-CG2 4.26Å; L41-I83 HydrophobicContact CD2-CG2 3.9Å; V68-I83 HydrophobicContact CG1-CG1 4.43Å; A69-I83 HydrophobicContact CB-CB 4.5Å; F72-I83 HydrophobicContact CB-CD1 4.3Å; F72-I83 HydrophobicContact CB-CG1 3.92Å; F72-I83 HydrophobicContact CD1-CD1 4.37Å; F72-I83 HydrophobicContact CD2-CD1 3.89Å; F72-I83 HydrophobicContact CD2-CG1 3.66Å; F72-I83 HydrophobicContact CE2-CD1 4.34Å; F72-I83 HydrophobicContact CE2-CG1 4.43Å; F72-I83 HydrophobicContact CG-CD1 3.91Å; F72-I83 HydrophobicContact CG-CG1 3.87Å |
| 84 | H | 87.8 | Confident | 84.9 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115 | 178.9 | -73.2 | -83.8 | 0 | 0 | 0 | 110.4 | F38 V39 L41 S82 V86 P258 Q261 S264 | F38-H84 AromaticContact CD1-CD2 3.93Å; F38-H84 AromaticContact CD1-NE2 3.63Å; V39-H84 PolarHBondContact O-N 3.44Å; L41-H84 PolarHBondContact N-O 3.1Å; S82-H84 PolarHBondContact O-CD2 2.91Å; S82-H84 VanDerWaalsContact O-CD2 3.25Å; S82-H84 PolarHBondContact OG-CD2 3.44Å; S82-H84 PolarHBondContact OG-NE2 3.37Å; H84-V86 PolarHBondContact O-N 3.14Å; H84-V86 VanDerWaalsContact O-N 3.12Å; H84-P258 HydrophobicContact CB-CG 3.71Å; H84-Q261 PolarHBondContact CE1-NE2 3.13Å; H84-Q261 VanDerWaalsContact CE1-NE2 3.35Å; H84-S264 PolarHBondContact ND1-OG 2.69Å |
| 85 | L | 89.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 110 | 166.3 | 178.3 | 69 | 0 | 0 | 0 | 108.5 | V43 L62 L65 K87 L88 Y263 L267 | V43-L85 HydrophobicContact CB-CD1 4.1Å; V43-L85 HydrophobicContact CG2-CD1 3.92Å; L62-L85 HydrophobicContact CD2-CD2 3.59Å; L65-L85 HydrophobicContact CD1-CB 4.31Å; L65-L85 HydrophobicContact CD1-CD1 3.91Å; L65-L85 HydrophobicContact CD1-CD2 3.87Å; L65-L85 HydrophobicContact CD1-CG 4.26Å; L85-K87 VanDerWaalsContact CD1-O 3.31Å; L85-K87 WeakPolarHBondContact CD1-O 3.46Å; L85-L88 HydrophobicContact CD1-CB 4.42Å; L85-L88 HydrophobicContact CD2-CB 4.35Å; L85-Y263 HydrophobicContact CB-CD2 4.48Å; L85-Y263 HydrophobicContact CD2-CD1 4.21Å; L85-Y263 HydrophobicContact CD2-CD2 3.95Å; L85-Y263 HydrophobicContact CD2-CE2 4.48Å; L85-Y263 HydrophobicContact CD2-CG 3.78Å; L85-Y263 HydrophobicContact CG-CD2 3.93Å; L85-Y263 HydrophobicContact CG-CG 4.21Å; L85-Y263 WeakPolarHBondContact O-CD2 3.48Å; L85-L267 HydrophobicContact CB-CD1 3.92Å |
| 86 | V | 87.9 | Confident | 83.5 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 13% | 0.127 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -38.5 | 170.8 | -70.6 | 0 | 0 | 0 | 0 | 110.8 | E40 L41 H84 H128 H129 P258 | E40-V86 HydrophobicContact CB-CG1 3.97Å; E40-V86 HydrophobicContact CB-CG2 4.13Å; E40-V86 HydrophobicContact CG-CG1 3.91Å; E40-V86 WeakPolarHBondContact OE1-CG1 3.28Å; L41-V86 WeakPolarHBondContact O-CG2 3.47Å; L41-V86 PolarHBondContact O-N 2.84Å; L41-V86 VanDerWaalsContact O-N 3.11Å; H84-V86 PolarHBondContact O-N 3.14Å; H84-V86 VanDerWaalsContact O-N 3.12Å; V86-H128 WeakPolarHBondContact CG2-O 3.34Å; V86-H129 HydrophobicContact CG2-CB 4.03Å; V86-P258 HydrophobicContact CG1-CB 3.93Å |
| 87 | K | 86.7 | Confident | 83 | Confident | 31 Ų | 31 | 41 Ų | 41 | 14% | 0.135 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 126.2 | -165.3 | -162.9 | 160 | 164.6 | 177.7 | 0 | 111.1 | L42 V43 L85 L89 I118 N127 | L42-K87 WeakPolarHBondContact CA-O 3.38Å; L42-K87 HydrophobicContact CD1-CB 3.86Å; L42-K87 HydrophobicContact CD1-CD 4.36Å; L42-K87 HydrophobicContact CD1-CG 3.85Å; V43-K87 PolarHBondContact N-O 2.77Å; L85-K87 VanDerWaalsContact CD1-O 3.31Å; L85-K87 WeakPolarHBondContact CD1-O 3.46Å; K87-L89 HydrophobicContact CG-CG 4.45Å; K87-I118 PolarHBondContact NZ-O 3.01Å; K87-N127 PolarHBondContact NZ-O 2.83Å; K87-N127 PolarHBondContact NZ-OD1 3.39Å; K87-N127 VanDerWaalsContact NZ-OD1 3.08Å |
| 88 | L | 90.4 | Very high | 82.8 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.9 | 173.1 | 176.6 | 56.8 | 0 | 0 | 0 | 109 | V43 E58 V61 L85 | V43-L88 HydrophobicContact CB-CD1 4.06Å; V43-L88 HydrophobicContact CG1-CD1 4.02Å; V43-L88 CarbonylContact O-C 3.57Å; V43-L88 WeakPolarHBondContact O-CA 3.43Å; E58-L88 HydrophobicContact CG-CD2 4.08Å; V61-L88 HydrophobicContact CG1-CD1 3.85Å; V61-L88 HydrophobicContact CG1-CD2 4.4Å; L85-L88 HydrophobicContact CD1-CB 4.42Å; L85-L88 HydrophobicContact CD2-CB 4.35Å |
| 89 | L | 88.9 | Confident | 82.7 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.4 | 177.4 | -64 | -179.6 | 0 | 0 | 0 | 110.4 | L42 V43 V44 T45 K87 W114 I118 | L42-L89 HydrophobicContact CD1-CD1 3.89Å; L42-L89 HydrophobicContact CD1-CG 3.93Å; V43-L89 PolarHBondContact O-N 2.91Å; V44-L89 CarbonylContact C-O 3.56Å; V44-L89 WeakPolarHBondContact CA-O 3.49Å; V44-L89 HydrophobicContact CG1-CB 4.44Å; V44-L89 HydrophobicContact CG2-CB 4.41Å; T45-L89 PolarHBondContact N-O 3.02Å; T45-L89 PolarHBondContact OG1-O 2.83Å; T45-L89 VanDerWaalsContact OG1-O 3.13Å; K87-L89 HydrophobicContact CG-CG 4.45Å; L89-W114 HydrophobicContact CD1-CH2 3.98Å; L89-W114 HydrophobicContact CD1-CZ3 4.46Å; L89-I118 HydrophobicContact CD1-CD1 3.4Å |
| 90 | I | 87.8 | Confident | 82.7 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.6 | 173.4 | -53.4 | 174.6 | 0 | 0 | 0 | 107.8 | T45 R50 L57 D92 | T45-I90 WeakPolarHBondContact OG1-CA 3.37Å; T45-I90 WeakPolarHBondContact OG1-CG1 3.29Å; R50-I90 HydrophobicContact CB-CG2 4.32Å; R50-I90 HydrophobicContact CG-CG2 4.21Å; L57-I90 HydrophobicContact CD2-CD1 4.14Å; L57-I90 HydrophobicContact CD2-CG1 4.21Å; L57-I90 HydrophobicContact CD2-CG2 3.66Å; I90-D92 PolarHBondContact O-N 2.85Å |
| 91 | V | 85.3 | Confident | 82.7 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | trans | -74.6 | 106.2 | -177.6 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | V44 T45 T47 Y93 A96 | V44-V91 HydrophobicContact CG1-CG2 4.18Å; T45-V91 VanDerWaalsContact O-CB 3.32Å; T45-V91 WeakPolarHBondContact O-CB 3.29Å; T45-V91 WeakPolarHBondContact O-CG2 3.48Å; T45-V91 PolarHBondContact O-N 3.12Å; T47-V91 HydrophobicContact CG2-CG1 4.36Å; V91-Y93 VanDerWaalsContact C-N 3.28Å; V91-Y93 WeakPolarHBondContact CG1-O 3.45Å; V91-Y93 PolarHBondContact O-N 2.89Å; V91-A96 HydrophobicContact CG1-CB 4.29Å | ||
| 92 | D | 73.7 | Confident | 82.4 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -61.3 | -32 | 179.3 | -87.6 | -8 | 0 | 0 | 0 | 113 | R50 I90 | R50-D92 IonicContact CZ-OD1 3Å; R50-D92 IonicContact NH1-OD1 2.6Å; R50-D92 PolarHBondContact NH1-OD1 3.43Å; R50-D92 IonicContact NH2-OD1 3.94Å; R50-D92 PolarHBondContact NH2-OD1 2.86Å; I90-D92 PolarHBondContact O-N 2.85Å |
| 93 | Y | 73.4 | Confident | 82.4 | Confident | 145 Ų | 145 | 57.8 Ų | 57.8 | 57% | 0.569 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -156.1 | 148 | -175.2 | 56.2 | -85.7 | 0 | 0 | 0 | 111.6 | V91 N95 A96 | V91-Y93 VanDerWaalsContact C-N 3.28Å; V91-Y93 WeakPolarHBondContact CG1-O 3.45Å; V91-Y93 PolarHBondContact O-N 2.89Å; Y93-N95 VanDerWaalsContact C-N 3.29Å; Y93-N95 HydrophobicContact CD2-CB 4.21Å; Y93-N95 HydrophobicContact CE2-CB 4.41Å; Y93-N95 PolarHBondContact O-N 3.12Å; Y93-N95 VanDerWaalsContact O-N 3.11Å; Y93-A96 HydrophobicContact CD2-CB 4.05Å; Y93-A96 HydrophobicContact CE1-CB 4.15Å; Y93-A96 HydrophobicContact CE2-CB 3.66Å; Y93-A96 HydrophobicContact CG-CB 4.46Å; Y93-A96 WeakPolarHBondContact O-CB 3.4Å; Y93-A96 PolarHBondContact O-N 3.4Å |
| 94 | E | 70.3 | Confident | 82.3 | Confident | 137 Ų | 137 | 57.6 Ų | 57.6 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -56.6 | -36.5 | -165.3 | -60.4 | -176.2 | 152.9 | 0 | 0 | 114.2 | T47 A96 G97 | T47-E94 HydrophobicContact CG2-CG 3.86Å; E94-A96 PolarHBondContact O-N 3.32Å; E94-G97 PolarHBondContact O-N 3.47Å |
| 95 | N | 69.8 | Low | 82.3 | Confident | 139 Ų | 139 | 62.1 Ų | 62.1 | 74% | 0.743 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -73.7 | -3.3 | 180 | -66.5 | -36.9 | 0 | 0 | 0 | 114.9 | Y93 | Y93-N95 VanDerWaalsContact C-N 3.29Å; Y93-N95 HydrophobicContact CD2-CB 4.21Å; Y93-N95 HydrophobicContact CE2-CB 4.41Å; Y93-N95 PolarHBondContact O-N 3.12Å; Y93-N95 VanDerWaalsContact O-N 3.11Å |
| 96 | A | 69.9 | Low | 82.2 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -94.7 | -17.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V91 Y93 E94 W114 | V91-A96 HydrophobicContact CG1-CB 4.29Å; Y93-A96 HydrophobicContact CD2-CB 4.05Å; Y93-A96 HydrophobicContact CE1-CB 4.15Å; Y93-A96 HydrophobicContact CE2-CB 3.66Å; Y93-A96 HydrophobicContact CG-CB 4.46Å; Y93-A96 WeakPolarHBondContact O-CB 3.4Å; Y93-A96 PolarHBondContact O-N 3.4Å; E94-A96 PolarHBondContact O-N 3.32Å; A96-W114 WeakPolarHBondContact O-CZ2 3.37Å; A96-W114 PolarHBondContact O-NE1 2.95Å |
| 97 | G | 76.6 | Confident | 82.3 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -98.2 | -176.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E94 | E94-G97 PolarHBondContact O-N 3.47Š|
| 98 | P | 82.8 | Confident | 82.7 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -66.4 | 160.8 | 168.4 | 31.2 | -37.3 | 0 | 0 | 0 | 111.9 | I100 F111 W114 L134 | P98-I100 HydrophobicContact CG-CG1 4.39Å; P98-I100 PolarHBondContact O-N 2.9Å; P98-F111 HydrophobicContact CB-CB 4.19Å; P98-F111 HydrophobicContact CB-CD2 4.23Å; P98-F111 HydrophobicContact CG-CD2 3.97Å; P98-W114 HydrophobicContact CB-CB 4.09Å; P98-W114 HydrophobicContact CB-CD2 4.38Å; P98-W114 HydrophobicContact CB-CG 4.09Å; P98-L134 HydrophobicContact CG-CD1 4.16Å; P98-L134 HydrophobicContact CG-CD2 3.98Å | ||
| 99 | R | 82 | Confident | 82.6 | Confident | 177 Ų | 177 | 71.3 Ų | 71.3 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | trans | -81.7 | 80.8 | -179.6 | -69 | -67 | -62.4 | -165.5 | 0.4 | 112.2 | N101 E110 | R99-N101 PolarHBondContact O-ND2 2.67Å; R99-N101 VanDerWaalsContact O-ND2 3.16Å; R99-E110 HydrophobicContact CB-CB 4.37Å; R99-E110 HydrophobicContact CB-CG 4.43Å | ||
| 100 | I | 85.6 | Confident | 82.6 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 20% | 0.2 | 34% | 0.342 | C | S | . | . | trans | -68.6 | 138 | 176.4 | -54.1 | 176.4 | 0 | 0 | 0 | 111 | D46 P98 T107 L134 H138 | D46-I100 HydrophobicContact CB-CD1 3.53Å; P98-I100 HydrophobicContact CG-CG1 4.39Å; P98-I100 PolarHBondContact O-N 2.9Å; I100-T107 HydrophobicContact CB-CG2 4.4Å; I100-T107 HydrophobicContact CG1-CG2 4.33Å; I100-T107 HydrophobicContact CG2-CG2 4.15Å; I100-L134 HydrophobicContact CD1-CD1 4.36Å; I100-L134 HydrophobicContact CD1-CD2 4.12Å; I100-L134 HydrophobicContact CG1-CD2 4.09Å; I100-H138 HydrophobicContact CG2-CB 3.67Å | ||
| 101 | N | 85.5 | Confident | 83 | Confident | 34 Ų | 34 | 68.7 Ų | 68.7 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -161 | 165.4 | 178.1 | 66.9 | 99.8 | 0 | 0 | 0 | 110.8 | R99 N103 T107 H138 | R99-N101 PolarHBondContact O-ND2 2.67Å; R99-N101 VanDerWaalsContact O-ND2 3.16Å; N101-N103 PolarHBondContact O-N 3.43Å; N101-N103 WeakPolarHBondContact OD1-CB 3.46Å; N101-N103 PolarHBondContact OD1-N 2.96Å; N101-T107 PolarHBondContact N-OG1 3.43Å; N101-T107 PolarHBondContact ND2-OG1 3.39Å; N101-T107 PolarHBondContact O-OG1 3.47Å; N101-H138 WeakPolarHBondContact CA-NE2 3.42Å | ||
| 102 | D | 82 | Confident | 83.3 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -59.3 | -15.7 | -170.9 | -42.8 | 21.1 | 0 | 0 | 0 | 114 | H138 C141 | D102-H138 PolarHBondContact N-NE2 2.75Å; D102-H138 IonicContact OD1-CE1 2.75Å; D102-H138 IonicContact OD1-NE2 3.91Å; D102-H138 PolarHBondContact OD1-NE2 2.82Å; D102-C141 WeakPolarHBondContact O-CA 3.07Å; D102-C141 WeakPolarHBondContact O-CB 3.07Å; D102-C141 PolarHBondContact O-N 2.97Å |
| 103 | N | 86 | Confident | 84.1 | Confident | 67 Ų | 67 | 71 Ų | 71 | 36% | 0.358 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -94.1 | 104.8 | 177.9 | 175.3 | -1.6 | 0 | 0 | 0 | 110.6 | N101 Q105 Q106 T107 | N101-N103 PolarHBondContact O-N 3.43Å; N101-N103 WeakPolarHBondContact OD1-CB 3.46Å; N101-N103 PolarHBondContact OD1-N 2.96Å; N103-Q105 VanDerWaalsContact C-N 3.31Å; N103-Q105 PolarHBondContact O-N 3.31Å; N103-Q105 PolarHBondContact OD1-N 3.24Å; N103-Q106 HydrophobicContact CB-CB 4.06Å; N103-Q106 PolarHBondContact O-N 2.86Å; N103-Q106 PolarHBondContact OD1-N 2.9Å; N103-T107 PolarHBondContact O-N 3.19Å; N103-T107 PolarHBondContact O-OG1 2.83Å |
| 104 | A | 87.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -51.1 | -45.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q106 T107 L108 I140 C141 L152 I167 | A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 3Å; A104-T107 PolarHBondContact O-N 2.88Å; A104-L108 WeakPolarHBondContact O-CB 3.46Å; A104-L108 PolarHBondContact O-N 2.9Å; A104-I140 HydrophobicContact CB-CB 4.2Å; A104-C141 PolarHBondContact N-O 3.02Å; A104-L152 HydrophobicContact CB-CD2 3.94Å; A104-I167 HydrophobicContact CB-CD1 4.1Å; A104-I167 VanDerWaalsContact O-CD1 3.22Å; A104-I167 WeakPolarHBondContact O-CD1 3.26Å |
| 105 | Q | 87.5 | Confident | 85.9 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.5 | -32.5 | -179.1 | -170 | 69 | 35.3 | 0 | 0 | 112.5 | N103 R109 | N103-Q105 VanDerWaalsContact C-N 3.31Å; N103-Q105 PolarHBondContact O-N 3.31Å; N103-Q105 PolarHBondContact OD1-N 3.24Å; Q105-R109 WeakPolarHBondContact O-CB 3.46Å; Q105-R109 PolarHBondContact O-N 2.93Å |
| 106 | Q | 86 | Confident | 86.8 | Confident | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -77.3 | -43.3 | 177.2 | -177 | 172.4 | -23.7 | 0 | 0 | 111.2 | N103 A104 R109 E110 | N103-Q106 HydrophobicContact CB-CB 4.06Å; N103-Q106 PolarHBondContact O-N 2.86Å; N103-Q106 PolarHBondContact OD1-N 2.9Å; A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 3Å; Q106-R109 PolarHBondContact O-N 2.79Å; Q106-E110 PolarHBondContact O-N 2.84Å |
| 107 | T | 91.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.7 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | I100 N101 N103 A104 F111 L134 I167 | I100-T107 HydrophobicContact CB-CG2 4.4Å; I100-T107 HydrophobicContact CG1-CG2 4.33Å; I100-T107 HydrophobicContact CG2-CG2 4.15Å; N101-T107 PolarHBondContact N-OG1 3.43Å; N101-T107 PolarHBondContact ND2-OG1 3.39Å; N101-T107 PolarHBondContact O-OG1 3.47Å; N103-T107 PolarHBondContact O-N 3.19Å; N103-T107 PolarHBondContact O-OG1 2.83Å; A104-T107 PolarHBondContact O-N 2.88Å; T107-F111 VanDerWaalsContact O-CB 3.29Å; T107-F111 WeakPolarHBondContact O-CB 3.23Å; T107-F111 PolarHBondContact O-N 2.71Å; T107-L134 HydrophobicContact CG2-CD2 4.22Å; T107-I167 HydrophobicContact CG2-CD1 4.08Å; T107-I167 HydrophobicContact CG2-CG2 4.34Å |
| 108 | L | 93.2 | Very high | 88 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.7 | -53.5 | 172.6 | 179.5 | 63.6 | 0 | 0 | 0 | 110.6 | A104 E110 F111 C112 L152 C165 I167 | A104-L108 WeakPolarHBondContact O-CB 3.46Å; A104-L108 PolarHBondContact O-N 2.9Å; L108-E110 VanDerWaalsContact C-N 3.35Å; L108-E110 PolarHBondContact O-N 2.94Å; L108-F111 PolarHBondContact O-N 3.05Å; L108-F111 VanDerWaalsContact O-N 3.1Å; L108-C112 WeakPolarHBondContact CD1-SG 3.33Å; L108-C112 WeakPolarHBondContact O-CB 3.47Å; L108-C112 PolarHBondContact O-N 3.39Å; L108-C112 PolarHBondContact O-SG 3.3Å; L108-L152 HydrophobicContact CB-CD2 4.38Å; L108-L152 HydrophobicContact CD2-CD2 3.95Å; L108-L152 HydrophobicContact CD2-CG 3.94Å; L108-C165 HydrophobicContact CD1-CB 4.48Å; L108-I167 HydrophobicContact CB-CD1 4.08Å; L108-I167 HydrophobicContact CB-CG1 4.28Å; L108-I167 HydrophobicContact CB-CG2 4.19Å; L108-I167 HydrophobicContact CD1-CG2 3.94Å |
| 109 | R | 88.8 | Confident | 88.2 | Confident | 166 Ų | 166 | 61.7 Ų | 61.7 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.6 | -40.4 | -177.1 | -169.8 | 178.7 | -171.7 | -174.1 | 3.2 | 113.7 | Q105 Q106 R113 | Q105-R109 WeakPolarHBondContact O-CB 3.46Å; Q105-R109 PolarHBondContact O-N 2.93Å; Q106-R109 PolarHBondContact O-N 2.79Å; R109-R113 PolarHBondContact O-N 2.94Å |
| 110 | E | 90 | Very high | 88.3 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73 | -34.6 | 176.2 | -67.1 | -55.7 | 144.6 | 0 | 0 | 112.1 | R99 Q106 L108 R113 W114 | R99-E110 HydrophobicContact CB-CB 4.37Å; R99-E110 HydrophobicContact CB-CG 4.43Å; Q106-E110 PolarHBondContact O-N 2.84Å; L108-E110 VanDerWaalsContact C-N 3.35Å; L108-E110 PolarHBondContact O-N 2.94Å; E110-R113 IonicContact OE1-CZ 3.33Å; E110-R113 IonicContact OE1-NH1 2.73Å; E110-R113 PolarHBondContact OE1-NH1 3.16Å; E110-R113 IonicContact OE2-CZ 3.73Å; E110-R113 IonicContact OE2-NH1 2.75Å; E110-R113 PolarHBondContact OE2-NH1 2.04Å; E110-W114 VanDerWaalsContact O-CB 3.27Å; E110-W114 WeakPolarHBondContact O-CB 3.46Å; E110-W114 PolarHBondContact O-N 2.6Å |
| 111 | F | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -47.4 | 172.6 | 175.1 | -124.2 | 0 | 0 | 0 | 112.6 | V44 P98 T107 L108 R113 W114 Q115 A132 L134 C165 A166 I167 | V44-F111 HydrophobicContact CB-CE2 4.17Å; V44-F111 HydrophobicContact CG2-CE2 3.87Å; V44-F111 HydrophobicContact CG2-CZ 4.19Å; P98-F111 HydrophobicContact CB-CB 4.19Å; P98-F111 HydrophobicContact CB-CD2 4.23Å; P98-F111 HydrophobicContact CG-CD2 3.97Å; T107-F111 VanDerWaalsContact O-CB 3.29Å; T107-F111 WeakPolarHBondContact O-CB 3.23Å; T107-F111 PolarHBondContact O-N 2.71Å; L108-F111 PolarHBondContact O-N 3.05Å; L108-F111 VanDerWaalsContact O-N 3.1Å; F111-R113 VanDerWaalsContact C-N 3.28Å; F111-R113 PolarHBondContact O-N 3.41Å; F111-W114 HydrophobicContact CD2-CE3 4.21Å; F111-W114 HydrophobicContact CE2-CE3 4.17Å; F111-W114 HydrophobicContact CE2-CZ3 4.38Å; F111-W114 PolarHBondContact O-N 3.04Å; F111-Q115 HydrophobicContact CE2-CB 4.15Å; F111-Q115 HydrophobicContact CZ-CB 4.39Å; F111-Q115 WeakPolarHBondContact O-CG 3.31Å; F111-Q115 PolarHBondContact O-N 2.82Å; F111-A132 HydrophobicContact CE1-CB 4.04Å; F111-A132 WeakPolarHBondContact CE1-O 3.26Å; F111-A132 HydrophobicContact CZ-CB 3.64Å; F111-L134 HydrophobicContact CB-CD2 4.14Å; F111-L134 HydrophobicContact CD1-CB 3.73Å; F111-L134 HydrophobicContact CD2-CB 4Å; F111-L134 HydrophobicContact CD2-CD2 4.23Å; F111-L134 HydrophobicContact CE1-CB 3.64Å; F111-L134 HydrophobicContact CE2-CB 3.91Å; F111-L134 HydrophobicContact CG-CB 3.91Å; F111-L134 HydrophobicContact CG-CD2 4.04Å; F111-L134 HydrophobicContact CZ-CB 3.72Å; F111-C165 HydrophobicContact CD1-CB 4.28Å; F111-C165 HydrophobicContact CE1-CB 4.25Å; F111-A166 VanDerWaalsContact CE1-O 3.3Å; F111-A166 WeakPolarHBondContact CE1-O 3.26Å; F111-I167 HydrophobicContact CB-CG2 4.3Å; F111-I167 HydrophobicContact CD1-CG2 3.92Å; F111-I167 HydrophobicContact CG-CG2 4.43Å |
| 112 | C | 93.5 | Very high | 87.5 | Confident | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.081 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -37 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | L108 Q115 H116 F162 C165 | L108-C112 WeakPolarHBondContact CD1-SG 3.33Å; L108-C112 WeakPolarHBondContact O-CB 3.47Å; L108-C112 PolarHBondContact O-N 3.39Å; L108-C112 PolarHBondContact O-SG 3.3Å; C112-Q115 WeakPolarHBondContact O-CG 3.23Å; C112-Q115 PolarHBondContact O-NE2 3.29Å; C112-H116 PolarHBondContact O-N 2.84Å; C112-F162 WeakPolarHBondContact CB-O 3.48Å; C112-C165 HydrophobicContact CB-CB 4Å; C112-C165 WeakPolarHBondContact CB-SG 3.04Å; C112-C165 WeakPolarHBondContact SG-CB 3.21Å; C112-C165 CovalentContact SG-SG 2.02Å; C112-C165 PolarHBondContact SG-SG 3.22Å |
| 113 | R | 88.7 | Confident | 87.1 | Confident | 136 Ų | 136 | 62.1 Ų | 62.1 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 171.2 | -178.8 | -171.5 | -71.4 | 139 | -3 | 112.1 | R109 E110 F111 S117 | R109-R113 PolarHBondContact O-N 2.94Å; E110-R113 IonicContact OE1-CZ 3.33Å; E110-R113 IonicContact OE1-NH1 2.73Å; E110-R113 PolarHBondContact OE1-NH1 3.16Å; E110-R113 IonicContact OE2-CZ 3.73Å; E110-R113 IonicContact OE2-NH1 2.75Å; E110-R113 PolarHBondContact OE2-NH1 2.04Å; F111-R113 VanDerWaalsContact C-N 3.28Å; F111-R113 PolarHBondContact O-N 3.41Å; R113-S117 PolarHBondContact O-N 2.84Å |
| 114 | W | 90.4 | Very high | 86.6 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 19% | 0.193 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.7 | -45.2 | -177.4 | -179.3 | 95.9 | 0 | 0 | 0 | 111.9 | V44 L89 A96 P98 E110 F111 H116 S117 I118 | V44-W114 HydrophobicContact CG1-CH2 4.08Å; V44-W114 HydrophobicContact CG1-CZ3 4.03Å; V44-W114 HydrophobicContact CG2-CH2 4.5Å; V44-W114 HydrophobicContact CG2-CZ3 3.92Å; L89-W114 HydrophobicContact CD1-CH2 3.98Å; L89-W114 HydrophobicContact CD1-CZ3 4.46Å; A96-W114 WeakPolarHBondContact O-CZ2 3.37Å; A96-W114 PolarHBondContact O-NE1 2.95Å; P98-W114 HydrophobicContact CB-CB 4.09Å; P98-W114 HydrophobicContact CB-CD2 4.38Å; P98-W114 HydrophobicContact CB-CG 4.09Å; E110-W114 VanDerWaalsContact O-CB 3.27Å; E110-W114 WeakPolarHBondContact O-CB 3.46Å; E110-W114 PolarHBondContact O-N 2.6Å; F111-W114 HydrophobicContact CD2-CE3 4.21Å; F111-W114 HydrophobicContact CE2-CE3 4.17Å; F111-W114 HydrophobicContact CE2-CZ3 4.38Å; F111-W114 PolarHBondContact O-N 3.04Å; W114-H116 VanDerWaalsContact C-N 3.32Å; W114-H116 PolarHBondContact O-N 3.48Å; W114-S117 PolarHBondContact O-N 3.41Å; W114-S117 PolarHBondContact O-OG 3.3Å; W114-I118 HydrophobicContact CE3-CD1 4.1Å; W114-I118 HydrophobicContact CE3-CG1 4.43Å; W114-I118 HydrophobicContact CH2-CD1 3.58Å; W114-I118 HydrophobicContact CZ2-CD1 4.37Å; W114-I118 HydrophobicContact CZ3-CD1 3.4Å; W114-I118 VanDerWaalsContact CZ3-CD1 3.4Å; W114-I118 HydrophobicContact CZ3-CG1 4.2Å |
| 115 | Q | 92.3 | Very high | 86.2 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 178.6 | 69 | 76.1 | 26.5 | 0 | 0 | 111.6 | L42 F111 C112 S117 I118 N119 H129 A132 P161 C165 | L42-Q115 HydrophobicContact CD2-CB 4.39Å; F111-Q115 HydrophobicContact CE2-CB 4.15Å; F111-Q115 HydrophobicContact CZ-CB 4.39Å; F111-Q115 WeakPolarHBondContact O-CG 3.31Å; F111-Q115 PolarHBondContact O-N 2.82Å; C112-Q115 WeakPolarHBondContact O-CG 3.23Å; C112-Q115 PolarHBondContact O-NE2 3.29Å; Q115-S117 PolarHBondContact O-N 3.33Å; Q115-I118 CarbonylContact O-C 3.56Å; Q115-I118 WeakPolarHBondContact O-CG1 3.01Å; Q115-I118 PolarHBondContact O-N 3.36Å; Q115-N119 PolarHBondContact O-N 3.36Å; Q115-H129 PolarHBondContact OE1-NE2 3.08Å; Q115-A132 HydrophobicContact CB-CB 3.69Å; Q115-A132 HydrophobicContact CG-CB 3.71Å; Q115-P161 PolarHBondContact NE2-O 2.94Å; Q115-C165 HydrophobicContact CG-CB 4.48Å |
| 116 | H | 89 | Confident | 85.6 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.8 | -33.3 | 175.7 | 174.1 | -90.3 | 0 | 0 | 0 | 111.9 | C112 W114 I118 P161 F162 | C112-H116 PolarHBondContact O-N 2.84Å; W114-H116 VanDerWaalsContact C-N 3.32Å; W114-H116 PolarHBondContact O-N 3.48Å; H116-I118 PolarHBondContact O-N 3.19Å; H116-P161 PolarHBondContact CD2-O 2.82Å; H116-P161 VanDerWaalsContact CD2-O 3.3Å; H116-F162 AromaticContact CD2-CD1 3.83Å; H116-F162 AromaticContact CD2-CE1 3.76Å; H116-F162 AromaticContact CE1-CE1 3.45Å; H116-F162 VanDerWaalsContact CE1-CE1 3.45Å; H116-F162 WeakPolarHBondContact CE1-CE1 3.44Å; H116-F162 AromaticContact CE1-CZ 3.95Å; H116-F162 AromaticContact CG-CD1 3.96Å; H116-F162 AromaticContact CG-CE1 4Å; H116-F162 AromaticContact ND1-CE1 3.81Å; H116-F162 AromaticContact NE2-CD1 3.97Å; H116-F162 AromaticContact NE2-CE1 3.38Å; H116-F162 WeakPolarHBondContact NE2-CE1 3.23Å; H116-F162 AromaticContact NE2-CZ 3.58Å |
| 117 | S | 84.7 | Confident | 85.3 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 59% | 0.594 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -4.1 | 177.8 | 73.5 | 0 | 0 | 0 | 0 | 115 | R113 W114 Q115 | R113-S117 PolarHBondContact O-N 2.84Å; W114-S117 PolarHBondContact O-N 3.41Å; W114-S117 PolarHBondContact O-OG 3.3Å; Q115-S117 PolarHBondContact O-N 3.33Å |
| 118 | I | 85.3 | Confident | 85.1 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 0.1 | 178.3 | 65.1 | 154.2 | 0 | 0 | 0 | 114.1 | L42 K87 L89 W114 Q115 H116 | L42-I118 HydrophobicContact CD2-CD1 4.05Å; K87-I118 PolarHBondContact NZ-O 3.01Å; L89-I118 HydrophobicContact CD1-CD1 3.4Å; W114-I118 HydrophobicContact CE3-CD1 4.1Å; W114-I118 HydrophobicContact CE3-CG1 4.43Å; W114-I118 HydrophobicContact CH2-CD1 3.58Å; W114-I118 HydrophobicContact CZ2-CD1 4.37Å; W114-I118 HydrophobicContact CZ3-CD1 3.4Å; W114-I118 VanDerWaalsContact CZ3-CD1 3.4Å; W114-I118 HydrophobicContact CZ3-CG1 4.2Å; Q115-I118 CarbonylContact O-C 3.56Å; Q115-I118 WeakPolarHBondContact O-CG1 3.01Å; Q115-I118 PolarHBondContact O-N 3.36Å; H116-I118 PolarHBondContact O-N 3.19Å |
| 119 | N | 88.6 | Confident | 85 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -73.4 | 144.5 | 167.7 | -159.3 | -4.8 | 0 | 0 | 0 | 108.6 | Q115 H128 H129 | Q115-N119 PolarHBondContact O-N 3.36Å; N119-H128 VanDerWaalsContact OD1-CA 3.28Å; N119-H128 WeakPolarHBondContact OD1-CA 3.05Å; N119-H128 PolarHBondContact OD1-ND1 3.49Å; N119-H129 VanDerWaalsContact CB-CE1 3.45Å; N119-H129 WeakPolarHBondContact CB-CE1 3.47Å; N119-H129 VanDerWaalsContact CG-CE1 3.44Å; N119-H129 PolarHBondContact ND2-NE2 2.82Å; N119-H129 PolarHBondContact ND2-O 3.08Å; N119-H129 PolarHBondContact OD1-N 2.92Å |
| 120 | D | 82.9 | Confident | 85.1 | Confident | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | trans | -85.9 | 126.9 | 175.1 | -144.4 | -32.8 | 0 | 0 | 0 | 108.4 | D122 S125 N127 H128 | D120-D122 PolarHBondContact O-N 3.37Å; D120-D122 VanDerWaalsContact O-N 3.13Å; D120-S125 VanDerWaalsContact OD2-CB 3.31Å; D120-S125 WeakPolarHBondContact OD2-CB 3.3Å; D120-S125 PolarHBondContact OD2-OG 3.07Å; D120-N127 HydrophobicContact CB-CB 4.04Å; D120-H128 PolarHBondContact O-ND1 3.21Å | ||
| 121 | P | 77 | Confident | 85.4 | Confident | 130 Ų | 130 | 54.5 Ų | 54.5 | 84% | 0.844 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -71.8 | 2.5 | 177.9 | 30.3 | -37.6 | 0 | 0 | 0 | 114.2 | ||
| 122 | D | 78.7 | Confident | 85.4 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | trans | -103.4 | 111.8 | 174.1 | -170.6 | -4.4 | 0 | 0 | 0 | 109.8 | D120 E124 S125 | D120-D122 PolarHBondContact O-N 3.37Å; D120-D122 VanDerWaalsContact O-N 3.13Å; D122-E124 PolarHBondContact O-N 3.32Å; D122-E124 PolarHBondContact OD1-N 3.23Å; D122-S125 WeakPolarHBondContact O-CB 3.33Å; D122-S125 PolarHBondContact O-N 3.16Å | ||
| 123 | D | 72.9 | Confident | 85.6 | Confident | 89 Ų | 89 | 54 Ų | 54 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.2 | 176.4 | -94.5 | 2.5 | 0 | 0 | 0 | 111.9 | S125 H128 | D123-S125 PolarHBondContact O-N 2.94Å; D123-H128 IonicContact OD1-CE1 3.66Å; D123-H128 IonicContact OD1-NE2 2.99Å |
| 124 | E | 75.5 | Confident | 86 | Confident | 164 Ų | 164 | 47.5 Ų | 47.5 | 77% | 0.766 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.8 | -178.4 | -64.1 | -170.9 | -172.7 | 0 | 0 | 112.8 | D122 | D122-E124 PolarHBondContact O-N 3.32Å; D122-E124 PolarHBondContact OD1-N 3.23Å |
| 125 | S | 79.3 | Confident | 86.2 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -84.6 | 130.8 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | D120 D122 D123 N127 H128 | D120-S125 VanDerWaalsContact OD2-CB 3.31Å; D120-S125 WeakPolarHBondContact OD2-CB 3.3Å; D120-S125 PolarHBondContact OD2-OG 3.07Å; D122-S125 WeakPolarHBondContact O-CB 3.33Å; D122-S125 PolarHBondContact O-N 3.16Å; D123-S125 PolarHBondContact O-N 2.94Å; S125-N127 PolarHBondContact O-N 3.11Å; S125-N127 PolarHBondContact OG-N 2.96Å; S125-H128 VanDerWaalsContact O-CB 3.32Å; S125-H128 WeakPolarHBondContact O-CB 3.44Å; S125-H128 PolarHBondContact O-N 3.33Å |
| 126 | A | 75.3 | Confident | 86.2 | Confident | 42 Ų | 42 | 45 Ų | 45 | 35% | 0.347 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 13.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E260 | A126-E260 HydrophobicContact CB-CB 4.24Å; A126-E260 HydrophobicContact CB-CG 4.15Å |
| 127 | N | 78.6 | Confident | 86.2 | Confident | 79 Ų | 79 | 44.7 Ų | 44.7 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -2.8 | 169.2 | -78.6 | -86.1 | 0 | 0 | 0 | 114 | K87 D120 S125 | K87-N127 PolarHBondContact NZ-O 2.83Å; K87-N127 PolarHBondContact NZ-OD1 3.39Å; K87-N127 VanDerWaalsContact NZ-OD1 3.08Å; D120-N127 HydrophobicContact CB-CB 4.04Å; S125-N127 PolarHBondContact O-N 3.11Å; S125-N127 PolarHBondContact OG-N 2.96Å |
| 128 | H | 88.2 | Confident | 86.3 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | trans | -63.4 | 164.8 | 170.5 | -163.7 | 72.2 | 0 | 0 | 0 | 111.4 | E40 V86 N119 D120 D123 S125 | E40-H128 IonicContact OE2-CD2 3.61Å; V86-H128 WeakPolarHBondContact CG2-O 3.34Å; N119-H128 VanDerWaalsContact OD1-CA 3.28Å; N119-H128 WeakPolarHBondContact OD1-CA 3.05Å; N119-H128 PolarHBondContact OD1-ND1 3.49Å; D120-H128 PolarHBondContact O-ND1 3.21Å; D123-H128 IonicContact OD1-CE1 3.66Å; D123-H128 IonicContact OD1-NE2 2.99Å; S125-H128 VanDerWaalsContact O-CB 3.32Å; S125-H128 WeakPolarHBondContact O-CB 3.44Å; S125-H128 PolarHBondContact O-N 3.33Å | ||
| 129 | H | 90.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | trans | -162 | 139.9 | 163.3 | 57.5 | -101.6 | 0 | 0 | 0 | 111.2 | L42 V86 Q115 N119 | L42-H129 HydrophobicContact CB-CB 3.81Å; L42-H129 VanDerWaalsContact CB-CG 3.49Å; L42-H129 WeakPolarHBondContact CD2-CE1 3.28Å; V86-H129 HydrophobicContact CG2-CB 4.03Å; Q115-H129 PolarHBondContact OE1-NE2 3.08Å; N119-H129 VanDerWaalsContact CB-CE1 3.45Å; N119-H129 WeakPolarHBondContact CB-CE1 3.47Å; N119-H129 VanDerWaalsContact CG-CE1 3.44Å; N119-H129 PolarHBondContact ND2-NE2 2.82Å; N119-H129 PolarHBondContact ND2-O 3.08Å; N119-H129 PolarHBondContact OD1-N 2.92Å | ||
| 130 | D | 92.2 | Very high | 86 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -66.2 | -39.8 | 172.3 | -67.2 | -35.4 | 0 | 0 | 0 | 111.9 | V39 E40 M158 S164 C253 | V39-D130 VanDerWaalsContact CA-OD2 3.28Å; V39-D130 WeakPolarHBondContact CA-OD2 3.05Å; V39-D130 HydrophobicContact CG1-CB 4.48Å; E40-D130 HydrophobicContact CB-CB 4.39Å; E40-D130 PolarHBondContact N-OD2 2.81Å; E40-D130 PolarHBondContact O-N 3.17Å; D130-M158 HydrophobicContact CB-SD 4.37Å; D130-S164 WeakPolarHBondContact O-CB 3.31Å; D130-S164 PolarHBondContact O-OG 2.73Å; D130-C253 WeakPolarHBondContact OD1-CB 3.47Å; D130-C253 PolarHBondContact OD1-SG 2.85Å |
| 131 | V | 94.5 | Very high | 86 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 140.4 | -164.8 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | V39 E40 L41 L42 M158 S164 L183 I186 | V39-V131 HydrophobicContact CG1-CG1 3.63Å; E40-V131 PolarHBondContact O-N 3.07Å; L41-V131 HydrophobicContact CD1-CG1 3.9Å; L42-V131 PolarHBondContact N-O 2.86Å; V131-M158 HydrophobicContact CB-SD 3.99Å; V131-M158 HydrophobicContact CG1-SD 4.27Å; V131-S164 WeakPolarHBondContact CA-O 3.4Å; V131-S164 WeakPolarHBondContact CA-OG 3.04Å; V131-S164 WeakPolarHBondContact CB-OG 3.42Å; V131-L183 HydrophobicContact CG1-CD2 4.23Å; V131-L183 HydrophobicContact CG2-CD2 3.95Å; V131-I186 HydrophobicContact CG2-CD1 3.74Å; V131-I186 HydrophobicContact CG2-CG2 4.46Å |
| 132 | A | 95.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L42 F111 Q115 S164 C165 A166 | L42-A132 HydrophobicContact CB-CB 4.31Å; L42-A132 HydrophobicContact CD2-CB 4.02Å; L42-A132 HydrophobicContact CG-CB 4.33Å; L42-A132 CarbonylContact O-C 3.58Å; L42-A132 WeakPolarHBondContact O-CA 3.17Å; F111-A132 HydrophobicContact CE1-CB 4.04Å; F111-A132 WeakPolarHBondContact CE1-O 3.26Å; F111-A132 HydrophobicContact CZ-CB 3.64Å; Q115-A132 HydrophobicContact CB-CB 3.69Å; Q115-A132 HydrophobicContact CG-CB 3.71Å; A132-S164 PolarHBondContact N-O 3.19Å; A132-C165 CarbonylContact O-C 3.52Å; A132-C165 VanDerWaalsContact O-CA 3.26Å; A132-C165 WeakPolarHBondContact O-CA 3.45Å; A132-A166 PolarHBondContact O-N 2.89Å |
| 133 | V | 96.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.2 | 177 | 160.8 | 0 | 0 | 0 | 0 | 110.3 | L41 L42 V43 V44 L135 A166 I168 I179 | L41-V133 HydrophobicContact CD1-CB 4.11Å; L41-V133 HydrophobicContact CD1-CG2 3.74Å; L42-V133 PolarHBondContact O-N 3.16Å; V43-V133 CarbonylContact C-O 3.46Å; V43-V133 WeakPolarHBondContact CA-O 3.46Å; V43-V133 HydrophobicContact CG2-CB 4.31Å; V44-V133 PolarHBondContact N-O 2.84Å; V133-L135 HydrophobicContact CG1-CG 4.23Å; V133-A166 HydrophobicContact CG2-CB 4.37Å; V133-I168 HydrophobicContact CG1-CD1 3.82Å; V133-I168 HydrophobicContact CG2-CD1 4.32Å; V133-I179 HydrophobicContact CG2-CG2 4.45Å |
| 134 | L | 96.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.9 | 170.7 | 177.2 | 64 | 0 | 0 | 0 | 110.3 | V44 P98 I100 T107 F111 A166 I167 I168 | V44-L134 HydrophobicContact CB-CD1 4.08Å; V44-L134 HydrophobicContact CG1-CD1 3.98Å; P98-L134 HydrophobicContact CG-CD1 4.16Å; P98-L134 HydrophobicContact CG-CD2 3.98Å; I100-L134 HydrophobicContact CD1-CD1 4.36Å; I100-L134 HydrophobicContact CD1-CD2 4.12Å; I100-L134 HydrophobicContact CG1-CD2 4.09Å; T107-L134 HydrophobicContact CG2-CD2 4.22Å; F111-L134 HydrophobicContact CB-CD2 4.14Å; F111-L134 HydrophobicContact CD1-CB 3.73Å; F111-L134 HydrophobicContact CD2-CB 4Å; F111-L134 HydrophobicContact CD2-CD2 4.23Å; F111-L134 HydrophobicContact CE1-CB 3.64Å; F111-L134 HydrophobicContact CE2-CB 3.91Å; F111-L134 HydrophobicContact CG-CB 3.91Å; F111-L134 HydrophobicContact CG-CD2 4.04Å; F111-L134 HydrophobicContact CZ-CB 3.72Å; L134-A166 PolarHBondContact N-O 2.75Å; L134-I167 HydrophobicContact CB-CG2 4.14Å; L134-I167 HydrophobicContact CD2-CG2 4.09Å; L134-I168 PolarHBondContact O-N 2.95Å |
| 135 | L | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130 | 170 | -70.4 | 168.4 | 0 | 0 | 0 | 110.2 | V43 V44 T45 D46 M49 V61 L64 V133 I168 I179 | V43-L135 HydrophobicContact CG1-CD1 3.8Å; V43-L135 HydrophobicContact CG1-CG 4.42Å; V44-L135 PolarHBondContact O-N 2.73Å; T45-L135 WeakPolarHBondContact CA-O 3.37Å; T45-L135 HydrophobicContact CG2-CB 4.03Å; T45-L135 HydrophobicContact CG2-CD1 4.44Å; D46-L135 PolarHBondContact N-O 2.89Å; M49-L135 HydrophobicContact CE-CB 4.12Å; M49-L135 WeakPolarHBondContact CG-O 3.26Å; M49-L135 HydrophobicContact SD-CB 4.45Å; V61-L135 HydrophobicContact CG1-CD1 4.31Å; V61-L135 HydrophobicContact CG2-CD1 4.16Å; L64-L135 HydrophobicContact CD1-CD1 4.13Å; V133-L135 HydrophobicContact CG1-CG 4.23Å; L135-I168 WeakPolarHBondContact CA-O 3.04Å; L135-I168 HydrophobicContact CD2-CB 3.91Å; L135-I168 HydrophobicContact CD2-CG2 3.77Å; L135-I179 HydrophobicContact CD1-CD1 4.48Å; L135-I179 HydrophobicContact CD2-CD1 4.08Å; L135-I179 HydrophobicContact CD2-CG1 4.34Å |
| 136 | T | 92.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 148.3 | -178.4 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | D46 H138 I168 D170 | D46-T136 WeakPolarHBondContact OD2-CB 3.39Å; D46-T136 PolarHBondContact OD2-OG1 2.86Å; T136-H138 VanDerWaalsContact C-N 3.25Å; T136-H138 HydrophobicContact CG2-CB 4.17Å; T136-H138 WeakPolarHBondContact OG1-CB 3.45Å; T136-H138 PolarHBondContact OG1-N 3.37Å; T136-I168 PolarHBondContact N-O 3.49Å; T136-D170 PolarHBondContact O-N 2.98Å |
| 137 | R | 88.3 | Confident | 84.5 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -96 | 43 | 162.7 | -72.5 | -73.5 | -93.9 | -174 | -10.2 | 110.4 | R48 M49 Y52 D170 F285 | R48-R137 HydrophobicContact CB-CB 3.93Å; R48-R137 VanDerWaalsContact CD-O 3.23Å; R48-R137 WeakPolarHBondContact CD-O 3.2Å; R48-R137 PolarHBondContact NH1-O 3.24Å; M49-R137 HydrophobicContact SD-CG 3.84Å; Y52-R137 PolarHBondContact OH-NH2 2.91Å; R137-D170 WeakPolarHBondContact CD-O 3.3Å; R137-D170 WeakPolarHBondContact CD-OD2 3.31Å; R137-D170 HydrophobicContact CG-CB 4.11Å; R137-D170 PolarHBondContact NH1-O 2.83Å; R137-F285 PolarHBondContact NH2-O 3.45Å |
| 138 | H | 87.5 | Confident | 84.2 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -113.4 | 124 | 171.5 | -169.9 | 110.9 | 0 | 0 | 0 | 107.6 | R48 I100 N101 D102 T136 I140 | R48-H138 PolarHBondContact NH1-ND1 3.48Å; R48-H138 PolarHBondContact NH2-ND1 3.24Å; I100-H138 HydrophobicContact CG2-CB 3.67Å; N101-H138 WeakPolarHBondContact CA-NE2 3.42Å; D102-H138 PolarHBondContact N-NE2 2.75Å; D102-H138 IonicContact OD1-CE1 2.75Å; D102-H138 IonicContact OD1-NE2 3.91Å; D102-H138 PolarHBondContact OD1-NE2 2.82Å; T136-H138 VanDerWaalsContact C-N 3.25Å; T136-H138 HydrophobicContact CG2-CB 4.17Å; T136-H138 WeakPolarHBondContact OG1-CB 3.45Å; T136-H138 PolarHBondContact OG1-N 3.37Å; H138-I140 PolarHBondContact O-N 3.42Å |
| 139 | D | 83.8 | Confident | 83.5 | Confident | 86 Ų | 86 | 49.8 Ų | 49.8 | 46% | 0.46 | 27% | 0.268 | S | S | . | . | trans | -60.8 | 112.2 | 179.3 | -172.1 | 5.9 | 0 | 0 | 0 | 109.9 | C147 E169 | D139-C147 WeakPolarHBondContact OD1-CB 3.42Å; D139-E169 WeakPolarHBondContact CA-OE2 3.03Å | ||
| 140 | I | 83.5 | Confident | 83 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -104 | 89.8 | -171 | 42.5 | 159.5 | 0 | 0 | 0 | 112.2 | A104 H138 T149 I167 E169 | A104-I140 HydrophobicContact CB-CB 4.2Å; H138-I140 PolarHBondContact O-N 3.42Å; I140-T149 WeakPolarHBondContact CG1-O 3.31Å; I140-I167 HydrophobicContact CD1-CD1 4.08Å; I140-I167 HydrophobicContact CD1-CG1 4.19Å; I140-I167 HydrophobicContact CG2-CD1 4.38Å; I140-E169 HydrophobicContact CD1-CB 4.13Å; I140-E169 HydrophobicContact CG1-CB 3.91Å; I140-E169 HydrophobicContact CG1-CG 4.49Å; I140-E169 PolarHBondContact N-OE2 2.97Å | ||
| 141 | C | 83.1 | Confident | 82.9 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 135.6 | -176.1 | -43.5 | 0 | 0 | 0 | 0 | 113.4 | D102 A104 L143 C147 | D102-C141 WeakPolarHBondContact O-CA 3.07Å; D102-C141 WeakPolarHBondContact O-CB 3.07Å; D102-C141 PolarHBondContact O-N 2.97Å; A104-C141 PolarHBondContact N-O 3.02Å; C141-L143 VanDerWaalsContact C-N 3.32Å; C141-L143 VanDerWaalsContact CB-O 3.31Å; C141-L143 WeakPolarHBondContact CB-O 3.46Å; C141-C147 HydrophobicContact CB-CB 3.78Å; C141-C147 WeakPolarHBondContact CB-SG 3.09Å; C141-C147 WeakPolarHBondContact SG-CB 3.23Å; C141-C147 CovalentContact SG-SG 2.04Å; C141-C147 PolarHBondContact SG-SG 3.39Å |
| 142 | R | 73.7 | Confident | 82.7 | Confident | 195 Ų | 195 | 54.1 Ų | 54.1 | 74% | 0.736 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -70.4 | -30.7 | 168.6 | 179.2 | 175.7 | 177.6 | 174.2 | 2.6 | 112.2 | K146 T149 | R142-K146 PolarHBondContact N-O 2.96Å; R142-T149 HydrophobicContact CB-CG2 4.35Å; R142-T149 WeakPolarHBondContact CB-OG1 3.43Å |
| 143 | L | 70.5 | Confident | 82.6 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 58% | 0.576 | 30% | 0.299 | S | S | * | . | B | Isolated β-bridge | trans | -144.8 | 149.1 | 171.9 | -70.7 | 171.8 | 0 | 0 | 0 | 108 | C141 G145 K146 | C141-L143 VanDerWaalsContact C-N 3.32Å; C141-L143 VanDerWaalsContact CB-O 3.31Å; C141-L143 WeakPolarHBondContact CB-O 3.46Å; L143-G145 PolarHBondContact O-N 2.97Å; L143-G145 VanDerWaalsContact O-N 3.16Å; L143-K146 HydrophobicContact CB-CB 4.34Å; L143-K146 CarbonylContact O-C 3.55Å; L143-K146 PolarHBondContact O-N 2.81Å |
| 144 | P | 69.2 | Low | 82.2 | Confident | 133 Ų | 133 | 58.3 Ų | 58.3 | 86% | 0.864 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 122.8 | 177.3 | -27.3 | 35.4 | 0 | 0 | 0 | 112.1 | ||
| 145 | G | 68.9 | Low | 81.7 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 77% | 0.773 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 11.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L143 | L143-G145 PolarHBondContact O-N 2.97Å; L143-G145 VanDerWaalsContact O-N 3.16Å |
| 146 | K | 71.4 | Confident | 81.2 | Confident | 132 Ų | 132 | 62.7 Ų | 62.7 | 57% | 0.574 | 34% | 0.341 | S | S | * | . | B | Isolated β-bridge | trans | -131 | 94.4 | 168 | -75.3 | -155.4 | 168.1 | -142.7 | 0 | 110.2 | R142 L143 | R142-K146 PolarHBondContact N-O 2.96Å; L143-K146 HydrophobicContact CB-CB 4.34Å; L143-K146 CarbonylContact O-C 3.55Å; L143-K146 PolarHBondContact O-N 2.81Å |
| 147 | C | 73.5 | Confident | 81 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | trans | -121.5 | 29.4 | -168.3 | -34.7 | 0 | 0 | 0 | 0 | 112.6 | D139 C141 T149 | D139-C147 WeakPolarHBondContact OD1-CB 3.42Å; C141-C147 HydrophobicContact CB-CB 3.78Å; C141-C147 WeakPolarHBondContact CB-SG 3.09Å; C141-C147 WeakPolarHBondContact SG-CB 3.23Å; C141-C147 CovalentContact SG-SG 2.04Å; C141-C147 PolarHBondContact SG-SG 3.39Å; C147-T149 PolarHBondContact O-N 2.03Å | ||
| 148 | D | 72 | Confident | 81.1 | Confident | 147 Ų | 147 | 59.8 Ų | 59.8 | 79% | 0.786 | 33% | 0.33 | S | S | * | . | trans | -71.8 | 21 | 172 | -39.1 | -85.2 | 0 | 0 | 0 | 112.8 | ||||
| 149 | T | 73.4 | Confident | 81 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 18% | 0.184 | 34% | 0.338 | C | S | . | . | trans | -114.6 | 84.5 | -162.4 | -54.2 | 0 | 0 | 0 | 0 | 111 | I140 R142 C147 G151 | I140-T149 WeakPolarHBondContact CG1-O 3.31Å; R142-T149 HydrophobicContact CB-CG2 4.35Å; R142-T149 WeakPolarHBondContact CB-OG1 3.43Å; C147-T149 PolarHBondContact O-N 2.03Å; T149-G151 WeakPolarHBondContact CG2-O 3.43Å; T149-G151 PolarHBondContact O-N 3.02Å | ||
| 150 | L | 80.1 | Confident | 81.1 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | trans | -69.2 | -15.7 | -174 | -60.9 | 174.6 | 0 | 0 | 0 | 114.9 | E169 N171 T178 | L150-E169 PolarHBondContact O-N 2.91Å; L150-N171 WeakPolarHBondContact CD1-ND2 3.46Å; L150-N171 HydrophobicContact CD2-CB 4.48Å; L150-N171 WeakPolarHBondContact CD2-ND2 3.43Å; L150-T178 HydrophobicContact CB-CG2 3.96Å | ||
| 151 | G | 90.2 | Very high | 81 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 162.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T149 I167 E182 | T149-G151 WeakPolarHBondContact CG2-O 3.43Å; T149-G151 PolarHBondContact O-N 3.02Å; G151-I167 CarbonylContact C-O 3.55Å; G151-I167 VanDerWaalsContact CA-O 3.26Å; G151-I167 WeakPolarHBondContact CA-O 3.24Å; G151-E182 WeakPolarHBondContact CA-OE1 3.36Å |
| 152 | L | 91.5 | Very high | 81 | Confident | 42 Ų | 42 | 67 Ų | 67 | 22% | 0.22 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 128.1 | 172.3 | -170.7 | 69.5 | 0 | 0 | 0 | 112.6 | A104 L108 A166 I167 E182 | A104-L152 HydrophobicContact CB-CD2 3.94Å; L108-L152 HydrophobicContact CB-CD2 4.38Å; L108-L152 HydrophobicContact CD2-CD2 3.95Å; L108-L152 HydrophobicContact CD2-CG 3.94Å; L152-A166 WeakPolarHBondContact O-CA 3.43Å; L152-I167 HydrophobicContact CB-CD1 4.29Å; L152-I167 HydrophobicContact CB-CG1 3.89Å; L152-I167 PolarHBondContact N-O 2.93Å; L152-I167 PolarHBondContact O-N 3.4Å; L152-E182 VanDerWaalsContact C-OE2 3.26Å; L152-E182 WeakPolarHBondContact CA-OE2 3.33Å; L152-E182 PolarHBondContact N-OE2 2.75Å |
| 153 | A | 92.1 | Very high | 81.7 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 169.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A166 E182 H185 I186 | A153-A166 HydrophobicContact CB-CB 3.92Å; A153-E182 HydrophobicContact CB-CB 4.13Å; A153-E182 PolarHBondContact N-OE2 2.71Å; A153-H185 HydrophobicContact CB-CB 4.42Å; A153-I186 HydrophobicContact CB-CD1 4.1Å; A153-I186 HydrophobicContact CB-CG1 3.81Å |
| 154 | E | 89.3 | Confident | 82.7 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | trans | -91.3 | 145.1 | 167.5 | -74.7 | -168.7 | -164.5 | 0 | 0 | 111.1 | T157 R163 | E154-T157 HydrophobicContact CB-CG2 3.64Å; E154-T157 PolarHBondContact O-OG1 3.42Å; E154-R163 WeakPolarHBondContact OE2-CD 3.13Å; E154-R163 IonicContact OE2-CZ 3.63Å; E154-R163 IonicContact OE2-NE 3.69Å; E154-R163 IonicContact OE2-NH1 3.72Å; E154-R163 PolarHBondContact OE2-NH1 3.43Å | ||
| 155 | L | 85.5 | Confident | 84 | Confident | 80 Ų | 80 | 51 Ų | 51 | 42% | 0.419 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 128.9 | -179.3 | -83.8 | 78.3 | 0 | 0 | 0 | 112.1 | H185 P190 | L155-H185 CarbonylContact C-O 3.48Å; L155-H185 VanDerWaalsContact CA-O 3.28Å; L155-H185 WeakPolarHBondContact CA-O 3.42Å; L155-H185 HydrophobicContact CD1-CB 4.27Å; L155-H185 HydrophobicContact CG-CB 4.22Å; L155-P190 HydrophobicContact CD2-CB 4.47Å |
| 156 | G | 85.1 | Confident | 85.3 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 39.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H185 I186 | G156-H185 PolarHBondContact N-O 3.08Å; G156-I186 CarbonylContact C-O 3.41Å; G156-I186 VanDerWaalsContact CA-O 3.24Å; G156-I186 WeakPolarHBondContact CA-O 3.24Å |
| 157 | T | 88.2 | Confident | 86.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -108.3 | 12.7 | -176.4 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | E154 D160 R163 S164 I186 | E154-T157 HydrophobicContact CB-CG2 3.64Å; E154-T157 PolarHBondContact O-OG1 3.42Å; T157-D160 WeakPolarHBondContact O-CB 3.04Å; T157-D160 PolarHBondContact O-N 3.4Å; T157-R163 WeakPolarHBondContact CB-O 3.02Å; T157-R163 HydrophobicContact CG2-CB 3.89Å; T157-R163 PolarHBondContact OG1-O 3.06Å; T157-S164 WeakPolarHBondContact O-CA 3.23Å; T157-S164 WeakPolarHBondContact O-CB 3.37Å; T157-S164 PolarHBondContact O-OG 3.2Å; T157-I186 PolarHBondContact N-O 2.96Å; T157-I186 VanDerWaalsContact N-O 3.16Å | ||
| 158 | M | 90 | Very high | 87.5 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 142.8 | 170.8 | -158.6 | 63 | 89.7 | 0 | 0 | 110.7 | V39 D130 V131 D160 I186 F187 F235 M254 | V39-M158 HydrophobicContact CG1-CE 3.98Å; V39-M158 HydrophobicContact CG1-SD 4.36Å; D130-M158 HydrophobicContact CB-SD 4.37Å; V131-M158 HydrophobicContact CB-SD 3.99Å; V131-M158 HydrophobicContact CG1-SD 4.27Å; M158-D160 PolarHBondContact O-N 3.17Å; M158-I186 HydrophobicContact CB-CG2 3.89Å; M158-I186 HydrophobicContact CE-CG2 3.83Å; M158-I186 HydrophobicContact CG-CG2 4.48Å; M158-I186 PolarHBondContact N-O 3.5Å; M158-I186 HydrophobicContact SD-CG2 3.85Å; M158-F187 HydrophobicContact CE-CD1 4.24Å; M158-F187 HydrophobicContact CE-CD2 4.2Å; M158-F187 HydrophobicContact CE-CE1 3.78Å; M158-F187 HydrophobicContact CE-CE2 3.72Å; M158-F187 HydrophobicContact CE-CG 4.43Å; M158-F187 HydrophobicContact CE-CZ 3.48Å; M158-F187 VanDerWaalsContact CE-CZ 3.48Å; M158-F235 HydrophobicContact CB-CE1 3.86Å; M158-F235 HydrophobicContact CB-CZ 3.77Å; M158-M254 HydrophobicContact CB-CE 4.41Å; M158-M254 HydrophobicContact CE-SD 4.29Å; M158-M254 HydrophobicContact CG-CE 3.66Å; M158-M254 HydrophobicContact CG-CG 4.37Å; M158-M254 HydrophobicContact CG-SD 3.64Å; M158-M254 HydrophobicContact SD-SD 4.38Å |
| 159 | C | 85.5 | Confident | 88.5 | Confident | 35 Ų | 35 | 34 Ų | 34 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 11.3 | -169 | -46.8 | 0 | 0 | 0 | 0 | 115.8 | P161 C253 | C159-P161 WeakPolarHBondContact O-CD 3.29Å; C159-C253 WeakPolarHBondContact CA-SG 3.49Å; C159-C253 HydrophobicContact CB-CB 3.98Å; C159-C253 WeakPolarHBondContact CB-SG 3.21Å; C159-C253 WeakPolarHBondContact SG-CB 2.99Å; C159-C253 PolarHBondContact SG-N 3.04Å; C159-C253 VanDerWaalsContact SG-N 3.42Å; C159-C253 CovalentContact SG-SG 2.04Å; C159-C253 PolarHBondContact SG-SG 2.88Å |
| 160 | D | 86.5 | Confident | 89.3 | Confident | 35 Ų | 35 | 32.7 Ų | 32.7 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | trans | -88.7 | 108.1 | 170.5 | -173.2 | -48.5 | 0 | 0 | 0 | 110.1 | T157 M158 F162 R163 S164 | T157-D160 WeakPolarHBondContact O-CB 3.04Å; T157-D160 PolarHBondContact O-N 3.4Å; M158-D160 PolarHBondContact O-N 3.17Å; D160-F162 PolarHBondContact O-N 3.06Å; D160-F162 WeakPolarHBondContact OD1-CA 3.46Å; D160-F162 PolarHBondContact OD1-N 3.32Å; D160-R163 HydrophobicContact CB-CB 4.21Å; D160-R163 PolarHBondContact O-N 3.14Å; D160-R163 VanDerWaalsContact O-N 3.07Å; D160-R163 PolarHBondContact OD1-N 3.4Å; D160-R163 IonicContact OD1-NE 2.74Å; D160-R163 IonicContact OD2-CZ 2.75Å; D160-R163 IonicContact OD2-NE 3.16Å; D160-R163 PolarHBondContact OD2-NE 3.07Å; D160-R163 IonicContact OD2-NH2 3.61Å; D160-R163 PolarHBondContact OD2-NH2 2.94Å; D160-S164 WeakPolarHBondContact O-CB 3.47Å; D160-S164 PolarHBondContact O-N 3.25Å | ||
| 161 | P | 80.7 | Confident | 89.3 | Confident | 66 Ų | 66 | 30.5 Ų | 30.5 | 43% | 0.429 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.6 | -172.9 | 25.4 | -34.9 | 0 | 0 | 0 | 113.5 | Q115 H116 C159 | Q115-P161 PolarHBondContact NE2-O 2.94Å; H116-P161 PolarHBondContact CD2-O 2.82Å; H116-P161 VanDerWaalsContact CD2-O 3.3Å; C159-P161 WeakPolarHBondContact O-CD 3.29Å |
| 162 | F | 83.9 | Confident | 89 | Confident | 127 Ų | 127 | 30 Ų | 30 | 56% | 0.557 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -18.1 | 178.5 | -62 | -80.2 | 0 | 0 | 0 | 113.7 | C112 H116 D160 | C112-F162 WeakPolarHBondContact CB-O 3.48Å; H116-F162 AromaticContact CD2-CD1 3.83Å; H116-F162 AromaticContact CD2-CE1 3.76Å; H116-F162 AromaticContact CE1-CE1 3.45Å; H116-F162 VanDerWaalsContact CE1-CE1 3.45Å; H116-F162 WeakPolarHBondContact CE1-CE1 3.44Å; H116-F162 AromaticContact CE1-CZ 3.95Å; H116-F162 AromaticContact CG-CD1 3.96Å; H116-F162 AromaticContact CG-CE1 4Å; H116-F162 AromaticContact ND1-CE1 3.81Å; H116-F162 AromaticContact NE2-CD1 3.97Å; H116-F162 AromaticContact NE2-CE1 3.38Å; H116-F162 WeakPolarHBondContact NE2-CE1 3.23Å; H116-F162 AromaticContact NE2-CZ 3.58Å; D160-F162 PolarHBondContact O-N 3.06Å; D160-F162 WeakPolarHBondContact OD1-CA 3.46Å; D160-F162 PolarHBondContact OD1-N 3.32Å |
| 163 | R | 88.3 | Confident | 88.6 | Confident | 98 Ų | 98 | 28.9 Ų | 28.9 | 37% | 0.37 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | 1.6 | -168.1 | -53.2 | -175.8 | -59.1 | 125.4 | 8 | 115.5 | E154 T157 D160 C165 | E154-R163 WeakPolarHBondContact OE2-CD 3.13Å; E154-R163 IonicContact OE2-CZ 3.63Å; E154-R163 IonicContact OE2-NE 3.69Å; E154-R163 IonicContact OE2-NH1 3.72Å; E154-R163 PolarHBondContact OE2-NH1 3.43Å; T157-R163 WeakPolarHBondContact CB-O 3.02Å; T157-R163 HydrophobicContact CG2-CB 3.89Å; T157-R163 PolarHBondContact OG1-O 3.06Å; D160-R163 HydrophobicContact CB-CB 4.21Å; D160-R163 PolarHBondContact O-N 3.14Å; D160-R163 VanDerWaalsContact O-N 3.07Å; D160-R163 PolarHBondContact OD1-N 3.4Å; D160-R163 IonicContact OD1-NE 2.74Å; D160-R163 IonicContact OD2-CZ 2.75Å; D160-R163 IonicContact OD2-NE 3.16Å; D160-R163 PolarHBondContact OD2-NE 3.07Å; D160-R163 IonicContact OD2-NH2 3.61Å; D160-R163 PolarHBondContact OD2-NH2 2.94Å; R163-C165 VanDerWaalsContact CA-SG 3.56Å; R163-C165 PolarHBondContact O-N 2.85Å; R163-C165 PolarHBondContact O-SG 3.24Å |
| 164 | S | 91.6 | Very high | 88 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | trans | -76.4 | 72.1 | 170.3 | -165.2 | 0 | 0 | 0 | 0 | 110.1 | D130 V131 A132 T157 D160 | D130-S164 WeakPolarHBondContact O-CB 3.31Å; D130-S164 PolarHBondContact O-OG 2.73Å; V131-S164 WeakPolarHBondContact CA-O 3.4Å; V131-S164 WeakPolarHBondContact CA-OG 3.04Å; V131-S164 WeakPolarHBondContact CB-OG 3.42Å; A132-S164 PolarHBondContact N-O 3.19Å; T157-S164 WeakPolarHBondContact O-CA 3.23Å; T157-S164 WeakPolarHBondContact O-CB 3.37Å; T157-S164 PolarHBondContact O-OG 3.2Å; D160-S164 WeakPolarHBondContact O-CB 3.47Å; D160-S164 PolarHBondContact O-N 3.25Å | ||
| 165 | C | 95.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.02 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 141.8 | -168.2 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | L108 F111 C112 Q115 A132 R163 | L108-C165 HydrophobicContact CD1-CB 4.48Å; F111-C165 HydrophobicContact CD1-CB 4.28Å; F111-C165 HydrophobicContact CE1-CB 4.25Å; C112-C165 HydrophobicContact CB-CB 4Å; C112-C165 WeakPolarHBondContact CB-SG 3.04Å; C112-C165 WeakPolarHBondContact SG-CB 3.21Å; C112-C165 CovalentContact SG-SG 2.02Å; C112-C165 PolarHBondContact SG-SG 3.22Å; Q115-C165 HydrophobicContact CG-CB 4.48Å; A132-C165 CarbonylContact O-C 3.52Å; A132-C165 VanDerWaalsContact O-CA 3.26Å; A132-C165 WeakPolarHBondContact O-CA 3.45Å; R163-C165 VanDerWaalsContact CA-SG 3.56Å; R163-C165 PolarHBondContact O-N 2.85Å; R163-C165 PolarHBondContact O-SG 3.24Å |
| 166 | A | 97.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F111 A132 V133 L134 L152 A153 I168 E182 I186 | F111-A166 VanDerWaalsContact CE1-O 3.3Å; F111-A166 WeakPolarHBondContact CE1-O 3.26Å; A132-A166 PolarHBondContact O-N 2.89Å; V133-A166 HydrophobicContact CG2-CB 4.37Å; L134-A166 PolarHBondContact N-O 2.75Å; L152-A166 WeakPolarHBondContact O-CA 3.43Å; A153-A166 HydrophobicContact CB-CB 3.92Å; A166-I168 HydrophobicContact CB-CD1 3.81Å; A166-E182 HydrophobicContact CB-CB 3.85Å; A166-I186 HydrophobicContact CB-CD1 4.1Å |
| 167 | I | 95.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.5 | 168 | 64.6 | 169.6 | 0 | 0 | 0 | 109.4 | A104 T107 L108 F111 L134 I140 G151 L152 | A104-I167 HydrophobicContact CB-CD1 4.1Å; A104-I167 VanDerWaalsContact O-CD1 3.22Å; A104-I167 WeakPolarHBondContact O-CD1 3.26Å; T107-I167 HydrophobicContact CG2-CD1 4.08Å; T107-I167 HydrophobicContact CG2-CG2 4.34Å; L108-I167 HydrophobicContact CB-CD1 4.08Å; L108-I167 HydrophobicContact CB-CG1 4.28Å; L108-I167 HydrophobicContact CB-CG2 4.19Å; L108-I167 HydrophobicContact CD1-CG2 3.94Å; F111-I167 HydrophobicContact CB-CG2 4.3Å; F111-I167 HydrophobicContact CD1-CG2 3.92Å; F111-I167 HydrophobicContact CG-CG2 4.43Å; L134-I167 HydrophobicContact CB-CG2 4.14Å; L134-I167 HydrophobicContact CD2-CG2 4.09Å; I140-I167 HydrophobicContact CD1-CD1 4.08Å; I140-I167 HydrophobicContact CD1-CG1 4.19Å; I140-I167 HydrophobicContact CG2-CD1 4.38Å; G151-I167 CarbonylContact C-O 3.55Å; G151-I167 VanDerWaalsContact CA-O 3.26Å; G151-I167 WeakPolarHBondContact CA-O 3.24Å; L152-I167 HydrophobicContact CB-CD1 4.29Å; L152-I167 HydrophobicContact CB-CG1 3.89Å; L152-I167 PolarHBondContact N-O 2.93Å; L152-I167 PolarHBondContact O-N 3.4Å |
| 168 | I | 95.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.9 | -178.6 | -68.4 | 93.8 | 0 | 0 | 0 | 109.5 | V133 L134 L135 T136 A166 A175 T178 I179 E182 | V133-I168 HydrophobicContact CG1-CD1 3.82Å; V133-I168 HydrophobicContact CG2-CD1 4.32Å; L134-I168 PolarHBondContact O-N 2.95Å; L135-I168 WeakPolarHBondContact CA-O 3.04Å; L135-I168 HydrophobicContact CD2-CB 3.91Å; L135-I168 HydrophobicContact CD2-CG2 3.77Å; T136-I168 PolarHBondContact N-O 3.49Å; A166-I168 HydrophobicContact CB-CD1 3.81Å; I168-A175 HydrophobicContact CG2-CB 4.4Å; I168-T178 HydrophobicContact CG1-CG2 4.25Å; I168-T178 HydrophobicContact CG2-CG2 4.04Å; I168-I179 HydrophobicContact CB-CG1 4.45Å; I168-I179 HydrophobicContact CD1-CG1 4.23Å; I168-I179 HydrophobicContact CG1-CG1 4.12Å; I168-I179 HydrophobicContact CG2-CG1 4.2Å; I168-E182 HydrophobicContact CD1-CB 4.32Å; I168-E182 HydrophobicContact CD1-CG 4.18Å; I168-E182 HydrophobicContact CG1-CG 4.03Å |
| 169 | E | 92.5 | Very high | 88.4 | Confident | 32 Ų | 32 | 22.3 Ų | 22.3 | 15% | 0.15 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127.2 | 168.9 | -164.6 | 179.4 | 118 | 0 | 0 | 110.1 | D139 I140 L150 N171 | D139-E169 WeakPolarHBondContact CA-OE2 3.03Å; I140-E169 HydrophobicContact CD1-CB 4.13Å; I140-E169 HydrophobicContact CG1-CB 3.91Å; I140-E169 HydrophobicContact CG1-CG 4.49Å; I140-E169 PolarHBondContact N-OE2 2.97Å; L150-E169 PolarHBondContact O-N 2.91Å; E169-N171 PolarHBondContact O-N 3.02Å |
| 170 | D | 89.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | trans | -75.8 | 115.7 | 172.3 | 173.9 | 36 | 0 | 0 | 0 | 110.4 | M49 H53 Y60 T136 R137 G172 | M49-D170 HydrophobicContact CE-CB 3.87Å; M49-D170 HydrophobicContact SD-CB 3.36Å; M49-D170 WeakPolarHBondContact SD-CB 3.47Å; M49-D170 VanDerWaalsContact SD-OD2 3.42Å; H53-D170 IonicContact CD2-OD2 3.14Å; H53-D170 IonicContact CE1-OD2 2.73Å; H53-D170 IonicContact NE2-OD2 3Å; H53-D170 PolarHBondContact NE2-OD2 3.21Å; Y60-D170 WeakPolarHBondContact CE1-OD1 3.33Å; Y60-D170 PolarHBondContact OH-OD1 2.97Å; T136-D170 PolarHBondContact O-N 2.98Å; R137-D170 WeakPolarHBondContact CD-O 3.3Å; R137-D170 WeakPolarHBondContact CD-OD2 3.31Å; R137-D170 HydrophobicContact CG-CB 4.11Å; R137-D170 PolarHBondContact NH1-O 2.83Å; D170-G172 PolarHBondContact OD1-N 2.61Å | ||
| 171 | N | 80.3 | Confident | 89.1 | Confident | 6 Ų | 6 | 20.1 Ų | 20.1 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | trans | -121.3 | 12.7 | 176.1 | 68.8 | 9.4 | 0 | 0 | 0 | 113.6 | L150 E169 S174 A175 V286 | L150-N171 WeakPolarHBondContact CD1-ND2 3.46Å; L150-N171 HydrophobicContact CD2-CB 4.48Å; L150-N171 WeakPolarHBondContact CD2-ND2 3.43Å; E169-N171 PolarHBondContact O-N 3.02Å; N171-S174 WeakPolarHBondContact OD1-CB 3.49Å; N171-S174 PolarHBondContact OD1-OG 3.01Å; N171-A175 PolarHBondContact OD1-N 2.72Å; N171-V286 WeakPolarHBondContact O-CA 3.44Å; N171-V286 WeakPolarHBondContact O-CG2 3.38Å | ||
| 172 | G | 84.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 115.3 | -171.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y60 D170 S174 A175 | Y60-G172 WeakPolarHBondContact OH-CA 3.44Å; Y60-G172 PolarHBondContact OH-N 3.01Å; Y60-G172 PolarHBondContact OH-O 2.78Å; Y60-G172 VanDerWaalsContact OH-O 3.12Å; D170-G172 PolarHBondContact OD1-N 2.61Å; G172-S174 PolarHBondContact O-N 3.29Å; G172-A175 VanDerWaalsContact O-CB 3.23Å; G172-A175 WeakPolarHBondContact O-CB 3.15Å; G172-A175 PolarHBondContact O-N 3.21Å |
| 173 | L | 82.3 | Confident | 90.4 | Very high | 17 Ų | 17 | 11.6 Ų | 11.6 | 9% | 0.089 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.4 | -179.3 | -63 | -177.5 | 0 | 0 | 0 | 113.4 | Y60 T63 L64 A175 A176 P273 F277 Q282 A325 | Y60-L173 HydrophobicContact CD2-CD2 4.15Å; Y60-L173 HydrophobicContact CE2-CD2 3.75Å; T63-L173 HydrophobicContact CG2-CD2 4.09Å; L64-L173 HydrophobicContact CD2-CD2 4.05Å; L173-A175 PolarHBondContact O-N 3.33Å; L173-A176 WeakPolarHBondContact O-CB 3.37Å; L173-A176 PolarHBondContact O-N 3.48Å; L173-P273 HydrophobicContact CD1-CB 4.47Å; L173-F277 HydrophobicContact CD1-CB 4.2Å; L173-F277 HydrophobicContact CD1-CD2 4.25Å; L173-F277 HydrophobicContact CD1-CG 4.48Å; L173-F277 HydrophobicContact CD2-CD2 4.25Å; L173-F277 HydrophobicContact CD2-CE2 4.47Å; L173-Q282 HydrophobicContact CD1-CG 3.97Å; L173-A325 HydrophobicContact CD1-CB 3.76Å |
| 174 | S | 79.9 | Confident | 90.6 | Very high | 10 Ų | 10 | 7 Ų | 7 | 7% | 0.07 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.8 | 166.8 | 36.6 | 0 | 0 | 0 | 0 | 114.6 | N171 G172 A176 F177 M322 | N171-S174 WeakPolarHBondContact OD1-CB 3.49Å; N171-S174 PolarHBondContact OD1-OG 3.01Å; G172-S174 PolarHBondContact O-N 3.29Å; S174-A176 PolarHBondContact O-N 2.95Å; S174-A176 VanDerWaalsContact O-N 3.15Å; S174-F177 PolarHBondContact O-N 3.34Å; S174-F177 VanDerWaalsContact O-N 3.14Å; S174-M322 WeakPolarHBondContact O-CE 3.34Å |
| 175 | A | 88.3 | Confident | 90.8 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.9 | -27.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L64 I168 N171 G172 L173 F177 T178 I179 | L64-A175 HydrophobicContact CD1-CB 4.2Å; L64-A175 HydrophobicContact CD2-CB 4.28Å; I168-A175 HydrophobicContact CG2-CB 4.4Å; N171-A175 PolarHBondContact OD1-N 2.72Å; G172-A175 VanDerWaalsContact O-CB 3.23Å; G172-A175 WeakPolarHBondContact O-CB 3.15Å; G172-A175 PolarHBondContact O-N 3.21Å; L173-A175 PolarHBondContact O-N 3.33Å; A175-F177 VanDerWaalsContact C-N 3.32Å; A175-F177 PolarHBondContact O-N 3.23Å; A175-T178 WeakPolarHBondContact O-CA 3.46Å; A175-T178 WeakPolarHBondContact O-CB 2.98Å; A175-T178 PolarHBondContact O-N 3.5Å; A175-I179 WeakPolarHBondContact O-CG1 3.33Å; A175-I179 PolarHBondContact O-N 2.9Å |
| 176 | A | 88.5 | Confident | 90.7 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.008 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L64 I67 V68 L173 S174 T178 I179 A180 | L64-A176 HydrophobicContact CB-CB 4.27Å; L64-A176 HydrophobicContact CD2-CB 4.07Å; L64-A176 WeakPolarHBondContact O-CB 2.95Å; I67-A176 HydrophobicContact CB-CB 3.78Å; I67-A176 HydrophobicContact CD1-CB 4Å; I67-A176 HydrophobicContact CG2-CB 3.72Å; V68-A176 HydrophobicContact CG2-CB 4.26Å; V68-A176 VanDerWaalsContact CG2-O 3.24Å; V68-A176 WeakPolarHBondContact CG2-O 3.22Å; L173-A176 WeakPolarHBondContact O-CB 3.37Å; L173-A176 PolarHBondContact O-N 3.48Å; S174-A176 PolarHBondContact O-N 2.95Å; S174-A176 VanDerWaalsContact O-N 3.15Å; A176-T178 VanDerWaalsContact C-N 3.31Å; A176-I179 PolarHBondContact O-N 3.36Å; A176-A180 PolarHBondContact O-N 2.8Å |
| 177 | F | 87.2 | Confident | 90.4 | Very high | 22 Ų | 22 | 7.6 Ų | 7.6 | 10% | 0.096 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -72.2 | -29.2 | 176.4 | -60.7 | -69.7 | 0 | 0 | 0 | 111.9 | I67 V71 S174 A175 A180 H181 P221 W222 M322 P323 | I67-F177 HydrophobicContact CG2-CE1 4.27Å; I67-F177 HydrophobicContact CG2-CZ 4.26Å; V71-F177 HydrophobicContact CG2-CD1 4.46Å; V71-F177 HydrophobicContact CG2-CE1 4.19Å; S174-F177 PolarHBondContact O-N 3.34Å; S174-F177 VanDerWaalsContact O-N 3.14Å; A175-F177 VanDerWaalsContact C-N 3.32Å; A175-F177 PolarHBondContact O-N 3.23Å; F177-A180 PolarHBondContact O-N 2.67Å; F177-H181 WeakPolarHBondContact O-CB 3.39Å; F177-H181 PolarHBondContact O-N 3.3Å; F177-P221 HydrophobicContact CD1-CB 3.73Å; F177-P221 VanDerWaalsContact CD1-O 3.23Å; F177-P221 WeakPolarHBondContact CD1-O 3.35Å; F177-P221 HydrophobicContact CE1-CB 3.88Å; F177-P221 HydrophobicContact CE1-CG 4.3Å; F177-P221 WeakPolarHBondContact CE1-O 3.46Å; F177-P221 HydrophobicContact CG-CB 4.08Å; F177-P221 HydrophobicContact CZ-CB 4.35Å; F177-P221 HydrophobicContact CZ-CG 4.36Å; F177-W222 HydrophobicContact CE1-CG 4.42Å; F177-W222 AromaticContact CZ-NE1 3.95Å; F177-M322 HydrophobicContact CB-CE 3.74Å; F177-M322 HydrophobicContact CD2-CE 3.68Å; F177-M322 HydrophobicContact CD2-SD 3.61Å; F177-M322 HydrophobicContact CE2-SD 4.15Å; F177-M322 HydrophobicContact CG-CE 4.1Å; F177-M322 HydrophobicContact CG-SD 4.35Å; F177-P323 HydrophobicContact CE2-CG 4.39Å; F177-P323 HydrophobicContact CZ-CG 4.5Å |
| 178 | T | 89 | Confident | 90.2 | Very high | 13 Ų | 13 | 11.3 Ų | 11.3 | 8% | 0.08 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -68.4 | -44.7 | 172.9 | -46.9 | 0 | 0 | 0 | 0 | 110.7 | L150 I168 A175 A176 A180 H181 E182 | L150-T178 HydrophobicContact CB-CG2 3.96Å; I168-T178 HydrophobicContact CG1-CG2 4.25Å; I168-T178 HydrophobicContact CG2-CG2 4.04Å; A175-T178 WeakPolarHBondContact O-CA 3.46Å; A175-T178 WeakPolarHBondContact O-CB 2.98Å; A175-T178 PolarHBondContact O-N 3.5Å; A176-T178 VanDerWaalsContact C-N 3.31Å; T178-A180 VanDerWaalsContact C-N 3.28Å; T178-A180 PolarHBondContact O-N 3.05Å; T178-H181 WeakPolarHBondContact O-CB 3.48Å; T178-H181 PolarHBondContact O-N 3.18Å; T178-H181 VanDerWaalsContact O-N 3.13Å; T178-E182 WeakPolarHBondContact O-CG 3.45Å; T178-E182 PolarHBondContact O-N 2.74Å |
| 179 | I | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -56.7 | -43.4 | 172.1 | -61.1 | 164.9 | 0 | 0 | 0 | 110.6 | L64 V68 V133 L135 I168 A175 A176 L183 | L64-I179 HydrophobicContact CB-CD1 4.27Å; L64-I179 HydrophobicContact CD1-CD1 4.37Å; V68-I179 HydrophobicContact CG1-CG2 4.29Å; V68-I179 HydrophobicContact CG2-CB 3.83Å; V68-I179 HydrophobicContact CG2-CD1 4.4Å; V68-I179 HydrophobicContact CG2-CG2 3.79Å; V133-I179 HydrophobicContact CG2-CG2 4.45Å; L135-I179 HydrophobicContact CD1-CD1 4.48Å; L135-I179 HydrophobicContact CD2-CD1 4.08Å; L135-I179 HydrophobicContact CD2-CG1 4.34Å; I168-I179 HydrophobicContact CB-CG1 4.45Å; I168-I179 HydrophobicContact CD1-CG1 4.23Å; I168-I179 HydrophobicContact CG1-CG1 4.12Å; I168-I179 HydrophobicContact CG2-CG1 4.2Å; A175-I179 WeakPolarHBondContact O-CG1 3.33Å; A175-I179 PolarHBondContact O-N 2.9Å; A176-I179 PolarHBondContact O-N 3.36Å; I179-L183 HydrophobicContact CG2-CD1 3.89Å; I179-L183 HydrophobicContact CG2-CG 4.42Å; I179-L183 WeakPolarHBondContact O-CB 3.32Å; I179-L183 VanDerWaalsContact O-CG 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.17Å; I179-L183 PolarHBondContact O-N 2.85Å |
| 180 | A | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.1 | -35.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V71 F72 A176 F177 T178 G184 I210 | V71-A180 HydrophobicContact CG1-CB 4.01Å; F72-A180 HydrophobicContact CE2-CB 4.25Å; A176-A180 PolarHBondContact O-N 2.8Å; F177-A180 PolarHBondContact O-N 2.67Å; T178-A180 VanDerWaalsContact C-N 3.28Å; T178-A180 PolarHBondContact O-N 3.05Å; A180-G184 PolarHBondContact O-N 3.01Å; A180-I210 HydrophobicContact CB-CG2 4.36Å |
| 181 | H | 93 | Very high | 89.9 | Confident | 24 Ų | 24 | 12.8 Ų | 12.8 | 11% | 0.111 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.3 | -49.3 | 175.1 | -175.3 | 101.3 | 0 | 0 | 0 | 112 | F177 T178 L183 G184 H185 H191 I210 A212 | F177-H181 WeakPolarHBondContact O-CB 3.39Å; F177-H181 PolarHBondContact O-N 3.3Å; T178-H181 WeakPolarHBondContact O-CB 3.48Å; T178-H181 PolarHBondContact O-N 3.18Å; T178-H181 VanDerWaalsContact O-N 3.13Å; H181-L183 PolarHBondContact O-N 2.7Å; H181-G184 VanDerWaalsContact O-CA 3.3Å; H181-G184 WeakPolarHBondContact O-CA 3.49Å; H181-G184 PolarHBondContact O-N 2.7Å; H181-H185 AromaticContact CD2-CD2 3.6Å; H181-H185 AromaticContact CD2-NE2 3.4Å; H181-H185 PolarHBondContact CD2-NE2 2.81Å; H181-H185 AromaticContact CE1-NE2 3.95Å; H181-H185 AromaticContact NE2-CD2 3.69Å; H181-H185 AromaticContact NE2-CE1 3.99Å; H181-H185 AromaticContact NE2-NE2 2.97Å; H181-H185 PolarHBondContact NE2-NE2 2.85Å; H181-H185 PolarHBondContact O-N 3.43Å; H181-H191 AromaticContact CE1-CD2 3.59Å; H181-H191 AromaticContact CE1-NE2 3.73Å; H181-H191 AromaticContact NE2-CD2 3.61Å; H181-H191 AromaticContact NE2-NE2 3.32Å; H181-H191 PolarHBondContact NE2-NE2 3.04Å; H181-I210 PolarHBondContact ND1-O 2.9Å; H181-A212 PolarHBondContact CE1-O 2.88Å |
| 182 | E | 95.9 | Very high | 90 | Very high | 14 Ų | 14 | 12.7 Ų | 12.7 | 7% | 0.065 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 178.2 | -61.3 | -46.4 | 139.1 | 0 | 0 | 112.3 | G151 L152 A153 A166 I168 T178 G184 H185 I186 | G151-E182 WeakPolarHBondContact CA-OE1 3.36Å; L152-E182 VanDerWaalsContact C-OE2 3.26Å; L152-E182 WeakPolarHBondContact CA-OE2 3.33Å; L152-E182 PolarHBondContact N-OE2 2.75Å; A153-E182 HydrophobicContact CB-CB 4.13Å; A153-E182 PolarHBondContact N-OE2 2.71Å; A166-E182 HydrophobicContact CB-CB 3.85Å; I168-E182 HydrophobicContact CD1-CB 4.32Å; I168-E182 HydrophobicContact CD1-CG 4.18Å; I168-E182 HydrophobicContact CG1-CG 4.03Å; T178-E182 WeakPolarHBondContact O-CG 3.45Å; T178-E182 PolarHBondContact O-N 2.74Å; E182-G184 PolarHBondContact O-N 2.87Å; E182-H185 WeakPolarHBondContact O-CB 3.49Å; E182-H185 PolarHBondContact O-N 3.02Å; E182-H185 VanDerWaalsContact O-N 3.16Å; E182-H185 IonicContact OE2-CD2 2.99Å; E182-I186 WeakPolarHBondContact O-CG1 3.33Å; E182-I186 PolarHBondContact O-N 2.96Å |
| 183 | L | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.6 | -34 | 169.9 | -73 | 171.4 | 0 | 0 | 0 | 111.5 | V68 F72 V131 I179 H181 I186 F187 | V68-L183 HydrophobicContact CG1-CD1 4.01Å; F72-L183 HydrophobicContact CE2-CB 3.95Å; F72-L183 HydrophobicContact CE2-CD1 3.85Å; F72-L183 HydrophobicContact CZ-CB 3.66Å; F72-L183 HydrophobicContact CZ-CD1 4.37Å; V131-L183 HydrophobicContact CG1-CD2 4.23Å; V131-L183 HydrophobicContact CG2-CD2 3.95Å; I179-L183 HydrophobicContact CG2-CD1 3.89Å; I179-L183 HydrophobicContact CG2-CG 4.42Å; I179-L183 WeakPolarHBondContact O-CB 3.32Å; I179-L183 VanDerWaalsContact O-CG 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.17Å; I179-L183 PolarHBondContact O-N 2.85Å; H181-L183 PolarHBondContact O-N 2.7Å; L183-I186 PolarHBondContact O-N 3.12Å; L183-F187 WeakPolarHBondContact O-CD2 3.45Å; L183-F187 PolarHBondContact O-N 2.87Å |
| 184 | G | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | A180 H181 E182 F187 V189 | A180-G184 PolarHBondContact O-N 3.01Å; H181-G184 VanDerWaalsContact O-CA 3.3Å; H181-G184 WeakPolarHBondContact O-CA 3.49Å; H181-G184 PolarHBondContact O-N 2.7Å; E182-G184 PolarHBondContact O-N 2.87Å; G184-F187 CarbonylContact O-C 3.55Å; G184-F187 WeakPolarHBondContact O-CB 3.44Å; G184-F187 PolarHBondContact O-N 2.83Å; G184-V189 VanDerWaalsContact O-CB 3.25Å; G184-V189 WeakPolarHBondContact O-CB 3.38Å; G184-V189 PolarHBondContact O-N 3.49Å |
| 185 | H | 94.7 | Very high | 89.6 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 7% | 0.069 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 172.3 | -72.7 | -59.2 | 0 | 0 | 0 | 111.7 | A153 L155 G156 H181 E182 F187 N188 V189 H191 | A153-H185 HydrophobicContact CB-CB 4.42Å; L155-H185 CarbonylContact C-O 3.48Å; L155-H185 VanDerWaalsContact CA-O 3.28Å; L155-H185 WeakPolarHBondContact CA-O 3.42Å; L155-H185 HydrophobicContact CD1-CB 4.27Å; L155-H185 HydrophobicContact CG-CB 4.22Å; G156-H185 PolarHBondContact N-O 3.08Å; H181-H185 AromaticContact CD2-CD2 3.6Å; H181-H185 AromaticContact CD2-NE2 3.4Å; H181-H185 PolarHBondContact CD2-NE2 2.81Å; H181-H185 AromaticContact CE1-NE2 3.95Å; H181-H185 AromaticContact NE2-CD2 3.69Å; H181-H185 AromaticContact NE2-CE1 3.99Å; H181-H185 AromaticContact NE2-NE2 2.97Å; H181-H185 PolarHBondContact NE2-NE2 2.85Å; H181-H185 PolarHBondContact O-N 3.43Å; E182-H185 WeakPolarHBondContact O-CB 3.49Å; E182-H185 PolarHBondContact O-N 3.02Å; E182-H185 VanDerWaalsContact O-N 3.16Å; E182-H185 IonicContact OE2-CD2 2.99Å; H185-F187 PolarHBondContact O-N 2.89Å; H185-N188 WeakPolarHBondContact O-CA 3.45Å; H185-N188 PolarHBondContact O-N 2.04Å; H185-V189 PolarHBondContact ND1-O 2.74Å; H185-H191 AromaticContact CE1-CD2 3.4Å; H185-H191 PolarHBondContact CE1-CD2 2.75Å; H185-H191 AromaticContact CE1-NE2 3.3Å; H185-H191 PolarHBondContact CE1-NE2 2.9Å; H185-H191 VanDerWaalsContact CE1-NE2 3.3Å; H185-H191 AromaticContact NE2-CD2 3.61Å; H185-H191 AromaticContact NE2-NE2 3.22Å; H185-H191 PolarHBondContact NE2-NE2 2.9Å |
| 186 | I | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.9 | -32.9 | 176.5 | -66.3 | 177.9 | 0 | 0 | 0 | 111.5 | V131 A153 G156 T157 M158 A166 E182 L183 N188 | V131-I186 HydrophobicContact CG2-CD1 3.74Å; V131-I186 HydrophobicContact CG2-CG2 4.46Å; A153-I186 HydrophobicContact CB-CD1 4.1Å; A153-I186 HydrophobicContact CB-CG1 3.81Å; G156-I186 CarbonylContact C-O 3.41Å; G156-I186 VanDerWaalsContact CA-O 3.24Å; G156-I186 WeakPolarHBondContact CA-O 3.24Å; T157-I186 PolarHBondContact N-O 2.96Å; T157-I186 VanDerWaalsContact N-O 3.16Å; M158-I186 HydrophobicContact CB-CG2 3.89Å; M158-I186 HydrophobicContact CE-CG2 3.83Å; M158-I186 HydrophobicContact CG-CG2 4.48Å; M158-I186 PolarHBondContact N-O 3.5Å; M158-I186 HydrophobicContact SD-CG2 3.85Å; A166-I186 HydrophobicContact CB-CD1 4.1Å; E182-I186 WeakPolarHBondContact O-CG1 3.33Å; E182-I186 PolarHBondContact O-N 2.96Å; L183-I186 PolarHBondContact O-N 3.12Å; I186-N188 PolarHBondContact O-N 2.83Å |
| 187 | F | 92.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 11.6 | 168.9 | -79.8 | -63.2 | 0 | 0 | 0 | 115.4 | V39 F72 L81 M158 L183 G184 H185 V189 L232 F235 M254 | V39-F187 HydrophobicContact CG2-CZ 3.96Å; F72-F187 HydrophobicContact CD1-CE2 4.33Å; F72-F187 AromaticContact CE1-CD2 3.84Å; F72-F187 HydrophobicContact CE1-CD2 3.84Å; F72-F187 AromaticContact CE1-CE2 3.59Å; F72-F187 HydrophobicContact CE1-CE2 3.59Å; F72-F187 HydrophobicContact CZ-CD2 4.24Å; F72-F187 HydrophobicContact CZ-CE2 4.06Å; L81-F187 HydrophobicContact CD1-CE1 4.4Å; L81-F187 HydrophobicContact CD1-CE2 4.41Å; L81-F187 HydrophobicContact CD1-CZ 4.07Å; L81-F187 HydrophobicContact CD2-CE1 4.07Å; L81-F187 HydrophobicContact CD2-CZ 3.75Å; M158-F187 HydrophobicContact CE-CD1 4.24Å; M158-F187 HydrophobicContact CE-CD2 4.2Å; M158-F187 HydrophobicContact CE-CE1 3.78Å; M158-F187 HydrophobicContact CE-CE2 3.72Å; M158-F187 HydrophobicContact CE-CG 4.43Å; M158-F187 HydrophobicContact CE-CZ 3.48Å; M158-F187 VanDerWaalsContact CE-CZ 3.48Å; L183-F187 WeakPolarHBondContact O-CD2 3.45Å; L183-F187 PolarHBondContact O-N 2.87Å; G184-F187 CarbonylContact O-C 3.55Å; G184-F187 WeakPolarHBondContact O-CB 3.44Å; G184-F187 PolarHBondContact O-N 2.83Å; H185-F187 PolarHBondContact O-N 2.89Å; F187-V189 VanDerWaalsContact C-N 3.26Å; F187-V189 HydrophobicContact CB-CG2 4.19Å; F187-V189 PolarHBondContact O-N 2.78Å; F187-L232 HydrophobicContact CB-CD1 3.94Å; F187-L232 HydrophobicContact CD1-CD1 3.55Å; F187-L232 HydrophobicContact CE1-CD1 4.16Å; F187-L232 HydrophobicContact CG-CD1 3.8Å; F187-F235 AromaticContact CD1-CD1 3.97Å; F187-F235 HydrophobicContact CD1-CD1 3.97Å; F187-F235 HydrophobicContact CD1-CE1 4.11Å; F187-F235 WeakPolarHBondContact O-CB 3Å; F187-F235 WeakPolarHBondContact O-CG 3.45Å; F187-M254 HydrophobicContact CE1-CE 3.93Å; F187-M254 HydrophobicContact CE1-SD 3.6Å; F187-M254 HydrophobicContact CZ-SD 3.99Å |
| 188 | N | 90.5 | Very high | 88.1 | Confident | 78 Ų | 78 | 35.2 Ų | 35.2 | 42% | 0.417 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 28.8 | -176.5 | -157.2 | 9.1 | 0 | 0 | 0 | 114.2 | H185 I186 F235 | H185-N188 WeakPolarHBondContact O-CA 3.45Å; H185-N188 PolarHBondContact O-N 2.04Å; I186-N188 PolarHBondContact O-N 2.83Å; N188-F235 HydrophobicContact CB-CD2 3.55Å; N188-F235 HydrophobicContact CB-CE2 4.1Å; N188-F235 HydrophobicContact CB-CG 4.31Å |
| 189 | V | 90.1 | Very high | 87.3 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | trans | -91.9 | 118.2 | 173.8 | -171.1 | 0 | 0 | 0 | 0 | 109 | G184 H185 F187 M211 M231 L232 | G184-V189 VanDerWaalsContact O-CB 3.25Å; G184-V189 WeakPolarHBondContact O-CB 3.38Å; G184-V189 PolarHBondContact O-N 3.49Å; H185-V189 PolarHBondContact ND1-O 2.74Å; F187-V189 VanDerWaalsContact C-N 3.26Å; F187-V189 HydrophobicContact CB-CG2 4.19Å; F187-V189 PolarHBondContact O-N 2.78Å; V189-M211 HydrophobicContact CG1-CG 3.73Å; V189-M211 HydrophobicContact CG1-SD 4.46Å; V189-M211 WeakPolarHBondContact O-CE 3.19Å; V189-M231 HydrophobicContact CG1-CB 4.33Å; V189-M231 HydrophobicContact CG2-CB 4.3Å; V189-L232 HydrophobicContact CG2-CB 4.37Å | ||
| 190 | P | 90 | Very high | 86.4 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | trans | -79.8 | 174.8 | 173.9 | 35.7 | -35.3 | 0 | 0 | 0 | 111.6 | L155 E194 M231 | L155-P190 HydrophobicContact CD2-CB 4.47Å; P190-E194 HydrophobicContact CB-CB 4.24Å; P190-E194 HydrophobicContact CB-CG 4.05Å; P190-E194 WeakPolarHBondContact CB-OE1 3.38Å; P190-M231 HydrophobicContact CG-CG 4.41Å | ||
| 191 | H | 90.4 | Very high | 85.3 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | trans | -61.8 | 150.2 | 171.9 | -58 | 152.6 | 0 | 0 | 0 | 113.1 | H181 H185 D193 E194 C197 M211 | H181-H191 AromaticContact CE1-CD2 3.59Å; H181-H191 AromaticContact CE1-NE2 3.73Å; H181-H191 AromaticContact NE2-CD2 3.61Å; H181-H191 AromaticContact NE2-NE2 3.32Å; H181-H191 PolarHBondContact NE2-NE2 3.04Å; H185-H191 AromaticContact CE1-CD2 3.4Å; H185-H191 PolarHBondContact CE1-CD2 2.75Å; H185-H191 AromaticContact CE1-NE2 3.3Å; H185-H191 PolarHBondContact CE1-NE2 2.9Å; H185-H191 VanDerWaalsContact CE1-NE2 3.3Å; H185-H191 AromaticContact NE2-CD2 3.61Å; H185-H191 AromaticContact NE2-NE2 3.22Å; H185-H191 PolarHBondContact NE2-NE2 2.9Å; H191-D193 WeakPolarHBondContact CB-OD1 3.2Å; H191-D193 PolarHBondContact O-N 3.15Å; H191-E194 WeakPolarHBondContact O-CB 3.46Å; H191-E194 PolarHBondContact O-N 3.16Å; H191-C197 PolarHBondContact O-SG 2.99Å; H191-C197 VanDerWaalsContact O-SG 3.37Å; H191-M211 CarbonylContact C-O 3.51Å; H191-M211 VanDerWaalsContact CA-O 3.22Å; H191-M211 WeakPolarHBondContact CA-O 3.13Å | ||
| 192 | D | 83.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.6 | -178.8 | -78.7 | -27.8 | 0 | 0 | 0 | 114 | C197 M201 Y208 H209 M211 S225 | D192-C197 VanDerWaalsContact O-CB 3.22Å; D192-C197 WeakPolarHBondContact O-CB 3.28Å; D192-M201 HydrophobicContact CB-CE 4.25Å; D192-Y208 HydrophobicContact CB-CD1 4.29Å; D192-H209 WeakPolarHBondContact OD2-CB 3.5Å; D192-H209 PolarHBondContact OD2-N 2.94Å; D192-H209 VanDerWaalsContact OD2-N 3.11Å; D192-M211 PolarHBondContact N-O 2.8Å; D192-S225 WeakPolarHBondContact OD1-CB 3.03Å; D192-S225 PolarHBondContact OD1-OG 3.2Å |
| 193 | D | 80.1 | Confident | 81.7 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -9.5 | 177.9 | 74.7 | -47 | 0 | 0 | 0 | 113.8 | H191 Y208 | H191-D193 WeakPolarHBondContact CB-OD1 3.2Å; H191-D193 PolarHBondContact O-N 3.15Å; D193-Y208 HydrophobicContact CB-CE1 4.4Å |
| 194 | E | 82.3 | Confident | 79.8 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -59 | 146.9 | 179.6 | -101.6 | -149.8 | -146.5 | 0 | 0 | 111.9 | P190 H191 K196 C197 A198 | P190-E194 HydrophobicContact CB-CB 4.24Å; P190-E194 HydrophobicContact CB-CG 4.05Å; P190-E194 WeakPolarHBondContact CB-OE1 3.38Å; H191-E194 WeakPolarHBondContact O-CB 3.46Å; H191-E194 PolarHBondContact O-N 3.16Å; E194-K196 PolarHBondContact O-N 3.33Å; E194-K196 IonicContact OE1-NZ 2.99Å; E194-K196 PolarHBondContact OE1-NZ 3.01Å; E194-K196 WeakPolarHBondContact OE2-CD 3.46Å; E194-K196 VanDerWaalsContact OE2-CE 3.25Å; E194-K196 WeakPolarHBondContact OE2-CE 3.29Å; E194-K196 WeakPolarHBondContact OE2-CG 3.41Å; E194-K196 IonicContact OE2-NZ 3.24Å; E194-K196 PolarHBondContact OE2-NZ 2.84Å; E194-C197 WeakPolarHBondContact O-CA 3.48Å; E194-C197 WeakPolarHBondContact O-CB 3.46Å; E194-C197 PolarHBondContact O-N 3.12Å; E194-A198 PolarHBondContact O-N 3.22Å |
| 195 | K | 75.8 | Confident | 77.9 | Confident | 199 Ų | 199 | 65.6 Ų | 65.6 | 87% | 0.865 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24 | 176.5 | -172.2 | 176.9 | 176.3 | -174.9 | 0 | 113.6 | ||
| 196 | K | 74 | Confident | 76.1 | Confident | 114 Ų | 114 | 68.8 Ų | 68.8 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -37.2 | 172.2 | -56.6 | 179.2 | -163.1 | 118.4 | 0 | 112.3 | E194 | E194-K196 PolarHBondContact O-N 3.33Å; E194-K196 IonicContact OE1-NZ 2.99Å; E194-K196 PolarHBondContact OE1-NZ 3.01Å; E194-K196 WeakPolarHBondContact OE2-CD 3.46Å; E194-K196 VanDerWaalsContact OE2-CE 3.25Å; E194-K196 WeakPolarHBondContact OE2-CE 3.29Å; E194-K196 WeakPolarHBondContact OE2-CG 3.41Å; E194-K196 IonicContact OE2-NZ 3.24Å; E194-K196 PolarHBondContact OE2-NZ 2.84Å |
| 197 | C | 82.8 | Confident | 74.6 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -80.1 | -21.9 | -180 | -72 | 0 | 0 | 0 | 0 | 114 | H191 D192 E194 Q199 Y200 M201 C227 | H191-C197 PolarHBondContact O-SG 2.99Å; H191-C197 VanDerWaalsContact O-SG 3.37Å; D192-C197 VanDerWaalsContact O-CB 3.22Å; D192-C197 WeakPolarHBondContact O-CB 3.28Å; E194-C197 WeakPolarHBondContact O-CA 3.48Å; E194-C197 WeakPolarHBondContact O-CB 3.46Å; E194-C197 PolarHBondContact O-N 3.12Å; C197-Q199 PolarHBondContact O-N 3.1Å; C197-Y200 PolarHBondContact O-N 2.02Å; C197-M201 HydrophobicContact CB-CG 4.3Å; C197-M201 PolarHBondContact O-N 2.85Å; C197-M201 VanDerWaalsContact O-N 3.08Å; C197-C227 WeakPolarHBondContact CA-SG 3.49Å; C197-C227 HydrophobicContact CB-CB 3.58Å; C197-C227 WeakPolarHBondContact CB-SG 3.24Å; C197-C227 WeakPolarHBondContact SG-CB 3.36Å; C197-C227 CovalentContact SG-SG 2.03Å; C197-C227 PolarHBondContact SG-SG 2.74Å |
| 198 | A | 75.2 | Confident | 73.5 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -50.9 | -26.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | E194 T202 | E194-A198 PolarHBondContact O-N 3.22Å; A198-T202 WeakPolarHBondContact O-CG2 3.48Å |
| 199 | Q | 72.2 | Confident | 73.2 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -77 | -31.2 | 175.1 | 68.3 | -178.9 | -3.7 | 0 | 0 | 113.8 | C197 T202 | C197-Q199 PolarHBondContact O-N 3.1Å; Q199-T202 WeakPolarHBondContact O-CG2 3.37Å; Q199-T202 PolarHBondContact O-OG1 2.83Å |
| 200 | Y | 75 | Confident | 73.1 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 35% | 0.349 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -28.3 | 178.5 | -56.3 | -72.5 | 0 | 0 | 0 | 111.9 | C197 C227 A230 M231 | C197-Y200 PolarHBondContact O-N 2.02Å; Y200-C227 HydrophobicContact CD2-CB 4.19Å; Y200-C227 HydrophobicContact CG-CB 4.46Å; Y200-A230 HydrophobicContact CD1-CB 4.08Å; Y200-A230 HydrophobicContact CD2-CB 4.41Å; Y200-A230 HydrophobicContact CE1-CB 3.67Å; Y200-A230 HydrophobicContact CE2-CB 4.03Å; Y200-A230 HydrophobicContact CG-CB 4.43Å; Y200-M231 HydrophobicContact CD2-CE 4.44Å; Y200-M231 HydrophobicContact CE2-CE 3.57Å |
| 201 | M | 71.7 | Confident | 73.1 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 5% | 0.054 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -92.3 | 14.4 | -179.3 | -55.8 | -54.7 | -77.4 | 0 | 0 | 113.9 | D192 C197 L203 N204 K205 N207 | D192-M201 HydrophobicContact CB-CE 4.25Å; C197-M201 HydrophobicContact CB-CG 4.3Å; C197-M201 PolarHBondContact O-N 2.85Å; C197-M201 VanDerWaalsContact O-N 3.08Å; M201-L203 VanDerWaalsContact C-N 3.35Å; M201-L203 PolarHBondContact O-N 3.48Å; M201-N204 HydrophobicContact CE-CB 4.24Å; M201-N204 CarbonylContact O-C 3.59Å; M201-N204 PolarHBondContact O-N 2.7Å; M201-K205 WeakPolarHBondContact O-CG 3.43Å; M201-K205 PolarHBondContact O-N 2.04Å; M201-K205 VanDerWaalsContact O-N 3.12Å; M201-N207 VanDerWaalsContact CE-O 3.23Å; M201-N207 WeakPolarHBondContact CE-O 3.21Å |
| 202 | T | 57.5 | Low | 72.8 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -58.5 | -39 | -174 | 43.4 | 0 | 0 | 0 | 0 | 114.5 | A198 Q199 | A198-T202 WeakPolarHBondContact O-CG2 3.48Å; Q199-T202 WeakPolarHBondContact O-CG2 3.37Å; Q199-T202 PolarHBondContact O-OG1 2.83Å |
| 203 | L | 54.6 | Low | 72.6 | Confident | 164 Ų | 164 | 69.7 Ų | 69.7 | 86% | 0.859 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -85.7 | -16.5 | 175 | -77.8 | 145.2 | 0 | 0 | 0 | 113.3 | M201 | M201-L203 VanDerWaalsContact C-N 3.35Å; M201-L203 PolarHBondContact O-N 3.48Å |
| 204 | N | 55.9 | Low | 72.3 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | trans | -126.8 | 27.9 | -160.4 | -84.4 | 26.6 | 0 | 0 | 0 | 113 | M201 D206 N207 | M201-N204 HydrophobicContact CE-CB 4.24Å; M201-N204 CarbonylContact O-C 3.59Å; M201-N204 PolarHBondContact O-N 2.7Å; N204-D206 PolarHBondContact O-N 3.25Å; N204-D206 VanDerWaalsContact O-N 3.14Å; N204-N207 HydrophobicContact CB-CB 4.08Å; N204-N207 WeakPolarHBondContact O-CB 3.14Å; N204-N207 PolarHBondContact O-N 2.74Å | ||
| 205 | K | 54.8 | Low | 71.6 | Confident | 152 Ų | 152 | 68.8 Ų | 68.8 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -37.2 | -174 | -73.3 | -171.2 | 174.3 | -175.3 | 0 | 114.9 | M201 | M201-K205 WeakPolarHBondContact O-CG 3.43Å; M201-K205 PolarHBondContact O-N 2.04Å; M201-K205 VanDerWaalsContact O-N 3.12Å |
| 206 | D | 56.3 | Low | 71.2 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.6 | -179.8 | -66.3 | 30 | 0 | 0 | 0 | 112.3 | N204 N218 R981 | N204-D206 PolarHBondContact O-N 3.25Å; N204-D206 VanDerWaalsContact O-N 3.14Å; D206-N218 PolarHBondContact O-ND2 3.41Å; D206-R981 IonicContact OD2-NH2 2.96Å; D206-R981 PolarHBondContact OD2-NH2 3.49Å |
| 207 | N | 61.3 | Low | 70.5 | Confident | 14 Ų | 14 | 61 Ų | 61 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | trans | -113.6 | 90.5 | -179.3 | -80.5 | -7.5 | 0 | 0 | 0 | 110.6 | M201 N204 H209 H985 | M201-N207 VanDerWaalsContact CE-O 3.23Å; M201-N207 WeakPolarHBondContact CE-O 3.21Å; N204-N207 HydrophobicContact CB-CB 4.08Å; N204-N207 WeakPolarHBondContact O-CB 3.14Å; N204-N207 PolarHBondContact O-N 2.74Å; N207-H209 PolarHBondContact O-CD2 3.13Å; N207-H985 VanDerWaalsContact CG-CE1 3.49Å; N207-H985 PolarHBondContact ND2-CE1 2.95Å; N207-H985 PolarHBondContact ND2-NE2 3.03Å; N207-H985 PolarHBondContact OD1-CE1 2.92Å; N207-H985 PolarHBondContact OD1-ND1 2.88Å | ||
| 208 | Y | 69.7 | Low | 69.3 | Low | 52 Ų | 52 | 61.6 Ų | 61.6 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | trans | -85.9 | 139 | 179.1 | -68.4 | -66.4 | 0 | 0 | 0 | 112.2 | D192 D193 A212 T219 H220 | D192-Y208 HydrophobicContact CB-CD1 4.29Å; D193-Y208 HydrophobicContact CB-CE1 4.4Å; Y208-A212 HydrophobicContact CD1-CB 4.4Å; Y208-A212 HydrophobicContact CG-CB 4.31Å; Y208-T219 WeakPolarHBondContact O-CA 3.39Å; Y208-H220 PolarHBondContact O-N 2.86Å | ||
| 209 | H | 85.1 | Confident | 68.9 | Low | 25 Ų | 25 | 59.4 Ų | 59.4 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | trans | -111.8 | -156.6 | -178.1 | -72.2 | -85.3 | 0 | 0 | 0 | 110.6 | D192 N207 M211 A212 S223 S225 | D192-H209 WeakPolarHBondContact OD2-CB 3.5Å; D192-H209 PolarHBondContact OD2-N 2.94Å; D192-H209 VanDerWaalsContact OD2-N 3.11Å; N207-H209 PolarHBondContact O-CD2 3.13Å; H209-M211 PolarHBondContact O-N 3.46Å; H209-A212 WeakPolarHBondContact O-CB 3.28Å; H209-A212 PolarHBondContact O-N 2.97Å; H209-A212 VanDerWaalsContact O-N 3.12Å; H209-S223 VanDerWaalsContact CB-O 3.29Å; H209-S223 WeakPolarHBondContact CB-O 2.97Å; H209-S223 PolarHBondContact ND1-OG 2.84Å; H209-S225 WeakPolarHBondContact CD2-CB 3.27Å | ||
| 210 | I | 87.2 | Confident | 68.7 | Low | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -35.1 | 177.2 | -70.3 | 151.4 | 0 | 0 | 0 | 112.6 | V71 A180 H181 A212 P221 S223 W224 | V71-I210 HydrophobicContact CG1-CD1 3.38Å; V71-I210 HydrophobicContact CG1-CG1 4.32Å; A180-I210 HydrophobicContact CB-CG2 4.36Å; H181-I210 PolarHBondContact ND1-O 2.9Å; I210-A212 PolarHBondContact O-N 3.45Å; I210-P221 WeakPolarHBondContact CG1-O 3.45Å; I210-S223 VanDerWaalsContact CD1-O 3.28Å; I210-S223 WeakPolarHBondContact CD1-O 3.43Å; I210-S223 VanDerWaalsContact CG1-O 3.3Å; I210-S223 WeakPolarHBondContact CG1-O 3.46Å; I210-S223 PolarHBondContact N-O 3Å; I210-S223 VanDerWaalsContact N-O 3.09Å; I210-W224 HydrophobicContact CB-CD2 4.42Å; I210-W224 HydrophobicContact CB-CE3 4.08Å; I210-W224 HydrophobicContact CB-CZ3 4.18Å; I210-W224 HydrophobicContact CD1-CD2 3.51Å; I210-W224 VanDerWaalsContact CD1-CE2 3.41Å; I210-W224 HydrophobicContact CD1-CE3 4.04Å; I210-W224 HydrophobicContact CD1-CG 3.8Å; I210-W224 HydrophobicContact CD1-CH2 4.4Å; I210-W224 HydrophobicContact CD1-CZ2 3.91Å; I210-W224 HydrophobicContact CD1-CZ3 4.45Å; I210-W224 HydrophobicContact CG2-CE3 4.2Å; I210-W224 HydrophobicContact CG2-CH2 3.92Å; I210-W224 HydrophobicContact CG2-CZ2 4.45Å; I210-W224 HydrophobicContact CG2-CZ3 3.77Å |
| 211 | M | 90 | Very high | 68.5 | Low | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 29.4 | 179.6 | -54.7 | -52.1 | -56.7 | 0 | 0 | 113.1 | V189 H191 D192 H209 W224 | V189-M211 HydrophobicContact CG1-CG 3.73Å; V189-M211 HydrophobicContact CG1-SD 4.46Å; V189-M211 WeakPolarHBondContact O-CE 3.19Å; H191-M211 CarbonylContact C-O 3.51Å; H191-M211 VanDerWaalsContact CA-O 3.22Å; H191-M211 WeakPolarHBondContact CA-O 3.13Å; D192-M211 PolarHBondContact N-O 2.8Å; H209-M211 PolarHBondContact O-N 3.46Å; M211-W224 HydrophobicContact CG-CE3 4.39Å; M211-W224 HydrophobicContact CG-CZ3 4.2Å; M211-W224 HydrophobicContact SD-CZ3 3.9Å |
| 212 | A | 84 | Confident | 68.7 | Low | 10 Ų | 10 | 53.4 Ų | 53.4 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | trans | -67.5 | 138 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | H181 Y208 H209 I210 T214 T219 | H181-A212 PolarHBondContact CE1-O 2.88Å; Y208-A212 HydrophobicContact CD1-CB 4.4Å; Y208-A212 HydrophobicContact CG-CB 4.31Å; H209-A212 WeakPolarHBondContact O-CB 3.28Å; H209-A212 PolarHBondContact O-N 2.97Å; H209-A212 VanDerWaalsContact O-N 3.12Å; I210-A212 PolarHBondContact O-N 3.45Å; A212-T214 VanDerWaalsContact CB-O 3.32Å; A212-T214 WeakPolarHBondContact CB-O 3.24Å; A212-T214 PolarHBondContact O-N 3.16Å; A212-T219 HydrophobicContact CB-CG2 3.78Å | ||
| 213 | P | 79.4 | Confident | 69.9 | Low | 54 Ų | 54 | 49.9 Ų | 49.9 | 35% | 0.351 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -71.3 | -19.3 | 171.5 | 30.9 | -35.7 | 0 | 0 | 0 | 112.8 | ||
| 214 | T | 73.3 | Confident | 71.6 | Confident | 74 Ų | 74 | 42.5 Ų | 42.5 | 45% | 0.454 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -144.6 | 148.3 | -178.2 | 40.1 | 0 | 0 | 0 | 0 | 111 | A212 E216 T219 | A212-T214 VanDerWaalsContact CB-O 3.32Å; A212-T214 WeakPolarHBondContact CB-O 3.24Å; A212-T214 PolarHBondContact O-N 3.16Å; T214-E216 PolarHBondContact OG1-OE1 2.8Å; T214-T219 WeakPolarHBondContact O-CG2 3.36Å |
| 215 | L | 67.2 | Low | 73.2 | Confident | 61 Ų | 61 | 40 Ų | 40 | 32% | 0.319 | 20% | 0.2 | S | C | . | . | trans | -92 | 123.9 | 176.2 | -71 | 161.2 | 0 | 0 | 0 | 110.8 | H321 M322 | L215-H321 PolarHBondContact O-CD2 3.15Å; L215-M322 HydrophobicContact CD1-CE 3.33Å; L215-M322 HydrophobicContact CD1-CG 4.33Å; L215-M322 HydrophobicContact CD1-SD 4.05Å; L215-M322 HydrophobicContact CD2-CE 4.17Å; L215-M322 HydrophobicContact CD2-SD 4.23Å; L215-M322 HydrophobicContact CG-CE 4.41Å | ||
| 216 | E | 67.5 | Low | 74.5 | Confident | 70 Ų | 70 | 35.7 Ų | 35.7 | 33% | 0.327 | 19% | 0.187 | S | C | . | . | trans | -136.2 | -177.2 | -166.4 | -78.4 | -171.1 | -148.2 | 0 | 0 | 112.8 | T214 N218 T219 R302 | T214-E216 PolarHBondContact OG1-OE1 2.8Å; E216-N218 WeakPolarHBondContact CB-OD1 3.01Å; E216-N218 PolarHBondContact O-N 3.06Å; E216-T219 HydrophobicContact CB-CG2 4.44Å; E216-T219 PolarHBondContact N-OG1 3.46Å; E216-T219 VanDerWaalsContact N-OG1 3.12Å; E216-T219 PolarHBondContact O-OG1 3.3Å; E216-R302 PolarHBondContact O-NH2 3.29Å | ||
| 217 | F | 60.8 | Low | 76 | Confident | 80 Ų | 80 | 31.8 Ų | 31.8 | 35% | 0.351 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.1 | -179 | 82.9 | -78.1 | 0 | 0 | 0 | 113.8 | R302 | F217-R302 VanDerWaalsContact CA-NH2 3.34Å; F217-R302 PolarHBondContact O-NH1 3.14Å; F217-R302 VanDerWaalsContact O-NH1 3.15Å; F217-R302 PolarHBondContact O-NH2 3.41Å |
| 218 | N | 57.8 | Low | 77.4 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -3.1 | -173.8 | 57.6 | -9.3 | 0 | 0 | 0 | 114.4 | D206 E216 H220 | D206-N218 PolarHBondContact O-ND2 3.41Å; E216-N218 WeakPolarHBondContact CB-OD1 3.01Å; E216-N218 PolarHBondContact O-N 3.06Å; N218-H220 PolarHBondContact O-CE1 3.35Å; N218-H220 VanDerWaalsContact O-CE1 3.24Å; N218-H220 PolarHBondContact O-ND1 3.2Å |
| 219 | T | 65.5 | Low | 78.2 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | trans | -71.1 | 137 | 178 | 41.4 | 0 | 0 | 0 | 0 | 112.4 | Y208 A212 T214 E216 P221 | Y208-T219 WeakPolarHBondContact O-CA 3.39Å; A212-T219 HydrophobicContact CB-CG2 3.78Å; T214-T219 WeakPolarHBondContact O-CG2 3.36Å; E216-T219 HydrophobicContact CB-CG2 4.44Å; E216-T219 PolarHBondContact N-OG1 3.46Å; E216-T219 VanDerWaalsContact N-OG1 3.12Å; E216-T219 PolarHBondContact O-OG1 3.3Å; T219-P221 VanDerWaalsContact O-CD 3.26Å; T219-P221 WeakPolarHBondContact O-CD 3.3Å | ||
| 220 | H | 68.6 | Low | 78.1 | Confident | 42 Ų | 42 | 28.7 Ų | 28.7 | 19% | 0.194 | 16% | 0.156 | C | C | . | . | trans | -114.1 | 76.5 | -179.7 | -66.2 | 79.2 | 0 | 0 | 0 | 111.6 | Y208 N218 W222 S223 W954 | Y208-H220 PolarHBondContact O-N 2.86Å; N218-H220 PolarHBondContact O-CE1 3.35Å; N218-H220 VanDerWaalsContact O-CE1 3.24Å; N218-H220 PolarHBondContact O-ND1 3.2Å; H220-W222 VanDerWaalsContact C-N 3.28Å; H220-W222 PolarHBondContact O-N 3.31Å; H220-W222 VanDerWaalsContact O-N 3.09Å; H220-S223 WeakPolarHBondContact CB-OG 3.25Å; H220-S223 PolarHBondContact O-N 2.86Å; H220-S223 VanDerWaalsContact O-N 3.08Å; H220-S223 PolarHBondContact O-OG 2.63Å; H220-W954 AromaticContact CD2-CH2 3.97Å; H220-W954 AromaticContact NE2-CH2 3.93Å; H220-W954 AromaticContact NE2-CZ3 3.92Å | ||
| 221 | P | 70.5 | Confident | 78.1 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -7.1 | -160.6 | 30.4 | -38.8 | 0 | 0 | 0 | 116.1 | F177 I210 T219 S223 P323 | F177-P221 HydrophobicContact CD1-CB 3.73Å; F177-P221 VanDerWaalsContact CD1-O 3.23Å; F177-P221 WeakPolarHBondContact CD1-O 3.35Å; F177-P221 HydrophobicContact CE1-CB 3.88Å; F177-P221 HydrophobicContact CE1-CG 4.3Å; F177-P221 WeakPolarHBondContact CE1-O 3.46Å; F177-P221 HydrophobicContact CG-CB 4.08Å; F177-P221 HydrophobicContact CZ-CB 4.35Å; F177-P221 HydrophobicContact CZ-CG 4.36Å; I210-P221 WeakPolarHBondContact CG1-O 3.45Å; T219-P221 VanDerWaalsContact O-CD 3.26Å; T219-P221 WeakPolarHBondContact O-CD 3.3Å; P221-S223 VanDerWaalsContact C-N 3.33Å; P221-P323 HydrophobicContact CG-CG 4.45Å |
| 222 | W | 75.7 | Confident | 77.9 | Confident | 51 Ų | 51 | 29.7 Ų | 29.7 | 19% | 0.193 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.7 | 171.4 | -51.8 | -93.7 | 0 | 0 | 0 | 113.8 | H74 F177 H220 P323 R338 G339 | H74-W222 PolarHBondContact CD2-O 3.12Å; F177-W222 HydrophobicContact CE1-CG 4.42Å; F177-W222 AromaticContact CZ-NE1 3.95Å; H220-W222 VanDerWaalsContact C-N 3.28Å; H220-W222 PolarHBondContact O-N 3.31Å; H220-W222 VanDerWaalsContact O-N 3.09Å; W222-P323 HydrophobicContact CH2-CB 3.4Å; W222-P323 VanDerWaalsContact CH2-CB 3.4Å; W222-P323 HydrophobicContact CH2-CG 3.47Å; W222-P323 VanDerWaalsContact CH2-CG 3.47Å; W222-P323 HydrophobicContact CZ2-CB 3.52Å; W222-P323 HydrophobicContact CZ2-CG 3.29Å; W222-P323 HydrophobicContact CZ3-CG 4.42Å; W222-R338 HydrophobicContact CD2-CB 4.39Å; W222-R338 WeakPolarHBondContact CH2-O 3.43Å; W222-R338 WeakPolarHBondContact CZ3-O 3.41Å; W222-G339 VanDerWaalsContact CH2-N 3.32Å |
| 223 | S | 83.9 | Confident | 77.6 | Confident | 19 Ų | 19 | 29.6 Ų | 29.6 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -134.2 | 149.5 | -168.5 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | H209 I210 H220 P221 | H209-S223 VanDerWaalsContact CB-O 3.29Å; H209-S223 WeakPolarHBondContact CB-O 2.97Å; H209-S223 PolarHBondContact ND1-OG 2.84Å; I210-S223 VanDerWaalsContact CD1-O 3.28Å; I210-S223 WeakPolarHBondContact CD1-O 3.43Å; I210-S223 VanDerWaalsContact CG1-O 3.3Å; I210-S223 WeakPolarHBondContact CG1-O 3.46Å; I210-S223 PolarHBondContact N-O 3Å; I210-S223 VanDerWaalsContact N-O 3.09Å; H220-S223 WeakPolarHBondContact CB-OG 3.25Å; H220-S223 PolarHBondContact O-N 2.86Å; H220-S223 VanDerWaalsContact O-N 3.08Å; H220-S223 PolarHBondContact O-OG 2.63Å; P221-S223 VanDerWaalsContact C-N 3.33Å |
| 224 | W | 89.6 | Confident | 77.4 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | trans | -101.4 | 147.6 | -178.9 | -60 | 91.9 | 0 | 0 | 0 | 110.8 | V71 F72 S76 L77 I210 M211 | V71-W224 HydrophobicContact CG1-CZ2 4Å; V71-W224 PolarHBondContact O-NE1 3.22Å; F72-W224 HydrophobicContact CD1-CH2 4.41Å; F72-W224 AromaticContact CD1-CZ2 3.8Å; F72-W224 HydrophobicContact CD1-CZ2 3.8Å; F72-W224 HydrophobicContact CD2-CZ2 4.41Å; F72-W224 AromaticContact CE1-CH2 3.67Å; F72-W224 HydrophobicContact CE1-CH2 3.67Å; F72-W224 AromaticContact CE1-CZ2 3.52Å; F72-W224 HydrophobicContact CE1-CZ2 3.52Å; F72-W224 HydrophobicContact CE2-CH2 4.39Å; F72-W224 HydrophobicContact CE2-CZ2 4.17Å; F72-W224 HydrophobicContact CG-CZ2 4.24Å; F72-W224 AromaticContact CZ-CH2 3.65Å; F72-W224 HydrophobicContact CZ-CH2 3.65Å; F72-W224 AromaticContact CZ-CZ2 3.71Å; F72-W224 HydrophobicContact CZ-CZ2 3.71Å; S76-W224 WeakPolarHBondContact OG-CB 3.2Å; S76-W224 PolarHBondContact OG-N 3.35Å; L77-W224 HydrophobicContact CB-CG 4.12Å; L77-W224 HydrophobicContact CD1-CB 4.08Å; L77-W224 HydrophobicContact CD1-CD2 3.75Å; L77-W224 HydrophobicContact CD1-CE3 4.23Å; L77-W224 HydrophobicContact CD1-CG 3.7Å; L77-W224 HydrophobicContact CD2-CZ2 4.43Å; L77-W224 HydrophobicContact CG-CG 4.36Å; I210-W224 HydrophobicContact CB-CD2 4.42Å; I210-W224 HydrophobicContact CB-CE3 4.08Å; I210-W224 HydrophobicContact CB-CZ3 4.18Å; I210-W224 HydrophobicContact CD1-CD2 3.51Å; I210-W224 VanDerWaalsContact CD1-CE2 3.41Å; I210-W224 HydrophobicContact CD1-CE3 4.04Å; I210-W224 HydrophobicContact CD1-CG 3.8Å; I210-W224 HydrophobicContact CD1-CH2 4.4Å; I210-W224 HydrophobicContact CD1-CZ2 3.91Å; I210-W224 HydrophobicContact CD1-CZ3 4.45Å; I210-W224 HydrophobicContact CG2-CE3 4.2Å; I210-W224 HydrophobicContact CG2-CH2 3.92Å; I210-W224 HydrophobicContact CG2-CZ2 4.45Å; I210-W224 HydrophobicContact CG2-CZ3 3.77Å; M211-W224 HydrophobicContact CG-CE3 4.39Å; M211-W224 HydrophobicContact CG-CZ3 4.2Å; M211-W224 HydrophobicContact SD-CZ3 3.9Å | ||
| 225 | S | 88.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | trans | -81.6 | 163.9 | -177.3 | 84.6 | 0 | 0 | 0 | 0 | 112.4 | D192 H209 C227 S228 T229 | D192-S225 WeakPolarHBondContact OD1-CB 3.03Å; D192-S225 PolarHBondContact OD1-OG 3.2Å; H209-S225 WeakPolarHBondContact CD2-CB 3.27Å; S225-C227 PolarHBondContact O-N 3.33Å; S225-C227 WeakPolarHBondContact OG-CA 3.29Å; S225-C227 WeakPolarHBondContact OG-CB 3.36Å; S225-C227 PolarHBondContact OG-N 2.87Å; S225-S228 PolarHBondContact N-OG 3.37Å; S225-S228 PolarHBondContact O-N 2.55Å; S225-S228 PolarHBondContact OG-N 2.9Å; S225-S228 PolarHBondContact OG-OG 2.87Å; S225-S228 VanDerWaalsContact OG-OG 3.13Å; S225-T229 PolarHBondContact O-N 3.24Å; S225-T229 PolarHBondContact O-OG1 2.84Å | ||
| 226 | P | 83 | Confident | 78.2 | Confident | 62 Ų | 62 | 25.1 Ų | 25.1 | 40% | 0.403 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -56.5 | -25.8 | 167.1 | -25 | 35.7 | 0 | 0 | 0 | 113.5 | A230 | P226-A230 WeakPolarHBondContact O-CB 3.37Å; P226-A230 PolarHBondContact O-N 3.39Å |
| 227 | C | 87.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.6 | -47.6 | 170.7 | -169 | 0 | 0 | 0 | 0 | 111.5 | C197 Y200 S225 T229 A230 M231 | C197-C227 WeakPolarHBondContact CA-SG 3.49Å; C197-C227 HydrophobicContact CB-CB 3.58Å; C197-C227 WeakPolarHBondContact CB-SG 3.24Å; C197-C227 WeakPolarHBondContact SG-CB 3.36Å; C197-C227 CovalentContact SG-SG 2.03Å; C197-C227 PolarHBondContact SG-SG 2.74Å; Y200-C227 HydrophobicContact CD2-CB 4.19Å; Y200-C227 HydrophobicContact CG-CB 4.46Å; S225-C227 PolarHBondContact O-N 3.33Å; S225-C227 WeakPolarHBondContact OG-CA 3.29Å; S225-C227 WeakPolarHBondContact OG-CB 3.36Å; S225-C227 PolarHBondContact OG-N 2.87Å; C227-T229 VanDerWaalsContact C-N 3.3Å; C227-T229 PolarHBondContact O-N 3.24Å; C227-A230 PolarHBondContact O-N 3.39Å; C227-M231 WeakPolarHBondContact O-CG 3.47Å; C227-M231 PolarHBondContact O-N 3.38Å |
| 228 | S | 90.7 | Very high | 77.4 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.5 | -48.2 | 179.7 | -43.2 | 0 | 0 | 0 | 0 | 111.4 | S225 A230 M231 L232 | S225-S228 PolarHBondContact N-OG 3.37Å; S225-S228 PolarHBondContact O-N 2.55Å; S225-S228 PolarHBondContact OG-N 2.9Å; S225-S228 PolarHBondContact OG-OG 2.87Å; S225-S228 VanDerWaalsContact OG-OG 3.13Å; S228-A230 VanDerWaalsContact C-N 3.33Å; S228-A230 PolarHBondContact O-N 2.86Å; S228-M231 PolarHBondContact O-N 3.23Å; S228-L232 WeakPolarHBondContact O-CB 3.35Å; S228-L232 PolarHBondContact O-N 2.82Å |
| 229 | T | 86.2 | Confident | 76.7 | Confident | 13 Ų | 13 | 25 Ų | 25 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.6 | -37.2 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | S76 E78 S225 C227 S233 | S76-T229 PolarHBondContact O-OG1 3.03Å; E78-T229 HydrophobicContact CB-CG2 3.78Å; E78-T229 HydrophobicContact CG-CG2 3.78Å; S225-T229 PolarHBondContact O-N 3.24Å; S225-T229 PolarHBondContact O-OG1 2.84Å; C227-T229 VanDerWaalsContact C-N 3.3Å; C227-T229 PolarHBondContact O-N 3.24Å; T229-S233 WeakPolarHBondContact O-CB 3.23Å; T229-S233 PolarHBondContact O-N 2.93Å; T229-S233 VanDerWaalsContact O-N 3.07Å; T229-S233 PolarHBondContact O-OG 2.84Å |
| 230 | A | 81.9 | Confident | 75.2 | Confident | 12 Ų | 12 | 29.5 Ų | 29.5 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.4 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y200 P226 C227 S228 K234 | Y200-A230 HydrophobicContact CD1-CB 4.08Å; Y200-A230 HydrophobicContact CD2-CB 4.41Å; Y200-A230 HydrophobicContact CE1-CB 3.67Å; Y200-A230 HydrophobicContact CE2-CB 4.03Å; Y200-A230 HydrophobicContact CG-CB 4.43Å; P226-A230 WeakPolarHBondContact O-CB 3.37Å; P226-A230 PolarHBondContact O-N 3.39Å; C227-A230 PolarHBondContact O-N 3.39Å; S228-A230 VanDerWaalsContact C-N 3.33Å; S228-A230 PolarHBondContact O-N 2.86Å; A230-K234 PolarHBondContact O-N 3.1Å |
| 231 | M | 87 | Confident | 73.5 | Confident | 30 Ų | 30 | 31.2 Ų | 31.2 | 15% | 0.148 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -75.9 | -44.1 | 180 | -64.1 | -60.1 | 112.2 | 0 | 0 | 111.8 | V189 P190 Y200 C227 S228 S233 K234 F235 | V189-M231 HydrophobicContact CG1-CB 4.33Å; V189-M231 HydrophobicContact CG2-CB 4.3Å; P190-M231 HydrophobicContact CG-CG 4.41Å; Y200-M231 HydrophobicContact CD2-CE 4.44Å; Y200-M231 HydrophobicContact CE2-CE 3.57Å; C227-M231 WeakPolarHBondContact O-CG 3.47Å; C227-M231 PolarHBondContact O-N 3.38Å; S228-M231 PolarHBondContact O-N 3.23Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 3.13Å; M231-K234 WeakPolarHBondContact O-CA 3.04Å; M231-K234 WeakPolarHBondContact O-CB 3.3Å; M231-K234 PolarHBondContact O-N 3.31Å; M231-F235 PolarHBondContact O-N 3.22Å |
| 232 | L | 87.4 | Confident | 71.7 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 171.9 | 179.6 | 71.3 | 0 | 0 | 0 | 111.3 | L77 A79 L81 F187 V189 S228 K234 F235 L236 | L77-L232 HydrophobicContact CD1-CD2 3.47Å; L77-L232 VanDerWaalsContact CD1-CD2 3.47Å; L77-L232 HydrophobicContact CD2-CD2 3.93Å; L77-L232 HydrophobicContact CG-CD2 3.56Å; A79-L232 HydrophobicContact CB-CD2 3.93Å; L81-L232 HydrophobicContact CD1-CD1 4.15Å; L81-L232 HydrophobicContact CD1-CD2 3.55Å; L81-L232 HydrophobicContact CD1-CG 4.46Å; F187-L232 HydrophobicContact CB-CD1 3.94Å; F187-L232 HydrophobicContact CD1-CD1 3.55Å; F187-L232 HydrophobicContact CE1-CD1 4.16Å; F187-L232 HydrophobicContact CG-CD1 3.8Å; V189-L232 HydrophobicContact CG2-CB 4.37Å; S228-L232 WeakPolarHBondContact O-CB 3.35Å; S228-L232 PolarHBondContact O-N 2.82Å; L232-K234 PolarHBondContact O-N 2.98Å; L232-K234 VanDerWaalsContact O-N 3.15Å; L232-F235 PolarHBondContact O-N 2.82Å; L232-F235 VanDerWaalsContact O-N 3.09Å; L232-L236 HydrophobicContact CD1-CD1 3.91Å; L232-L236 HydrophobicContact CD1-CD2 4.34Å; L232-L236 HydrophobicContact CD1-CG 3.85Å; L232-L236 HydrophobicContact CD2-CD1 4.11Å; L232-L236 HydrophobicContact CG-CD1 3.78Å; L232-L236 HydrophobicContact CG-CG 4.08Å; L232-L236 PolarHBondContact O-N 3.02Å |
| 233 | S | 77.9 | Confident | 69.5 | Low | 8 Ų | 8 | 34.6 Ų | 34.6 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.3 | -26.4 | 173.1 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | T229 M231 F238 K239 | T229-S233 WeakPolarHBondContact O-CB 3.23Å; T229-S233 PolarHBondContact O-N 2.93Å; T229-S233 VanDerWaalsContact O-N 3.07Å; T229-S233 PolarHBondContact O-OG 2.84Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 3.13Å; S233-F238 CarbonylContact O-C 3.46Å; S233-F238 WeakPolarHBondContact O-CA 3.46Å; S233-F238 WeakPolarHBondContact O-CB 3.41Å; S233-F238 PolarHBondContact O-N 3.32Å; S233-K239 PolarHBondContact O-N 2.82Å |
| 234 | K | 74.2 | Confident | 67 | Low | 74 Ų | 74 | 38.6 Ų | 38.6 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -78.2 | -45.2 | 174 | -156.7 | -162.5 | -174.1 | -145.8 | 0 | 111.2 | A230 M231 L232 G237 K239 F240 E241 | A230-K234 PolarHBondContact O-N 3.1Å; M231-K234 WeakPolarHBondContact O-CA 3.04Å; M231-K234 WeakPolarHBondContact O-CB 3.3Å; M231-K234 PolarHBondContact O-N 3.31Å; L232-K234 PolarHBondContact O-N 2.98Å; L232-K234 VanDerWaalsContact O-N 3.15Å; K234-G237 PolarHBondContact O-N 2.8Å; K234-K239 WeakPolarHBondContact CA-O 3.36Å; K234-F240 HydrophobicContact CG-CB 3.92Å; K234-E241 VanDerWaalsContact CE-OE1 3.27Å; K234-E241 WeakPolarHBondContact CE-OE1 3.32Å; K234-E241 VanDerWaalsContact CE-OE2 3.22Å; K234-E241 WeakPolarHBondContact CE-OE2 3.39Å; K234-E241 IonicContact NZ-OE1 2.64Å; K234-E241 PolarHBondContact NZ-OE1 2.85Å; K234-E241 IonicContact NZ-OE2 2.69Å; K234-E241 PolarHBondContact NZ-OE2 3.04Å |
| 235 | F | 80.5 | Confident | 64.3 | Low | 13 Ų | 13 | 40.8 Ų | 40.8 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 179.7 | -171.1 | -98.1 | 0 | 0 | 0 | 112.6 | M158 F187 N188 M231 L232 G237 M250 A251 M254 | M158-F235 HydrophobicContact CB-CE1 3.86Å; M158-F235 HydrophobicContact CB-CZ 3.77Å; F187-F235 AromaticContact CD1-CD1 3.97Å; F187-F235 HydrophobicContact CD1-CD1 3.97Å; F187-F235 HydrophobicContact CD1-CE1 4.11Å; F187-F235 WeakPolarHBondContact O-CB 3Å; F187-F235 WeakPolarHBondContact O-CG 3.45Å; N188-F235 HydrophobicContact CB-CD2 3.55Å; N188-F235 HydrophobicContact CB-CE2 4.1Å; N188-F235 HydrophobicContact CB-CG 4.31Å; M231-F235 PolarHBondContact O-N 3.22Å; L232-F235 PolarHBondContact O-N 2.82Å; L232-F235 VanDerWaalsContact O-N 3.09Å; F235-G237 PolarHBondContact O-N 3.36Å; F235-G237 VanDerWaalsContact O-N 3.15Å; F235-M250 WeakPolarHBondContact CE1-O 3.22Å; F235-M250 HydrophobicContact CE2-CB 4.2Å; F235-M250 HydrophobicContact CZ-CB 4.04Å; F235-M250 VanDerWaalsContact CZ-O 3.3Å; F235-M250 WeakPolarHBondContact CZ-O 3.49Å; F235-A251 HydrophobicContact CE1-CB 4.48Å; F235-M254 HydrophobicContact CE1-CE 4.14Å |
| 236 | L | 77 | Confident | 61.7 | Low | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -1.4 | 176.9 | -59.8 | 178.8 | 0 | 0 | 0 | 113.7 | Y37 A79 L232 F238 A251 M254 | Y37-L236 HydrophobicContact CD1-CD2 4.14Å; Y37-L236 HydrophobicContact CD2-CD1 4.17Å; Y37-L236 HydrophobicContact CD2-CD2 4.43Å; Y37-L236 HydrophobicContact CE1-CD2 3.95Å; Y37-L236 HydrophobicContact CE2-CB 4.3Å; Y37-L236 HydrophobicContact CE2-CD1 4.03Å; Y37-L236 HydrophobicContact CE2-CD2 4.26Å; Y37-L236 HydrophobicContact CE2-CG 4.43Å; Y37-L236 HydrophobicContact CG-CD2 4.37Å; Y37-L236 PolarHBondContact OH-O 2.76Å; A79-L236 HydrophobicContact CB-CD1 4.07Å; L232-L236 HydrophobicContact CD1-CD1 3.91Å; L232-L236 HydrophobicContact CD1-CD2 4.34Å; L232-L236 HydrophobicContact CD1-CG 3.85Å; L232-L236 HydrophobicContact CD2-CD1 4.11Å; L232-L236 HydrophobicContact CG-CD1 3.78Å; L232-L236 HydrophobicContact CG-CG 4.08Å; L232-L236 PolarHBondContact O-N 3.02Å; L236-F238 VanDerWaalsContact C-N 3.3Å; L236-F238 HydrophobicContact CB-CD2 4.18Å; L236-F238 HydrophobicContact CB-CE2 4.18Å; L236-F238 HydrophobicContact CB-CG 4.49Å; L236-F238 HydrophobicContact CB-CZ 4.49Å; L236-F238 HydrophobicContact CD1-CD2 4.4Å; L236-F238 HydrophobicContact CD1-CE2 3.8Å; L236-F238 HydrophobicContact CD1-CZ 4.31Å; L236-F238 PolarHBondContact O-N 3.44Å; L236-A251 HydrophobicContact CD2-CB 4.27Å; L236-M254 HydrophobicContact CD2-CE 4.14Å |
| 237 | G | 59.8 | Low | 59.6 | Low | 14 Ų | 14 | 41.9 Ų | 41.9 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 11.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K234 F235 K239 | K234-G237 PolarHBondContact O-N 2.8Å; F235-G237 PolarHBondContact O-N 3.36Å; F235-G237 VanDerWaalsContact O-N 3.15Å; G237-K239 PolarHBondContact O-N 2.67Å |
| 238 | F | 52.4 | Low | 57.4 | Low | 30 Ų | 30 | 44 Ų | 44 | 13% | 0.132 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -66.7 | -24.4 | 172.7 | -61.8 | -35.4 | 0 | 0 | 0 | 112.8 | R31 Y33 Y37 A79 S233 L236 | R31-F238 WeakPolarHBondContact O-CA 3.48Å; Y33-F238 VanDerWaalsContact O-CE1 3.28Å; Y33-F238 WeakPolarHBondContact O-CE1 3.38Å; Y37-F238 HydrophobicContact CD2-CZ 4.49Å; Y37-F238 HydrophobicContact CE2-CE1 4.04Å; Y37-F238 AromaticContact CE2-CZ 3.66Å; Y37-F238 HydrophobicContact CE2-CZ 3.66Å; A79-F238 HydrophobicContact CB-CE2 4.08Å; S233-F238 CarbonylContact O-C 3.46Å; S233-F238 WeakPolarHBondContact O-CA 3.46Å; S233-F238 WeakPolarHBondContact O-CB 3.41Å; S233-F238 PolarHBondContact O-N 3.32Å; L236-F238 VanDerWaalsContact C-N 3.3Å; L236-F238 HydrophobicContact CB-CD2 4.18Å; L236-F238 HydrophobicContact CB-CE2 4.18Å; L236-F238 HydrophobicContact CB-CG 4.49Å; L236-F238 HydrophobicContact CB-CZ 4.49Å; L236-F238 HydrophobicContact CD1-CD2 4.4Å; L236-F238 HydrophobicContact CD1-CE2 3.8Å; L236-F238 HydrophobicContact CD1-CZ 4.31Å; L236-F238 PolarHBondContact O-N 3.44Å |
| 239 | K | 42.7 | Very low | 55.4 | Low | 115 Ų | 115 | 48.9 Ų | 48.9 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -137 | 143.6 | 171 | -71.3 | 171.6 | -177.8 | 157 | 0 | 109.2 | S233 K234 G237 | S233-K239 PolarHBondContact O-N 2.82Å; K234-K239 WeakPolarHBondContact CA-O 3.36Å; G237-K239 PolarHBondContact O-N 2.67Å |
| 240 | F | 33.9 | Very low | 54.3 | Low | 105 Ų | 105 | 52.5 Ų | 52.5 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | trans | 71.3 | 179.5 | 164.4 | -118.3 | -113.7 | 0 | 0 | 0 | 118.2 | R31 K234 D468 | R31-F240 PolarHBondContact NH1-O 3.06Å; R31-F240 VanDerWaalsContact NH1-O 3.09Å; K234-F240 HydrophobicContact CG-CB 3.92Å; F240-D468 HydrophobicContact CE1-CB 3.99Å; F240-D468 HydrophobicContact CE2-CB 4.42Å; F240-D468 HydrophobicContact CZ-CB 3.46Å; F240-D468 VanDerWaalsContact CZ-CB 3.46Å | ||
| 241 | E | 33.4 | Very low | 53.6 | Low | 78 Ų | 78 | 52.2 Ų | 52.2 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | trans | 42.9 | 106.8 | 177.1 | -106 | 119.2 | -113.4 | 0 | 0 | 118.6 | R31 K234 S247 | R31-E241 PolarHBondContact NH1-O 3.4Å; R31-E241 PolarHBondContact NH2-O 2.84Å; R31-E241 VanDerWaalsContact NH2-O 3.15Å; K234-E241 VanDerWaalsContact CE-OE1 3.27Å; K234-E241 WeakPolarHBondContact CE-OE1 3.32Å; K234-E241 VanDerWaalsContact CE-OE2 3.22Å; K234-E241 WeakPolarHBondContact CE-OE2 3.39Å; K234-E241 IonicContact NZ-OE1 2.64Å; K234-E241 PolarHBondContact NZ-OE1 2.85Å; K234-E241 IonicContact NZ-OE2 2.69Å; K234-E241 PolarHBondContact NZ-OE2 3.04Å; E241-S247 PolarHBondContact O-OG 2.84Å | ||
| 242 | L | 30.8 | Very low | 52.9 | Low | 58 Ų | 58 | 56.3 Ų | 56.3 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | trans | -120 | 60.7 | 157.1 | -165.9 | 67.9 | 0 | 0 | 0 | 109.1 | A448 | L242-A448 HydrophobicContact CD2-CB 3.68Å; L242-A448 HydrophobicContact CG-CB 4Å | ||
| 243 | T | 30.5 | Very low | 52.7 | Low | 74 Ų | 74 | 57 Ų | 57 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | trans | -59.2 | 145.7 | 145.8 | 36.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 244 | L | 32.2 | Very low | 53 | Low | 102 Ų | 102 | 56.7 Ų | 56.7 | 53% | 0.534 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -65.6 | 141.1 | -177.1 | -68.1 | 100 | 0 | 0 | 0 | 110.5 | C246 | L244-C246 VanDerWaalsContact C-N 3.34Å; L244-C246 PolarHBondContact O-N 2.82Å |
| 245 | A | 31.1 | Very low | 53.4 | Low | 55 Ų | 55 | 55.9 Ų | 55.9 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 60.2 | -73.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | S247 S248 | A245-S247 PolarHBondContact O-N 3.16Å; A245-S247 VanDerWaalsContact O-N 3.11Å; A245-S248 PolarHBondContact O-N 3.01Å; A245-S248 PolarHBondContact O-OG 2.93Å |
| 246 | C | 36.1 | Very low | 53.3 | Low | 65 Ų | 65 | 58.4 Ų | 58.4 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -67.4 | -25.7 | -146.8 | -53.8 | 0 | 0 | 0 | 0 | 117.3 | L244 S248 E249 M250 | L244-C246 VanDerWaalsContact C-N 3.34Å; L244-C246 PolarHBondContact O-N 2.82Å; C246-S248 VanDerWaalsContact C-N 3.27Å; C246-S248 PolarHBondContact O-N 3.41Å; C246-E249 VanDerWaalsContact CA-OE2 3.29Å; C246-E249 WeakPolarHBondContact CA-OE2 3.39Å; C246-E249 PolarHBondContact O-N 3.08Å; C246-M250 PolarHBondContact O-N 3.19Å |
| 247 | S | 37.9 | Very low | 53.5 | Low | 21 Ų | 21 | 63.5 Ų | 63.5 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -71.5 | -19.4 | -174.1 | 73.1 | 0 | 0 | 0 | 0 | 114.2 | E241 A245 | E241-S247 PolarHBondContact O-OG 2.84Å; A245-S247 PolarHBondContact O-N 3.16Å; A245-S247 VanDerWaalsContact O-N 3.11Å |
| 248 | S | 42.6 | Very low | 54.4 | Low | 44 Ų | 44 | 63.1 Ų | 63.1 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -95.9 | -3.5 | 169.8 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | R29 A245 C246 | R29-S248 PolarHBondContact NH1-OG 2.93Å; A245-S248 PolarHBondContact O-N 3.01Å; A245-S248 PolarHBondContact O-OG 2.93Å; C246-S248 VanDerWaalsContact C-N 3.27Å; C246-S248 PolarHBondContact O-N 3.41Å |
| 249 | E | 48.3 | Very low | 55.3 | Low | 102 Ų | 102 | 66.1 Ų | 66.1 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -38 | 177.8 | -66.5 | 164.6 | 173.8 | 0 | 0 | 110.2 | C246 A251 H252 | C246-E249 VanDerWaalsContact CA-OE2 3.29Å; C246-E249 WeakPolarHBondContact CA-OE2 3.39Å; C246-E249 PolarHBondContact O-N 3.08Å; E249-A251 PolarHBondContact O-N 2.75Å; E249-H252 WeakPolarHBondContact O-CB 3.45Å; E249-H252 PolarHBondContact O-N 2.67Å |
| 250 | M | 62.1 | Low | 56.3 | Low | 90 Ų | 90 | 66.7 Ų | 66.7 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -8.8 | 175 | -72.4 | 173.1 | 163.5 | 0 | 0 | 116.2 | F235 C246 | F235-M250 WeakPolarHBondContact CE1-O 3.22Å; F235-M250 HydrophobicContact CE2-CB 4.2Å; F235-M250 HydrophobicContact CZ-CB 4.04Å; F235-M250 VanDerWaalsContact CZ-O 3.3Å; F235-M250 WeakPolarHBondContact CZ-O 3.49Å; C246-M250 PolarHBondContact O-N 3.19Å |
| 251 | A | 67.2 | Low | 57.7 | Low | 6 Ų | 6 | 65.1 Ų | 65.1 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | 22.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y37 F235 L236 E249 M254 | Y37-A251 HydrophobicContact CE1-CB 4.36Å; F235-A251 HydrophobicContact CE1-CB 4.48Å; L236-A251 HydrophobicContact CD2-CB 4.27Å; E249-A251 PolarHBondContact O-N 2.75Å; A251-M254 HydrophobicContact CB-CE 3.63Å |
| 252 | H | 73.1 | Confident | 59.3 | Low | 115 Ų | 115 | 67.7 Ų | 67.7 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -81.4 | -38.8 | -176.7 | -163 | -21.6 | 0 | 0 | 0 | 112.8 | E249 M254 L255 | E249-H252 WeakPolarHBondContact O-CB 3.45Å; E249-H252 PolarHBondContact O-N 2.67Å; H252-M254 PolarHBondContact O-N 3.22Å; H252-M254 VanDerWaalsContact O-N 3.08Å; H252-L255 WeakPolarHBondContact O-CB 3.29Å; H252-L255 PolarHBondContact O-N 2.9Å |
| 253 | C | 83.1 | Confident | 61.2 | Low | 19 Ų | 19 | 66 Ų | 66 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -9.2 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | D130 C159 | D130-C253 WeakPolarHBondContact OD1-CB 3.47Å; D130-C253 PolarHBondContact OD1-SG 2.85Å; C159-C253 WeakPolarHBondContact CA-SG 3.49Å; C159-C253 HydrophobicContact CB-CB 3.98Å; C159-C253 WeakPolarHBondContact CB-SG 3.21Å; C159-C253 WeakPolarHBondContact SG-CB 2.99Å; C159-C253 PolarHBondContact SG-N 3.04Å; C159-C253 VanDerWaalsContact SG-N 3.42Å; C159-C253 CovalentContact SG-SG 2.04Å; C159-C253 PolarHBondContact SG-SG 2.88Å |
| 254 | M | 84.4 | Confident | 62.9 | Low | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 15.9 | -179.2 | -66.7 | -174.4 | -74.2 | 0 | 0 | 113 | Y37 F38 V39 M158 F187 F235 L236 A251 H252 | Y37-M254 CarbonylContact C-O 3.54Å; Y37-M254 WeakPolarHBondContact CA-O 3.4Å; Y37-M254 HydrophobicContact CD1-CB 3.82Å; Y37-M254 WeakPolarHBondContact CD1-O 3.47Å; F38-M254 PolarHBondContact N-O 2.88Å; F38-M254 WeakPolarHBondContact O-CA 3.45Å; F38-M254 WeakPolarHBondContact O-CB 3.3Å; F38-M254 VanDerWaalsContact O-CG 3.23Å; F38-M254 WeakPolarHBondContact O-CG 3.04Å; V39-M254 HydrophobicContact CG2-CG 4.39Å; V39-M254 HydrophobicContact CG2-SD 3.91Å; M158-M254 HydrophobicContact CB-CE 4.41Å; M158-M254 HydrophobicContact CE-SD 4.29Å; M158-M254 HydrophobicContact CG-CE 3.66Å; M158-M254 HydrophobicContact CG-CG 4.37Å; M158-M254 HydrophobicContact CG-SD 3.64Å; M158-M254 HydrophobicContact SD-SD 4.38Å; F187-M254 HydrophobicContact CE1-CE 3.93Å; F187-M254 HydrophobicContact CE1-SD 3.6Å; F187-M254 HydrophobicContact CZ-SD 3.99Å; F235-M254 HydrophobicContact CE1-CE 4.14Å; L236-M254 HydrophobicContact CD2-CE 4.14Å; A251-M254 HydrophobicContact CB-CE 3.63Å; H252-M254 PolarHBondContact O-N 3.22Å; H252-M254 VanDerWaalsContact O-N 3.08Å |
| 255 | L | 81.3 | Confident | 64.2 | Low | 58 Ų | 58 | 61.6 Ų | 61.6 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -111.8 | -25.4 | -172.1 | -69.5 | 178 | 0 | 0 | 0 | 114.6 | Y37 H252 | Y37-L255 HydrophobicContact CD1-CD2 3.79Å; Y37-L255 HydrophobicContact CD1-CG 4.49Å; Y37-L255 HydrophobicContact CE1-CD2 3.51Å; Y37-L255 HydrophobicContact CE1-CG 4.26Å; H252-L255 WeakPolarHBondContact O-CB 3.29Å; H252-L255 PolarHBondContact O-N 2.9Å |
| 256 | D | 79.3 | Confident | 65.7 | Low | 65 Ų | 65 | 64.1 Ų | 64.1 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -73.3 | -168.6 | 161.8 | 59.6 | -79.1 | 0 | 0 | 0 | 110.2 | F38 | F38-D256 WeakPolarHBondContact CD2-O 3.39Š|
| 257 | K | 80.5 | Confident | 67.2 | Low | 116 Ų | 116 | 61.6 Ų | 61.6 | 50% | 0.504 | 32% | 0.319 | S | S | . | . | trans | -149.2 | 132.6 | -172.4 | -179.2 | -167.9 | 170.9 | -162.2 | 0 | 110.6 | F38 V259 | F38-K257 HydrophobicContact CD1-CG 4.16Å; F38-K257 HydrophobicContact CD2-CB 4.24Å; F38-K257 HydrophobicContact CE1-CD 4.45Å; F38-K257 HydrophobicContact CE1-CG 4.12Å; F38-K257 HydrophobicContact CE2-CB 4.3Å; F38-K257 HydrophobicContact CE2-CG 4.49Å; F38-K257 HydrophobicContact CG-CB 4.42Å; F38-K257 HydrophobicContact CG-CG 4.38Å; F38-K257 HydrophobicContact CZ-CD 4.43Å; F38-K257 HydrophobicContact CZ-CG 4.28Å; K257-V259 PolarHBondContact O-N 3.03Å | ||
| 258 | P | 78.6 | Confident | 68.3 | Low | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | trans | -51.5 | 126.1 | -173.6 | 6 | -22 | 0 | 0 | 0 | 114.6 | E40 H84 V86 Q261 | E40-P258 HydrophobicContact CG-CB 4.33Å; E40-P258 WeakPolarHBondContact OE1-CA 3.05Å; E40-P258 WeakPolarHBondContact OE1-CB 3.28Å; H84-P258 HydrophobicContact CB-CG 3.71Å; V86-P258 HydrophobicContact CG1-CB 3.93Å; P258-Q261 WeakPolarHBondContact O-CG 3.5Å | ||
| 259 | V | 71.7 | Confident | 69 | Low | 94 Ų | 94 | 66 Ų | 66 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -63.1 | -45.5 | -173 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | K257 | K257-V259 PolarHBondContact O-N 3.03Š|
| 260 | E | 64.5 | Low | 69.3 | Low | 126 Ų | 126 | 64 Ų | 64 | 59% | 0.589 | 35% | 0.345 | S | S | * | . | trans | -109.3 | 102.2 | 171.8 | -78.6 | -161 | -174.9 | 0 | 0 | 111.8 | A126 K262 | A126-E260 HydrophobicContact CB-CB 4.24Å; A126-E260 HydrophobicContact CB-CG 4.15Å; E260-K262 PolarHBondContact O-N 2.96Å | ||
| 261 | Q | 63.6 | Low | 69 | Low | 72 Ų | 72 | 62.9 Ų | 62.9 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | trans | -77 | 31.5 | 177.9 | -61.5 | -149 | -53.2 | 0 | 0 | 114.2 | H84 P258 Y263 S264 | H84-Q261 PolarHBondContact CE1-NE2 3.13Å; H84-Q261 VanDerWaalsContact CE1-NE2 3.35Å; P258-Q261 WeakPolarHBondContact O-CG 3.5Å; Q261-Y263 PolarHBondContact O-N 2.99Å; Q261-Y263 VanDerWaalsContact O-N 3.15Å; Q261-S264 VanDerWaalsContact O-CB 3.28Å; Q261-S264 WeakPolarHBondContact O-CB 3.4Å; Q261-S264 PolarHBondContact O-N 2.94Å; Q261-S264 PolarHBondContact O-OG 2.82Å | ||
| 262 | K | 66.4 | Low | 68.9 | Low | 132 Ų | 132 | 62.8 Ų | 62.8 | 57% | 0.574 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46 | -48.8 | -169.5 | -176.9 | -170.5 | 171.2 | -158.8 | 0 | 114.5 | E260 | E260-K262 PolarHBondContact O-N 2.96Š|
| 263 | Y | 70.8 | Confident | 68.7 | Low | 23 Ų | 23 | 57.5 Ų | 57.5 | 9% | 0.09 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -6.3 | -178.5 | -54.3 | -79.4 | 0 | 0 | 0 | 113.6 | L62 L85 Q261 A265 M266 L267 | L62-Y263 HydrophobicContact CD2-CD1 4.11Å; L85-Y263 HydrophobicContact CB-CD2 4.48Å; L85-Y263 HydrophobicContact CD2-CD1 4.21Å; L85-Y263 HydrophobicContact CD2-CD2 3.95Å; L85-Y263 HydrophobicContact CD2-CE2 4.48Å; L85-Y263 HydrophobicContact CD2-CG 3.78Å; L85-Y263 HydrophobicContact CG-CD2 3.93Å; L85-Y263 HydrophobicContact CG-CG 4.21Å; L85-Y263 WeakPolarHBondContact O-CD2 3.48Å; Q261-Y263 PolarHBondContact O-N 2.99Å; Q261-Y263 VanDerWaalsContact O-N 3.15Å; Y263-A265 VanDerWaalsContact C-N 3.28Å; Y263-A265 PolarHBondContact O-N 2.88Å; Y263-M266 HydrophobicContact CD1-SD 4.41Å; Y263-M266 WeakPolarHBondContact O-CB 3.43Å; Y263-M266 PolarHBondContact O-N 2.82Å; Y263-L267 WeakPolarHBondContact O-CG 3.27Å; Y263-L267 PolarHBondContact O-N 2.93Å |
| 264 | S | 65.7 | Low | 68.3 | Low | 15 Ų | 15 | 56.7 Ų | 56.7 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.3 | -33.4 | -172.3 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | H84 Q261 T268 | H84-S264 PolarHBondContact ND1-OG 2.69Å; Q261-S264 VanDerWaalsContact O-CB 3.28Å; Q261-S264 WeakPolarHBondContact O-CB 3.4Å; Q261-S264 PolarHBondContact O-N 2.94Å; Q261-S264 PolarHBondContact O-OG 2.82Å; S264-T268 PolarHBondContact O-N 3.02Å; S264-T268 PolarHBondContact O-OG1 3.09Å |
| 265 | A | 60.4 | Low | 67.8 | Low | 69 Ų | 69 | 62.1 Ų | 62.1 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.7 | -36.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y263 T268 A269 | Y263-A265 VanDerWaalsContact C-N 3.28Å; Y263-A265 PolarHBondContact O-N 2.88Å; A265-T268 PolarHBondContact O-N 2.9Å; A265-T268 PolarHBondContact O-OG1 2.74Å; A265-A269 WeakPolarHBondContact O-CB 3.43Å; A265-A269 PolarHBondContact O-N 3.47Å |
| 266 | M | 63.1 | Low | 67.2 | Low | 108 Ų | 108 | 61.8 Ų | 61.8 | 53% | 0.532 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69 | -39.7 | 176.7 | -73.4 | 175.4 | 148.4 | 0 | 0 | 111.9 | L62 Y263 T268 | L62-M266 HydrophobicContact CD1-SD 3.9Å; Y263-M266 HydrophobicContact CD1-SD 4.41Å; Y263-M266 WeakPolarHBondContact O-CB 3.43Å; Y263-M266 PolarHBondContact O-N 2.82Å; M266-T268 VanDerWaalsContact C-N 3.26Å; M266-T268 PolarHBondContact O-N 2.93Å |
| 267 | L | 65.7 | Low | 67.2 | Low | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64 | -28.1 | 178.1 | -69 | 171.2 | 0 | 0 | 0 | 113.3 | L65 S66 L85 Y263 | L65-L267 HydrophobicContact CB-CD2 3.47Å; L65-L267 VanDerWaalsContact CB-CD2 3.47Å; S66-L267 VanDerWaalsContact CB-O 3.28Å; S66-L267 WeakPolarHBondContact CB-O 3.12Å; L85-L267 HydrophobicContact CB-CD1 3.92Å; Y263-L267 WeakPolarHBondContact O-CG 3.27Å; Y263-L267 PolarHBondContact O-N 2.93Å |
| 268 | T | 62.4 | Low | 67.4 | Low | 79 Ų | 79 | 56.6 Ų | 56.6 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -100.3 | -25.5 | 177.6 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | S264 A265 M266 | S264-T268 PolarHBondContact O-N 3.02Å; S264-T268 PolarHBondContact O-OG1 3.09Å; A265-T268 PolarHBondContact O-N 2.9Å; A265-T268 PolarHBondContact O-OG1 2.74Å; M266-T268 VanDerWaalsContact C-N 3.26Å; M266-T268 PolarHBondContact O-N 2.93Å |
| 269 | A | 57.1 | Low | 67.6 | Low | 80 Ų | 80 | 56.7 Ų | 56.7 | 66% | 0.661 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74.4 | -22.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A265 P271 | A265-A269 WeakPolarHBondContact O-CB 3.43Å; A265-A269 PolarHBondContact O-N 3.47Å; A269-P271 VanDerWaalsContact C-CD 3.43Å; A269-P271 VanDerWaalsContact O-CD 3.27Å; A269-P271 WeakPolarHBondContact O-CD 3.43Å |
| 270 | N | 53.5 | Low | 68.2 | Low | 59 Ų | 59 | 55.6 Ų | 55.6 | 32% | 0.316 | 32% | 0.315 | S | S | . | . | trans | -117.7 | 76.7 | 177.7 | -167.5 | 9.4 | 0 | 0 | 0 | 112.5 | S66 A272 | S66-N270 PolarHBondContact OG-O 3.5Å; N270-A272 PolarHBondContact O-N 2.83Å; N270-A272 PolarHBondContact OD1-N 2.74Å | ||
| 271 | P | 55.8 | Low | 69.1 | Low | 67 Ų | 67 | 53 Ų | 53 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | trans | -76.2 | 4.5 | 176 | 34.4 | -37.8 | 0 | 0 | 0 | 113.4 | A269 P273 | A269-P271 VanDerWaalsContact C-CD 3.43Å; A269-P271 VanDerWaalsContact O-CD 3.27Å; A269-P271 WeakPolarHBondContact O-CD 3.43Å; P271-P273 VanDerWaalsContact C-CD 3.4Å; P271-P273 WeakPolarHBondContact O-CD 3.41Å | ||
| 272 | A | 67.1 | Low | 70.2 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | trans | -127.4 | 63.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | N270 G274 L275 D326 W335 | N270-A272 PolarHBondContact O-N 2.83Å; N270-A272 PolarHBondContact OD1-N 2.74Å; A272-G274 PolarHBondContact O-N 3.06Å; A272-L275 HydrophobicContact CB-CD1 3.67Å; A272-L275 HydrophobicContact CB-CG 3.91Å; A272-L275 WeakPolarHBondContact O-CB 3.07Å; A272-L275 PolarHBondContact O-N 2.88Å; A272-D326 CarbonylContact C-O 3.53Å; A272-D326 WeakPolarHBondContact CA-O 3.15Å; A272-W335 HydrophobicContact CB-CH2 4.37Å; A272-W335 HydrophobicContact CB-CZ3 3.73Å | ||
| 273 | P | 68.8 | Low | 71.1 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -41.5 | -35.6 | 175.9 | -35.2 | 38.2 | 0 | 0 | 0 | 116.7 | T63 I67 L173 P271 L275 S276 F277 A325 D326 | T63-P273 HydrophobicContact CG2-CB 3.39Å; T63-P273 HydrophobicContact CG2-CG 3.71Å; I67-P273 HydrophobicContact CD1-CB 4.35Å; I67-P273 HydrophobicContact CD1-CG 3.9Å; I67-P273 HydrophobicContact CG1-CG 3.7Å; L173-P273 HydrophobicContact CD1-CB 4.47Å; P271-P273 VanDerWaalsContact C-CD 3.4Å; P271-P273 WeakPolarHBondContact O-CD 3.41Å; P273-L275 PolarHBondContact O-N 2.03Å; P273-S276 PolarHBondContact O-N 3.44Å; P273-S276 VanDerWaalsContact O-N 3.16Å; P273-S276 PolarHBondContact O-OG 3.23Å; P273-F277 PolarHBondContact O-N 3.38Å; P273-F277 VanDerWaalsContact O-N 3.1Å; P273-A325 HydrophobicContact CB-CB 4.11Å; P273-D326 WeakPolarHBondContact CD-O 3.25Å; P273-D326 VanDerWaalsContact N-O 3.15Å |
| 274 | G | 73.4 | Confident | 71.7 | Confident | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73 | -6.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A272 F277 D326 T328 | A272-G274 PolarHBondContact O-N 3.06Å; G274-F277 WeakPolarHBondContact CA-O 3.32Å; G274-D326 PolarHBondContact N-O 3.06Å; G274-T328 WeakPolarHBondContact CA-OG1 3.49Å |
| 275 | L | 74.4 | Confident | 72.4 | Confident | 115 Ų | 115 | 46.6 Ų | 46.6 | 60% | 0.602 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -80.7 | -27.7 | 167.4 | -65.2 | 178.9 | 0 | 0 | 0 | 112.2 | A272 P273 G327 W335 | A272-L275 HydrophobicContact CB-CD1 3.67Å; A272-L275 HydrophobicContact CB-CG 3.91Å; A272-L275 WeakPolarHBondContact O-CB 3.07Å; A272-L275 PolarHBondContact O-N 2.88Å; P273-L275 PolarHBondContact O-N 2.03Å; L275-G327 WeakPolarHBondContact CD2-O 3.36Å; L275-W335 HydrophobicContact CD1-CZ3 4.47Å |
| 276 | S | 68.9 | Low | 73.2 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -93.1 | -18.1 | 175.1 | 40.1 | 0 | 0 | 0 | 0 | 113.8 | P273 | P273-S276 PolarHBondContact O-N 3.44Å; P273-S276 VanDerWaalsContact O-N 3.16Å; P273-S276 PolarHBondContact O-OG 3.23Å |
| 277 | F | 79.4 | Confident | 73.9 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -137 | 106.9 | -178.4 | -62.5 | -68.9 | 0 | 0 | 0 | 111 | N56 Y60 T63 L173 P273 G274 Q281 Q282 F285 | N56-F277 VanDerWaalsContact ND2-CE1 3.3Å; N56-F277 WeakPolarHBondContact ND2-CE1 3.15Å; Y60-F277 HydrophobicContact CD2-CE2 4.42Å; Y60-F277 HydrophobicContact CD2-CZ 4.02Å; T63-F277 HydrophobicContact CG2-CD2 4.1Å; T63-F277 HydrophobicContact CG2-CE2 3.93Å; L173-F277 HydrophobicContact CD1-CB 4.2Å; L173-F277 HydrophobicContact CD1-CD2 4.25Å; L173-F277 HydrophobicContact CD1-CG 4.48Å; L173-F277 HydrophobicContact CD2-CD2 4.25Å; L173-F277 HydrophobicContact CD2-CE2 4.47Å; P273-F277 PolarHBondContact O-N 3.38Å; P273-F277 VanDerWaalsContact O-N 3.1Å; G274-F277 WeakPolarHBondContact CA-O 3.32Å; F277-Q281 VanDerWaalsContact CA-OE1 3.3Å; F277-Q282 HydrophobicContact CB-CG 4.37Å; F277-Q282 PolarHBondContact O-NE2 3.36Å; F277-F285 HydrophobicContact CB-CE2 4.38Å; F277-F285 AromaticContact CD1-CE2 3.47Å; F277-F285 HydrophobicContact CD1-CE2 3.47Å; F277-F285 VanDerWaalsContact CD1-CE2 3.47Å; F277-F285 AromaticContact CD1-CZ 3.52Å; F277-F285 HydrophobicContact CD1-CZ 3.52Å; F277-F285 AromaticContact CE1-CE2 3.88Å; F277-F285 HydrophobicContact CE1-CE2 3.88Å; F277-F285 AromaticContact CE1-CZ 3.59Å; F277-F285 HydrophobicContact CE1-CZ 3.59Å; F277-F285 HydrophobicContact CG-CE2 4.01Å; F277-F285 HydrophobicContact CG-CZ 4.48Å |
| 278 | D | 84 | Confident | 74.4 | Confident | 67 Ų | 67 | 41.9 Ų | 41.9 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | trans | -69.8 | 168.5 | 178.5 | 77.1 | 53.8 | 0 | 0 | 0 | 112.8 | N280 Q281 Q282 | D278-N280 VanDerWaalsContact C-N 3.26Å; D278-N280 PolarHBondContact O-N 2.78Å; D278-N280 VanDerWaalsContact OD1-CA 3.3Å; D278-N280 WeakPolarHBondContact OD1-CA 3.29Å; D278-N280 VanDerWaalsContact OD1-CB 3.26Å; D278-N280 WeakPolarHBondContact OD1-CB 3.29Å; D278-N280 PolarHBondContact OD1-N 2.82Å; D278-Q281 PolarHBondContact O-N 3.36Å; D278-Q281 VanDerWaalsContact O-N 3.16Å; D278-Q281 PolarHBondContact OD1-N 2.93Å; D278-Q282 VanDerWaalsContact O-CG 3.29Å; D278-Q282 WeakPolarHBondContact O-CG 3.32Å; D278-Q282 PolarHBondContact O-N 3.03Å; D278-Q282 PolarHBondContact O-NE2 3.28Å | ||
| 279 | A | 83.1 | Confident | 75.1 | Confident | 9 Ų | 9 | 43 Ų | 43 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -28 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C283 L293 W324 T328 | A279-C283 PolarHBondContact O-N 3.13Å; A279-C283 VanDerWaalsContact O-N 3.13Å; A279-L293 HydrophobicContact CB-CD1 4.3Å; A279-L293 HydrophobicContact CB-CD2 4.14Å; A279-W324 HydrophobicContact CB-CD2 4.47Å; A279-W324 HydrophobicContact CB-CE3 4.03Å; A279-W324 HydrophobicContact CB-CH2 4.32Å; A279-W324 HydrophobicContact CB-CZ3 3.95Å; A279-T328 HydrophobicContact CB-CG2 4.05Å |
| 280 | N | 84.7 | Confident | 76.1 | Confident | 70 Ų | 70 | 44 Ų | 44 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -75.9 | -42.8 | 173.7 | -61.1 | -63.3 | 0 | 0 | 0 | 110.8 | D278 Q282 C283 Q284 L293 | D278-N280 VanDerWaalsContact C-N 3.26Å; D278-N280 PolarHBondContact O-N 2.78Å; D278-N280 VanDerWaalsContact OD1-CA 3.3Å; D278-N280 WeakPolarHBondContact OD1-CA 3.29Å; D278-N280 VanDerWaalsContact OD1-CB 3.26Å; D278-N280 WeakPolarHBondContact OD1-CB 3.29Å; D278-N280 PolarHBondContact OD1-N 2.82Å; N280-Q282 VanDerWaalsContact C-N 3.3Å; N280-Q282 PolarHBondContact O-N 2.99Å; N280-C283 CarbonylContact O-C 3.54Å; N280-C283 WeakPolarHBondContact O-CA 3.29Å; N280-C283 WeakPolarHBondContact O-CB 3.46Å; N280-C283 PolarHBondContact O-N 3.12Å; N280-Q284 VanDerWaalsContact O-CG 3.31Å; N280-Q284 WeakPolarHBondContact O-CG 3.47Å; N280-Q284 PolarHBondContact O-N 2.84Å; N280-L293 PolarHBondContact OD1-N 3.03Å |
| 281 | Q | 82.5 | Confident | 77.5 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 174.2 | -67.3 | 175 | -31 | 0 | 0 | 111.3 | F277 D278 C283 Q284 F285 | F277-Q281 VanDerWaalsContact CA-OE1 3.3Å; D278-Q281 PolarHBondContact O-N 3.36Å; D278-Q281 VanDerWaalsContact O-N 3.16Å; D278-Q281 PolarHBondContact OD1-N 2.93Å; Q281-C283 VanDerWaalsContact C-N 3.34Å; Q281-C283 PolarHBondContact O-N 2.94Å; Q281-Q284 WeakPolarHBondContact O-CB 3.36Å; Q281-Q284 PolarHBondContact O-N 2.56Å; Q281-Q284 VanDerWaalsContact O-N 3.14Å; Q281-F285 HydrophobicContact CB-CE2 4.46Å; Q281-F285 WeakPolarHBondContact O-CD2 3.3Å; Q281-F285 WeakPolarHBondContact O-CG 3.45Å; Q281-F285 PolarHBondContact O-N 2.86Å |
| 282 | Q | 86.9 | Confident | 79 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.9 | -47.9 | 170.5 | -69.6 | 170.6 | 54.5 | 0 | 0 | 111.2 | L173 F277 D278 N280 Q284 F285 V286 L303 T328 | L173-Q282 HydrophobicContact CD1-CG 3.97Å; F277-Q282 HydrophobicContact CB-CG 4.37Å; F277-Q282 PolarHBondContact O-NE2 3.36Å; D278-Q282 VanDerWaalsContact O-CG 3.29Å; D278-Q282 WeakPolarHBondContact O-CG 3.32Å; D278-Q282 PolarHBondContact O-N 3.03Å; D278-Q282 PolarHBondContact O-NE2 3.28Å; N280-Q282 VanDerWaalsContact C-N 3.3Å; N280-Q282 PolarHBondContact O-N 2.99Å; Q282-Q284 VanDerWaalsContact C-N 3.32Å; Q282-Q284 PolarHBondContact O-N 2.86Å; Q282-F285 PolarHBondContact O-N 2.86Å; Q282-V286 WeakPolarHBondContact O-CG2 3.47Å; Q282-V286 PolarHBondContact O-N 2.95Å; Q282-L303 HydrophobicContact CB-CD1 4.07Å; Q282-L303 HydrophobicContact CB-CD2 3.75Å; Q282-T328 PolarHBondContact NE2-OG1 2.96Å |
| 283 | C | 84.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -32.5 | 175.3 | -83.6 | 0 | 0 | 0 | 0 | 114.1 | A279 N280 Q281 F287 S291 C305 | A279-C283 PolarHBondContact O-N 3.13Å; A279-C283 VanDerWaalsContact O-N 3.13Å; N280-C283 CarbonylContact O-C 3.54Å; N280-C283 WeakPolarHBondContact O-CA 3.29Å; N280-C283 WeakPolarHBondContact O-CB 3.46Å; N280-C283 PolarHBondContact O-N 3.12Å; Q281-C283 VanDerWaalsContact C-N 3.34Å; Q281-C283 PolarHBondContact O-N 2.94Å; C283-F287 PolarHBondContact O-N 3.28Å; C283-S291 WeakPolarHBondContact CB-OG 3.34Å; C283-S291 WeakPolarHBondContact O-CB 3.46Å; C283-S291 PolarHBondContact O-OG 3.39Å; C283-C305 WeakPolarHBondContact CA-SG 3.36Å; C283-C305 HydrophobicContact CB-CB 3.7Å; C283-C305 WeakPolarHBondContact CB-SG 3.43Å; C283-C305 VanDerWaalsContact SG-CA 3.55Å; C283-C305 WeakPolarHBondContact SG-CB 3.37Å; C283-C305 CovalentContact SG-SG 2.04Å; C283-C305 PolarHBondContact SG-SG 3.09Å |
| 284 | Q | 83.5 | Confident | 80.5 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71.6 | -31.4 | 177 | -71.8 | 171.2 | 0.1 | 0 | 0 | 113.1 | Y52 N280 Q281 Q282 G288 S291 | Y52-Q284 PolarHBondContact OH-O 3.48Å; N280-Q284 VanDerWaalsContact O-CG 3.31Å; N280-Q284 WeakPolarHBondContact O-CG 3.47Å; N280-Q284 PolarHBondContact O-N 2.84Å; Q281-Q284 WeakPolarHBondContact O-CB 3.36Å; Q281-Q284 PolarHBondContact O-N 2.56Å; Q281-Q284 VanDerWaalsContact O-N 3.14Å; Q282-Q284 VanDerWaalsContact C-N 3.32Å; Q282-Q284 PolarHBondContact O-N 2.86Å; Q284-G288 WeakPolarHBondContact CA-O 3.17Å; Q284-G288 CarbonylContact O-C 3.6Å; Q284-G288 WeakPolarHBondContact O-CA 3.3Å; Q284-G288 PolarHBondContact O-N 3.33Å; Q284-S291 VanDerWaalsContact CG-O 3.26Å; Q284-S291 WeakPolarHBondContact CG-O 3.29Å |
| 285 | F | 81.2 | Confident | 80.5 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 173.6 | -56.8 | -44.3 | 0 | 0 | 0 | 111.9 | Y52 Y60 R137 F277 Q281 Q282 | Y52-F285 HydrophobicContact CE1-CD1 4.26Å; Y60-F285 HydrophobicContact CE2-CD2 4.22Å; Y60-F285 HydrophobicContact CE2-CE2 4.29Å; R137-F285 PolarHBondContact NH2-O 3.45Å; F277-F285 HydrophobicContact CB-CE2 4.38Å; F277-F285 AromaticContact CD1-CE2 3.47Å; F277-F285 HydrophobicContact CD1-CE2 3.47Å; F277-F285 VanDerWaalsContact CD1-CE2 3.47Å; F277-F285 AromaticContact CD1-CZ 3.52Å; F277-F285 HydrophobicContact CD1-CZ 3.52Å; F277-F285 AromaticContact CE1-CE2 3.88Å; F277-F285 HydrophobicContact CE1-CE2 3.88Å; F277-F285 AromaticContact CE1-CZ 3.59Å; F277-F285 HydrophobicContact CE1-CZ 3.59Å; F277-F285 HydrophobicContact CG-CE2 4.01Å; F277-F285 HydrophobicContact CG-CZ 4.48Å; Q281-F285 HydrophobicContact CB-CE2 4.46Å; Q281-F285 WeakPolarHBondContact O-CD2 3.3Å; Q281-F285 WeakPolarHBondContact O-CG 3.45Å; Q281-F285 PolarHBondContact O-N 2.86Å; Q282-F285 PolarHBondContact O-N 2.86Å |
| 286 | V | 77.2 | Confident | 80.4 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.6 | -47.6 | -175.7 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | N171 Q282 L303 Q320 | N171-V286 WeakPolarHBondContact O-CA 3.44Å; N171-V286 WeakPolarHBondContact O-CG2 3.38Å; Q282-V286 WeakPolarHBondContact O-CG2 3.47Å; Q282-V286 PolarHBondContact O-N 2.95Å; V286-L303 HydrophobicContact CG2-CD2 4.27Å; V286-Q320 HydrophobicContact CG1-CG 3.97Å |
| 287 | F | 78.6 | Confident | 80.8 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -119.3 | 12.5 | -172.9 | -57.1 | -79.8 | 0 | 0 | 0 | 114.6 | C283 C305 T307 R318 Q320 | C283-F287 PolarHBondContact O-N 3.28Å; F287-C305 HydrophobicContact CD2-CB 3.46Å; F287-C305 VanDerWaalsContact CD2-CB 3.46Å; F287-C305 HydrophobicContact CE2-CB 3.74Å; F287-T307 HydrophobicContact CD1-CG2 4.32Å; F287-T307 HydrophobicContact CG-CG2 4.5Å; F287-R318 HydrophobicContact CE1-CB 3.91Å; F287-R318 HydrophobicContact CZ-CB 3.79Å; F287-Q320 HydrophobicContact CZ-CG 4.31Å |
| 288 | G | 75.5 | Confident | 80.7 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | trans | 88.6 | 170.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q284 T290 S291 | Q284-G288 WeakPolarHBondContact CA-O 3.17Å; Q284-G288 CarbonylContact O-C 3.6Å; Q284-G288 WeakPolarHBondContact O-CA 3.3Å; Q284-G288 PolarHBondContact O-N 3.33Å; G288-T290 PolarHBondContact O-N 2.81Å; G288-S291 WeakPolarHBondContact O-CB 3.31Å; G288-S291 PolarHBondContact O-N 3.17Å | ||
| 289 | P | 76.5 | Confident | 80.8 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 68% | 0.675 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.9 | -161.9 | 25.3 | -36.1 | 0 | 0 | 0 | 115.8 | S291 | P289-S291 VanDerWaalsContact C-N 3.33Š|
| 290 | T | 78.4 | Confident | 80.7 | Confident | 101 Ų | 101 | 55.9 Ų | 55.9 | 62% | 0.62 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -6.2 | 175.2 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | G288 P308 | G288-T290 PolarHBondContact O-N 2.81Å; T290-P308 VanDerWaalsContact OG1-CG 3.26Å; T290-P308 WeakPolarHBondContact OG1-CG 3.4Å |
| 291 | S | 83.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | trans | -76.7 | 142.1 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | C283 Q284 G288 P289 C305 | C283-S291 WeakPolarHBondContact CB-OG 3.34Å; C283-S291 WeakPolarHBondContact O-CB 3.46Å; C283-S291 PolarHBondContact O-OG 3.39Å; Q284-S291 VanDerWaalsContact CG-O 3.26Å; Q284-S291 WeakPolarHBondContact CG-O 3.29Å; G288-S291 WeakPolarHBondContact O-CB 3.31Å; G288-S291 PolarHBondContact O-N 3.17Å; P289-S291 VanDerWaalsContact C-N 3.33Å; S291-C305 WeakPolarHBondContact OG-CB 3.44Å | ||
| 292 | S | 85.7 | Confident | 80.3 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | trans | -141 | 167 | 175.8 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | C294 C305 T306 | S292-C294 PolarHBondContact O-N 3.44Å; S292-C305 CarbonylContact O-C 3.53Å; S292-C305 VanDerWaalsContact O-CA 3.23Å; S292-C305 WeakPolarHBondContact O-CA 3.46Å; S292-T306 PolarHBondContact N-OG1 3.49Å; S292-T306 PolarHBondContact O-N 2.05Å; S292-T306 PolarHBondContact O-OG1 2.81Å; S292-T306 PolarHBondContact OG-OG1 2.9Å | ||
| 293 | L | 85.4 | Confident | 80.2 | Confident | 48 Ų | 48 | 57 Ų | 57 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -60.5 | 131.1 | 176.4 | -178.8 | 70 | 0 | 0 | 0 | 110.9 | A279 N280 P295 L303 W324 | A279-L293 HydrophobicContact CB-CD1 4.3Å; A279-L293 HydrophobicContact CB-CD2 4.14Å; N280-L293 PolarHBondContact OD1-N 3.03Å; L293-P295 WeakPolarHBondContact O-CD 3.22Å; L293-L303 HydrophobicContact CD1-CD1 4.38Å; L293-W324 HydrophobicContact CD1-CH2 4.16Å; L293-W324 HydrophobicContact CD1-CZ2 3.52Å; L293-W324 HydrophobicContact CD2-CH2 3.54Å; L293-W324 HydrophobicContact CD2-CZ2 3.73Å; L293-W324 HydrophobicContact CD2-CZ3 4.48Å; L293-W324 HydrophobicContact CG-CZ2 4.26Å |
| 294 | C | 82.4 | Confident | 80.2 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 126.3 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | S292 M297 W304 C317 | S292-C294 PolarHBondContact O-N 3.44Å; C294-M297 HydrophobicContact CB-CG 3.94Å; C294-M297 WeakPolarHBondContact SG-CG 3.5Å; C294-W304 HydrophobicContact CB-CB 3.69Å; C294-W304 VanDerWaalsContact CB-O 3.27Å; C294-W304 WeakPolarHBondContact CB-O 3.49Å; C294-W304 PolarHBondContact N-O 3.25Å; C294-C317 HydrophobicContact CB-CB 3.72Å; C294-C317 WeakPolarHBondContact CB-SG 3.45Å; C294-C317 WeakPolarHBondContact SG-CB 3.48Å; C294-C317 CovalentContact SG-SG 2.02Å; C294-C317 PolarHBondContact SG-SG 2.93Å |
| 295 | P | 74.3 | Confident | 80.4 | Confident | 76 Ų | 76 | 56.9 Ų | 56.9 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 152.8 | 171.2 | -25.2 | 36 | 0 | 0 | 0 | 113.2 | L293 M297 | L293-P295 WeakPolarHBondContact O-CD 3.22Å; P295-M297 PolarHBondContact O-N 3.15Å; P295-M297 VanDerWaalsContact O-N 3.1Å |
| 296 | Y | 72.1 | Confident | 80.6 | Confident | 231 Ų | 231 | 56.5 Ų | 56.5 | 91% | 0.906 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 11.6 | 172.8 | -45 | -71.4 | 0 | 0 | 0 | 117 | ||
| 297 | M | 77.5 | Confident | 80.3 | Confident | 76 Ų | 76 | 56 Ų | 56 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -91.5 | 151.9 | 174.8 | -68.2 | -65.1 | 120.2 | 0 | 0 | 112.7 | C294 P295 T299 W304 | C294-M297 HydrophobicContact CB-CG 3.94Å; C294-M297 WeakPolarHBondContact SG-CG 3.5Å; P295-M297 PolarHBondContact O-N 3.15Å; P295-M297 VanDerWaalsContact O-N 3.1Å; M297-T299 PolarHBondContact O-N 2.91Å; M297-W304 HydrophobicContact CB-CB 3.89Å; M297-W304 HydrophobicContact CB-CG 3.91Å; M297-W304 HydrophobicContact CG-CB 3.65Å; M297-W304 HydrophobicContact CG-CD2 4.19Å; M297-W304 HydrophobicContact CG-CG 3.67Å; M297-W304 HydrophobicContact SD-CD2 4Å; M297-W304 HydrophobicContact SD-CG 4.05Å |
| 298 | P | 77.6 | Confident | 79.6 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 53% | 0.532 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 123.1 | 179.4 | -23 | 34.1 | 0 | 0 | 0 | 112.9 | ||
| 299 | T | 84.8 | Confident | 78.6 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 150.4 | 179.6 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | M297 K301 W324 | M297-T299 PolarHBondContact O-N 2.91Å; T299-K301 PolarHBondContact O-N 3.36Å; T299-W324 HydrophobicContact CG2-CH2 3.78Å; T299-W324 HydrophobicContact CG2-CZ2 4.07Å |
| 300 | C | 82.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -41.6 | 179.7 | -52.7 | 0 | 0 | 0 | 0 | 116.6 | R302 W324 C330 C336 G339 | C300-R302 PolarHBondContact O-N 3.21Å; C300-W324 PolarHBondContact O-N 3.16Å; C300-C330 VanDerWaalsContact SG-CB 3.52Å; C300-C336 WeakPolarHBondContact CA-SG 3.37Å; C300-C336 HydrophobicContact CB-CB 3.67Å; C300-C336 WeakPolarHBondContact CB-SG 3.23Å; C300-C336 WeakPolarHBondContact SG-CA 3.31Å; C300-C336 WeakPolarHBondContact SG-CB 3.41Å; C300-C336 CovalentContact SG-SG 2.04Å; C300-C336 PolarHBondContact SG-SG 3Å; C300-G339 CarbonylContact C-O 3.57Å; C300-G339 WeakPolarHBondContact CB-O 3.46Å |
| 301 | K | 77.4 | Confident | 75.7 | Confident | 100 Ų | 100 | 66 Ų | 66 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -41.3 | -169.8 | -68 | -170.3 | -175.1 | -146.4 | 0 | 113.2 | T299 G339 D340 | T299-K301 PolarHBondContact O-N 3.36Å; K301-G339 WeakPolarHBondContact CA-O 3Å; K301-G339 WeakPolarHBondContact CG-O 3.16Å; K301-G339 PolarHBondContact N-O 3.49Å; K301-G339 VanDerWaalsContact N-O 3.09Å; K301-D340 WeakPolarHBondContact CE-OD1 3.4Å; K301-D340 IonicContact NZ-OD1 3.96Å; K301-D340 PolarHBondContact NZ-OD1 3.37Å; K301-D340 IonicContact NZ-OD2 2.73Å |
| 302 | R | 81.5 | Confident | 74 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 22% | 0.219 | 38% | 0.379 | C | S | . | . | trans | -145.4 | 135.5 | 175.2 | -68.8 | -166.5 | 163.6 | 89.6 | 18 | 111.1 | E216 F217 C300 W304 H321 M322 W324 | E216-R302 PolarHBondContact O-NH2 3.29Å; F217-R302 VanDerWaalsContact CA-NH2 3.34Å; F217-R302 PolarHBondContact O-NH1 3.14Å; F217-R302 VanDerWaalsContact O-NH1 3.15Å; F217-R302 PolarHBondContact O-NH2 3.41Å; C300-R302 PolarHBondContact O-N 3.21Å; R302-W304 PolarHBondContact O-N 2.73Å; R302-H321 PolarHBondContact NE-O 3.14Å; R302-M322 CarbonylContact C-O 3.56Å; R302-M322 VanDerWaalsContact CA-O 3.28Å; R302-M322 WeakPolarHBondContact CA-O 3.34Å; R302-W324 VanDerWaalsContact C-CD1 3.45Å; R302-W324 PolarHBondContact O-NE1 2.91Å | ||
| 303 | L | 83.9 | Confident | 72 | Confident | 14 Ų | 14 | 76.3 Ų | 76.3 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | trans | -76.7 | 105.9 | 171 | -169.2 | 74.7 | 0 | 0 | 0 | 107.8 | Q282 V286 L293 T319 M322 W324 | Q282-L303 HydrophobicContact CB-CD1 4.07Å; Q282-L303 HydrophobicContact CB-CD2 3.75Å; V286-L303 HydrophobicContact CG2-CD2 4.27Å; L293-L303 HydrophobicContact CD1-CD1 4.38Å; L303-T319 VanDerWaalsContact O-CB 3.24Å; L303-T319 WeakPolarHBondContact O-CB 3.36Å; L303-T319 PolarHBondContact O-OG1 2.93Å; L303-M322 PolarHBondContact N-O 2.83Å; L303-W324 HydrophobicContact CD1-CG 4.24Å | ||
| 304 | W | 86 | Confident | 70.2 | Confident | 69 Ų | 69 | 79.5 Ų | 79.5 | 26% | 0.261 | 42% | 0.422 | S | S | . | . | trans | -105.3 | 129.4 | 173.6 | -73.4 | 92.5 | 0 | 0 | 0 | 108.5 | C294 M297 R302 C317 R318 T319 | C294-W304 HydrophobicContact CB-CB 3.69Å; C294-W304 VanDerWaalsContact CB-O 3.27Å; C294-W304 WeakPolarHBondContact CB-O 3.49Å; C294-W304 PolarHBondContact N-O 3.25Å; M297-W304 HydrophobicContact CB-CB 3.89Å; M297-W304 HydrophobicContact CB-CG 3.91Å; M297-W304 HydrophobicContact CG-CB 3.65Å; M297-W304 HydrophobicContact CG-CD2 4.19Å; M297-W304 HydrophobicContact CG-CG 3.67Å; M297-W304 HydrophobicContact SD-CD2 4Å; M297-W304 HydrophobicContact SD-CG 4.05Å; R302-W304 PolarHBondContact O-N 2.73Å; W304-C317 HydrophobicContact CE3-CB 4.28Å; W304-R318 WeakPolarHBondContact CA-O 3.02Å; W304-T319 HydrophobicContact CD2-CG2 3.94Å; W304-T319 HydrophobicContact CE3-CG2 3.85Å; W304-T319 HydrophobicContact CH2-CG2 3.67Å; W304-T319 HydrophobicContact CZ2-CG2 3.74Å; W304-T319 HydrophobicContact CZ3-CG2 3.73Å | ||
| 305 | C | 86.9 | Confident | 68.8 | Low | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.5 | -173 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | C283 F287 S291 S292 C317 R318 | C283-C305 WeakPolarHBondContact CA-SG 3.36Å; C283-C305 HydrophobicContact CB-CB 3.7Å; C283-C305 WeakPolarHBondContact CB-SG 3.43Å; C283-C305 VanDerWaalsContact SG-CA 3.55Å; C283-C305 WeakPolarHBondContact SG-CB 3.37Å; C283-C305 CovalentContact SG-SG 2.04Å; C283-C305 PolarHBondContact SG-SG 3.09Å; F287-C305 HydrophobicContact CD2-CB 3.46Å; F287-C305 VanDerWaalsContact CD2-CB 3.46Å; F287-C305 HydrophobicContact CE2-CB 3.74Å; S291-C305 WeakPolarHBondContact OG-CB 3.44Å; S292-C305 CarbonylContact O-C 3.53Å; S292-C305 VanDerWaalsContact O-CA 3.23Å; S292-C305 WeakPolarHBondContact O-CA 3.46Å; C305-C317 CarbonylContact O-C 3.43Å; C305-C317 VanDerWaalsContact O-CA 3.23Å; C305-C317 WeakPolarHBondContact O-CA 3.49Å; C305-R318 PolarHBondContact N-O 2.82Å; C305-R318 PolarHBondContact O-N 3.1Å |
| 306 | T | 84.3 | Confident | 68.7 | Low | 20 Ų | 20 | 80.5 Ų | 80.5 | 12% | 0.123 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 141.9 | 172.3 | 58.2 | 0 | 0 | 0 | 0 | 110.4 | S292 | S292-T306 PolarHBondContact N-OG1 3.49Å; S292-T306 PolarHBondContact O-N 2.05Å; S292-T306 PolarHBondContact O-OG1 2.81Å; S292-T306 PolarHBondContact OG-OG1 2.9Å |
| 307 | T | 71.3 | Confident | 69.1 | Low | 16 Ų | 16 | 71.7 Ų | 71.7 | 10% | 0.098 | 41% | 0.407 | C | S | . | . | trans | -117.8 | 132.2 | 169.9 | 52.8 | 0 | 0 | 0 | 0 | 111 | F287 Y309 G316 R318 | F287-T307 HydrophobicContact CD1-CG2 4.32Å; F287-T307 HydrophobicContact CG-CG2 4.5Å; T307-Y309 PolarHBondContact O-N 3.42Å; T307-Y309 VanDerWaalsContact O-N 3.14Å; T307-Y309 WeakPolarHBondContact OG1-CE2 3.21Å; T307-G316 PolarHBondContact N-O 3.01Å; T307-G316 PolarHBondContact OG1-O 3.05Å; T307-R318 HydrophobicContact CG2-CB 4.08Å; T307-R318 HydrophobicContact CG2-CG 3.88Å | ||
| 308 | P | 63.8 | Low | 69 | Low | 83 Ų | 83 | 75 Ų | 75 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | trans | -74.9 | 105.2 | 177.7 | -4.5 | 20.1 | 0 | 0 | 0 | 109.6 | T290 | T290-P308 VanDerWaalsContact OG1-CG 3.26Å; T290-P308 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 309 | Y | 55.7 | Low | 69.2 | Low | 140 Ų | 140 | 72.1 Ų | 72.1 | 55% | 0.549 | 40% | 0.396 | S | S | . | . | trans | -82.1 | 133.9 | 160.8 | -78.3 | -90.4 | 0 | 0 | 0 | 108.8 | T307 H311 | T307-Y309 PolarHBondContact O-N 3.42Å; T307-Y309 VanDerWaalsContact O-N 3.14Å; T307-Y309 WeakPolarHBondContact OG1-CE2 3.21Å; Y309-H311 PolarHBondContact O-N 2.89Å | ||
| 310 | G | 48.3 | Very low | 68.6 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -62.7 | 133.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 311 | H | 45.3 | Very low | 68.2 | Low | 195 Ų | 195 | 75.5 Ų | 75.5 | 90% | 0.903 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 48.4 | 81.9 | 166 | -57.3 | -76.5 | 0 | 0 | 0 | 116.8 | Y309 | Y309-H311 PolarHBondContact O-N 2.89Š|
| 312 | G | 46.8 | Very low | 68 | Low | 81 Ų | 81 | 71.4 Ų | 71.4 | 84% | 0.835 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 100.4 | -7.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 313 | Y | 44.4 | Very low | 67.9 | Low | 183 Ų | 183 | 69.4 Ų | 69.4 | 72% | 0.718 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -87.2 | 149 | 171 | -77.7 | -90.3 | 0 | 0 | 0 | 111.8 | S315 | Y313-S315 PolarHBondContact O-N 2.62Š|
| 314 | P | 47.1 | Very low | 67.9 | Low | 115 Ų | 115 | 69.4 Ų | 69.4 | 75% | 0.747 | 38% | 0.384 | S | S | * | . | trans | -57.8 | 134.6 | 176.3 | -23.8 | 33.9 | 0 | 0 | 0 | 112 | G316 | P314-G316 PolarHBondContact O-N 2.8Š| ||
| 315 | S | 54 | Low | 67.7 | Low | 76 Ų | 76 | 66.6 Ų | 66.6 | 53% | 0.531 | 38% | 0.375 | S | S | . | . | trans | -61.7 | 96.8 | -180 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | Y313 | Y313-S315 PolarHBondContact O-N 2.62Š| ||
| 316 | G | 72.3 | Confident | 67.3 | Low | 30 Ų | 30 | 68 Ų | 68 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | trans | -62.3 | 142.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T307 P314 | T307-G316 PolarHBondContact N-O 3.01Å; T307-G316 PolarHBondContact OG1-O 3.05Å; P314-G316 PolarHBondContact O-N 2.8Å | ||
| 317 | C | 80.4 | Confident | 67.1 | Low | 45 Ų | 45 | 67 Ų | 67 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137 | 177.4 | -62.5 | 0 | 0 | 0 | 0 | 112 | C294 W304 C305 | C294-C317 HydrophobicContact CB-CB 3.72Å; C294-C317 WeakPolarHBondContact CB-SG 3.45Å; C294-C317 WeakPolarHBondContact SG-CB 3.48Å; C294-C317 CovalentContact SG-SG 2.02Å; C294-C317 PolarHBondContact SG-SG 2.93Å; W304-C317 HydrophobicContact CE3-CB 4.28Å; C305-C317 CarbonylContact O-C 3.43Å; C305-C317 VanDerWaalsContact O-CA 3.23Å; C305-C317 WeakPolarHBondContact O-CA 3.49Å |
| 318 | R | 76.1 | Confident | 67.7 | Low | 146 Ų | 146 | 66.3 Ų | 66.3 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 161.6 | 174 | -64.5 | -175.8 | 75.5 | 175.6 | -3.5 | 110.7 | F287 W304 C305 T307 | F287-R318 HydrophobicContact CE1-CB 3.91Å; F287-R318 HydrophobicContact CZ-CB 3.79Å; W304-R318 WeakPolarHBondContact CA-O 3.02Å; C305-R318 PolarHBondContact N-O 2.82Å; C305-R318 PolarHBondContact O-N 3.1Å; T307-R318 HydrophobicContact CG2-CB 4.08Å; T307-R318 HydrophobicContact CG2-CG 3.88Å |
| 319 | T | 80.2 | Confident | 68.6 | Low | 22 Ų | 22 | 66.4 Ų | 66.4 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | trans | -143.6 | 155.5 | 172.6 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | L303 W304 H321 | L303-T319 VanDerWaalsContact O-CB 3.24Å; L303-T319 WeakPolarHBondContact O-CB 3.36Å; L303-T319 PolarHBondContact O-OG1 2.93Å; W304-T319 HydrophobicContact CD2-CG2 3.94Å; W304-T319 HydrophobicContact CE3-CG2 3.85Å; W304-T319 HydrophobicContact CH2-CG2 3.67Å; W304-T319 HydrophobicContact CZ2-CG2 3.74Å; W304-T319 HydrophobicContact CZ3-CG2 3.73Å; T319-H321 VanDerWaalsContact C-N 3.29Å; T319-H321 PolarHBondContact OG1-N 3.33Å | ||
| 320 | Q | 72.4 | Confident | 70.1 | Confident | 63 Ų | 63 | 61 Ų | 61 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | trans | -97.5 | 23.2 | 163.8 | -69.7 | -176.9 | -19.7 | 0 | 0 | 111.1 | V286 F287 M322 | V286-Q320 HydrophobicContact CG1-CG 3.97Å; F287-Q320 HydrophobicContact CZ-CG 4.31Å; Q320-M322 PolarHBondContact O-N 3.21Å | ||
| 321 | H | 74.1 | Confident | 71.6 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 33% | 0.329 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 59.8 | -4.1 | -174.2 | -62.6 | -65.9 | 0 | 0 | 0 | 116.8 | L215 R302 T319 | L215-H321 PolarHBondContact O-CD2 3.15Å; R302-H321 PolarHBondContact NE-O 3.14Å; T319-H321 VanDerWaalsContact C-N 3.29Å; T319-H321 PolarHBondContact OG1-N 3.33Å |
| 322 | M | 72.6 | Confident | 73.1 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.069 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 146.8 | 176.1 | -71.2 | -69.4 | -155.7 | 0 | 0 | 113.2 | S174 F177 L215 R302 L303 Q320 | S174-M322 WeakPolarHBondContact O-CE 3.34Å; F177-M322 HydrophobicContact CB-CE 3.74Å; F177-M322 HydrophobicContact CD2-CE 3.68Å; F177-M322 HydrophobicContact CD2-SD 3.61Å; F177-M322 HydrophobicContact CE2-SD 4.15Å; F177-M322 HydrophobicContact CG-CE 4.1Å; F177-M322 HydrophobicContact CG-SD 4.35Å; L215-M322 HydrophobicContact CD1-CE 3.33Å; L215-M322 HydrophobicContact CD1-CG 4.33Å; L215-M322 HydrophobicContact CD1-SD 4.05Å; L215-M322 HydrophobicContact CD2-CE 4.17Å; L215-M322 HydrophobicContact CD2-SD 4.23Å; L215-M322 HydrophobicContact CG-CE 4.41Å; R302-M322 CarbonylContact C-O 3.56Å; R302-M322 VanDerWaalsContact CA-O 3.28Å; R302-M322 WeakPolarHBondContact CA-O 3.34Å; L303-M322 PolarHBondContact N-O 2.83Å; Q320-M322 PolarHBondContact O-N 3.21Å |
| 323 | P | 79.8 | Confident | 74.5 | Confident | 15 Ų | 15 | 59.3 Ų | 59.3 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 171.8 | 176.4 | 34.1 | -38 | 0 | 0 | 0 | 112.4 | F177 P221 W222 | F177-P323 HydrophobicContact CE2-CG 4.39Å; F177-P323 HydrophobicContact CZ-CG 4.5Å; P221-P323 HydrophobicContact CG-CG 4.45Å; W222-P323 HydrophobicContact CH2-CB 3.4Å; W222-P323 VanDerWaalsContact CH2-CB 3.4Å; W222-P323 HydrophobicContact CH2-CG 3.47Å; W222-P323 VanDerWaalsContact CH2-CG 3.47Å; W222-P323 HydrophobicContact CZ2-CB 3.52Å; W222-P323 HydrophobicContact CZ2-CG 3.29Å; W222-P323 HydrophobicContact CZ3-CG 4.42Å |
| 324 | W | 84.2 | Confident | 76.3 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 154.8 | 166.1 | -57.8 | 20.3 | 0 | 0 | 0 | 109 | A279 L293 T299 C300 R302 L303 T328 C336 | A279-W324 HydrophobicContact CB-CD2 4.47Å; A279-W324 HydrophobicContact CB-CE3 4.03Å; A279-W324 HydrophobicContact CB-CH2 4.32Å; A279-W324 HydrophobicContact CB-CZ3 3.95Å; L293-W324 HydrophobicContact CD1-CH2 4.16Å; L293-W324 HydrophobicContact CD1-CZ2 3.52Å; L293-W324 HydrophobicContact CD2-CH2 3.54Å; L293-W324 HydrophobicContact CD2-CZ2 3.73Å; L293-W324 HydrophobicContact CD2-CZ3 4.48Å; L293-W324 HydrophobicContact CG-CZ2 4.26Å; T299-W324 HydrophobicContact CG2-CH2 3.78Å; T299-W324 HydrophobicContact CG2-CZ2 4.07Å; C300-W324 PolarHBondContact O-N 3.16Å; R302-W324 VanDerWaalsContact C-CD1 3.45Å; R302-W324 PolarHBondContact O-NE1 2.91Å; L303-W324 HydrophobicContact CD1-CG 4.24Å; W324-T328 HydrophobicContact CE3-CG2 3.68Å; W324-T328 HydrophobicContact CZ3-CG2 4.18Å; W324-C336 HydrophobicContact CB-CB 4.49Å; W324-C336 VanDerWaalsContact CE3-SG 3.54Å |
| 325 | A | 81 | Confident | 78 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 138.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L173 P273 G327 T328 | L173-A325 HydrophobicContact CD1-CB 3.76Å; P273-A325 HydrophobicContact CB-CB 4.11Å; A325-G327 PolarHBondContact O-N 2.88Å; A325-T328 WeakPolarHBondContact O-CB 3.35Å; A325-T328 PolarHBondContact O-N 3.45Å; A325-T328 VanDerWaalsContact O-N 3.08Å; A325-T328 PolarHBondContact O-OG1 3.21Å |
| 326 | D | 80.4 | Confident | 79.5 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.15 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 135.5 | 171.4 | -76.7 | 3.5 | 0 | 0 | 0 | 109.3 | A272 P273 G274 C336 Y337 R338 | A272-D326 CarbonylContact C-O 3.53Å; A272-D326 WeakPolarHBondContact CA-O 3.15Å; P273-D326 WeakPolarHBondContact CD-O 3.25Å; P273-D326 VanDerWaalsContact N-O 3.15Å; G274-D326 PolarHBondContact N-O 3.06Å; D326-C336 CarbonylContact C-O 3.58Å; D326-C336 WeakPolarHBondContact CA-O 3.5Å; D326-Y337 WeakPolarHBondContact OD1-CA 3.35Å; D326-R338 VanDerWaalsContact CG-N 3.32Å; D326-R338 PolarHBondContact OD1-N 2.84Å; D326-R338 PolarHBondContact OD2-N 2.91Å |
| 327 | G | 79.2 | Confident | 79.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -17.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L275 A325 P329 C336 | L275-G327 WeakPolarHBondContact CD2-O 3.36Å; A325-G327 PolarHBondContact O-N 2.88Å; G327-P329 WeakPolarHBondContact O-CD 3.4Å; G327-C336 PolarHBondContact N-O 2.98Å |
| 328 | T | 84.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | trans | -64.1 | 128.2 | -174.9 | -49 | 0 | 0 | 0 | 0 | 110.8 | G274 A279 Q282 W324 A325 C330 W335 C336 | G274-T328 WeakPolarHBondContact CA-OG1 3.49Å; A279-T328 HydrophobicContact CB-CG2 4.05Å; Q282-T328 PolarHBondContact NE2-OG1 2.96Å; W324-T328 HydrophobicContact CE3-CG2 3.68Å; W324-T328 HydrophobicContact CZ3-CG2 4.18Å; A325-T328 WeakPolarHBondContact O-CB 3.35Å; A325-T328 PolarHBondContact O-N 3.45Å; A325-T328 VanDerWaalsContact O-N 3.08Å; A325-T328 PolarHBondContact O-OG1 3.21Å; T328-C330 PolarHBondContact O-N 3.14Å; T328-W335 CarbonylContact O-C 3.44Å; T328-W335 VanDerWaalsContact O-CA 3.32Å; T328-W335 WeakPolarHBondContact O-CA 3.08Å; T328-C336 PolarHBondContact O-N 2.96Å; T328-C336 PolarHBondContact O-SG 2.93Å | ||
| 329 | P | 82.4 | Confident | 79.4 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 55% | 0.552 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 129.3 | 175.7 | -25.6 | 35.2 | 0 | 0 | 0 | 112.1 | G327 | G327-P329 WeakPolarHBondContact O-CD 3.4Å |
| 330 | C | 85.9 | Confident | 79.4 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 2.7 | -178.5 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | C300 T328 R334 W335 C341 | C300-C330 VanDerWaalsContact SG-CB 3.52Å; T328-C330 PolarHBondContact O-N 3.14Å; C330-R334 PolarHBondContact N-O 2.93Å; C330-R334 VanDerWaalsContact SG-C 3.5Å; C330-W335 VanDerWaalsContact SG-CA 3.54Å; C330-W335 PolarHBondContact SG-N 3.27Å; C330-W335 VanDerWaalsContact SG-N 3.42Å; C330-W335 PolarHBondContact SG-O 2.9Å; C330-C341 HydrophobicContact CB-CB 3.92Å; C330-C341 WeakPolarHBondContact CB-SG 3.28Å; C330-C341 WeakPolarHBondContact SG-CA 3.5Å; C330-C341 WeakPolarHBondContact SG-CB 3.03Å; C330-C341 CovalentContact SG-SG 2.03Å; C330-C341 PolarHBondContact SG-SG 3.36Å |
| 331 | G | 80.8 | Confident | 79.8 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 43% | 0.433 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | 179 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N333 R334 | G331-N333 PolarHBondContact O-N 2.94Å; G331-R334 PolarHBondContact N-O 3.49Å; G331-R334 PolarHBondContact O-N 3.38Å; G331-R334 VanDerWaalsContact O-O 3.14Å |
| 332 | S | 75.9 | Confident | 80 | Confident | 119 Ų | 119 | 40.8 Ų | 40.8 | 83% | 0.832 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 119.3 | 177.2 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | R334 | S332-R334 WeakPolarHBondContact O-CG 3.42Å; S332-R334 PolarHBondContact O-N 3.45Å; S332-R334 VanDerWaalsContact O-N 3.15Å |
| 333 | N | 76.7 | Confident | 80.2 | Confident | 139 Ų | 139 | 41.8 Ų | 41.8 | 74% | 0.743 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 30.8 | -172.2 | -67 | -3.3 | 0 | 0 | 0 | 114.7 | G331 I344 | G331-N333 PolarHBondContact O-N 2.94Å; N333-I344 PolarHBondContact O-N 2.65Å |
| 334 | R | 82.1 | Confident | 79.5 | Confident | 117 Ų | 117 | 45.5 Ų | 45.5 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.7 | -177.9 | -72.7 | 168.9 | 134 | -83.7 | -7.9 | 111.9 | C330 G331 S332 C341 V342 | C330-R334 PolarHBondContact N-O 2.93Å; C330-R334 VanDerWaalsContact SG-C 3.5Å; G331-R334 PolarHBondContact N-O 3.49Å; G331-R334 PolarHBondContact O-N 3.38Å; G331-R334 VanDerWaalsContact O-O 3.14Å; S332-R334 WeakPolarHBondContact O-CG 3.42Å; S332-R334 PolarHBondContact O-N 3.45Å; S332-R334 VanDerWaalsContact O-N 3.15Å; R334-C341 PolarHBondContact NH1-O 2.93Å; R334-C341 PolarHBondContact NH1-SG 3Å; R334-V342 CarbonylContact C-O 3.59Å; R334-V342 WeakPolarHBondContact CA-O 3.46Å; R334-V342 WeakPolarHBondContact CB-O 3.33Å |
| 335 | W | 83.5 | Confident | 78.2 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 159.4 | -177.3 | 71.9 | -13.1 | 0 | 0 | 0 | 112 | A272 L275 T328 C330 Y337 V342 I344 M349 | A272-W335 HydrophobicContact CB-CH2 4.37Å; A272-W335 HydrophobicContact CB-CZ3 3.73Å; L275-W335 HydrophobicContact CD1-CZ3 4.47Å; T328-W335 CarbonylContact O-C 3.44Å; T328-W335 VanDerWaalsContact O-CA 3.32Å; T328-W335 WeakPolarHBondContact O-CA 3.08Å; C330-W335 VanDerWaalsContact SG-CA 3.54Å; C330-W335 PolarHBondContact SG-N 3.27Å; C330-W335 VanDerWaalsContact SG-N 3.42Å; C330-W335 PolarHBondContact SG-O 2.9Å; W335-Y337 HydrophobicContact CZ2-CD2 4.5Å; W335-V342 PolarHBondContact N-O 2.67Å; W335-V342 PolarHBondContact O-N 2.88Å; W335-I344 HydrophobicContact CB-CG1 4.05Å; W335-I344 HydrophobicContact CD2-CG1 4.11Å; W335-I344 HydrophobicContact CG-CG1 3.78Å; W335-M349 HydrophobicContact CH2-CE 4.1Å; W335-M349 HydrophobicContact CH2-CG 3.84Å; W335-M349 HydrophobicContact CH2-SD 3.66Å; W335-M349 HydrophobicContact CZ2-CE 4.5Å; W335-M349 HydrophobicContact CZ2-CG 4.2Å; W335-M349 HydrophobicContact CZ2-SD 4.43Å; W335-M349 HydrophobicContact CZ3-SD 4.38Å |
| 336 | C | 84.4 | Confident | 77 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.4 | 174.2 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | C300 W324 D326 G327 T328 D340 | C300-C336 WeakPolarHBondContact CA-SG 3.37Å; C300-C336 HydrophobicContact CB-CB 3.67Å; C300-C336 WeakPolarHBondContact CB-SG 3.23Å; C300-C336 WeakPolarHBondContact SG-CA 3.31Å; C300-C336 WeakPolarHBondContact SG-CB 3.41Å; C300-C336 CovalentContact SG-SG 2.04Å; C300-C336 PolarHBondContact SG-SG 3Å; W324-C336 HydrophobicContact CB-CB 4.49Å; W324-C336 VanDerWaalsContact CE3-SG 3.54Å; D326-C336 CarbonylContact C-O 3.58Å; D326-C336 WeakPolarHBondContact CA-O 3.5Å; G327-C336 PolarHBondContact N-O 2.98Å; T328-C336 PolarHBondContact O-N 2.96Å; T328-C336 PolarHBondContact O-SG 2.93Å; C336-D340 WeakPolarHBondContact CA-O 3.28Å |
| 337 | Y | 78.9 | Confident | 75.7 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 13% | 0.125 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 117.8 | 175.7 | -173.7 | -100.7 | 0 | 0 | 0 | 109.9 | D326 W335 G339 D340 V342 H348 N387 | D326-Y337 WeakPolarHBondContact OD1-CA 3.35Å; W335-Y337 HydrophobicContact CZ2-CD2 4.5Å; Y337-G339 PolarHBondContact O-N 2.02Å; Y337-G339 VanDerWaalsContact O-N 3.13Å; Y337-D340 PolarHBondContact N-O 2.81Å; Y337-D340 PolarHBondContact O-N 3.27Å; Y337-D340 VanDerWaalsContact O-N 3.11Å; Y337-V342 HydrophobicContact CG-CG2 4.43Å; Y337-H348 AromaticContact CE1-ND1 3.87Å; Y337-H348 HydrophobicContact CE2-CB 4.37Å; Y337-H348 PolarHBondContact OH-O 2.82Å; Y337-N387 PolarHBondContact OH-OD1 2.83Å |
| 338 | R | 72.4 | Confident | 74.6 | Confident | 80 Ų | 80 | 56 Ų | 56 | 30% | 0.302 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 37 | -173.5 | -56.1 | -171.8 | -173.3 | 106.3 | 19.2 | 113.7 | W222 D326 | W222-R338 HydrophobicContact CD2-CB 4.39Å; W222-R338 WeakPolarHBondContact CH2-O 3.43Å; W222-R338 WeakPolarHBondContact CZ3-O 3.41Å; D326-R338 VanDerWaalsContact CG-N 3.32Å; D326-R338 PolarHBondContact OD1-N 2.84Å; D326-R338 PolarHBondContact OD2-N 2.91Å |
| 339 | G | 75.8 | Confident | 73.3 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -8.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | W222 C300 K301 Y337 | W222-G339 VanDerWaalsContact CH2-N 3.32Å; C300-G339 CarbonylContact C-O 3.57Å; C300-G339 WeakPolarHBondContact CB-O 3.46Å; K301-G339 WeakPolarHBondContact CA-O 3Å; K301-G339 WeakPolarHBondContact CG-O 3.16Å; K301-G339 PolarHBondContact N-O 3.49Å; K301-G339 VanDerWaalsContact N-O 3.09Å; Y337-G339 PolarHBondContact O-N 2.02Å; Y337-G339 VanDerWaalsContact O-N 3.13Å |
| 340 | D | 80.7 | Confident | 72.7 | Confident | 56 Ų | 56 | 62 Ų | 62 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 149.8 | 173.7 | -88.3 | -58.4 | 0 | 0 | 0 | 111.7 | K301 C336 Y337 V342 | K301-D340 WeakPolarHBondContact CE-OD1 3.4Å; K301-D340 IonicContact NZ-OD1 3.96Å; K301-D340 PolarHBondContact NZ-OD1 3.37Å; K301-D340 IonicContact NZ-OD2 2.73Å; C336-D340 WeakPolarHBondContact CA-O 3.28Å; Y337-D340 PolarHBondContact N-O 2.81Å; Y337-D340 PolarHBondContact O-N 3.27Å; Y337-D340 VanDerWaalsContact O-N 3.11Å; D340-V342 HydrophobicContact CB-CG1 4.39Å |
| 341 | C | 80.7 | Confident | 72 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 107.1 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | C330 R334 | C330-C341 HydrophobicContact CB-CB 3.92Å; C330-C341 WeakPolarHBondContact CB-SG 3.28Å; C330-C341 WeakPolarHBondContact SG-CA 3.5Å; C330-C341 WeakPolarHBondContact SG-CB 3.03Å; C330-C341 CovalentContact SG-SG 2.03Å; C330-C341 PolarHBondContact SG-SG 3.36Å; R334-C341 PolarHBondContact NH1-O 2.93Å; R334-C341 PolarHBondContact NH1-SG 3Å |
| 342 | V | 78.6 | Confident | 71.9 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 165.4 | -173.7 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | R334 W335 Y337 D340 | R334-V342 CarbonylContact C-O 3.59Å; R334-V342 WeakPolarHBondContact CA-O 3.46Å; R334-V342 WeakPolarHBondContact CB-O 3.33Å; W335-V342 PolarHBondContact N-O 2.67Å; W335-V342 PolarHBondContact O-N 2.88Å; Y337-V342 HydrophobicContact CG-CG2 4.43Å; D340-V342 HydrophobicContact CB-CG1 4.39Å |
| 343 | G | 75.3 | Confident | 72.2 | Confident | 35 Ų | 35 | 63 Ų | 63 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 148.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A345 | G343-A345 PolarHBondContact O-N 2.05Å |
| 344 | I | 65.1 | Low | 72.5 | Confident | 93 Ų | 93 | 57.1 Ų | 57.1 | 48% | 0.477 | 33% | 0.329 | S | S | . | . | trans | -76 | 94.9 | 176.1 | -57 | 168.4 | 0 | 0 | 0 | 108.9 | N333 W335 | N333-I344 PolarHBondContact O-N 2.65Å; W335-I344 HydrophobicContact CB-CG1 4.05Å; W335-I344 HydrophobicContact CD2-CG1 4.11Å; W335-I344 HydrophobicContact CG-CG1 3.78Å | ||
| 345 | A | 58.2 | Low | 72.6 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | trans | -124.8 | 130.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G343 A347 H348 | G343-A345 PolarHBondContact O-N 2.05Å; A345-A347 PolarHBondContact O-N 2.99Å; A345-H348 PolarHBondContact O-N 2.98Å | ||
| 346 | P | 55.1 | Low | 72.5 | Confident | 96 Ų | 96 | 55.2 Ų | 55.2 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -55.2 | -28.8 | -175.7 | -29.2 | 35.8 | 0 | 0 | 0 | 115.4 | H348 M349 L350 | P346-H348 PolarHBondContact O-N 2.97Å; P346-H348 VanDerWaalsContact O-N 3.13Å; P346-M349 PolarHBondContact O-N 3.04Å; P346-L350 PolarHBondContact O-N 3.47Å |
| 347 | A | 53 | Low | 72.3 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -60.5 | -19.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | A345 N387 | A345-A347 PolarHBondContact O-N 2.99Å; A347-N387 PolarHBondContact O-ND2 2.81Å; A347-N387 VanDerWaalsContact O-ND2 3.07Å |
| 348 | H | 56.3 | Low | 72.5 | Confident | 69 Ų | 69 | 61 Ų | 61 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -83.6 | -10.2 | 176 | -69.6 | -107.7 | 0 | 0 | 0 | 113.7 | Y337 A345 P346 | Y337-H348 AromaticContact CE1-ND1 3.87Å; Y337-H348 HydrophobicContact CE2-CB 4.37Å; Y337-H348 PolarHBondContact OH-O 2.82Å; A345-H348 PolarHBondContact O-N 2.98Å; P346-H348 PolarHBondContact O-N 2.97Å; P346-H348 VanDerWaalsContact O-N 3.13Å |
| 349 | M | 57.7 | Low | 72.9 | Confident | 88 Ų | 88 | 60 Ų | 60 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -24.1 | -176.2 | -71.2 | -174 | -91.4 | 0 | 0 | 114.1 | W335 P346 A351 | W335-M349 HydrophobicContact CH2-CE 4.1Å; W335-M349 HydrophobicContact CH2-CG 3.84Å; W335-M349 HydrophobicContact CH2-SD 3.66Å; W335-M349 HydrophobicContact CZ2-CE 4.5Å; W335-M349 HydrophobicContact CZ2-CG 4.2Å; W335-M349 HydrophobicContact CZ2-SD 4.43Å; W335-M349 HydrophobicContact CZ3-SD 4.38Å; P346-M349 PolarHBondContact O-N 3.04Å; M349-A351 PolarHBondContact O-N 3.3Å |
| 350 | L | 68.6 | Low | 73.2 | Confident | 123 Ų | 123 | 64.9 Ų | 64.9 | 64% | 0.644 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -71.6 | 116.8 | 176.7 | -69.7 | 173.6 | 0 | 0 | 0 | 110.4 | P346 N387 | P346-L350 PolarHBondContact O-N 3.47Å; L350-N387 VanDerWaalsContact O-CB 3.26Å; L350-N387 WeakPolarHBondContact O-CB 3.08Å; L350-N387 PolarHBondContact O-ND2 3.14Å |
| 351 | A | 71.8 | Confident | 73.1 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 53% | 0.529 | 40% | 0.402 | S | S | . | . | trans | -60.7 | 132 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | M349 | M349-A351 PolarHBondContact O-N 3.3Š| ||
| 352 | V | 78.8 | Confident | 73.2 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -119.5 | 108.5 | 174 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | P383 P385 S386 | V352-P383 HydrophobicContact CG1-CB 4.35Å; V352-P383 HydrophobicContact CG1-CG 3.87Å; V352-P385 VanDerWaalsContact O-CA 3.3Å; V352-P385 WeakPolarHBondContact O-CA 3.2Å; V352-S386 PolarHBondContact N-O 2.95Å; V352-S386 PolarHBondContact O-N 3.36Å |
| 353 | D | 82.3 | Confident | 73.4 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | trans | -65.4 | 142.1 | 172.4 | -73.7 | 3.6 | 0 | 0 | 0 | 109.9 | G389 K390 | D353-G389 WeakPolarHBondContact OD1-CA 3.41Å; D353-K390 HydrophobicContact CB-CB 4.38Å; D353-K390 PolarHBondContact OD1-N 3.27Å | ||
| 354 | G | 82.9 | Confident | 74 | Confident | 15 Ų | 15 | 75 Ų | 75 | 16% | 0.155 | 42% | 0.423 | C | S | . | . | trans | -76.9 | 149.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | P383 K390 C392 | G354-P383 VanDerWaalsContact CA-O 3.23Å; G354-P383 WeakPolarHBondContact CA-O 3.5Å; G354-K390 PolarHBondContact N-O 2.84Å; G354-C392 PolarHBondContact O-SG 3.24Å; G354-C392 VanDerWaalsContact O-SG 3.34Å | ||
| 355 | A | 83.9 | Confident | 75 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | trans | -125.8 | 154.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G357 D381 N382 P383 C392 | A355-G357 PolarHBondContact O-N 3.26Å; A355-D381 PolarHBondContact O-N 2.83Å; A355-N382 WeakPolarHBondContact CB-O 3.42Å; A355-N382 CarbonylContact O-C 3.6Å; A355-N382 PolarHBondContact O-N 2.85Å; A355-P383 PolarHBondContact N-O 3.3Å; A355-C392 VanDerWaalsContact CA-SG 3.52Å; A355-C392 PolarHBondContact N-SG 3.01Å | ||
| 356 | W | 82.2 | Confident | 76.5 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 130.2 | -174.3 | -68.8 | 112.9 | 0 | 0 | 0 | 111.9 | R378 C380 C392 V393 R396 | W356-R378 HydrophobicContact CD2-CG 4.46Å; W356-R378 HydrophobicContact CE3-CG 3.95Å; W356-R378 VanDerWaalsContact CG-NH1 3.32Å; W356-C380 HydrophobicContact CE3-CB 4.31Å; W356-C380 HydrophobicContact CZ3-CB 4.02Å; W356-C392 HydrophobicContact CD2-CB 3.65Å; W356-C392 HydrophobicContact CE3-CB 3.94Å; W356-C392 HydrophobicContact CG-CB 4.29Å; W356-C392 HydrophobicContact CH2-CB 3.53Å; W356-C392 HydrophobicContact CZ2-CB 3.29Å; W356-C392 VanDerWaalsContact CZ2-O 3.29Å; W356-C392 WeakPolarHBondContact CZ2-O 3.06Å; W356-C392 HydrophobicContact CZ3-CB 3.87Å; W356-V393 PolarHBondContact NE1-O 2.92Å; W356-R396 HydrophobicContact CH2-CG 3.33Å; W356-R396 HydrophobicContact CZ2-CG 4.22Å; W356-R396 HydrophobicContact CZ3-CG 3.71Å |
| 357 | G | 80.4 | Confident | 77.9 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -68 | 171.2 | 163 | 0 | 0 | 0 | 0 | 0 | 112.3 | A355 E379 D381 | A355-G357 PolarHBondContact O-N 3.26Å; G357-E379 PolarHBondContact N-O 3.25Å; G357-D381 WeakPolarHBondContact CA-OD1 3.46Å |
| 358 | E | 82.6 | Confident | 79.3 | Confident | 146 Ų | 146 | 70.4 Ų | 70.4 | 68% | 0.682 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 156.1 | 176.6 | -75 | -58 | 154.3 | 0 | 0 | 112.6 | K360 | E358-K360 PolarHBondContact O-N 3.38Š|
| 359 | W | 80 | Confident | 80.7 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 118 | 176.2 | -70.8 | 98.8 | 0 | 0 | 0 | 110.9 | A376 R378 E395 R396 R398 | W359-A376 HydrophobicContact CE3-CB 4.36Å; W359-A376 WeakPolarHBondContact CZ3-O 3.42Å; W359-R378 HydrophobicContact CD2-CB 4.17Å; W359-R378 HydrophobicContact CD2-CG 4.11Å; W359-R378 HydrophobicContact CE3-CB 3.93Å; W359-R378 HydrophobicContact CE3-CG 3.87Å; W359-R378 HydrophobicContact CH2-CG 4Å; W359-R378 HydrophobicContact CZ2-CG 4.23Å; W359-R378 HydrophobicContact CZ3-CB 4.31Å; W359-R378 HydrophobicContact CZ3-CG 3.8Å; W359-E395 HydrophobicContact CH2-CB 4.33Å; W359-R396 WeakPolarHBondContact CZ3-O 3.38Å; W359-R398 VanDerWaalsContact CB-NH2 3.34Å; W359-R398 HydrophobicContact CD2-CG 4.13Å; W359-R398 HydrophobicContact CE3-CG 3.77Å; W359-R398 VanDerWaalsContact CG-CZ 3.45Å; W359-R398 HydrophobicContact CH2-CB 3.85Å; W359-R398 HydrophobicContact CH2-CG 3.84Å; W359-R398 HydrophobicContact CZ2-CB 4.32Å; W359-R398 HydrophobicContact CZ2-CG 4.19Å; W359-R398 HydrophobicContact CZ3-CB 4.04Å; W359-R398 HydrophobicContact CZ3-CG 3.63Å |
| 360 | K | 82 | Confident | 81.7 | Confident | 105 Ų | 105 | 64.6 Ų | 64.6 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 148.7 | 168.2 | -61.6 | 170.5 | -180 | 169.1 | 0 | 109.9 | E358 A376 T377 E379 | E358-K360 PolarHBondContact O-N 3.38Å; K360-A376 WeakPolarHBondContact O-CB 3.26Å; K360-T377 VanDerWaalsContact CB-O 3.24Å; K360-T377 WeakPolarHBondContact CB-O 3.5Å; K360-T377 WeakPolarHBondContact CG-O 3.37Å; K360-T377 PolarHBondContact N-O 2.85Å; K360-E379 IonicContact NZ-OE1 2.66Å; K360-E379 PolarHBondContact NZ-OE1 3.33Å |
| 361 | S | 79.8 | Confident | 82.4 | Confident | 116 Ų | 116 | 58.7 Ų | 58.7 | 81% | 0.811 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -48.1 | 145.5 | -179.9 | -56 | 0 | 0 | 0 | 0 | 112.8 | S363 | S361-S363 PolarHBondContact O-N 3.08Š|
| 362 | W | 82.4 | Confident | 83.2 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 26% | 0.258 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 135.3 | 175.8 | -67 | 98.5 | 0 | 0 | 0 | 110.9 | K374 K375 A376 R398 R400 | W362-K374 HydrophobicContact CB-CB 4.39Å; W362-K374 HydrophobicContact CB-CD 4.39Å; W362-K374 HydrophobicContact CE3-CB 4.1Å; W362-K374 WeakPolarHBondContact CZ3-O 3.42Å; W362-K375 WeakPolarHBondContact CA-O 3.46Å; W362-A376 HydrophobicContact CD2-CB 3.67Å; W362-A376 HydrophobicContact CE3-CB 3.52Å; W362-A376 HydrophobicContact CG-CB 4.26Å; W362-A376 HydrophobicContact CH2-CB 4.23Å; W362-A376 HydrophobicContact CZ2-CB 4.33Å; W362-A376 HydrophobicContact CZ3-CB 3.81Å; W362-R398 HydrophobicContact CH2-CB 4.42Å; W362-R398 HydrophobicContact CH2-CG 3.62Å; W362-R398 HydrophobicContact CZ2-CG 4.23Å; W362-R398 HydrophobicContact CZ3-CG 4.08Å; W362-R400 VanDerWaalsContact CD1-NH2 3.33Å; W362-R400 HydrophobicContact CD2-CG 4.2Å; W362-R400 VanDerWaalsContact CD2-NE 3.29Å; W362-R400 HydrophobicContact CE3-CG 3.79Å; W362-R400 HydrophobicContact CH2-CB 3.87Å; W362-R400 HydrophobicContact CH2-CG 3.78Å; W362-R400 HydrophobicContact CZ2-CG 4.2Å; W362-R400 HydrophobicContact CZ3-CB 3.97Å; W362-R400 HydrophobicContact CZ3-CG 3.57Å |
| 363 | S | 83.6 | Confident | 83.7 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | trans | -59.4 | 175.4 | 174 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | S361 K374 K375 | S361-S363 PolarHBondContact O-N 3.08Å; S363-K374 WeakPolarHBondContact O-CD 3.26Å; S363-K374 VanDerWaalsContact O-CE 3.25Å; S363-K374 WeakPolarHBondContact O-CE 3.48Å; S363-K374 WeakPolarHBondContact O-CG 3.3Å; S363-K374 PolarHBondContact O-NZ 2.93Å; S363-K375 PolarHBondContact N-O 2.83Å; S363-K375 WeakPolarHBondContact OG-CG 3.4Å; S363-K375 PolarHBondContact OG-N 3.08Å | ||
| 364 | E | 87.7 | Confident | 83.9 | Confident | 146 Ų | 146 | 50.6 Ų | 50.6 | 68% | 0.682 | 28% | 0.276 | S | S | * | . | trans | -67 | 157.3 | 160.5 | -73.9 | -42.8 | 110.4 | 0 | 0 | 114.1 | K374 | E364-K374 IonicContact OE1-NZ 2.72Å; E364-K374 PolarHBondContact OE1-NZ 2.04Å; E364-K374 IonicContact OE2-NZ 2.68Å; E364-K374 PolarHBondContact OE2-NZ 3.04Å | ||
| 365 | C | 86.5 | Confident | 84 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | trans | -75.9 | 132.8 | -176.1 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | R367 K374 C402 N403 | C365-R367 PolarHBondContact O-N 3.09Å; C365-R367 PolarHBondContact SG-O 2.87Å; C365-K374 HydrophobicContact CB-CG 4.06Å; C365-C402 HydrophobicContact CB-CB 3.95Å; C365-C402 WeakPolarHBondContact CB-SG 3.36Å; C365-C402 WeakPolarHBondContact SG-CB 3.47Å; C365-C402 CovalentContact SG-SG 2.03Å; C365-C402 PolarHBondContact SG-SG 2.91Å; C365-N403 PolarHBondContact SG-ND2 2.86Å; C365-N403 VanDerWaalsContact SG-ND2 3.43Å | ||
| 366 | S | 89.7 | Confident | 83.9 | Confident | 37 Ų | 37 | 53 Ų | 53 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -70.1 | -11.2 | -177 | 59 | 0 | 0 | 0 | 0 | 115.3 | V373 V471 D472 | S366-V373 PolarHBondContact N-O 3.43Å; S366-V373 VanDerWaalsContact N-O 3.16Å; S366-V373 PolarHBondContact OG-N 2.97Å; S366-V373 PolarHBondContact OG-O 2.56Å; S366-V471 WeakPolarHBondContact O-CG1 3.32Å; S366-D472 WeakPolarHBondContact CB-O 3.34Å; S366-D472 PolarHBondContact OG-O 3.01Å |
| 367 | R | 84.6 | Confident | 83.9 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | trans | -143.8 | 153.4 | 177.5 | -67.8 | 176.3 | 55.8 | -155.4 | -8.7 | 110.6 | C365 C369 G370 G371 N403 F414 G473 | C365-R367 PolarHBondContact O-N 3.09Å; C365-R367 PolarHBondContact SG-O 2.87Å; R367-C369 VanDerWaalsContact CZ-O 3.27Å; R367-C369 PolarHBondContact NE-O 3.39Å; R367-C369 PolarHBondContact NH2-O 2.69Å; R367-G370 PolarHBondContact NH1-O 3.36Å; R367-G370 VanDerWaalsContact NH2-CA 3.29Å; R367-G370 PolarHBondContact NH2-O 3.14Å; R367-G371 WeakPolarHBondContact CD-O 3.36Å; R367-G371 PolarHBondContact NH1-O 3.31Å; R367-N403 PolarHBondContact O-ND2 3.44Å; R367-F414 HydrophobicContact CB-CE1 4.16Å; R367-F414 HydrophobicContact CG-CD1 3.92Å; R367-F414 HydrophobicContact CG-CE1 3.92Å; R367-F414 VanDerWaalsContact NH2-CD2 3.33Å; R367-G473 PolarHBondContact NH1-O 2.8Å | ||
| 368 | T | 82.2 | Confident | 84.1 | Confident | 121 Ų | 121 | 54.6 Ų | 54.6 | 74% | 0.742 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -88.8 | -26.6 | 177.5 | 44.5 | 0 | 0 | 0 | 0 | 113.8 | N403 | T368-N403 WeakPolarHBondContact O-CB 3.3Š|
| 369 | C | 85.7 | Confident | 84 | Confident | 30 Ų | 30 | 50 Ų | 50 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -147.6 | 164.6 | 174.7 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | R367 N403 C407 | R367-C369 VanDerWaalsContact CZ-O 3.27Å; R367-C369 PolarHBondContact NE-O 3.39Å; R367-C369 PolarHBondContact NH2-O 2.69Å; C369-N403 CarbonylContact C-O 2.9Å; C369-C407 HydrophobicContact CB-CB 4.07Å; C369-C407 WeakPolarHBondContact CB-SG 3.37Å; C369-C407 PolarHBondContact O-SG 3.13Å; C369-C407 WeakPolarHBondContact SG-CB 3.5Å; C369-C407 CovalentContact SG-SG 2.04Å; C369-C407 PolarHBondContact SG-SG 2.86Å |
| 370 | G | 77.7 | Confident | 84.1 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 69.9 | 25.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R367 N403 K405 N496 | R367-G370 PolarHBondContact NH1-O 3.36Å; R367-G370 VanDerWaalsContact NH2-CA 3.29Å; R367-G370 PolarHBondContact NH2-O 3.14Å; G370-N403 PolarHBondContact N-O 2.98Å; G370-K405 WeakPolarHBondContact CA-O 3.33Å; G370-K405 PolarHBondContact N-O 3.19Å; G370-N496 PolarHBondContact O-OD1 3.27Å |
| 371 | G | 83.8 | Confident | 84 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | 95.2 | 87.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R367 N403 G473 | R367-G371 WeakPolarHBondContact CD-O 3.36Å; R367-G371 PolarHBondContact NH1-O 3.31Å; G371-N403 PolarHBondContact N-O 3.17Å; G371-G473 WeakPolarHBondContact O-CA 3.14Å | ||
| 372 | G | 88.4 | Confident | 84 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 178.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S401 C402 | G372-S401 CarbonylContact O-C 3.56Å; G372-S401 WeakPolarHBondContact O-CA 3.27Å; G372-C402 PolarHBondContact N-O 3.42Å; G372-C402 PolarHBondContact O-N 2.92Å; G372-C402 PolarHBondContact O-SG 3.35Å |
| 373 | V | 88.9 | Confident | 83.9 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.1 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | S366 H399 R400 C402 D472 I483 V485 | S366-V373 PolarHBondContact N-O 3.43Å; S366-V373 VanDerWaalsContact N-O 3.16Å; S366-V373 PolarHBondContact OG-N 2.97Å; S366-V373 PolarHBondContact OG-O 2.56Å; V373-H399 HydrophobicContact CG1-CB 3.96Å; V373-R400 CarbonylContact C-O 3.48Å; V373-R400 WeakPolarHBondContact CA-O 3.27Å; V373-C402 PolarHBondContact N-SG 2.76Å; V373-C402 VanDerWaalsContact N-SG 3.38Å; V373-D472 HydrophobicContact CB-CB 4.28Å; V373-I483 HydrophobicContact CG2-CD1 4.38Å; V373-V485 HydrophobicContact CG1-CG1 4.35Å; V373-V485 HydrophobicContact CG2-CG2 4.21Å |
| 374 | K | 87.4 | Confident | 83.6 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 140.5 | 162.9 | -74.8 | -174.2 | 170.6 | -120.1 | 0 | 109.2 | W362 S363 E364 C365 H399 R400 C402 | W362-K374 HydrophobicContact CB-CB 4.39Å; W362-K374 HydrophobicContact CB-CD 4.39Å; W362-K374 HydrophobicContact CE3-CB 4.1Å; W362-K374 WeakPolarHBondContact CZ3-O 3.42Å; S363-K374 WeakPolarHBondContact O-CD 3.26Å; S363-K374 VanDerWaalsContact O-CE 3.25Å; S363-K374 WeakPolarHBondContact O-CE 3.48Å; S363-K374 WeakPolarHBondContact O-CG 3.3Å; S363-K374 PolarHBondContact O-NZ 2.93Å; E364-K374 IonicContact OE1-NZ 2.72Å; E364-K374 PolarHBondContact OE1-NZ 2.04Å; E364-K374 IonicContact OE2-NZ 2.68Å; E364-K374 PolarHBondContact OE2-NZ 3.04Å; C365-K374 HydrophobicContact CB-CG 4.06Å; K374-H399 WeakPolarHBondContact O-CA 3.21Å; K374-R400 HydrophobicContact CB-CG 4.2Å; K374-R400 PolarHBondContact N-O 2.83Å; K374-R400 PolarHBondContact O-N 2.03Å; K374-C402 HydrophobicContact CG-CB 4.26Å |
| 375 | K | 83.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 41.7 Ų | 41.7 | 47% | 0.474 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.6 | 175.2 | 60 | -178.8 | 176.1 | -171.8 | 0 | 111 | W362 S363 V397 R398 | W362-K375 WeakPolarHBondContact CA-O 3.46Å; S363-K375 PolarHBondContact N-O 2.83Å; S363-K375 WeakPolarHBondContact OG-CG 3.4Å; S363-K375 PolarHBondContact OG-N 3.08Å; K375-V397 HydrophobicContact CB-CG1 4.18Å; K375-R398 WeakPolarHBondContact CA-O 3.43Å |
| 376 | A | 83.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | W359 K360 W362 V397 R398 | W359-A376 HydrophobicContact CE3-CB 4.36Å; W359-A376 WeakPolarHBondContact CZ3-O 3.42Å; K360-A376 WeakPolarHBondContact O-CB 3.26Å; W362-A376 HydrophobicContact CD2-CB 3.67Å; W362-A376 HydrophobicContact CE3-CB 3.52Å; W362-A376 HydrophobicContact CG-CB 4.26Å; W362-A376 HydrophobicContact CH2-CB 4.23Å; W362-A376 HydrophobicContact CZ2-CB 4.33Å; W362-A376 HydrophobicContact CZ3-CB 3.81Å; A376-V397 WeakPolarHBondContact O-CA 3.44Å; A376-R398 HydrophobicContact CB-CG 3.88Å; A376-R398 PolarHBondContact N-O 2.92Å; A376-R398 PolarHBondContact O-N 3.48Å |
| 377 | T | 80.5 | Confident | 81.9 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.9 | -168.4 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | K360 R396 V397 | K360-T377 VanDerWaalsContact CB-O 3.24Å; K360-T377 WeakPolarHBondContact CB-O 3.5Å; K360-T377 WeakPolarHBondContact CG-O 3.37Å; K360-T377 PolarHBondContact N-O 2.85Å; T377-R396 WeakPolarHBondContact CA-O 3.45Å; T377-V397 HydrophobicContact CG2-CG1 4.12Å; T377-V397 HydrophobicContact CG2-CG2 3.96Å |
| 378 | R | 84.6 | Confident | 81.1 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | trans | -138.1 | 152.9 | 173.7 | 63.9 | -180 | 178.7 | 161.7 | 3.3 | 111.4 | W356 W359 E395 R396 | W356-R378 HydrophobicContact CD2-CG 4.46Å; W356-R378 HydrophobicContact CE3-CG 3.95Å; W356-R378 VanDerWaalsContact CG-NH1 3.32Å; W359-R378 HydrophobicContact CD2-CB 4.17Å; W359-R378 HydrophobicContact CD2-CG 4.11Å; W359-R378 HydrophobicContact CE3-CB 3.93Å; W359-R378 HydrophobicContact CE3-CG 3.87Å; W359-R378 HydrophobicContact CH2-CG 4Å; W359-R378 HydrophobicContact CZ2-CG 4.23Å; W359-R378 HydrophobicContact CZ3-CB 4.31Å; W359-R378 HydrophobicContact CZ3-CG 3.8Å; R378-E395 VanDerWaalsContact CZ-O 3.29Å; R378-E395 PolarHBondContact NE-O 3.25Å; R378-E395 PolarHBondContact NH2-O 3.18Å; R378-R396 PolarHBondContact N-O 2.83Å; R378-R396 VanDerWaalsContact N-O 3.09Å | ||
| 379 | E | 81.5 | Confident | 80.8 | Confident | 51 Ų | 51 | 36.9 Ų | 36.9 | 24% | 0.238 | 20% | 0.195 | C | C | . | . | trans | -108.1 | 167.6 | 178.6 | -46.8 | -48.4 | 158 | 0 | 0 | 112 | G357 K360 D381 R396 | G357-E379 PolarHBondContact N-O 3.25Å; K360-E379 IonicContact NZ-OE1 2.66Å; K360-E379 PolarHBondContact NZ-OE1 3.33Å; E379-D381 PolarHBondContact O-N 3.01Å; E379-R396 IonicContact OE2-CZ 3.06Å; E379-R396 IonicContact OE2-NH2 2.74Å; E379-R396 PolarHBondContact OE2-NH2 2.8Å | ||
| 380 | C | 81.7 | Confident | 80.6 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -95.8 | 74.9 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | W356 R384 P385 Y391 C392 | W356-C380 HydrophobicContact CE3-CB 4.31Å; W356-C380 HydrophobicContact CZ3-CB 4.02Å; C380-R384 WeakPolarHBondContact O-CA 3.11Å; C380-P385 WeakPolarHBondContact O-CD 3.4Å; C380-Y391 HydrophobicContact CB-CD1 4.37Å; C380-Y391 HydrophobicContact CB-CD2 4.35Å; C380-Y391 HydrophobicContact CB-CE1 3.76Å; C380-Y391 HydrophobicContact CB-CE2 3.71Å; C380-C392 VanDerWaalsContact CA-SG 3.51Å; C380-C392 HydrophobicContact CB-CB 3.7Å; C380-C392 WeakPolarHBondContact CB-SG 3.03Å; C380-C392 WeakPolarHBondContact SG-CB 3.32Å; C380-C392 PolarHBondContact SG-N 3.32Å; C380-C392 CovalentContact SG-SG 2.03Å; C380-C392 PolarHBondContact SG-SG 3.35Å |
| 381 | D | 80.5 | Confident | 81 | Confident | 78 Ų | 78 | 40.4 Ų | 40.4 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | trans | -136.3 | 4.8 | -168.3 | 63.2 | -11 | 0 | 0 | 0 | 115.9 | A355 G357 E379 P383 R384 | A355-D381 PolarHBondContact O-N 2.83Å; G357-D381 WeakPolarHBondContact CA-OD1 3.46Å; E379-D381 PolarHBondContact O-N 3.01Å; D381-P383 CarbonylContact C-O 3.45Å; D381-P383 CarbonylContact O-C 3.44Å; D381-R384 VanDerWaalsContact C-N 3.29Å; D381-R384 PolarHBondContact O-N 2.76Å | ||
| 382 | N | 79.4 | Confident | 81 | Confident | 101 Ų | 101 | 40.7 Ų | 40.7 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 65.9 | -175.8 | -170.9 | 29.6 | 0 | 0 | 0 | 114.4 | A355 | A355-N382 WeakPolarHBondContact CB-O 3.42Å; A355-N382 CarbonylContact O-C 3.6Å; A355-N382 PolarHBondContact O-N 2.85Å |
| 383 | P | 79.8 | Confident | 80.6 | Confident | 63 Ų | 63 | 43.7 Ų | 43.7 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -83.5 | 165.7 | 1.6 | 34.8 | -36.2 | 0 | 0 | 0 | 112.5 | V352 G354 A355 D381 | V352-P383 HydrophobicContact CG1-CB 4.35Å; V352-P383 HydrophobicContact CG1-CG 3.87Å; G354-P383 VanDerWaalsContact CA-O 3.23Å; G354-P383 WeakPolarHBondContact CA-O 3.5Å; A355-P383 PolarHBondContact N-O 3.3Å; D381-P383 CarbonylContact C-O 3.45Å; D381-P383 CarbonylContact O-C 3.44Å |
| 384 | R | 77.7 | Confident | 80.1 | Confident | 104 Ų | 104 | 43.7 Ų | 43.7 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -75.7 | 140.6 | 168.7 | -168.1 | 175.7 | -171.3 | -166.6 | 1.9 | 109.5 | P75 C380 D381 S386 | P75-R384 HydrophobicContact CB-CG 4.3Å; P75-R384 PolarHBondContact O-NH2 3.21Å; C380-R384 WeakPolarHBondContact O-CA 3.11Å; D381-R384 VanDerWaalsContact C-N 3.29Å; D381-R384 PolarHBondContact O-N 2.76Å; R384-S386 PolarHBondContact O-N 3.15Å |
| 385 | P | 83 | Confident | 79.3 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 138.6 | 175.6 | -18.5 | 25.6 | 0 | 0 | 0 | 111.5 | P75 V352 C380 K390 Y391 | P75-P385 HydrophobicContact CB-CB 4.25Å; P75-P385 HydrophobicContact CB-CG 4.41Å; P75-P385 WeakPolarHBondContact CG-O 3.07Å; V352-P385 VanDerWaalsContact O-CA 3.3Å; V352-P385 WeakPolarHBondContact O-CA 3.2Å; C380-P385 WeakPolarHBondContact O-CD 3.4Å; P385-K390 WeakPolarHBondContact CB-O 3.28Å; P385-K390 WeakPolarHBondContact CG-O 3.48Å; P385-Y391 HydrophobicContact CG-CD2 3.81Å; P385-Y391 HydrophobicContact CG-CE2 4.44Å; P385-Y391 HydrophobicContact CG-CG 4.43Å |
| 386 | S | 75.9 | Confident | 78.8 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -148.8 | 163.3 | 175.9 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | V352 R384 G388 G389 | V352-S386 PolarHBondContact N-O 2.95Å; V352-S386 PolarHBondContact O-N 3.36Å; R384-S386 PolarHBondContact O-N 3.15Å; S386-G388 PolarHBondContact O-N 2.84Å; S386-G388 VanDerWaalsContact O-N 3.15Å; S386-G389 PolarHBondContact O-N 2.97Å |
| 387 | N | 69.7 | Low | 78.5 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.1 | 176.7 | -52.8 | -17.1 | 0 | 0 | 0 | 114.1 | Y337 A347 L350 | Y337-N387 PolarHBondContact OH-OD1 2.83Å; A347-N387 PolarHBondContact O-ND2 2.81Å; A347-N387 VanDerWaalsContact O-ND2 3.07Å; L350-N387 VanDerWaalsContact O-CB 3.26Å; L350-N387 WeakPolarHBondContact O-CB 3.08Å; L350-N387 PolarHBondContact O-ND2 3.14Å |
| 388 | G | 67.4 | Low | 78.6 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 9.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R73 S386 | R73-G388 WeakPolarHBondContact CD-O 3.45Å; S386-G388 PolarHBondContact O-N 2.84Å; S386-G388 VanDerWaalsContact O-N 3.15Å |
| 389 | G | 77.1 | Confident | 78.6 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 157.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D353 S386 | D353-G389 WeakPolarHBondContact OD1-CA 3.41Å; S386-G389 PolarHBondContact O-N 2.97Å |
| 390 | K | 80.1 | Confident | 78.7 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 148.5 | -173.4 | -61.7 | -172.2 | 175.7 | -155.7 | 0 | 113.4 | E36 D353 G354 P385 | E36-K390 WeakPolarHBondContact OE1-CE 3.45Å; E36-K390 IonicContact OE1-NZ 2.73Å; E36-K390 PolarHBondContact OE1-NZ 3.49Å; E36-K390 IonicContact OE2-NZ 3.39Å; E36-K390 PolarHBondContact OE2-NZ 3.31Å; D353-K390 HydrophobicContact CB-CB 4.38Å; D353-K390 PolarHBondContact OD1-N 3.27Å; G354-K390 PolarHBondContact N-O 2.84Å; P385-K390 WeakPolarHBondContact CB-O 3.28Å; P385-K390 WeakPolarHBondContact CG-O 3.48Å |
| 391 | Y | 86 | Confident | 79 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 8% | 0.078 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 150.7 | 168.7 | -160.6 | -91.3 | 0 | 0 | 0 | 110.9 | E78 A79 C380 P385 V393 R396 | E78-Y391 HydrophobicContact CB-CE1 4.36Å; E78-Y391 HydrophobicContact CB-CE2 4.23Å; E78-Y391 HydrophobicContact CG-CE2 4.49Å; E78-Y391 VanDerWaalsContact O-CE1 3.24Å; E78-Y391 WeakPolarHBondContact O-CE1 3.49Å; A79-Y391 WeakPolarHBondContact O-CB 3.45Å; C380-Y391 HydrophobicContact CB-CD1 4.37Å; C380-Y391 HydrophobicContact CB-CD2 4.35Å; C380-Y391 HydrophobicContact CB-CE1 3.76Å; C380-Y391 HydrophobicContact CB-CE2 3.71Å; P385-Y391 HydrophobicContact CG-CD2 3.81Å; P385-Y391 HydrophobicContact CG-CE2 4.44Å; P385-Y391 HydrophobicContact CG-CG 4.43Å; Y391-V393 PolarHBondContact O-N 2.98Å; Y391-R396 PolarHBondContact OH-NH2 2.04Å |
| 392 | C | 84.8 | Confident | 79.3 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 132.4 | -173.2 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | S34 G354 A355 W356 C380 | S34-C392 WeakPolarHBondContact CB-O 3.21Å; S34-C392 PolarHBondContact OG-O 2.03Å; G354-C392 PolarHBondContact O-SG 3.24Å; G354-C392 VanDerWaalsContact O-SG 3.34Å; A355-C392 VanDerWaalsContact CA-SG 3.52Å; A355-C392 PolarHBondContact N-SG 3.01Å; W356-C392 HydrophobicContact CD2-CB 3.65Å; W356-C392 HydrophobicContact CE3-CB 3.94Å; W356-C392 HydrophobicContact CG-CB 4.29Å; W356-C392 HydrophobicContact CH2-CB 3.53Å; W356-C392 HydrophobicContact CZ2-CB 3.29Å; W356-C392 VanDerWaalsContact CZ2-O 3.29Å; W356-C392 WeakPolarHBondContact CZ2-O 3.06Å; W356-C392 HydrophobicContact CZ3-CB 3.87Å; C380-C392 VanDerWaalsContact CA-SG 3.51Å; C380-C392 HydrophobicContact CB-CB 3.7Å; C380-C392 WeakPolarHBondContact CB-SG 3.03Å; C380-C392 WeakPolarHBondContact SG-CB 3.32Å; C380-C392 PolarHBondContact SG-N 3.32Å; C380-C392 CovalentContact SG-SG 2.03Å; C380-C392 PolarHBondContact SG-SG 3.35Å |
| 393 | V | 80.2 | Confident | 79.7 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 38% | 0.382 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -94.9 | 141 | 172.3 | 175 | 0 | 0 | 0 | 0 | 109.7 | Y33 S34 E36 W356 Y391 | Y33-V393 HydrophobicContact CE1-CG1 3.95Å; S34-V393 WeakPolarHBondContact O-CA 3.47Å; S34-V393 WeakPolarHBondContact O-CG1 3.39Å; E36-V393 HydrophobicContact CB-CG2 4.13Å; W356-V393 PolarHBondContact NE1-O 2.92Å; Y391-V393 PolarHBondContact O-N 2.98Å |
| 394 | G | 77.7 | Confident | 79.9 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.4 | -179.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S34 R396 | S34-G394 PolarHBondContact N-O 3.3Å; S34-G394 PolarHBondContact O-N 2.87Å; G394-R396 PolarHBondContact O-N 3.15Å |
| 395 | E | 71.4 | Confident | 80 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 124.2 | -178.6 | -63.5 | -174.7 | -168.8 | 0 | 0 | 112.4 | K30 Y33 W359 R378 | K30-E395 HydrophobicContact CD-CG 4.48Å; K30-E395 WeakPolarHBondContact CD-OE1 3.36Å; K30-E395 WeakPolarHBondContact CE-OE1 3.44Å; K30-E395 IonicContact NZ-OE1 3.54Å; K30-E395 PolarHBondContact NZ-OE1 2.92Å; Y33-E395 HydrophobicContact CD2-CG 3.84Å; W359-E395 HydrophobicContact CH2-CB 4.33Å; R378-E395 VanDerWaalsContact CZ-O 3.29Å; R378-E395 PolarHBondContact NE-O 3.25Å; R378-E395 PolarHBondContact NH2-O 3.18Å |
| 396 | R | 73.3 | Confident | 79.8 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -93.5 | -28 | 173.3 | -67.9 | -166.8 | 70.5 | -176.6 | -5.3 | 113.9 | S32 E78 W356 W359 T377 R378 E379 Y391 G394 | S32-R396 PolarHBondContact O-N 2.03Å; E78-R396 PolarHBondContact O-NH1 3.41Å; E78-R396 IonicContact OE2-CZ 3.77Å; E78-R396 VanDerWaalsContact OE2-CZ 3.27Å; E78-R396 IonicContact OE2-NH1 3.68Å; E78-R396 PolarHBondContact OE2-NH1 2.82Å; E78-R396 IonicContact OE2-NH2 3.73Å; E78-R396 PolarHBondContact OE2-NH2 3.09Å; W356-R396 HydrophobicContact CH2-CG 3.33Å; W356-R396 HydrophobicContact CZ2-CG 4.22Å; W356-R396 HydrophobicContact CZ3-CG 3.71Å; W359-R396 WeakPolarHBondContact CZ3-O 3.38Å; T377-R396 WeakPolarHBondContact CA-O 3.45Å; R378-R396 PolarHBondContact N-O 2.83Å; R378-R396 VanDerWaalsContact N-O 3.09Å; E379-R396 IonicContact OE2-CZ 3.06Å; E379-R396 IonicContact OE2-NH2 2.74Å; E379-R396 PolarHBondContact OE2-NH2 2.8Å; Y391-R396 PolarHBondContact OH-NH2 2.04Å; G394-R396 PolarHBondContact O-N 3.15Å |
| 397 | V | 77 | Confident | 79.9 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 122 | -179.9 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | S32 K375 A376 T377 | S32-V397 VanDerWaalsContact OG-CB 3.29Å; S32-V397 WeakPolarHBondContact OG-CB 3.39Å; S32-V397 VanDerWaalsContact OG-CG2 3.3Å; S32-V397 WeakPolarHBondContact OG-CG2 3.27Å; S32-V397 PolarHBondContact OG-N 2.95Å; K375-V397 HydrophobicContact CB-CG1 4.18Å; A376-V397 WeakPolarHBondContact O-CA 3.44Å; T377-V397 HydrophobicContact CG2-CG1 4.12Å; T377-V397 HydrophobicContact CG2-CG2 3.96Å |
| 398 | R | 82.2 | Confident | 80.4 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 149.8 | 171.8 | 65.6 | 179 | -178.7 | 178.5 | -1.9 | 110.6 | W359 W362 K375 A376 | W359-R398 VanDerWaalsContact CB-NH2 3.34Å; W359-R398 HydrophobicContact CD2-CG 4.13Å; W359-R398 HydrophobicContact CE3-CG 3.77Å; W359-R398 VanDerWaalsContact CG-CZ 3.45Å; W359-R398 HydrophobicContact CH2-CB 3.85Å; W359-R398 HydrophobicContact CH2-CG 3.84Å; W359-R398 HydrophobicContact CZ2-CB 4.32Å; W359-R398 HydrophobicContact CZ2-CG 4.19Å; W359-R398 HydrophobicContact CZ3-CB 4.04Å; W359-R398 HydrophobicContact CZ3-CG 3.63Å; W362-R398 HydrophobicContact CH2-CB 4.42Å; W362-R398 HydrophobicContact CH2-CG 3.62Å; W362-R398 HydrophobicContact CZ2-CG 4.23Å; W362-R398 HydrophobicContact CZ3-CG 4.08Å; K375-R398 WeakPolarHBondContact CA-O 3.43Å; A376-R398 HydrophobicContact CB-CG 3.88Å; A376-R398 PolarHBondContact N-O 2.92Å; A376-R398 PolarHBondContact O-N 3.48Å |
| 399 | H | 85.1 | Confident | 80.1 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140.4 | -173.5 | -63.6 | 85.7 | 0 | 0 | 0 | 109.8 | V373 K374 V485 L498 | V373-H399 HydrophobicContact CG1-CB 3.96Å; K374-H399 WeakPolarHBondContact O-CA 3.21Å; H399-V485 HydrophobicContact CB-CG1 4.31Å; H399-V485 VanDerWaalsContact CD2-CG1 3.5Å; H399-V485 WeakPolarHBondContact CD2-CG1 3.32Å; H399-L498 HydrophobicContact CB-CD2 4.23Å |
| 400 | R | 83.1 | Confident | 79.6 | Confident | 119 Ų | 119 | 69.9 Ų | 69.9 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.9 | 172.4 | 72 | 178.5 | 174.6 | 158.6 | -0.7 | 111.9 | W362 V373 K374 | W362-R400 VanDerWaalsContact CD1-NH2 3.33Å; W362-R400 HydrophobicContact CD2-CG 4.2Å; W362-R400 VanDerWaalsContact CD2-NE 3.29Å; W362-R400 HydrophobicContact CE3-CG 3.79Å; W362-R400 HydrophobicContact CH2-CB 3.87Å; W362-R400 HydrophobicContact CH2-CG 3.78Å; W362-R400 HydrophobicContact CZ2-CG 4.2Å; W362-R400 HydrophobicContact CZ3-CB 3.97Å; W362-R400 HydrophobicContact CZ3-CG 3.57Å; V373-R400 CarbonylContact C-O 3.48Å; V373-R400 WeakPolarHBondContact CA-O 3.27Å; K374-R400 HydrophobicContact CB-CG 4.2Å; K374-R400 PolarHBondContact N-O 2.83Å; K374-R400 PolarHBondContact O-N 2.03Å |
| 401 | S | 87.8 | Confident | 79.1 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 150.7 | 172.6 | -37.3 | 0 | 0 | 0 | 0 | 111.6 | G372 L498 | G372-S401 CarbonylContact O-C 3.56Å; G372-S401 WeakPolarHBondContact O-CA 3.27Å; S401-L498 PolarHBondContact OG-N 3.34Å |
| 402 | C | 87.4 | Confident | 78.6 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 12% | 0.122 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 161.7 | 171.3 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | C365 G372 V373 K374 I404 | C365-C402 HydrophobicContact CB-CB 3.95Å; C365-C402 WeakPolarHBondContact CB-SG 3.36Å; C365-C402 WeakPolarHBondContact SG-CB 3.47Å; C365-C402 CovalentContact SG-SG 2.03Å; C365-C402 PolarHBondContact SG-SG 2.91Å; G372-C402 PolarHBondContact N-O 3.42Å; G372-C402 PolarHBondContact O-N 2.92Å; G372-C402 PolarHBondContact O-SG 3.35Å; V373-C402 PolarHBondContact N-SG 2.76Å; V373-C402 VanDerWaalsContact N-SG 3.38Å; K374-C402 HydrophobicContact CG-CB 4.26Å; C402-I404 VanDerWaalsContact C-N 3.34Å; C402-I404 PolarHBondContact O-N 3.42Å |
| 403 | N | 86.8 | Confident | 78.4 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | trans | 50 | 51.3 | 173 | -60.4 | -4.1 | 0 | 0 | 0 | 113.4 | C365 R367 T368 C369 G370 G371 | C365-N403 PolarHBondContact SG-ND2 2.86Å; C365-N403 VanDerWaalsContact SG-ND2 3.43Å; R367-N403 PolarHBondContact O-ND2 3.44Å; T368-N403 WeakPolarHBondContact O-CB 3.3Å; C369-N403 CarbonylContact C-O 2.9Å; G370-N403 PolarHBondContact N-O 2.98Å; G371-N403 PolarHBondContact N-O 3.17Å | ||
| 404 | I | 84.4 | Confident | 78.6 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | trans | -80.6 | -17.5 | -168.6 | 61.5 | 174.1 | 0 | 0 | 0 | 115.1 | C402 D406 N496 R497 | C402-I404 VanDerWaalsContact C-N 3.34Å; C402-I404 PolarHBondContact O-N 3.42Å; I404-D406 PolarHBondContact O-N 3.06Å; I404-N496 HydrophobicContact CB-CB 4.28Å; I404-N496 PolarHBondContact O-ND2 3.23Å; I404-R497 HydrophobicContact CD1-CG 4.23Å; I404-R497 HydrophobicContact CG2-CG 4.16Å | ||
| 405 | K | 79.6 | Confident | 79.1 | Confident | 185 Ų | 185 | 71.9 Ų | 71.9 | 80% | 0.804 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -57.3 | 134.5 | 173.6 | -69.1 | -167.1 | 173.6 | -164.2 | 0 | 109.2 | G370 | G370-K405 WeakPolarHBondContact CA-O 3.33Å; G370-K405 PolarHBondContact N-O 3.19Å |
| 406 | D | 79.5 | Confident | 79.8 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -59 | 159 | 179.3 | -83.3 | -36.8 | 0 | 0 | 0 | 112.6 | I404 N496 | I404-D406 PolarHBondContact O-N 3.06Å; D406-N496 PolarHBondContact OD1-ND2 3.2Å |
| 407 | C | 78.4 | Confident | 80.5 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 157.6 | 176 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | C369 S411 F414 | C369-C407 HydrophobicContact CB-CB 4.07Å; C369-C407 WeakPolarHBondContact CB-SG 3.37Å; C369-C407 PolarHBondContact O-SG 3.13Å; C369-C407 WeakPolarHBondContact SG-CB 3.5Å; C369-C407 CovalentContact SG-SG 2.04Å; C369-C407 PolarHBondContact SG-SG 2.86Å; C407-S411 WeakPolarHBondContact CB-OG 3.49Å; C407-F414 VanDerWaalsContact SG-CE2 3.58Å |
| 408 | P | 78.3 | Confident | 81.3 | Confident | 100 Ų | 100 | 72 Ų | 72 | 65% | 0.649 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 153 | 174.8 | -26.1 | 35.4 | 0 | 0 | 0 | 113.2 | D410 S411 | P408-D410 VanDerWaalsContact C-N 3.34Å; P408-D410 PolarHBondContact O-N 2.99Å; P408-S411 WeakPolarHBondContact O-CB 3.21Å; P408-S411 PolarHBondContact O-N 3.12Å; P408-S411 PolarHBondContact O-OG 3.49Å |
| 409 | I | 62.6 | Low | 81.7 | Confident | 142 Ų | 142 | 68 Ų | 68 | 73% | 0.728 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -42 | -170.7 | -59.9 | 175.2 | 0 | 0 | 0 | 112.2 | S411 M612 | I409-S411 PolarHBondContact O-N 2.93Å; I409-M612 HydrophobicContact CD1-CE 4.29Å |
| 410 | D | 65.2 | Low | 81.8 | Confident | 162 Ų | 162 | 67.5 Ų | 67.5 | 87% | 0.866 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 3.6 | 177 | -68.5 | -41.7 | 0 | 0 | 0 | 114.7 | P408 V412 | P408-D410 VanDerWaalsContact C-N 3.34Å; P408-D410 PolarHBondContact O-N 2.99Å; D410-V412 PolarHBondContact O-N 2.83Å |
| 411 | S | 70.7 | Confident | 82 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 120.8 | -176.8 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | C407 P408 I409 G413 | C407-S411 WeakPolarHBondContact CB-OG 3.49Å; P408-S411 WeakPolarHBondContact O-CB 3.21Å; P408-S411 PolarHBondContact O-N 3.12Å; P408-S411 PolarHBondContact O-OG 3.49Å; I409-S411 PolarHBondContact O-N 2.93Å; S411-G413 PolarHBondContact O-N 2.85Å |
| 412 | V | 75.8 | Confident | 82 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 125.8 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | D410 E416 L417 | D410-V412 PolarHBondContact O-N 2.83Å; V412-E416 HydrophobicContact CG1-CB 3.85Å; V412-L417 HydrophobicContact CB-CD2 4.02Å; V412-L417 HydrophobicContact CB-CG 4.24Å; V412-L417 HydrophobicContact CG1-CD2 3.9Å; V412-L417 HydrophobicContact CG1-CG 4.02Å |
| 413 | G | 79.8 | Confident | 81.9 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 141.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S411 R415 E416 L417 | S411-G413 PolarHBondContact O-N 2.85Å; G413-R415 PolarHBondContact O-N 3.08Å; G413-R415 VanDerWaalsContact O-N 3.11Å; G413-E416 WeakPolarHBondContact CA-OE2 3.34Å; G413-E416 WeakPolarHBondContact O-CA 3.35Å; G413-E416 VanDerWaalsContact O-CB 3.3Å; G413-E416 WeakPolarHBondContact O-CB 3.45Å; G413-E416 PolarHBondContact O-N 2.91Å; G413-L417 PolarHBondContact O-N 3.15Å |
| 414 | F | 84 | Confident | 81.5 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.9 | -26.9 | -172.2 | -72.4 | -97.8 | 0 | 0 | 0 | 113.4 | R367 C407 Q418 T474 | R367-F414 HydrophobicContact CB-CE1 4.16Å; R367-F414 HydrophobicContact CG-CD1 3.92Å; R367-F414 HydrophobicContact CG-CE1 3.92Å; R367-F414 VanDerWaalsContact NH2-CD2 3.33Å; C407-F414 VanDerWaalsContact SG-CE2 3.58Å; F414-Q418 VanDerWaalsContact O-CG 3.28Å; F414-Q418 WeakPolarHBondContact O-CG 3.48Å; F414-Q418 PolarHBondContact O-N 3.12Å; F414-Q418 PolarHBondContact O-NE2 2.85Å; F414-T474 HydrophobicContact CB-CG2 4.4Å |
| 415 | R | 88.8 | Confident | 81 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 3% | 0.03 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -80.7 | -36 | 175.6 | -164.3 | 177.8 | -64.4 | -148.5 | -9.6 | 111.7 | G413 L417 Q418 C419 P440 R450 L453 V470 T474 P475 C476 | G413-R415 PolarHBondContact O-N 3.08Å; G413-R415 VanDerWaalsContact O-N 3.11Å; R415-L417 VanDerWaalsContact C-N 3.33Å; R415-Q418 PolarHBondContact O-N 3.21Å; R415-C419 PolarHBondContact O-N 3.42Å; R415-P440 HydrophobicContact CB-CG 4.1Å; R415-P440 HydrophobicContact CG-CB 4Å; R415-P440 HydrophobicContact CG-CG 3.88Å; R415-R450 PolarHBondContact NH1-O 3.15Å; R415-R450 PolarHBondContact NH2-O 2.7Å; R415-L453 HydrophobicContact CG-CD1 3.89Å; R415-V470 HydrophobicContact CG-CG1 4.45Å; R415-T474 HydrophobicContact CB-CG2 3.94Å; R415-P475 PolarHBondContact NH2-O 3.42Å; R415-C476 PolarHBondContact NH1-O 3.06Å; R415-C476 PolarHBondContact NH2-O 3.45Å; R415-C476 VanDerWaalsContact NH2-O 3.13Å |
| 416 | E | 86.6 | Confident | 80.6 | Confident | 35 Ų | 35 | 66 Ų | 66 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 172.4 | -69.1 | 63 | -157.8 | 0 | 0 | 110.2 | V412 G413 C419 A420 P440 Y442 R478 | V412-E416 HydrophobicContact CG1-CB 3.85Å; G413-E416 WeakPolarHBondContact CA-OE2 3.34Å; G413-E416 WeakPolarHBondContact O-CA 3.35Å; G413-E416 VanDerWaalsContact O-CB 3.3Å; G413-E416 WeakPolarHBondContact O-CB 3.45Å; G413-E416 PolarHBondContact O-N 2.91Å; E416-C419 PolarHBondContact O-N 3.22Å; E416-A420 VanDerWaalsContact O-CB 3.28Å; E416-A420 WeakPolarHBondContact O-CB 3.24Å; E416-A420 PolarHBondContact O-N 3.4Å; E416-P440 HydrophobicContact CB-CG 4.25Å; E416-P440 HydrophobicContact CG-CG 3.81Å; E416-Y442 WeakPolarHBondContact OE1-CE2 3.38Å; E416-Y442 PolarHBondContact OE1-OH 3.32Å; E416-Y442 PolarHBondContact OE2-OH 2.98Å; E416-R478 IonicContact OE1-NE 3.66Å; E416-R478 IonicContact OE1-NH2 3.75Å |
| 417 | L | 87.8 | Confident | 80 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 170.4 | -67.7 | 175.3 | 0 | 0 | 0 | 112.6 | V412 G413 R415 C419 A420 E421 | V412-L417 HydrophobicContact CB-CD2 4.02Å; V412-L417 HydrophobicContact CB-CG 4.24Å; V412-L417 HydrophobicContact CG1-CD2 3.9Å; V412-L417 HydrophobicContact CG1-CG 4.02Å; G413-L417 PolarHBondContact O-N 3.15Å; R415-L417 VanDerWaalsContact C-N 3.33Å; L417-C419 VanDerWaalsContact C-N 3.34Å; L417-C419 PolarHBondContact O-N 3.3Å; L417-A420 PolarHBondContact O-N 2.97Å; L417-A420 VanDerWaalsContact O-N 3.12Å; L417-E421 PolarHBondContact O-N 3.4Å |
| 418 | Q | 92.6 | Very high | 79.4 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 7% | 0.07 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.9 | -32.9 | 178.3 | -75.7 | 166.9 | 79 | 0 | 0 | 113.3 | F414 R415 E421 F422 L453 V471 T474 | F414-Q418 VanDerWaalsContact O-CG 3.28Å; F414-Q418 WeakPolarHBondContact O-CG 3.48Å; F414-Q418 PolarHBondContact O-N 3.12Å; F414-Q418 PolarHBondContact O-NE2 2.85Å; R415-Q418 PolarHBondContact O-N 3.21Å; Q418-E421 WeakPolarHBondContact O-CB 3.41Å; Q418-F422 WeakPolarHBondContact O-CD2 3.48Å; Q418-L453 HydrophobicContact CB-CD1 3.67Å; Q418-L453 HydrophobicContact CB-CD2 4.01Å; Q418-V471 HydrophobicContact CG-CG2 4.37Å; Q418-T474 PolarHBondContact NE2-OG1 3.36Å |
| 419 | C | 90.5 | Very high | 78.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.3 | -41.6 | 168.7 | -74.8 | 0 | 0 | 0 | 0 | 111.4 | R415 E416 L417 E421 F422 W438 P440 C455 | R415-C419 PolarHBondContact O-N 3.42Å; E416-C419 PolarHBondContact O-N 3.22Å; L417-C419 VanDerWaalsContact C-N 3.34Å; L417-C419 PolarHBondContact O-N 3.3Å; C419-E421 PolarHBondContact O-N 3.32Å; C419-F422 PolarHBondContact O-N 2.92Å; C419-W438 HydrophobicContact CB-CB 4.06Å; C419-W438 WeakPolarHBondContact O-CB 3.46Å; C419-P440 HydrophobicContact CB-CG 4.36Å; C419-C455 WeakPolarHBondContact CA-SG 3.49Å; C419-C455 HydrophobicContact CB-CB 3.94Å; C419-C455 WeakPolarHBondContact CB-SG 2.97Å; C419-C455 WeakPolarHBondContact SG-CB 3.43Å; C419-C455 CovalentContact SG-SG 2.04Å; C419-C455 PolarHBondContact SG-SG 3.07Å |
| 420 | A | 87.9 | Confident | 78.5 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.5 | -25.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | E416 L417 F422 N423 | E416-A420 VanDerWaalsContact O-CB 3.28Å; E416-A420 WeakPolarHBondContact O-CB 3.24Å; E416-A420 PolarHBondContact O-N 3.4Å; L417-A420 PolarHBondContact O-N 2.97Å; L417-A420 VanDerWaalsContact O-N 3.12Å; A420-F422 PolarHBondContact O-N 3Å; A420-F422 VanDerWaalsContact O-N 3.07Å; A420-N423 WeakPolarHBondContact CA-ND2 3.35Å; A420-N423 VanDerWaalsContact O-CB 3.28Å; A420-N423 WeakPolarHBondContact O-CB 3.48Å; A420-N423 PolarHBondContact O-N 3.49Å |
| 421 | E | 87.7 | Confident | 78.6 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 39% | 0.393 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -27.1 | 168.9 | -164.8 | -166.8 | 138.4 | 0 | 0 | 112.9 | L417 Q418 C419 K425 K467 | L417-E421 PolarHBondContact O-N 3.4Å; Q418-E421 WeakPolarHBondContact O-CB 3.41Å; C419-E421 PolarHBondContact O-N 3.32Å; E421-K425 VanDerWaalsContact O-CD 3.24Å; E421-K425 WeakPolarHBondContact O-CD 3.4Å; E421-K425 WeakPolarHBondContact O-CE 3.31Å; E421-K425 PolarHBondContact O-NZ 3.06Å; E421-K467 IonicContact OE1-NZ 2.81Å; E421-K467 PolarHBondContact OE1-NZ 2.88Å; E421-K467 IonicContact OE2-NZ 3.92Å; E421-K467 PolarHBondContact OE2-NZ 3.39Å |
| 422 | F | 87.8 | Confident | 78.4 | Confident | 35 Ų | 35 | 63 Ų | 63 | 15% | 0.154 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -1.7 | 179 | -65.4 | -87 | 0 | 0 | 0 | 114.3 | Q418 C419 A420 G424 K425 V427 W438 L453 L466 K467 | Q418-F422 WeakPolarHBondContact O-CD2 3.48Å; C419-F422 PolarHBondContact O-N 2.92Å; A420-F422 PolarHBondContact O-N 3Å; A420-F422 VanDerWaalsContact O-N 3.07Å; F422-G424 PolarHBondContact O-N 3.13Å; F422-K425 PolarHBondContact O-N 2.94Å; F422-K425 VanDerWaalsContact O-N 3.14Å; F422-V427 HydrophobicContact CB-CG1 4.31Å; F422-V427 HydrophobicContact CD1-CG1 3.73Å; F422-V427 HydrophobicContact CE1-CG1 4.49Å; F422-V427 HydrophobicContact CG-CG1 4.38Å; F422-W438 VanDerWaalsContact C-CD1 3.45Å; F422-W438 HydrophobicContact CB-CG 4.35Å; F422-W438 PolarHBondContact O-NE1 3.42Å; F422-L453 HydrophobicContact CE2-CD2 3.87Å; F422-L466 HydrophobicContact CB-CD1 3.82Å; F422-L466 HydrophobicContact CD1-CD1 4.26Å; F422-L466 HydrophobicContact CD2-CB 4.05Å; F422-L466 HydrophobicContact CD2-CD1 3.68Å; F422-L466 HydrophobicContact CE1-CB 4.31Å; F422-L466 HydrophobicContact CE2-CB 3.74Å; F422-L466 HydrophobicContact CE2-CD1 4.26Å; F422-L466 HydrophobicContact CG-CB 4.45Å; F422-L466 HydrophobicContact CG-CD1 3.66Å; F422-L466 HydrophobicContact CZ-CB 3.87Å; F422-K467 HydrophobicContact CE2-CD 4.25Å; F422-K467 HydrophobicContact CE2-CG 4.07Å; F422-K467 HydrophobicContact CZ-CD 4.25Å; F422-K467 HydrophobicContact CZ-CG 3.85Å |
| 423 | N | 84.8 | Confident | 78 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 135.5 | 175.9 | -68.7 | -16.2 | 0 | 0 | 0 | 110 | A420 K425 V436 R437 W438 | A420-N423 WeakPolarHBondContact CA-ND2 3.35Å; A420-N423 VanDerWaalsContact O-CB 3.28Å; A420-N423 WeakPolarHBondContact O-CB 3.48Å; A420-N423 PolarHBondContact O-N 3.49Å; N423-K425 PolarHBondContact O-N 3.34Å; N423-K425 VanDerWaalsContact O-N 3.16Å; N423-V436 WeakPolarHBondContact CA-O 3.35Å; N423-R437 WeakPolarHBondContact OD1-CA 3.37Å; N423-W438 PolarHBondContact OD1-N 3.07Å |
| 424 | G | 78 | Confident | 77.4 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | -0.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F422 S434 V436 | F422-G424 PolarHBondContact O-N 3.13Å; G424-S434 CarbonylContact C-O 3.46Å; G424-S434 WeakPolarHBondContact CA-O 3.26Å; G424-V436 PolarHBondContact N-O 2.87Å |
| 425 | K | 75.3 | Confident | 77 | Confident | 107 Ų | 107 | 68.7 Ų | 68.7 | 47% | 0.465 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -106.8 | 132.2 | -173.5 | -63.6 | -176.5 | -169.1 | 162.7 | 0 | 111.9 | E421 F422 N423 V427 | E421-K425 VanDerWaalsContact O-CD 3.24Å; E421-K425 WeakPolarHBondContact O-CD 3.4Å; E421-K425 WeakPolarHBondContact O-CE 3.31Å; E421-K425 PolarHBondContact O-NZ 3.06Å; F422-K425 PolarHBondContact O-N 2.94Å; F422-K425 VanDerWaalsContact O-N 3.14Å; N423-K425 PolarHBondContact O-N 3.34Å; N423-K425 VanDerWaalsContact O-N 3.16Å; K425-V427 PolarHBondContact O-N 3.39Å |
| 426 | P | 71.7 | Confident | 76.6 | Confident | 121 Ų | 121 | 68.9 Ų | 68.9 | 79% | 0.786 | 42% | 0.415 | S | S | * | . | trans | -75.3 | 98.3 | -179.2 | 29.9 | -34.6 | 0 | 0 | 0 | 111.7 | G428 | P426-G428 PolarHBondContact O-N 3.1Š| ||
| 427 | V | 66.9 | Low | 76.5 | Confident | 45 Ų | 45 | 75.1 Ų | 75.1 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | trans | -71.3 | 8.4 | 179.5 | -65.1 | 0 | 0 | 0 | 0 | 115.3 | F422 K425 I429 W438 L466 | F422-V427 HydrophobicContact CB-CG1 4.31Å; F422-V427 HydrophobicContact CD1-CG1 3.73Å; F422-V427 HydrophobicContact CE1-CG1 4.49Å; F422-V427 HydrophobicContact CG-CG1 4.38Å; K425-V427 PolarHBondContact O-N 3.39Å; V427-I429 VanDerWaalsContact C-N 3.27Å; V427-I429 HydrophobicContact CG2-CB 4.24Å; V427-I429 HydrophobicContact CG2-CD1 3.8Å; V427-I429 HydrophobicContact CG2-CG1 3.95Å; V427-I429 PolarHBondContact O-N 3.35Å; V427-W438 HydrophobicContact CG1-CZ2 4.42Å; V427-W438 HydrophobicContact CG2-CZ2 3.82Å; V427-L466 HydrophobicContact CB-CD2 4.44Å; V427-L466 HydrophobicContact CG1-CD2 4.16Å | ||
| 428 | G | 65.5 | Low | 76.5 | Confident | 68 Ų | 68 | 71 Ų | 71 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 77.9 | 0.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | P426 | P426-G428 PolarHBondContact O-N 3.1Š|
| 429 | I | 64.9 | Low | 76.2 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 30% | 0.303 | 42% | 0.421 | S | S | . | . | trans | -85.8 | 125.4 | 177.3 | -54.9 | 170.8 | 0 | 0 | 0 | 109.1 | V427 I432 Y464 | V427-I429 VanDerWaalsContact C-N 3.27Å; V427-I429 HydrophobicContact CG2-CB 4.24Å; V427-I429 HydrophobicContact CG2-CD1 3.8Å; V427-I429 HydrophobicContact CG2-CG1 3.95Å; V427-I429 PolarHBondContact O-N 3.35Å; I429-I432 HydrophobicContact CB-CD1 3.79Å; I429-I432 HydrophobicContact CB-CG1 4.31Å; I429-I432 HydrophobicContact CD1-CD1 4.07Å; I429-I432 HydrophobicContact CG2-CD1 3.71Å; I429-I432 HydrophobicContact CG2-CG1 4.07Å; I429-Y464 HydrophobicContact CD1-CD1 3.62Å; I429-Y464 HydrophobicContact CD1-CD2 4.27Å; I429-Y464 HydrophobicContact CD1-CE1 4.1Å; I429-Y464 HydrophobicContact CD1-CG 3.7Å; I429-Y464 HydrophobicContact CG2-CE1 4.07Å | ||
| 430 | Y | 56.9 | Low | 76.1 | Confident | 228 Ų | 228 | 72.2 Ų | 72.2 | 89% | 0.894 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 147 | 178.6 | -70.2 | -85 | 0 | 0 | 0 | 111.9 | I432 | Y430-I432 VanDerWaalsContact C-N 3.3Å; Y430-I432 PolarHBondContact O-N 3.41Å |
| 431 | G | 67.2 | Low | 75.8 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 90% | 0.897 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -13.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 432 | I | 65.9 | Low | 75.3 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 19% | 0.185 | 40% | 0.404 | C | S | . | . | trans | -84.1 | 130.9 | 174.1 | -54.4 | -174.7 | 0 | 0 | 0 | 109.6 | I429 Y430 V436 W438 I457 Y464 | I429-I432 HydrophobicContact CB-CD1 3.79Å; I429-I432 HydrophobicContact CB-CG1 4.31Å; I429-I432 HydrophobicContact CD1-CD1 4.07Å; I429-I432 HydrophobicContact CG2-CD1 3.71Å; I429-I432 HydrophobicContact CG2-CG1 4.07Å; Y430-I432 VanDerWaalsContact C-N 3.3Å; Y430-I432 PolarHBondContact O-N 3.41Å; I432-V436 HydrophobicContact CG2-CB 3.67Å; I432-V436 HydrophobicContact CG2-CG1 3.81Å; I432-V436 HydrophobicContact CG2-CG2 3.76Å; I432-W438 HydrophobicContact CD1-CH2 3.83Å; I432-W438 HydrophobicContact CD1-CZ2 4.17Å; I432-I457 HydrophobicContact CD1-CD1 4.01Å; I432-I457 HydrophobicContact CG1-CD1 4.15Å; I432-I457 HydrophobicContact CG2-CD1 4.16Å; I432-Y464 HydrophobicContact CD1-CD2 4.24Å; I432-Y464 HydrophobicContact CD1-CE2 3.75Å | ||
| 433 | S | 68.3 | Low | 74.3 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | trans | -69.9 | 152.1 | 176 | -170.1 | 0 | 0 | 0 | 0 | 112 | D435 V436 | S433-D435 WeakPolarHBondContact CB-OD1 3.45Å; S433-D435 PolarHBondContact O-N 3.19Å; S433-D435 PolarHBondContact OG-OD1 2.96Å; S433-V436 WeakPolarHBondContact O-CB 3.41Å; S433-V436 WeakPolarHBondContact O-CG1 3.47Å; S433-V436 PolarHBondContact O-N 3.47Å | ||
| 434 | S | 66.7 | Low | 73.5 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 60% | 0.601 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22.4 | -178.1 | 50.7 | 0 | 0 | 0 | 0 | 114 | G424 V436 | G424-S434 CarbonylContact C-O 3.46Å; G424-S434 WeakPolarHBondContact CA-O 3.26Å; S434-V436 VanDerWaalsContact C-N 3.31Å |
| 435 | D | 76 | Confident | 73.1 | Confident | 125 Ų | 125 | 71.4 Ų | 71.4 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 16.4 | 178.3 | 61.6 | -21.2 | 0 | 0 | 0 | 113.8 | S433 R437 | S433-D435 WeakPolarHBondContact CB-OD1 3.45Å; S433-D435 PolarHBondContact O-N 3.19Å; S433-D435 PolarHBondContact OG-OD1 2.96Å; D435-R437 PolarHBondContact O-N 3.41Å |
| 436 | V | 79.3 | Confident | 72.7 | Confident | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.079 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 133.4 | 179.2 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | N423 G424 I432 S433 S434 W438 I457 | N423-V436 WeakPolarHBondContact CA-O 3.35Å; G424-V436 PolarHBondContact N-O 2.87Å; I432-V436 HydrophobicContact CG2-CB 3.67Å; I432-V436 HydrophobicContact CG2-CG1 3.81Å; I432-V436 HydrophobicContact CG2-CG2 3.76Å; S433-V436 WeakPolarHBondContact O-CB 3.41Å; S433-V436 WeakPolarHBondContact O-CG1 3.47Å; S433-V436 PolarHBondContact O-N 3.47Å; S434-V436 VanDerWaalsContact C-N 3.31Å; V436-W438 HydrophobicContact CG1-CZ2 4.2Å; V436-W438 HydrophobicContact CG2-CD2 4.23Å; V436-W438 HydrophobicContact CG2-CZ2 3.98Å; V436-I457 HydrophobicContact CG2-CB 4.36Å; V436-I457 HydrophobicContact CG2-CD1 4.22Å; V436-I457 HydrophobicContact CG2-CG1 3.83Å; V436-I457 HydrophobicContact CG2-CG2 3.89Å |
| 437 | R | 85.3 | Confident | 72.2 | Confident | 166 Ų | 166 | 69 Ų | 69 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -103.5 | 123.3 | 169.2 | -173.3 | 178.1 | 176.9 | -179.3 | 1.4 | 110.5 | N423 D435 V458 | N423-R437 WeakPolarHBondContact OD1-CA 3.37Å; D435-R437 PolarHBondContact O-N 3.41Å; R437-V458 HydrophobicContact CB-CB 4.46Å; R437-V458 HydrophobicContact CB-CG2 4.15Å; R437-V458 HydrophobicContact CG-CG2 3.83Å; R437-V458 PolarHBondContact O-N 3.44Å |
| 438 | W | 88.1 | Confident | 72 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 1% | 0.011 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140.9 | 179.3 | -63.5 | 103.1 | 0 | 0 | 0 | 111.5 | C419 F422 N423 V427 I432 V436 C455 R456 I457 Y464 L466 | C419-W438 HydrophobicContact CB-CB 4.06Å; C419-W438 WeakPolarHBondContact O-CB 3.46Å; F422-W438 VanDerWaalsContact C-CD1 3.45Å; F422-W438 HydrophobicContact CB-CG 4.35Å; F422-W438 PolarHBondContact O-NE1 3.42Å; N423-W438 PolarHBondContact OD1-N 3.07Å; V427-W438 HydrophobicContact CG1-CZ2 4.42Å; V427-W438 HydrophobicContact CG2-CZ2 3.82Å; I432-W438 HydrophobicContact CD1-CH2 3.83Å; I432-W438 HydrophobicContact CD1-CZ2 4.17Å; V436-W438 HydrophobicContact CG1-CZ2 4.2Å; V436-W438 HydrophobicContact CG2-CD2 4.23Å; V436-W438 HydrophobicContact CG2-CZ2 3.98Å; W438-C455 HydrophobicContact CB-CB 4.16Å; W438-C455 HydrophobicContact CD2-CB 4.25Å; W438-C455 HydrophobicContact CE3-CB 3.67Å; W438-C455 HydrophobicContact CG-CB 4.48Å; W438-C455 HydrophobicContact CZ3-CB 4.42Å; W438-R456 WeakPolarHBondContact CA-O 3.45Å; W438-I457 HydrophobicContact CE3-CG1 4.21Å; W438-I457 HydrophobicContact CH2-CD1 4.48Å; W438-I457 HydrophobicContact CH2-CG1 3.96Å; W438-I457 HydrophobicContact CZ3-CG1 3.72Å; W438-Y464 AromaticContact CH2-CD2 3.71Å; W438-Y464 HydrophobicContact CH2-CD2 3.71Å; W438-Y464 HydrophobicContact CH2-CE2 4.34Å; W438-Y464 HydrophobicContact CH2-CG 4.48Å; W438-Y464 AromaticContact CZ3-CD2 3.79Å; W438-Y464 HydrophobicContact CZ3-CD2 3.79Å; W438-L466 HydrophobicContact CD2-CD1 3.91Å; W438-L466 HydrophobicContact CE3-CD1 4.18Å; W438-L466 HydrophobicContact CG-CD1 4.25Å; W438-L466 HydrophobicContact CZ2-CD1 4.46Å |
| 439 | V | 84.8 | Confident | 72.4 | Confident | 33 Ų | 33 | 66 Ų | 66 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155.4 | 167.4 | -67.9 | 0 | 0 | 0 | 0 | 109.8 | C455 R456 V458 | V439-C455 CarbonylContact O-C 3.57Å; V439-C455 WeakPolarHBondContact O-CA 3.29Å; V439-R456 HydrophobicContact CG2-CG 3.66Å; V439-R456 PolarHBondContact N-O 3.02Å; V439-R456 WeakPolarHBondContact O-CG 2.99Å; V439-R456 PolarHBondContact O-N 3.48Å; V439-V458 HydrophobicContact CB-CG2 4.34Å; V439-V458 HydrophobicContact CG1-CG2 3.62Å; V439-V458 HydrophobicContact CG2-CG2 3.84Å |
| 440 | P | 88.4 | Confident | 73.2 | Confident | 7 Ų | 7 | 66 Ų | 66 | 5% | 0.045 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 154 | -177 | -26.5 | 38.1 | 0 | 0 | 0 | 114.3 | R415 E416 C419 Y442 | R415-P440 HydrophobicContact CB-CG 4.1Å; R415-P440 HydrophobicContact CG-CB 4Å; R415-P440 HydrophobicContact CG-CG 3.88Å; E416-P440 HydrophobicContact CB-CG 4.25Å; E416-P440 HydrophobicContact CG-CG 3.81Å; C419-P440 HydrophobicContact CB-CG 4.36Å; P440-Y442 HydrophobicContact CB-CD2 4.29Å; P440-Y442 HydrophobicContact CB-CE2 3.66Å; P440-Y442 HydrophobicContact CG-CE2 4.44Å |
| 441 | K | 83.3 | Confident | 74.6 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 21% | 0.213 | 34% | 0.337 | C | S | . | . | trans | -117.7 | 108.7 | 172.7 | 176.4 | 56.3 | 159.3 | 159 | 0 | 109.1 | N443 V445 Y454 R456 F463 | K441-N443 WeakPolarHBondContact CD-O 3.3Å; K441-N443 WeakPolarHBondContact CE-O 3.47Å; K441-N443 PolarHBondContact NZ-O 3.25Å; K441-V445 HydrophobicContact CG-CG2 4.26Å; K441-V445 WeakPolarHBondContact O-CG2 3.14Å; K441-Y454 PolarHBondContact N-O 3.35Å; K441-R456 HydrophobicContact CB-CB 4.38Å; K441-F463 HydrophobicContact CB-CB 4.14Å; K441-F463 HydrophobicContact CB-CD2 4.46Å; K441-F463 HydrophobicContact CB-CG 4.38Å; K441-F463 HydrophobicContact CG-CB 3.98Å; K441-F463 HydrophobicContact CG-CD1 4.16Å; K441-F463 HydrophobicContact CG-CD2 3.86Å; K441-F463 HydrophobicContact CG-CE2 4.37Å; K441-F463 HydrophobicContact CG-CG 3.75Å | ||
| 442 | Y | 76 | Confident | 75.5 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 9% | 0.09 | 30% | 0.303 | C | S | . | . | trans | -99.5 | -49.1 | 177.7 | -59.2 | -81.5 | 0 | 0 | 0 | 111.6 | E416 P440 V445 R478 | E416-Y442 WeakPolarHBondContact OE1-CE2 3.38Å; E416-Y442 PolarHBondContact OE1-OH 3.32Å; E416-Y442 PolarHBondContact OE2-OH 2.98Å; P440-Y442 HydrophobicContact CB-CD2 4.29Å; P440-Y442 HydrophobicContact CB-CE2 3.66Å; P440-Y442 HydrophobicContact CG-CE2 4.44Å; Y442-V445 WeakPolarHBondContact O-CB 3.45Å; Y442-V445 PolarHBondContact O-N 2.99Å; Y442-R478 HydrophobicContact CD2-CB 3.98Å; Y442-R478 HydrophobicContact CE1-CB 4.27Å; Y442-R478 HydrophobicContact CE2-CB 3.73Å; Y442-R478 HydrophobicContact CE2-CG 4.23Å; Y442-R478 HydrophobicContact CG-CB 4.37Å | ||
| 443 | N | 67.7 | Low | 76.6 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 132.9 | -172.8 | -38 | 60.7 | 0 | 0 | 0 | 110.6 | K441 V445 E585 | K441-N443 WeakPolarHBondContact CD-O 3.3Å; K441-N443 WeakPolarHBondContact CE-O 3.47Å; K441-N443 PolarHBondContact NZ-O 3.25Å; N443-V445 PolarHBondContact O-N 3.38Å; N443-E585 PolarHBondContact ND2-OE1 3.04Å; N443-E585 PolarHBondContact ND2-OE2 2.92Å |
| 444 | G | 67.8 | Low | 77.6 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 86% | 0.856 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | -1.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 445 | V | 68.3 | Low | 78.7 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 10% | 0.097 | 25% | 0.25 | C | S | . | . | trans | -88.1 | 113.5 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | K441 Y442 N443 N449 Y454 | K441-V445 HydrophobicContact CG-CG2 4.26Å; K441-V445 WeakPolarHBondContact O-CG2 3.14Å; Y442-V445 WeakPolarHBondContact O-CB 3.45Å; Y442-V445 PolarHBondContact O-N 2.99Å; N443-V445 PolarHBondContact O-N 3.38Å; V445-N449 HydrophobicContact CG1-CB 3.71Å; V445-Y454 HydrophobicContact CG1-CD2 3.83Å; V445-Y454 HydrophobicContact CG1-CE2 3.84Å; V445-Y454 HydrophobicContact CG2-CD2 4.04Å; V445-Y454 HydrophobicContact CG2-CG 4.34Å | ||
| 446 | N | 67 | Low | 79.2 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | trans | -52.1 | 145.3 | 176.9 | 177.3 | -73.4 | 0 | 0 | 0 | 111.7 | A448 N449 R450 | N446-A448 VanDerWaalsContact C-N 3.25Å; N446-A448 PolarHBondContact O-N 3.16Å; N446-A448 VanDerWaalsContact O-N 3.13Å; N446-A448 WeakPolarHBondContact OD1-CB 3.29Å; N446-A448 PolarHBondContact OD1-N 2.77Å; N446-N449 WeakPolarHBondContact O-CA 3.26Å; N446-N449 WeakPolarHBondContact O-CB 3.31Å; N446-N449 PolarHBondContact O-N 3.38Å; N446-R450 PolarHBondContact O-N 2.85Å | ||
| 447 | T | 62.6 | Low | 79.3 | Confident | 102 Ų | 102 | 45.4 Ų | 45.4 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -50.7 | -39.7 | -175.5 | -31.6 | 0 | 0 | 0 | 0 | 114 | N449 R450 | T447-N449 PolarHBondContact O-N 2.93Å; T447-R450 WeakPolarHBondContact O-CB 3.47Å; T447-R450 PolarHBondContact O-N 3.39Å |
| 448 | A | 61.3 | Low | 78.8 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -62.1 | -27.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L242 N446 | L242-A448 HydrophobicContact CD2-CB 3.68Å; L242-A448 HydrophobicContact CG-CB 4Å; N446-A448 VanDerWaalsContact C-N 3.25Å; N446-A448 PolarHBondContact O-N 3.16Å; N446-A448 VanDerWaalsContact O-N 3.13Å; N446-A448 WeakPolarHBondContact OD1-CB 3.29Å; N446-A448 PolarHBondContact OD1-N 2.77Å |
| 449 | N | 74.4 | Confident | 77.9 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -98.6 | -1 | -177 | -76.3 | -80.1 | 0 | 0 | 0 | 113.4 | V445 N446 T447 C451 K452 Y454 | V445-N449 HydrophobicContact CG1-CB 3.71Å; N446-N449 WeakPolarHBondContact O-CA 3.26Å; N446-N449 WeakPolarHBondContact O-CB 3.31Å; N446-N449 PolarHBondContact O-N 3.38Å; T447-N449 PolarHBondContact O-N 2.93Å; N449-C451 PolarHBondContact O-N 2.71Å; N449-K452 PolarHBondContact O-N 2.81Å; N449-K452 VanDerWaalsContact O-N 3.1Å; N449-K452 WeakPolarHBondContact OD1-CD 3.42Å; N449-K452 VanDerWaalsContact OD1-CE 3.31Å; N449-K452 WeakPolarHBondContact OD1-CE 3.04Å; N449-K452 PolarHBondContact OD1-NZ 3.11Å; N449-Y454 HydrophobicContact CB-CE2 4.14Å |
| 450 | R | 81.7 | Confident | 77.2 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -8.8 | -176.4 | -79 | 173.9 | 88.1 | 98.2 | -20.8 | 115.1 | R415 N446 T447 C476 | R415-R450 PolarHBondContact NH1-O 3.15Å; R415-R450 PolarHBondContact NH2-O 2.7Å; N446-R450 PolarHBondContact O-N 2.85Å; T447-R450 WeakPolarHBondContact O-CB 3.47Å; T447-R450 PolarHBondContact O-N 3.39Å; R450-C476 HydrophobicContact CB-CB 4.2Å; R450-C476 VanDerWaalsContact O-O 3.11Å |
| 451 | C | 87.1 | Confident | 76.3 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 10.8 | 177.7 | -67 | 0 | 0 | 0 | 0 | 114.9 | N449 K469 V470 C484 G487 C489 | N449-C451 PolarHBondContact O-N 2.71Å; C451-K469 WeakPolarHBondContact O-CA 3.33Å; C451-V470 HydrophobicContact CB-CG2 4.45Å; C451-V470 PolarHBondContact O-N 3.3Å; C451-C484 WeakPolarHBondContact CA-SG 3.38Å; C451-C484 HydrophobicContact CB-CB 3.66Å; C451-C484 WeakPolarHBondContact CB-SG 3.21Å; C451-C484 WeakPolarHBondContact SG-CA 3.33Å; C451-C484 WeakPolarHBondContact SG-CB 3.29Å; C451-C484 CovalentContact SG-SG 2.03Å; C451-C484 PolarHBondContact SG-SG 2.61Å; C451-G487 VanDerWaalsContact CB-O 3.28Å; C451-G487 WeakPolarHBondContact CB-O 3.34Å; C451-C489 VanDerWaalsContact SG-CA 3.51Å; C451-C489 PolarHBondContact SG-N 2.68Å; C451-C489 VanDerWaalsContact SG-N 3.4Å |
| 452 | K | 85 | Confident | 75.7 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 19% | 0.191 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -89.7 | 150.1 | 165.6 | -62.7 | -175.6 | 173.7 | 167.4 | 0 | 110.2 | N449 Y454 L465 D468 | N449-K452 PolarHBondContact O-N 2.81Å; N449-K452 VanDerWaalsContact O-N 3.1Å; N449-K452 WeakPolarHBondContact OD1-CD 3.42Å; N449-K452 VanDerWaalsContact OD1-CE 3.31Å; N449-K452 WeakPolarHBondContact OD1-CE 3.04Å; N449-K452 PolarHBondContact OD1-NZ 3.11Å; K452-Y454 HydrophobicContact CB-CD2 3.96Å; K452-Y454 HydrophobicContact CB-CE2 3.6Å; K452-Y454 HydrophobicContact CD-CE2 4.02Å; K452-Y454 HydrophobicContact CG-CE2 4.35Å; K452-Y454 PolarHBondContact O-N 2.98Å; K452-Y454 VanDerWaalsContact O-N 3.11Å; K452-L465 HydrophobicContact CB-CD1 3.75Å; K452-L465 HydrophobicContact CD-CD1 4.36Å; K452-L465 HydrophobicContact CG-CD1 4.49Å; K452-D468 WeakPolarHBondContact CG-O 3.45Å |
| 453 | L | 89.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 84 | 178.4 | -174 | 68.1 | 0 | 0 | 0 | 110.8 | R415 Q418 F422 L466 K467 V470 | R415-L453 HydrophobicContact CG-CD1 3.89Å; Q418-L453 HydrophobicContact CB-CD1 3.67Å; Q418-L453 HydrophobicContact CB-CD2 4.01Å; F422-L453 HydrophobicContact CE2-CD2 3.87Å; L453-L466 HydrophobicContact CD2-CB 4.36Å; L453-L466 PolarHBondContact O-N 3.18Å; L453-K467 HydrophobicContact CB-CB 3.89Å; L453-K467 WeakPolarHBondContact CB-O 3.47Å; L453-K467 HydrophobicContact CD2-CB 3.88Å; L453-K467 HydrophobicContact CD2-CD 3.98Å; L453-K467 HydrophobicContact CD2-CG 3.85Å; L453-K467 PolarHBondContact N-O 2.8Å; L453-V470 HydrophobicContact CB-CG1 4.14Å; L453-V470 HydrophobicContact CD1-CG1 4.18Å |
| 454 | Y | 89.4 | Confident | 76.9 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.5 | 168.6 | -68.4 | -76.9 | 0 | 0 | 0 | 111 | K441 V445 N449 K452 F463 Y464 L465 | K441-Y454 PolarHBondContact N-O 3.35Å; V445-Y454 HydrophobicContact CG1-CD2 3.83Å; V445-Y454 HydrophobicContact CG1-CE2 3.84Å; V445-Y454 HydrophobicContact CG2-CD2 4.04Å; V445-Y454 HydrophobicContact CG2-CG 4.34Å; N449-Y454 HydrophobicContact CB-CE2 4.14Å; K452-Y454 HydrophobicContact CB-CD2 3.96Å; K452-Y454 HydrophobicContact CB-CE2 3.6Å; K452-Y454 HydrophobicContact CD-CE2 4.02Å; K452-Y454 HydrophobicContact CG-CE2 4.35Å; K452-Y454 PolarHBondContact O-N 2.98Å; K452-Y454 VanDerWaalsContact O-N 3.11Å; Y454-F463 AromaticContact CD1-CD2 4Å; Y454-F463 HydrophobicContact CD1-CD2 4Å; Y454-F463 HydrophobicContact CD1-CE2 4.13Å; Y454-Y464 WeakPolarHBondContact CA-O 3.05Å; Y454-L465 HydrophobicContact CD1-CB 4.1Å; Y454-L465 HydrophobicContact CD1-CD1 4.4Å; Y454-L465 HydrophobicContact CE1-CB 3.86Å; Y454-L465 HydrophobicContact CE1-CD1 4.21Å; Y454-L465 HydrophobicContact CE1-CG 4.49Å |
| 455 | C | 90.7 | Very high | 77.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.1 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | C419 W438 V439 F463 Y464 L466 | C419-C455 WeakPolarHBondContact CA-SG 3.49Å; C419-C455 HydrophobicContact CB-CB 3.94Å; C419-C455 WeakPolarHBondContact CB-SG 2.97Å; C419-C455 WeakPolarHBondContact SG-CB 3.43Å; C419-C455 CovalentContact SG-SG 2.04Å; C419-C455 PolarHBondContact SG-SG 3.07Å; W438-C455 HydrophobicContact CB-CB 4.16Å; W438-C455 HydrophobicContact CD2-CB 4.25Å; W438-C455 HydrophobicContact CE3-CB 3.67Å; W438-C455 HydrophobicContact CG-CB 4.48Å; W438-C455 HydrophobicContact CZ3-CB 4.42Å; V439-C455 CarbonylContact O-C 3.57Å; V439-C455 WeakPolarHBondContact O-CA 3.29Å; C455-F463 CarbonylContact O-C 3.57Å; C455-F463 VanDerWaalsContact O-CA 3.3Å; C455-F463 WeakPolarHBondContact O-CA 3.37Å; C455-Y464 PolarHBondContact N-O 2.93Å; C455-Y464 PolarHBondContact O-N 3.48Å; C455-L466 HydrophobicContact CB-CD1 3.74Å; C455-L466 HydrophobicContact CB-CG 4.18Å |
| 456 | R | 85.6 | Confident | 78.5 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 153.9 | 172.3 | 68.6 | -179.4 | -178 | 98 | -3.1 | 111.1 | W438 V439 K441 A462 F463 | W438-R456 WeakPolarHBondContact CA-O 3.45Å; V439-R456 HydrophobicContact CG2-CG 3.66Å; V439-R456 PolarHBondContact N-O 3.02Å; V439-R456 WeakPolarHBondContact O-CG 2.99Å; V439-R456 PolarHBondContact O-N 3.48Å; K441-R456 HydrophobicContact CB-CB 4.38Å; R456-A462 VanDerWaalsContact CA-O 3.24Å; R456-A462 WeakPolarHBondContact CA-O 3.44Å; R456-A462 WeakPolarHBondContact CB-O 3.23Å; R456-F463 HydrophobicContact CB-CB 3.75Å |
| 457 | I | 81.6 | Confident | 79.2 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.2 | 171.8 | -54.3 | 172.8 | 0 | 0 | 0 | 108.4 | I432 V436 W438 G459 T460 A462 Y464 | I432-I457 HydrophobicContact CD1-CD1 4.01Å; I432-I457 HydrophobicContact CG1-CD1 4.15Å; I432-I457 HydrophobicContact CG2-CD1 4.16Å; V436-I457 HydrophobicContact CG2-CB 4.36Å; V436-I457 HydrophobicContact CG2-CD1 4.22Å; V436-I457 HydrophobicContact CG2-CG1 3.83Å; V436-I457 HydrophobicContact CG2-CG2 3.89Å; W438-I457 HydrophobicContact CE3-CG1 4.21Å; W438-I457 HydrophobicContact CH2-CD1 4.48Å; W438-I457 HydrophobicContact CH2-CG1 3.96Å; W438-I457 HydrophobicContact CZ3-CG1 3.72Å; I457-G459 PolarHBondContact O-N 2.61Å; I457-T460 HydrophobicContact CB-CG2 4.19Å; I457-T460 WeakPolarHBondContact CB-OG1 3.44Å; I457-T460 HydrophobicContact CG2-CG2 4.16Å; I457-T460 PolarHBondContact O-N 3.02Å; I457-T460 PolarHBondContact O-OG1 3.03Å; I457-A462 PolarHBondContact N-O 3.21Å; I457-A462 VanDerWaalsContact N-O 3.16Å; I457-Y464 HydrophobicContact CD1-CE2 4.35Å |
| 458 | V | 75.2 | Confident | 79.5 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 136.9 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | R437 V439 T460 | R437-V458 HydrophobicContact CB-CB 4.46Å; R437-V458 HydrophobicContact CB-CG2 4.15Å; R437-V458 HydrophobicContact CG-CG2 3.83Å; R437-V458 PolarHBondContact O-N 3.44Å; V439-V458 HydrophobicContact CB-CG2 4.34Å; V439-V458 HydrophobicContact CG1-CG2 3.62Å; V439-V458 HydrophobicContact CG2-CG2 3.84Å; V458-T460 VanDerWaalsContact C-N 3.27Å; V458-T460 PolarHBondContact O-N 2.8Å |
| 459 | G | 68.8 | Low | 80.5 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 81% | 0.814 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -2.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I457 | I457-G459 PolarHBondContact O-N 2.61Š|
| 460 | T | 70.6 | Confident | 81.2 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 36% | 0.356 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -126.2 | 162.6 | 179.2 | 83.2 | 0 | 0 | 0 | 0 | 112.9 | I457 V458 A462 | I457-T460 HydrophobicContact CB-CG2 4.19Å; I457-T460 WeakPolarHBondContact CB-OG1 3.44Å; I457-T460 HydrophobicContact CG2-CG2 4.16Å; I457-T460 PolarHBondContact O-N 3.02Å; I457-T460 PolarHBondContact O-OG1 3.03Å; V458-T460 VanDerWaalsContact C-N 3.27Å; V458-T460 PolarHBondContact O-N 2.8Å; T460-A462 PolarHBondContact OG1-N 2.93Å |
| 461 | A | 68 | Low | 81.7 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 76% | 0.76 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -83.7 | -11.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 462 | A | 71.7 | Confident | 81.7 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | trans | -73.8 | 132.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R456 I457 T460 Y464 | R456-A462 VanDerWaalsContact CA-O 3.24Å; R456-A462 WeakPolarHBondContact CA-O 3.44Å; R456-A462 WeakPolarHBondContact CB-O 3.23Å; I457-A462 PolarHBondContact N-O 3.21Å; I457-A462 VanDerWaalsContact N-O 3.16Å; T460-A462 PolarHBondContact OG1-N 2.93Å; A462-Y464 HydrophobicContact CB-CE2 4.36Å | ||
| 463 | F | 83.4 | Confident | 81.9 | Confident | 86 Ų | 86 | 51.7 Ų | 51.7 | 38% | 0.377 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.3 | -176.6 | 71.9 | -85.3 | 0 | 0 | 0 | 112.5 | K441 Y454 C455 R456 | K441-F463 HydrophobicContact CB-CB 4.14Å; K441-F463 HydrophobicContact CB-CD2 4.46Å; K441-F463 HydrophobicContact CB-CG 4.38Å; K441-F463 HydrophobicContact CG-CB 3.98Å; K441-F463 HydrophobicContact CG-CD1 4.16Å; K441-F463 HydrophobicContact CG-CD2 3.86Å; K441-F463 HydrophobicContact CG-CE2 4.37Å; K441-F463 HydrophobicContact CG-CG 3.75Å; Y454-F463 AromaticContact CD1-CD2 4Å; Y454-F463 HydrophobicContact CD1-CD2 4Å; Y454-F463 HydrophobicContact CD1-CE2 4.13Å; C455-F463 CarbonylContact O-C 3.57Å; C455-F463 VanDerWaalsContact O-CA 3.3Å; C455-F463 WeakPolarHBondContact O-CA 3.37Å; R456-F463 HydrophobicContact CB-CB 3.75Å |
| 464 | Y | 84.5 | Confident | 81.9 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155.9 | -172 | -56.9 | -87.8 | 0 | 0 | 0 | 110.8 | I429 I432 W438 Y454 C455 I457 A462 | I429-Y464 HydrophobicContact CD1-CD1 3.62Å; I429-Y464 HydrophobicContact CD1-CD2 4.27Å; I429-Y464 HydrophobicContact CD1-CE1 4.1Å; I429-Y464 HydrophobicContact CD1-CG 3.7Å; I429-Y464 HydrophobicContact CG2-CE1 4.07Å; I432-Y464 HydrophobicContact CD1-CD2 4.24Å; I432-Y464 HydrophobicContact CD1-CE2 3.75Å; W438-Y464 AromaticContact CH2-CD2 3.71Å; W438-Y464 HydrophobicContact CH2-CD2 3.71Å; W438-Y464 HydrophobicContact CH2-CE2 4.34Å; W438-Y464 HydrophobicContact CH2-CG 4.48Å; W438-Y464 AromaticContact CZ3-CD2 3.79Å; W438-Y464 HydrophobicContact CZ3-CD2 3.79Å; Y454-Y464 WeakPolarHBondContact CA-O 3.05Å; C455-Y464 PolarHBondContact N-O 2.93Å; C455-Y464 PolarHBondContact O-N 3.48Å; I457-Y464 HydrophobicContact CD1-CE2 4.35Å; A462-Y464 HydrophobicContact CB-CE2 4.36Å |
| 465 | L | 85 | Confident | 81.8 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118 | 173.1 | 177.7 | 59.6 | 0 | 0 | 0 | 109.2 | K452 Y454 K467 | K452-L465 HydrophobicContact CB-CD1 3.75Å; K452-L465 HydrophobicContact CD-CD1 4.36Å; K452-L465 HydrophobicContact CG-CD1 4.49Å; Y454-L465 HydrophobicContact CD1-CB 4.1Å; Y454-L465 HydrophobicContact CD1-CD1 4.4Å; Y454-L465 HydrophobicContact CE1-CB 3.86Å; Y454-L465 HydrophobicContact CE1-CD1 4.21Å; Y454-L465 HydrophobicContact CE1-CG 4.49Å; L465-K467 WeakPolarHBondContact CD1-O 3.04Å |
| 466 | L | 84.8 | Confident | 81.6 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -25.7 | -177.6 | -57.1 | -170.5 | 0 | 0 | 0 | 114 | F422 V427 W438 L453 C455 | F422-L466 HydrophobicContact CB-CD1 3.82Å; F422-L466 HydrophobicContact CD1-CD1 4.26Å; F422-L466 HydrophobicContact CD2-CB 4.05Å; F422-L466 HydrophobicContact CD2-CD1 3.68Å; F422-L466 HydrophobicContact CE1-CB 4.31Å; F422-L466 HydrophobicContact CE2-CB 3.74Å; F422-L466 HydrophobicContact CE2-CD1 4.26Å; F422-L466 HydrophobicContact CG-CB 4.45Å; F422-L466 HydrophobicContact CG-CD1 3.66Å; F422-L466 HydrophobicContact CZ-CB 3.87Å; V427-L466 HydrophobicContact CB-CD2 4.44Å; V427-L466 HydrophobicContact CG1-CD2 4.16Å; W438-L466 HydrophobicContact CD2-CD1 3.91Å; W438-L466 HydrophobicContact CE3-CD1 4.18Å; W438-L466 HydrophobicContact CG-CD1 4.25Å; W438-L466 HydrophobicContact CZ2-CD1 4.46Å; L453-L466 HydrophobicContact CD2-CB 4.36Å; L453-L466 PolarHBondContact O-N 3.18Å; C455-L466 HydrophobicContact CB-CD1 3.74Å; C455-L466 HydrophobicContact CB-CG 4.18Å |
| 467 | K | 82.6 | Confident | 81.4 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 137.7 | 169.5 | -64.2 | -177 | 177.6 | 178.6 | 0 | 110.4 | E421 F422 L453 L465 K469 | E421-K467 IonicContact OE1-NZ 2.81Å; E421-K467 PolarHBondContact OE1-NZ 2.88Å; E421-K467 IonicContact OE2-NZ 3.92Å; E421-K467 PolarHBondContact OE2-NZ 3.39Å; F422-K467 HydrophobicContact CE2-CD 4.25Å; F422-K467 HydrophobicContact CE2-CG 4.07Å; F422-K467 HydrophobicContact CZ-CD 4.25Å; F422-K467 HydrophobicContact CZ-CG 3.85Å; L453-K467 HydrophobicContact CB-CB 3.89Å; L453-K467 WeakPolarHBondContact CB-O 3.47Å; L453-K467 HydrophobicContact CD2-CB 3.88Å; L453-K467 HydrophobicContact CD2-CD 3.98Å; L453-K467 HydrophobicContact CD2-CG 3.85Å; L453-K467 PolarHBondContact N-O 2.8Å; L465-K467 WeakPolarHBondContact CD1-O 3.04Å; K467-K469 VanDerWaalsContact C-N 3.26Å; K467-K469 PolarHBondContact O-N 3.24Å |
| 468 | D | 69.7 | Low | 81.1 | Confident | 90 Ų | 90 | 51.7 Ų | 51.7 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -67.3 | -22 | -176.8 | -66.3 | -49.6 | 0 | 0 | 0 | 114.6 | F240 K452 | F240-D468 HydrophobicContact CE1-CB 3.99Å; F240-D468 HydrophobicContact CE2-CB 4.42Å; F240-D468 HydrophobicContact CZ-CB 3.46Å; F240-D468 VanDerWaalsContact CZ-CB 3.46Å; K452-D468 WeakPolarHBondContact CG-O 3.45Å |
| 469 | K | 81.2 | Confident | 80.7 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -137.6 | 148.9 | 163.9 | 72.8 | 167.6 | -167.8 | 161.7 | 0 | 111.9 | C451 K467 D472 D486 | C451-K469 WeakPolarHBondContact O-CA 3.33Å; K467-K469 VanDerWaalsContact C-N 3.26Å; K467-K469 PolarHBondContact O-N 3.24Å; K469-D472 IonicContact NZ-OD1 3.82Å; K469-D472 PolarHBondContact NZ-OD1 3.26Å; K469-D472 IonicContact NZ-OD2 2.67Å; K469-D472 PolarHBondContact NZ-OD2 2.84Å; K469-D486 IonicContact NZ-OD1 2.79Å; K469-D486 PolarHBondContact NZ-OD1 2.94Å |
| 470 | V | 89.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 162.4 | 162.7 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | R415 C451 L453 T474 C484 | R415-V470 HydrophobicContact CG-CG1 4.45Å; C451-V470 HydrophobicContact CB-CG2 4.45Å; C451-V470 PolarHBondContact O-N 3.3Å; L453-V470 HydrophobicContact CB-CG1 4.14Å; L453-V470 HydrophobicContact CD1-CG1 4.18Å; V470-T474 HydrophobicContact CB-CG2 4.24Å; V470-T474 HydrophobicContact CG2-CG2 4.17Å; V470-C484 HydrophobicContact CG2-CB 3.51Å |
| 471 | V | 90.6 | Very high | 81.6 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 39% | 0.394 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 135.4 | 171.5 | 175.8 | 0 | 0 | 0 | 0 | 110 | S366 Q418 T474 | S366-V471 WeakPolarHBondContact O-CG1 3.32Å; Q418-V471 HydrophobicContact CG-CG2 4.37Å; V471-T474 VanDerWaalsContact O-CB 3.27Å; V471-T474 WeakPolarHBondContact O-CB 3.11Å; V471-T474 PolarHBondContact O-N 2.88Å; V471-T474 PolarHBondContact O-OG1 3.42Å |
| 472 | D | 88.3 | Confident | 82.5 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 139.7 | -177.4 | -56 | -52.5 | 0 | 0 | 0 | 110.4 | S366 V373 K469 C484 D486 | S366-D472 WeakPolarHBondContact CB-O 3.34Å; S366-D472 PolarHBondContact OG-O 3.01Å; V373-D472 HydrophobicContact CB-CB 4.28Å; K469-D472 IonicContact NZ-OD1 3.82Å; K469-D472 PolarHBondContact NZ-OD1 3.26Å; K469-D472 IonicContact NZ-OD2 2.67Å; K469-D472 PolarHBondContact NZ-OD2 2.84Å; D472-C484 CarbonylContact C-O 3.52Å; D472-C484 WeakPolarHBondContact CA-O 3.04Å; D472-D486 WeakPolarHBondContact OD1-CA 3.03Å; D472-D486 PolarHBondContact OD1-N 2.9Å |
| 473 | G | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -8.4 | -170 | 0 | 0 | 0 | 0 | 0 | 115.3 | R367 G371 C484 | R367-G473 PolarHBondContact NH1-O 2.8Å; G371-G473 WeakPolarHBondContact O-CA 3.14Å; G473-C484 PolarHBondContact N-O 3.13Å |
| 474 | T | 89.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | trans | -63.2 | 131.4 | 171.5 | -55.4 | 0 | 0 | 0 | 0 | 110 | F414 R415 Q418 V470 V471 C484 | F414-T474 HydrophobicContact CB-CG2 4.4Å; R415-T474 HydrophobicContact CB-CG2 3.94Å; Q418-T474 PolarHBondContact NE2-OG1 3.36Å; V470-T474 HydrophobicContact CB-CG2 4.24Å; V470-T474 HydrophobicContact CG2-CG2 4.17Å; V471-T474 VanDerWaalsContact O-CB 3.27Å; V471-T474 WeakPolarHBondContact O-CB 3.11Å; V471-T474 PolarHBondContact O-N 2.88Å; V471-T474 PolarHBondContact O-OG1 3.42Å; T474-C484 VanDerWaalsContact O-CB 3.31Å; T474-C484 WeakPolarHBondContact O-CB 3.01Å; T474-C484 PolarHBondContact O-N 3.2Å; T474-C484 PolarHBondContact O-SG 2.72Å | ||
| 475 | P | 88.4 | Confident | 83.7 | Confident | 40 Ų | 40 | 39.6 Ų | 39.6 | 26% | 0.26 | 20% | 0.195 | S | C | . | . | B | Isolated β-bridge | trans | -55.4 | 144.6 | 174.7 | -28.2 | 36.7 | 0 | 0 | 0 | 112.9 | R415 G477 | R415-P475 PolarHBondContact NH2-O 3.42Å; P475-G477 WeakPolarHBondContact CB-O 3.04Å |
| 476 | C | 86.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -70.4 | -43 | -175.6 | -63 | 0 | 0 | 0 | 0 | 113.1 | R415 R450 D482 I483 C489 | R415-C476 PolarHBondContact NH1-O 3.06Å; R415-C476 PolarHBondContact NH2-O 3.45Å; R415-C476 VanDerWaalsContact NH2-O 3.13Å; R450-C476 HydrophobicContact CB-CB 4.2Å; R450-C476 VanDerWaalsContact O-O 3.11Å; C476-D482 HydrophobicContact CB-CB 4.34Å; C476-D482 PolarHBondContact N-O 2.67Å; C476-D482 PolarHBondContact SG-O 3.01Å; C476-D482 VanDerWaalsContact SG-O 3.38Å; C476-I483 VanDerWaalsContact SG-C 3.56Å; C476-C489 HydrophobicContact CB-CB 4.13Å; C476-C489 WeakPolarHBondContact CB-SG 3.07Å; C476-C489 WeakPolarHBondContact SG-CA 3.1Å; C476-C489 WeakPolarHBondContact SG-CB 3.33Å; C476-C489 CovalentContact SG-SG 2.04Å; C476-C489 PolarHBondContact SG-SG 2.86Å |
| 477 | G | 80.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -114.2 | 178 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P475 Y479 T480 | P475-G477 WeakPolarHBondContact CB-O 3.04Å; G477-Y479 VanDerWaalsContact C-N 3.31Å; G477-Y479 PolarHBondContact O-N 2.99Å; G477-T480 PolarHBondContact N-OG1 2.98Å |
| 478 | R | 75 | Confident | 82 | Confident | 123 Ų | 123 | 38.9 Ų | 38.9 | 46% | 0.464 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -63.1 | -34.3 | -179.4 | -173.6 | 176.6 | -97.7 | -161.4 | -12.1 | 113.7 | E416 Y442 | E416-R478 IonicContact OE1-NE 3.66Å; E416-R478 IonicContact OE1-NH2 3.75Å; Y442-R478 HydrophobicContact CD2-CB 3.98Å; Y442-R478 HydrophobicContact CE1-CB 4.27Å; Y442-R478 HydrophobicContact CE2-CB 3.73Å; Y442-R478 HydrophobicContact CE2-CG 4.23Å; Y442-R478 HydrophobicContact CG-CB 4.37Å |
| 479 | Y | 68.2 | Low | 82.5 | Confident | 78 Ų | 78 | 36.3 Ų | 36.3 | 31% | 0.306 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -125.2 | 4.2 | -175.6 | -55.9 | -80.8 | 0 | 0 | 0 | 114.3 | G477 V592 R609 | G477-Y479 VanDerWaalsContact C-N 3.31Å; G477-Y479 PolarHBondContact O-N 2.99Å; Y479-V592 HydrophobicContact CD2-CB 4.26Å; Y479-V592 HydrophobicContact CD2-CG2 4.17Å; Y479-V592 HydrophobicContact CE2-CB 3.89Å; Y479-V592 HydrophobicContact CE2-CG2 3.34Å; Y479-R609 PolarHBondContact O-NH2 2.86Å; Y479-R609 VanDerWaalsContact O-NH2 3.12Å |
| 480 | T | 78 | Confident | 82.5 | Confident | 47 Ų | 47 | 37.5 Ų | 37.5 | 29% | 0.288 | 19% | 0.193 | S | C | . | . | trans | -77.9 | 141.8 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | G477 | G477-T480 PolarHBondContact N-OG1 2.98Š| ||
| 481 | E | 79.9 | Confident | 82.2 | Confident | 59 Ų | 59 | 40 Ų | 40 | 28% | 0.276 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -70.8 | -31 | 174.2 | -63.8 | 166.2 | 162.1 | 0 | 0 | 111.9 | C494 | E481-C494 VanDerWaalsContact OE1-CB 3.26Å; E481-C494 WeakPolarHBondContact OE1-CB 3.32Å |
| 482 | D | 87.1 | Confident | 81.9 | Confident | 60 Ų | 60 | 37 Ų | 37 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | trans | -54.9 | 135.1 | 173.4 | -75.5 | 17.2 | 0 | 0 | 0 | 113.3 | C476 K491 | C476-D482 HydrophobicContact CB-CB 4.34Å; C476-D482 PolarHBondContact N-O 2.67Å; C476-D482 PolarHBondContact SG-O 3.01Å; C476-D482 VanDerWaalsContact SG-O 3.38Å; D482-K491 WeakPolarHBondContact OD1-CA 3.47Å | ||
| 483 | I | 89.2 | Confident | 81.7 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 151.1 | -177.9 | 63.6 | 178.4 | 0 | 0 | 0 | 113 | V373 C476 V485 R490 A492 L498 | V373-I483 HydrophobicContact CG2-CD1 4.38Å; C476-I483 VanDerWaalsContact SG-C 3.56Å; I483-V485 HydrophobicContact CG1-CG2 4.35Å; I483-R490 PolarHBondContact N-O 2.83Å; I483-R490 PolarHBondContact O-N 2.95Å; I483-A492 HydrophobicContact CD1-CB 4.17Å; I483-A492 HydrophobicContact CG1-CB 4.02Å; I483-A492 HydrophobicContact CG2-CB 4.37Å; I483-L498 HydrophobicContact CD1-CB 4.21Å; I483-L498 HydrophobicContact CD1-CD1 4.3Å; I483-L498 HydrophobicContact CG1-CD1 4.25Å |
| 484 | C | 89.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.1 | 176.9 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | C451 V470 D472 G473 T474 | C451-C484 WeakPolarHBondContact CA-SG 3.38Å; C451-C484 HydrophobicContact CB-CB 3.66Å; C451-C484 WeakPolarHBondContact CB-SG 3.21Å; C451-C484 WeakPolarHBondContact SG-CA 3.33Å; C451-C484 WeakPolarHBondContact SG-CB 3.29Å; C451-C484 CovalentContact SG-SG 2.03Å; C451-C484 PolarHBondContact SG-SG 2.61Å; V470-C484 HydrophobicContact CG2-CB 3.51Å; D472-C484 CarbonylContact C-O 3.52Å; D472-C484 WeakPolarHBondContact CA-O 3.04Å; G473-C484 PolarHBondContact N-O 3.13Å; T474-C484 VanDerWaalsContact O-CB 3.31Å; T474-C484 WeakPolarHBondContact O-CB 3.01Å; T474-C484 PolarHBondContact O-N 3.2Å; T474-C484 PolarHBondContact O-SG 2.72Å |
| 485 | V | 84.5 | Confident | 81.3 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 119.7 | 173.9 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | V373 H399 I483 G487 T488 R490 L498 | V373-V485 HydrophobicContact CG1-CG1 4.35Å; V373-V485 HydrophobicContact CG2-CG2 4.21Å; H399-V485 HydrophobicContact CB-CG1 4.31Å; H399-V485 VanDerWaalsContact CD2-CG1 3.5Å; H399-V485 WeakPolarHBondContact CD2-CG1 3.32Å; I483-V485 HydrophobicContact CG1-CG2 4.35Å; V485-G487 VanDerWaalsContact C-N 3.32Å; V485-G487 PolarHBondContact O-N 2.95Å; V485-T488 PolarHBondContact N-O 2.03Å; V485-T488 PolarHBondContact O-N 3Å; V485-R490 HydrophobicContact CB-CG 4.41Å; V485-R490 HydrophobicContact CG2-CB 4.41Å; V485-R490 HydrophobicContact CG2-CG 4.41Å; V485-L498 HydrophobicContact CG2-CD1 3.79Å; V485-L498 HydrophobicContact CG2-CD2 4.14Å |
| 486 | D | 72.6 | Confident | 81.1 | Confident | 85 Ų | 85 | 37.1 Ų | 37.1 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 51.2 | -173.4 | -149.6 | 32 | 0 | 0 | 0 | 113.8 | K469 D472 T488 | K469-D486 IonicContact NZ-OD1 2.79Å; K469-D486 PolarHBondContact NZ-OD1 2.94Å; D472-D486 WeakPolarHBondContact OD1-CA 3.03Å; D472-D486 PolarHBondContact OD1-N 2.9Å; D486-T488 PolarHBondContact O-N 3.47Å |
| 487 | G | 73.7 | Confident | 81.2 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 2.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C451 V485 | C451-G487 VanDerWaalsContact CB-O 3.28Å; C451-G487 WeakPolarHBondContact CB-O 3.34Å; V485-G487 VanDerWaalsContact C-N 3.32Å; V485-G487 PolarHBondContact O-N 2.95Å |
| 488 | T | 71 | Confident | 81.3 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.8 | 178.3 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | V485 D486 | V485-T488 PolarHBondContact N-O 2.03Å; V485-T488 PolarHBondContact O-N 3Å; D486-T488 PolarHBondContact O-N 3.47Å |
| 489 | C | 79.6 | Confident | 81.5 | Confident | 35 Ų | 35 | 41 Ų | 41 | 24% | 0.236 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.2 | 174.5 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | C451 C476 | C451-C489 VanDerWaalsContact SG-CA 3.51Å; C451-C489 PolarHBondContact SG-N 2.68Å; C451-C489 VanDerWaalsContact SG-N 3.4Å; C476-C489 HydrophobicContact CB-CB 4.13Å; C476-C489 WeakPolarHBondContact CB-SG 3.07Å; C476-C489 WeakPolarHBondContact SG-CA 3.1Å; C476-C489 WeakPolarHBondContact SG-CB 3.33Å; C476-C489 CovalentContact SG-SG 2.04Å; C476-C489 PolarHBondContact SG-SG 2.86Å |
| 490 | R | 82.6 | Confident | 82.1 | Confident | 91 Ų | 91 | 38.3 Ų | 38.3 | 34% | 0.343 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.2 | -179.4 | -63.7 | -170.7 | 65.7 | 179.3 | -4.6 | 110.7 | I483 V485 A492 L498 | I483-R490 PolarHBondContact N-O 2.83Å; I483-R490 PolarHBondContact O-N 2.95Å; V485-R490 HydrophobicContact CB-CG 4.41Å; V485-R490 HydrophobicContact CG2-CB 4.41Å; V485-R490 HydrophobicContact CG2-CG 4.41Å; R490-A492 PolarHBondContact O-N 2.02Å; R490-L498 HydrophobicContact CB-CD1 3.63Å; R490-L498 HydrophobicContact CG-CD1 4.47Å |
| 491 | K | 82.8 | Confident | 82.2 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 24% | 0.235 | 22% | 0.221 | C | C | . | . | trans | -54.6 | 131.3 | 174.8 | -174.6 | 178.6 | -179.2 | -174.8 | 0 | 111.5 | R28 D482 G499 S500 D501 | R28-K491 VanDerWaalsContact NH2-CB 3.28Å; D482-K491 WeakPolarHBondContact OD1-CA 3.47Å; K491-G499 PolarHBondContact O-N 2.84Å; K491-S500 WeakPolarHBondContact CE-O 3.23Å; K491-D501 WeakPolarHBondContact CE-OD1 3.44Å; K491-D501 IonicContact NZ-OD1 3.27Å; K491-D501 PolarHBondContact NZ-OD1 2.91Å | ||
| 492 | A | 84.7 | Confident | 82.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -129.5 | 161.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | I483 R490 R497 S500 | I483-A492 HydrophobicContact CD1-CB 4.17Å; I483-A492 HydrophobicContact CG1-CB 4.02Å; I483-A492 HydrophobicContact CG2-CB 4.37Å; R490-A492 PolarHBondContact O-N 2.02Å; A492-R497 WeakPolarHBondContact CA-O 3.42Å; A492-R497 WeakPolarHBondContact CB-O 3.36Å; A492-S500 CarbonylContact C-O 3.54Å |
| 493 | G | 84.1 | Confident | 82 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -85.3 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D495 N496 R497 S500 L502 | G493-D495 PolarHBondContact O-N 3.25Å; G493-N496 PolarHBondContact O-N 3.29Å; G493-N496 VanDerWaalsContact O-N 3.09Å; G493-R497 PolarHBondContact N-O 2.86Å; G493-S500 PolarHBondContact N-O 2.59Å; G493-L502 CarbonylContact C-O 3.6Å; G493-L502 WeakPolarHBondContact CA-O 3.48Å | ||
| 494 | C | 84.3 | Confident | 81.6 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -14.8 | 171.7 | 60.8 | 0 | 0 | 0 | 0 | 114 | E481 N496 L502 K503 R504 C510 | E481-C494 VanDerWaalsContact OE1-CB 3.26Å; E481-C494 WeakPolarHBondContact OE1-CB 3.32Å; C494-N496 VanDerWaalsContact C-N 3.29Å; C494-L502 PolarHBondContact N-O 3.31Å; C494-L502 PolarHBondContact SG-O 2.9Å; C494-K503 PolarHBondContact SG-O 3.42Å; C494-K503 VanDerWaalsContact SG-O 3.37Å; C494-R504 HydrophobicContact CB-CG 3.9Å; C494-C510 HydrophobicContact CB-CB 3.71Å; C494-C510 WeakPolarHBondContact CB-SG 3.38Å; C494-C510 WeakPolarHBondContact SG-CA 3.32Å; C494-C510 WeakPolarHBondContact SG-CB 3.48Å; C494-C510 CovalentContact SG-SG 2.03Å; C494-C510 PolarHBondContact SG-SG 3.06Å |
| 495 | D | 84.6 | Confident | 81.3 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.193 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 14.8 | 177.3 | 75.4 | -43.6 | 0 | 0 | 0 | 113.5 | G493 R497 S500 L502 C510 | G493-D495 PolarHBondContact O-N 3.25Å; D495-R497 PolarHBondContact O-N 2.89Å; D495-R497 VanDerWaalsContact O-N 3.08Å; D495-R497 WeakPolarHBondContact OD2-CB 3.32Å; D495-R497 WeakPolarHBondContact OD2-CD 3.14Å; D495-R497 WeakPolarHBondContact OD2-CG 3.42Å; D495-R497 IonicContact OD2-NE 3.65Å; D495-R497 PolarHBondContact OD2-NE 3.47Å; D495-S500 WeakPolarHBondContact OD1-CB 3.33Å; D495-S500 PolarHBondContact OD1-OG 3.06Å; D495-L502 HydrophobicContact CB-CD2 4.23Å; D495-C510 PolarHBondContact N-SG 2.86Å |
| 496 | N | 85.7 | Confident | 81 | Confident | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 58.9 | 16.5 | -179.3 | -63.5 | -47.8 | 0 | 0 | 0 | 114.9 | G370 I404 D406 G493 C494 | G370-N496 PolarHBondContact O-OD1 3.27Å; I404-N496 HydrophobicContact CB-CB 4.28Å; I404-N496 PolarHBondContact O-ND2 3.23Å; D406-N496 PolarHBondContact OD1-ND2 3.2Å; G493-N496 PolarHBondContact O-N 3.29Å; G493-N496 VanDerWaalsContact O-N 3.09Å; C494-N496 VanDerWaalsContact C-N 3.29Å |
| 497 | R | 87.3 | Confident | 81.3 | Confident | 132 Ų | 132 | 50.6 Ų | 50.6 | 50% | 0.498 | 26% | 0.261 | S | S | . | . | trans | -94.3 | 123.8 | 178.6 | -69.4 | -173.7 | -148.4 | -118 | 2.4 | 112.6 | I404 A492 G493 D495 G499 S500 | I404-R497 HydrophobicContact CD1-CG 4.23Å; I404-R497 HydrophobicContact CG2-CG 4.16Å; A492-R497 WeakPolarHBondContact CA-O 3.42Å; A492-R497 WeakPolarHBondContact CB-O 3.36Å; G493-R497 PolarHBondContact N-O 2.86Å; D495-R497 PolarHBondContact O-N 2.89Å; D495-R497 VanDerWaalsContact O-N 3.08Å; D495-R497 WeakPolarHBondContact OD2-CB 3.32Å; D495-R497 WeakPolarHBondContact OD2-CD 3.14Å; D495-R497 WeakPolarHBondContact OD2-CG 3.42Å; D495-R497 IonicContact OD2-NE 3.65Å; D495-R497 PolarHBondContact OD2-NE 3.47Å; R497-G499 PolarHBondContact O-N 3.01Å; R497-S500 VanDerWaalsContact O-CB 3.24Å; R497-S500 WeakPolarHBondContact O-CB 3.43Å; R497-S500 PolarHBondContact O-N 2.92Å | ||
| 498 | L | 82.2 | Confident | 81.3 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -53.6 | 120 | 170.5 | -177.2 | 63.5 | 0 | 0 | 0 | 111.4 | H399 S401 I483 V485 R490 S500 | H399-L498 HydrophobicContact CB-CD2 4.23Å; S401-L498 PolarHBondContact OG-N 3.34Å; I483-L498 HydrophobicContact CD1-CB 4.21Å; I483-L498 HydrophobicContact CD1-CD1 4.3Å; I483-L498 HydrophobicContact CG1-CD1 4.25Å; V485-L498 HydrophobicContact CG2-CD1 3.79Å; V485-L498 HydrophobicContact CG2-CD2 4.14Å; R490-L498 HydrophobicContact CB-CD1 3.63Å; R490-L498 HydrophobicContact CG-CD1 4.47Å; L498-S500 VanDerWaalsContact C-N 3.34Å |
| 499 | G | 79.6 | Confident | 81.7 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 2.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K491 R497 | K491-G499 PolarHBondContact O-N 2.84Å; R497-G499 PolarHBondContact O-N 3.01Å |
| 500 | S | 81.9 | Confident | 81.6 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | trans | -67.7 | 143.7 | 169.3 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | K491 A492 G493 D495 R497 L498 L502 | K491-S500 WeakPolarHBondContact CE-O 3.23Å; A492-S500 CarbonylContact C-O 3.54Å; G493-S500 PolarHBondContact N-O 2.59Å; D495-S500 WeakPolarHBondContact OD1-CB 3.33Å; D495-S500 PolarHBondContact OD1-OG 3.06Å; R497-S500 VanDerWaalsContact O-CB 3.24Å; R497-S500 WeakPolarHBondContact O-CB 3.43Å; R497-S500 PolarHBondContact O-N 2.92Å; L498-S500 VanDerWaalsContact C-N 3.34Å; S500-L502 WeakPolarHBondContact OG-CB 3.49Å; S500-L502 PolarHBondContact OG-N 2.86Å | ||
| 501 | D | 80.2 | Confident | 81.3 | Confident | 106 Ų | 106 | 49.7 Ų | 49.7 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | trans | -99.5 | -3.1 | 175 | -77.1 | -32.8 | 0 | 0 | 0 | 112.9 | K491 | K491-D501 WeakPolarHBondContact CE-OD1 3.44Å; K491-D501 IonicContact NZ-OD1 3.27Å; K491-D501 PolarHBondContact NZ-OD1 2.91Å | ||
| 502 | L | 82.8 | Confident | 81.1 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 41% | 0.408 | 27% | 0.271 | S | S | . | . | trans | -65 | 132.7 | -175.9 | -154.6 | 71.5 | 0 | 0 | 0 | 111.3 | G493 C494 D495 S500 | G493-L502 CarbonylContact C-O 3.6Å; G493-L502 WeakPolarHBondContact CA-O 3.48Å; C494-L502 PolarHBondContact N-O 3.31Å; C494-L502 PolarHBondContact SG-O 2.9Å; D495-L502 HydrophobicContact CB-CD2 4.23Å; S500-L502 WeakPolarHBondContact OG-CB 3.49Å; S500-L502 PolarHBondContact OG-N 2.86Å | ||
| 503 | K | 79.8 | Confident | 80.8 | Confident | 145 Ų | 145 | 54.1 Ų | 54.1 | 63% | 0.63 | 30% | 0.301 | S | S | * | . | trans | -120.6 | 167.4 | 179.1 | -71.3 | -174.5 | 176.6 | -176.5 | 0 | 110.9 | C494 G511 | C494-K503 PolarHBondContact SG-O 3.42Å; C494-K503 VanDerWaalsContact SG-O 3.37Å; K503-G511 PolarHBondContact O-N 3.39Å | ||
| 504 | R | 81.2 | Confident | 80.2 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 32% | 0.317 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 145.8 | 165.6 | -66.6 | 172.8 | -175.3 | -90.5 | -5.6 | 110.9 | C494 G508 I509 C510 | C494-R504 HydrophobicContact CB-CG 3.9Å; R504-G508 VanDerWaalsContact CD-O 3.31Å; R504-G508 WeakPolarHBondContact CD-O 3.3Å; R504-G508 WeakPolarHBondContact CG-O 3.44Å; R504-G508 PolarHBondContact NH1-O 2.67Å; R504-I509 CarbonylContact C-O 3.58Å; R504-I509 VanDerWaalsContact CA-O 3.26Å; R504-I509 WeakPolarHBondContact CA-O 3.43Å; R504-C510 HydrophobicContact CG-CB 4.33Å |
| 505 | D | 81.6 | Confident | 80 | Confident | 28 Ų | 28 | 59 Ų | 59 | 15% | 0.15 | 34% | 0.336 | C | S | . | . | trans | -79 | -179.3 | 171.6 | 69.5 | -2.3 | 0 | 0 | 0 | 111.8 | C507 G508 I509 G512 D513 G514 | D505-C507 PolarHBondContact O-N 3.16Å; D505-C507 VanDerWaalsContact O-N 3.08Å; D505-C507 WeakPolarHBondContact OD1-CA 3.45Å; D505-C507 VanDerWaalsContact OD1-CB 3.3Å; D505-C507 WeakPolarHBondContact OD1-CB 3.41Å; D505-C507 PolarHBondContact OD1-N 2.93Å; D505-G508 PolarHBondContact O-N 3.27Å; D505-G508 PolarHBondContact OD1-N 3.11Å; D505-I509 PolarHBondContact N-O 2.79Å; D505-I509 PolarHBondContact OD1-N 3.46Å; D505-G512 WeakPolarHBondContact OD2-CA 3.28Å; D505-D513 PolarHBondContact OD2-N 3.17Å; D505-G514 WeakPolarHBondContact OD2-CA 3.48Å; D505-G514 PolarHBondContact OD2-N 2.8Å | ||
| 506 | D | 78.1 | Confident | 79.7 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14.5 | 175.5 | -72.4 | -27.9 | 0 | 0 | 0 | 113.2 | K519 S543 N544 S635 | D506-K519 VanDerWaalsContact OD2-CE 3.24Å; D506-K519 WeakPolarHBondContact OD2-CE 3.37Å; D506-K519 IonicContact OD2-NZ 3.7Å; D506-K519 PolarHBondContact OD2-NZ 2.82Å; D506-S543 PolarHBondContact O-OG 2.88Å; D506-N544 VanDerWaalsContact CG-ND2 3.32Å; D506-N544 WeakPolarHBondContact O-CB 3.44Å; D506-N544 PolarHBondContact OD1-ND2 2.83Å; D506-S635 WeakPolarHBondContact O-CB 3.07Å; D506-S635 PolarHBondContact O-OG 3.01Å |
| 507 | C | 78.9 | Confident | 79.5 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 9% | 0.088 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -7.3 | 176.3 | -51.1 | 0 | 0 | 0 | 0 | 112.7 | D505 I509 G514 S516 C517 S543 | D505-C507 PolarHBondContact O-N 3.16Å; D505-C507 VanDerWaalsContact O-N 3.08Å; D505-C507 WeakPolarHBondContact OD1-CA 3.45Å; D505-C507 VanDerWaalsContact OD1-CB 3.3Å; D505-C507 WeakPolarHBondContact OD1-CB 3.41Å; D505-C507 PolarHBondContact OD1-N 2.93Å; C507-I509 HydrophobicContact CB-CG1 4.41Å; C507-G514 VanDerWaalsContact SG-C 3.55Å; C507-G514 PolarHBondContact SG-O 2.65Å; C507-S516 VanDerWaalsContact CB-OG 3.27Å; C507-S516 WeakPolarHBondContact CB-OG 3.48Å; C507-S516 PolarHBondContact SG-OG 3.31Å; C507-S516 VanDerWaalsContact SG-OG 3.32Å; C507-C517 WeakPolarHBondContact CA-SG 3.24Å; C507-C517 HydrophobicContact CB-CB 3.59Å; C507-C517 WeakPolarHBondContact CB-SG 3.42Å; C507-C517 WeakPolarHBondContact SG-CB 3.36Å; C507-C517 PolarHBondContact SG-N 2.9Å; C507-C517 CovalentContact SG-SG 2.03Å; C507-C517 PolarHBondContact SG-SG 3.32Å; C507-S543 VanDerWaalsContact C-OG 3.32Å; C507-S543 PolarHBondContact O-OG 2.85Å |
| 508 | G | 73.8 | Confident | 79.3 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 86.9 | 3.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R504 D505 | R504-G508 VanDerWaalsContact CD-O 3.31Å; R504-G508 WeakPolarHBondContact CD-O 3.3Å; R504-G508 WeakPolarHBondContact CG-O 3.44Å; R504-G508 PolarHBondContact NH1-O 2.67Å; D505-G508 PolarHBondContact O-N 3.27Å; D505-G508 PolarHBondContact OD1-N 3.11Å |
| 509 | I | 79.7 | Confident | 79.4 | Confident | 84 Ų | 84 | 59 Ų | 59 | 43% | 0.431 | 35% | 0.35 | S | S | . | . | trans | -84.4 | 129.2 | -179.6 | -58.4 | -171.3 | 0 | 0 | 0 | 110 | R504 D505 C507 G511 G512 S516 | R504-I509 CarbonylContact C-O 3.58Å; R504-I509 VanDerWaalsContact CA-O 3.26Å; R504-I509 WeakPolarHBondContact CA-O 3.43Å; D505-I509 PolarHBondContact N-O 2.79Å; D505-I509 PolarHBondContact OD1-N 3.46Å; C507-I509 HydrophobicContact CB-CG1 4.41Å; I509-G511 PolarHBondContact O-N 3.39Å; I509-G512 PolarHBondContact O-N 2.82Å; I509-S516 WeakPolarHBondContact CD1-OG 3.27Å | ||
| 510 | C | 77.8 | Confident | 79.6 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 27% | 0.27 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 114.6 | -179.8 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | C494 D495 R504 G512 | C494-C510 HydrophobicContact CB-CB 3.71Å; C494-C510 WeakPolarHBondContact CB-SG 3.38Å; C494-C510 WeakPolarHBondContact SG-CA 3.32Å; C494-C510 WeakPolarHBondContact SG-CB 3.48Å; C494-C510 CovalentContact SG-SG 2.03Å; C494-C510 PolarHBondContact SG-SG 3.06Å; D495-C510 PolarHBondContact N-SG 2.86Å; R504-C510 HydrophobicContact CG-CB 4.33Å; C510-G512 PolarHBondContact O-N 2.79Å |
| 511 | G | 76.1 | Confident | 80 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 18.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K503 I509 | K503-G511 PolarHBondContact O-N 3.39Å; I509-G511 PolarHBondContact O-N 3.39Å |
| 512 | G | 78.5 | Confident | 80.5 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | trans | -70.2 | 170.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D505 I509 C510 | D505-G512 WeakPolarHBondContact OD2-CA 3.28Å; I509-G512 PolarHBondContact O-N 2.82Å; C510-G512 PolarHBondContact O-N 2.79Å | ||
| 513 | D | 78.1 | Confident | 80.8 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 63% | 0.631 | 36% | 0.355 | S | S | * | . | trans | -102.8 | -0.3 | -176.8 | 66.5 | -9.8 | 0 | 0 | 0 | 113.4 | D505 T515 | D505-D513 PolarHBondContact OD2-N 3.17Å; D513-T515 VanDerWaalsContact C-N 3.32Å; D513-T515 HydrophobicContact CB-CG2 4.41Å; D513-T515 VanDerWaalsContact CG-CG2 3.48Å; D513-T515 WeakPolarHBondContact OD1-CB 3.36Å; D513-T515 PolarHBondContact OD1-N 3.14Å; D513-T515 PolarHBondContact OD1-OG1 2.94Å; D513-T515 WeakPolarHBondContact OD2-CG2 3.49Å; D513-T515 PolarHBondContact OD2-OG1 3.08Å | ||
| 514 | G | 71.3 | Confident | 81.3 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 77.2 | 6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D505 C507 | D505-G514 WeakPolarHBondContact OD2-CA 3.48Å; D505-G514 PolarHBondContact OD2-N 2.8Å; C507-G514 VanDerWaalsContact SG-C 3.55Å; C507-G514 PolarHBondContact SG-O 2.65Å |
| 515 | T | 81.7 | Confident | 81.4 | Confident | 82 Ų | 82 | 51.8 Ų | 51.8 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | trans | -90.5 | -18.5 | -175.6 | 70.1 | 0 | 0 | 0 | 0 | 114.3 | D513 C517 K638 | D513-T515 VanDerWaalsContact C-N 3.32Å; D513-T515 HydrophobicContact CB-CG2 4.41Å; D513-T515 VanDerWaalsContact CG-CG2 3.48Å; D513-T515 WeakPolarHBondContact OD1-CB 3.36Å; D513-T515 PolarHBondContact OD1-N 3.14Å; D513-T515 PolarHBondContact OD1-OG1 2.94Å; D513-T515 WeakPolarHBondContact OD2-CG2 3.49Å; D513-T515 PolarHBondContact OD2-OG1 3.08Å; T515-C517 VanDerWaalsContact C-N 3.3Å; T515-C517 PolarHBondContact O-N 3.28Å; T515-K638 WeakPolarHBondContact O-CE 3.38Å; T515-K638 PolarHBondContact O-NZ 2.84Å | ||
| 516 | S | 78 | Confident | 81.2 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -72 | -17.8 | -176.3 | 61.5 | 0 | 0 | 0 | 0 | 114.9 | C507 I509 K638 | C507-S516 VanDerWaalsContact CB-OG 3.27Å; C507-S516 WeakPolarHBondContact CB-OG 3.48Å; C507-S516 PolarHBondContact SG-OG 3.31Å; C507-S516 VanDerWaalsContact SG-OG 3.32Å; I509-S516 WeakPolarHBondContact CD1-OG 3.27Å; S516-K638 WeakPolarHBondContact O-CB 3.48Å; S516-K638 PolarHBondContact O-N 2.85Å |
| 517 | C | 80.4 | Confident | 80.4 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 159.2 | -179 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | C507 T515 I636 K638 | C507-C517 WeakPolarHBondContact CA-SG 3.24Å; C507-C517 HydrophobicContact CB-CB 3.59Å; C507-C517 WeakPolarHBondContact CB-SG 3.42Å; C507-C517 WeakPolarHBondContact SG-CB 3.36Å; C507-C517 PolarHBondContact SG-N 2.9Å; C507-C517 CovalentContact SG-SG 2.03Å; C507-C517 PolarHBondContact SG-SG 3.32Å; T515-C517 VanDerWaalsContact C-N 3.3Å; T515-C517 PolarHBondContact O-N 3.28Å; C517-I636 CarbonylContact C-O 3.38Å; C517-I636 WeakPolarHBondContact CA-O 3.15Å; C517-I636 WeakPolarHBondContact CB-O 3.26Å; C517-K638 VanDerWaalsContact O-CE 3.27Å; C517-K638 WeakPolarHBondContact O-CE 3.48Å |
| 518 | A | 82.6 | Confident | 79.7 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | S635 I636 K638 | A518-S635 WeakPolarHBondContact O-CA 3.49Å; A518-I636 PolarHBondContact N-O 3.23Å; A518-I636 PolarHBondContact O-N 3.02Å; A518-K638 HydrophobicContact CB-CG 4.21Å |
| 519 | K | 84.5 | Confident | 79.8 | Confident | 124 Ų | 124 | 66.5 Ų | 66.5 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.7 | 173.4 | -66.6 | -178.4 | 177.8 | -177.4 | 0 | 109.3 | D506 | D506-K519 VanDerWaalsContact OD2-CE 3.24Å; D506-K519 WeakPolarHBondContact OD2-CE 3.37Å; D506-K519 IonicContact OD2-NZ 3.7Å; D506-K519 PolarHBondContact OD2-NZ 2.82Å |
| 520 | V | 85.1 | Confident | 80.1 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 29% | 0.291 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.8 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 108.3 | Y632 N633 Y634 I636 | V520-Y632 HydrophobicContact CG1-CE2 4.43Å; V520-N633 CarbonylContact O-C 3.56Å; V520-N633 WeakPolarHBondContact O-CA 3.17Å; V520-Y634 HydrophobicContact CB-CD2 4.41Å; V520-Y634 HydrophobicContact CB-CE2 4.13Å; V520-Y634 HydrophobicContact CG1-CE1 4.12Å; V520-Y634 HydrophobicContact CG1-CE2 4.19Å; V520-Y634 PolarHBondContact N-O 2.89Å; V520-Y634 PolarHBondContact O-N 3.26Å; V520-I636 HydrophobicContact CB-CD1 4.18Å; V520-I636 HydrophobicContact CG2-CD1 3.51Å; V520-I636 HydrophobicContact CG2-CG1 4.05Å |
| 521 | S | 89.5 | Confident | 80.6 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.8 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | Y632 | S521-Y632 CarbonylContact C-O 3.58Å; S521-Y632 WeakPolarHBondContact CA-O 3.47Å |
| 522 | G | 90 | Very high | 81.2 | Confident | 26 Ų | 26 | 68 Ų | 68 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 176.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R631 Y632 | G522-R631 WeakPolarHBondContact O-CA 3.02Å; G522-Y632 PolarHBondContact N-O 3.06Å; G522-Y632 PolarHBondContact O-N 2.86Å |
| 523 | A | 90.2 | Very high | 81.8 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 51% | 0.512 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 149.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | V630 R631 | A523-V630 CarbonylContact C-O 3.55Å; A523-V630 VanDerWaalsContact CA-O 3.22Å; A523-V630 WeakPolarHBondContact CA-O 3.02Å; A523-R631 HydrophobicContact CB-CG 4.34Å |
| 524 | Y | 89.3 | Confident | 82.3 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 12% | 0.122 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 115.3 | 178.6 | -179.1 | -90 | 0 | 0 | 0 | 110 | E526 N533 F534 V535 V619 P628 V630 | Y524-E526 HydrophobicContact CD2-CG 4.13Å; Y524-E526 HydrophobicContact CE1-CB 4.44Å; Y524-E526 HydrophobicContact CE2-CB 3.91Å; Y524-E526 HydrophobicContact CE2-CG 3.75Å; Y524-E526 VanDerWaalsContact CE2-OE2 3.28Å; Y524-E526 WeakPolarHBondContact CE2-OE2 3.41Å; Y524-N533 HydrophobicContact CE1-CB 4.37Å; Y524-F534 WeakPolarHBondContact CE2-O 3.38Å; Y524-V535 HydrophobicContact CD1-CG2 3.88Å; Y524-V535 HydrophobicContact CE1-CG2 4.36Å; Y524-V535 HydrophobicContact CG-CB 4.4Å; Y524-V535 HydrophobicContact CG-CG1 4.17Å; Y524-V535 HydrophobicContact CG-CG2 4.07Å; Y524-V619 HydrophobicContact CD1-CG1 4.12Å; Y524-V619 HydrophobicContact CE1-CG1 3.89Å; Y524-P628 HydrophobicContact CD1-CG 3.97Å; Y524-P628 HydrophobicContact CE1-CG 4.14Å; Y524-V630 PolarHBondContact N-O 2.82Å; Y524-V630 PolarHBondContact O-N 3.31Å |
| 525 | N | 84.9 | Confident | 83.2 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | trans | -140.1 | 28.8 | -171.2 | -56.7 | 66 | 0 | 0 | 0 | 110.6 | P628 | N525-P628 WeakPolarHBondContact CA-O 3.39Å; N525-P628 PolarHBondContact ND2-O 2.71Å | ||
| 526 | E | 77.6 | Confident | 83.7 | Confident | 126 Ų | 126 | 62.8 Ų | 62.8 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 169.2 | -171.6 | -61.1 | -168.3 | 150.6 | 0 | 0 | 114 | Y524 | Y524-E526 HydrophobicContact CD2-CG 4.13Å; Y524-E526 HydrophobicContact CE1-CB 4.44Å; Y524-E526 HydrophobicContact CE2-CB 3.91Å; Y524-E526 HydrophobicContact CE2-CG 3.75Å; Y524-E526 VanDerWaalsContact CE2-OE2 3.28Å; Y524-E526 WeakPolarHBondContact CE2-OE2 3.41Å |
| 527 | I | 60.9 | Low | 84.3 | Confident | 156 Ų | 156 | 64.2 Ų | 64.2 | 80% | 0.8 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 130.6 | -176 | -58.9 | 172.9 | 0 | 0 | 0 | 110.6 | ||
| 528 | H | 63.8 | Low | 84.8 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 15% | 0.153 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 140.1 | -169.7 | -54.3 | -82.7 | 0 | 0 | 0 | 116.1 | S621 L625 N626 M627 | H528-S621 PolarHBondContact ND1-OG 2.83Å; H528-L625 HydrophobicContact CB-CB 3.91Å; H528-L625 HydrophobicContact CB-CD1 4.34Å; H528-L625 HydrophobicContact CB-CD2 4.03Å; H528-L625 HydrophobicContact CB-CG 4.3Å; H528-L625 VanDerWaalsContact CD2-C 3.43Å; H528-L625 PolarHBondContact CD2-O 2.94Å; H528-L625 PolarHBondContact NE2-O 3.4Å; H528-N626 PolarHBondContact CE1-O 3.18Å; H528-N626 PolarHBondContact NE2-O 3.11Å; H528-M627 WeakPolarHBondContact NE2-CA 3.31Å; H528-M627 PolarHBondContact NE2-N 2.94Å |
| 529 | V | 76 | Confident | 85.2 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 62% | 0.618 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -101.6 | 147.9 | 140.6 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | G531 N533 | V529-G531 PolarHBondContact O-N 3.49Å; V529-N533 PolarHBondContact N-OD1 2.99Å; V529-N533 PolarHBondContact O-ND2 2.57Å; V529-N533 PolarHBondContact O-OD1 2.7Å |
| 530 | Y | 85.7 | Confident | 85.2 | Confident | 145 Ų | 145 | 58.3 Ų | 58.3 | 57% | 0.569 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -67.6 | 128.8 | 171.3 | 172.1 | -87.6 | 0 | 0 | 0 | 110.3 | F577 V622 L625 | Y530-F577 AromaticContact CE1-CE1 3.92Å; Y530-F577 HydrophobicContact CE1-CE1 3.92Å; Y530-V622 HydrophobicContact CE2-CB 4.28Å; Y530-V622 HydrophobicContact CE2-CG1 4.09Å; Y530-L625 HydrophobicContact CD2-CD2 4.49Å |
| 531 | G | 87.9 | Confident | 85 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.8 | -148.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V529 N533 L620 S621 | V529-G531 PolarHBondContact O-N 3.49Å; G531-N533 PolarHBondContact O-N 2.79Å; G531-N533 PolarHBondContact O-ND2 3.47Å; G531-L620 CarbonylContact O-C 3.46Å; G531-L620 WeakPolarHBondContact O-CA 3.36Å; G531-S621 PolarHBondContact N-O 2.78Å; G531-S621 PolarHBondContact O-N 2.87Å |
| 532 | Y | 90.3 | Very high | 85 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 102.4 | -175.8 | -66.3 | -81.7 | 0 | 0 | 0 | 111.3 | A563 F571 N574 G575 H576 F577 H618 L620 | Y532-A563 HydrophobicContact CD1-CB 4.01Å; Y532-A563 HydrophobicContact CE1-CB 3.8Å; Y532-F571 HydrophobicContact CD1-CD1 4.32Å; Y532-F571 AromaticContact CD1-CE1 3.48Å; Y532-F571 HydrophobicContact CD1-CE1 3.48Å; Y532-F571 VanDerWaalsContact CD1-CE1 3.48Å; Y532-F571 AromaticContact CD1-CZ 3.63Å; Y532-F571 HydrophobicContact CD1-CZ 3.63Å; Y532-F571 HydrophobicContact CD2-CE2 4.37Å; Y532-F571 HydrophobicContact CD2-CZ 4.03Å; Y532-F571 HydrophobicContact CE1-CD1 4.02Å; Y532-F571 AromaticContact CE1-CE1 3.64Å; Y532-F571 HydrophobicContact CE1-CE1 3.64Å; Y532-F571 AromaticContact CE1-CZ 3.96Å; Y532-F571 HydrophobicContact CE1-CZ 3.96Å; Y532-F571 HydrophobicContact CE2-CE2 4.42Å; Y532-F571 HydrophobicContact CE2-CZ 4.35Å; Y532-F571 HydrophobicContact CG-CE1 4.03Å; Y532-F571 HydrophobicContact CG-CE2 4.44Å; Y532-F571 AromaticContact CG-CZ 3.66Å; Y532-F571 HydrophobicContact CG-CZ 3.66Å; Y532-N574 VanDerWaalsContact CE1-O 3.31Å; Y532-N574 WeakPolarHBondContact CE1-O 3.19Å; Y532-N574 PolarHBondContact OH-O 3.12Å; Y532-G575 VanDerWaalsContact OH-CA 3.26Å; Y532-G575 WeakPolarHBondContact OH-CA 3.01Å; Y532-H576 PolarHBondContact OH-N 2.98Å; Y532-H576 VanDerWaalsContact OH-N 3.13Å; Y532-F577 HydrophobicContact CD2-CZ 4.46Å; Y532-F577 HydrophobicContact CE2-CD2 4.15Å; Y532-F577 HydrophobicContact CE2-CE2 4.02Å; Y532-F577 HydrophobicContact CE2-CZ 4.27Å; Y532-F577 PolarHBondContact OH-N 3.19Å; Y532-H618 HydrophobicContact CD1-CB 4.36Å; Y532-L620 HydrophobicContact CD1-CB 3.98Å; Y532-L620 HydrophobicContact CD1-CD1 3.97Å; Y532-L620 HydrophobicContact CD1-CG 4.46Å; Y532-L620 HydrophobicContact CD2-CD1 4.1Å; Y532-L620 HydrophobicContact CE1-CB 3.87Å; Y532-L620 HydrophobicContact CE1-CD1 3.8Å; Y532-L620 HydrophobicContact CE1-CD2 4.01Å; Y532-L620 HydrophobicContact CE1-CG 4.1Å; Y532-L620 HydrophobicContact CE2-CD1 3.93Å; Y532-L620 HydrophobicContact CG-CD1 4.12Å |
| 533 | N | 89.2 | Confident | 84.8 | Confident | 16 Ų | 16 | 51 Ų | 51 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.5 | 172 | -59.3 | -74.7 | 0 | 0 | 0 | 109.1 | Y524 V529 G531 H618 V619 S621 | Y524-N533 HydrophobicContact CE1-CB 4.37Å; V529-N533 PolarHBondContact N-OD1 2.99Å; V529-N533 PolarHBondContact O-ND2 2.57Å; V529-N533 PolarHBondContact O-OD1 2.7Å; G531-N533 PolarHBondContact O-N 2.79Å; G531-N533 PolarHBondContact O-ND2 3.47Å; N533-H618 CarbonylContact O-C 3.44Å; N533-H618 WeakPolarHBondContact O-CA 3.44Å; N533-H618 WeakPolarHBondContact O-CB 3.41Å; N533-V619 HydrophobicContact CB-CG1 3.96Å; N533-V619 PolarHBondContact N-O 3.43Å; N533-V619 PolarHBondContact O-N 2.76Å; N533-S621 PolarHBondContact ND2-OG 3.33Å |
| 534 | F | 90 | Very high | 84.7 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 132.5 | 178.9 | 172.4 | -105.9 | 0 | 0 | 0 | 110.8 | Y524 T536 K537 F616 H618 | Y524-F534 WeakPolarHBondContact CE2-O 3.38Å; F534-T536 VanDerWaalsContact CE2-C 3.42Å; F534-T536 VanDerWaalsContact CE2-O 3.31Å; F534-T536 WeakPolarHBondContact CE2-O 3.44Å; F534-K537 HydrophobicContact CZ-CB 4.23Å; F534-F616 HydrophobicContact CE2-CB 4.21Å; F534-F616 AromaticContact CE2-CD1 3.9Å; F534-F616 HydrophobicContact CE2-CD1 3.9Å; F534-H618 AromaticContact CD2-NE2 3.95Å |
| 535 | V | 89.9 | Confident | 84.8 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -57.6 | -177.1 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | Y524 L617 V619 V630 Y632 | Y524-V535 HydrophobicContact CD1-CG2 3.88Å; Y524-V535 HydrophobicContact CE1-CG2 4.36Å; Y524-V535 HydrophobicContact CG-CB 4.4Å; Y524-V535 HydrophobicContact CG-CG1 4.17Å; Y524-V535 HydrophobicContact CG-CG2 4.07Å; V535-L617 HydrophobicContact CB-CB 4.37Å; V535-L617 HydrophobicContact CB-CD2 4.02Å; V535-L617 HydrophobicContact CB-CG 4.01Å; V535-L617 WeakPolarHBondContact CB-O 3.2Å; V535-L617 HydrophobicContact CG1-CD2 3.68Å; V535-L617 HydrophobicContact CG1-CG 4.25Å; V535-L617 PolarHBondContact N-O 3.16Å; V535-V619 HydrophobicContact CG2-CB 4.04Å; V535-V619 HydrophobicContact CG2-CG1 3.84Å; V535-V630 HydrophobicContact CG1-CG1 3.96Å; V535-Y632 HydrophobicContact CG1-CD1 3.91Å; V535-Y632 HydrophobicContact CG1-CE1 3.93Å |
| 536 | T | 92.8 | Very high | 85.1 | Confident | 19 Ų | 19 | 47 Ų | 47 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 162.7 | 179.5 | -162.6 | 0 | 0 | 0 | 0 | 111.7 | F534 L538 L617 Y632 Y634 | F534-T536 VanDerWaalsContact CE2-C 3.42Å; F534-T536 VanDerWaalsContact CE2-O 3.31Å; F534-T536 WeakPolarHBondContact CE2-O 3.44Å; T536-L538 HydrophobicContact CG2-CD2 4.33Å; T536-L617 HydrophobicContact CG2-CB 4.17Å; T536-L617 HydrophobicContact CG2-CD2 4.08Å; T536-L617 PolarHBondContact N-O 3.23Å; T536-L617 WeakPolarHBondContact O-CB 3.07Å; T536-L617 PolarHBondContact O-N 2.96Å; T536-Y632 HydrophobicContact CG2-CD1 4.14Å; T536-Y632 HydrophobicContact CG2-CD2 4.24Å; T536-Y632 HydrophobicContact CG2-CE1 4.14Å; T536-Y632 HydrophobicContact CG2-CE2 4.23Å; T536-Y632 HydrophobicContact CG2-CG 4.18Å; T536-Y634 HydrophobicContact CG2-CE1 4.24Å; T536-Y634 PolarHBondContact OG1-OH 3.08Å |
| 537 | K | 90.4 | Very high | 86 | Confident | 75 Ų | 75 | 41.1 Ų | 41.1 | 33% | 0.326 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.8 | 172.9 | 173.2 | 175.6 | 167 | 169.6 | 0 | 109.1 | F534 P539 E614 F616 Y634 | F534-K537 HydrophobicContact CZ-CB 4.23Å; K537-P539 WeakPolarHBondContact O-CD 3.18Å; K537-E614 WeakPolarHBondContact CE-OE1 3.29Å; K537-E614 WeakPolarHBondContact CE-OE2 3.47Å; K537-E614 IonicContact NZ-OE1 2.68Å; K537-E614 PolarHBondContact NZ-OE1 2.75Å; K537-E614 IonicContact NZ-OE2 2.68Å; K537-E614 PolarHBondContact NZ-OE2 2.87Å; K537-F616 HydrophobicContact CB-CD1 4.41Å; K537-F616 HydrophobicContact CB-CE1 4.44Å; K537-F616 HydrophobicContact CD-CE1 3.94Å; K537-F616 HydrophobicContact CD-CZ 4.2Å; K537-F616 HydrophobicContact CG-CD1 4.46Å; K537-F616 HydrophobicContact CG-CE1 4.17Å; K537-Y634 PolarHBondContact O-OH 3.39Å; K537-Y634 VanDerWaalsContact O-OH 3.06Å |
| 538 | L | 91.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 106.7 | 169.5 | -54 | 172.5 | 0 | 0 | 0 | 107.4 | T536 I545 I547 L564 I611 L615 Y634 | T536-L538 HydrophobicContact CG2-CD2 4.33Å; L538-I545 HydrophobicContact CD1-CG2 4.48Å; L538-I547 HydrophobicContact CD1-CD1 3.99Å; L538-I547 HydrophobicContact CD2-CD1 4.39Å; L538-L564 HydrophobicContact CD1-CD2 4.26Å; L538-I611 HydrophobicContact CB-CD1 3.81Å; L538-L615 HydrophobicContact CB-CB 4.27Å; L538-L615 HydrophobicContact CD1-CB 4.32Å; L538-L615 PolarHBondContact N-O 3.35Å; L538-L615 PolarHBondContact O-N 2.85Å; L538-Y634 HydrophobicContact CD2-CD1 3.7Å; L538-Y634 HydrophobicContact CD2-CD2 4.33Å; L538-Y634 HydrophobicContact CD2-CE1 3.53Å; L538-Y634 HydrophobicContact CD2-CE2 4.17Å; L538-Y634 HydrophobicContact CD2-CG 4.12Å |
| 539 | P | 89.6 | Confident | 88.9 | Confident | 21 Ų | 21 | 34.5 Ų | 34.5 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | trans | -78.7 | 166.9 | -176.3 | 32.8 | -36.3 | 0 | 0 | 0 | 112.5 | K537 G541 A542 I611 I636 | K537-P539 WeakPolarHBondContact O-CD 3.18Å; P539-G541 PolarHBondContact O-N 3.37Å; P539-A542 HydrophobicContact CG-CB 4.48Å; P539-A542 WeakPolarHBondContact O-CB 3.45Å; P539-A542 PolarHBondContact O-N 3.06Å; P539-A542 VanDerWaalsContact O-N 3.08Å; P539-I611 WeakPolarHBondContact O-CG1 3.11Å; P539-I636 HydrophobicContact CG-CD1 3.94Å; P539-I636 HydrophobicContact CG-CG1 4.21Å; P539-I636 HydrophobicContact CG-CG2 4.12Å | ||
| 540 | V | 84 | Confident | 89.5 | Confident | 30 Ų | 30 | 31.6 Ų | 31.6 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 135.4 | 168.9 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | E614 V641 | V540-E614 HydrophobicContact CG2-CG 3.97Å; V540-V641 HydrophobicContact CG1-CB 4.29Å; V540-V641 HydrophobicContact CG1-CG1 4.11Å |
| 541 | G | 82.2 | Confident | 89.4 | Confident | 10 Ų | 10 | 25 Ų | 25 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -10.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P539 S543 I611 | P539-G541 PolarHBondContact O-N 3.37Å; G541-S543 PolarHBondContact O-N 3.19Å; G541-I611 PolarHBondContact N-O 3.24Å |
| 542 | A | 88.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -61.2 | 119.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P539 I545 P610 I611 Y634 S635 | P539-A542 HydrophobicContact CG-CB 4.48Å; P539-A542 WeakPolarHBondContact O-CB 3.45Å; P539-A542 PolarHBondContact O-N 3.06Å; P539-A542 VanDerWaalsContact O-N 3.08Å; A542-I545 HydrophobicContact CB-CD1 4.28Å; A542-P610 VanDerWaalsContact O-CA 3.3Å; A542-P610 WeakPolarHBondContact O-CA 3.47Å; A542-I611 HydrophobicContact CB-CD1 4.07Å; A542-I611 HydrophobicContact CB-CG1 4.07Å; A542-I611 PolarHBondContact O-N 2.8Å; A542-Y634 HydrophobicContact CB-CD2 3.97Å; A542-S635 CarbonylContact C-O 3.58Å; A542-S635 VanDerWaalsContact CA-O 3.29Å; A542-S635 WeakPolarHBondContact CA-O 3.2Å | ||
| 543 | S | 87.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 170.1 | -177.3 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | D506 C507 G541 I545 S635 | D506-S543 PolarHBondContact O-OG 2.88Å; C507-S543 VanDerWaalsContact C-OG 3.32Å; C507-S543 PolarHBondContact O-OG 2.85Å; G541-S543 PolarHBondContact O-N 3.19Å; S543-I545 PolarHBondContact O-N 2.82Å; S543-I545 VanDerWaalsContact O-N 3.16Å; S543-S635 PolarHBondContact N-O 2.87Å; S543-S635 PolarHBondContact O-N 2.86Å |
| 544 | N | 87.9 | Confident | 87.2 | Confident | 50 Ų | 50 | 34.4 Ų | 34.4 | 27% | 0.267 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.2 | 41.8 | -179.6 | -157.2 | 31 | 0 | 0 | 0 | 113.2 | D506 D546 S607 | D506-N544 VanDerWaalsContact CG-ND2 3.32Å; D506-N544 WeakPolarHBondContact O-CB 3.44Å; D506-N544 PolarHBondContact OD1-ND2 2.83Å; N544-D546 PolarHBondContact O-N 3.14Å; N544-S607 CarbonylContact C-O 3.58Å; N544-S607 WeakPolarHBondContact CA-O 3.09Å; N544-S607 PolarHBondContact N-O 3.02Å |
| 545 | I | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 122.7 | -174.1 | -55 | 172.5 | 0 | 0 | 0 | 108.6 | L538 A542 S543 I547 N606 S607 I611 | L538-I545 HydrophobicContact CD1-CG2 4.48Å; A542-I545 HydrophobicContact CB-CD1 4.28Å; S543-I545 PolarHBondContact O-N 2.82Å; S543-I545 VanDerWaalsContact O-N 3.16Å; I545-I547 HydrophobicContact CG2-CD1 3.55Å; I545-I547 HydrophobicContact CG2-CG1 3.92Å; I545-N606 CarbonylContact O-C 3.53Å; I545-N606 VanDerWaalsContact O-CA 3.25Å; I545-N606 WeakPolarHBondContact O-CA 3.39Å; I545-S607 PolarHBondContact N-O 3.32Å; I545-S607 PolarHBondContact O-N 2.89Å; I545-I611 HydrophobicContact CD1-CD1 4.25Å; I545-I611 HydrophobicContact CD1-CG2 3.9Å |
| 546 | D | 92.5 | Very high | 85.3 | Confident | 34 Ų | 34 | 37.3 Ų | 37.3 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 106 | 175.2 | -178.1 | 16.1 | 0 | 0 | 0 | 108.9 | N544 Q548 R604 Y632 N633 | N544-D546 PolarHBondContact O-N 3.14Å; D546-Q548 VanDerWaalsContact CG-NE2 3.31Å; D546-Q548 PolarHBondContact OD1-NE2 2.92Å; D546-Q548 PolarHBondContact OD2-NE2 3.26Å; D546-R604 IonicContact OD1-CZ 2.95Å; D546-R604 VanDerWaalsContact OD1-CZ 3.24Å; D546-R604 IonicContact OD1-NE 2.73Å; D546-R604 PolarHBondContact OD1-NE 2.98Å; D546-R604 IonicContact OD1-NH2 3.78Å; D546-R604 PolarHBondContact OD1-NH2 3.45Å; D546-R604 IonicContact OD2-CZ 3.34Å; D546-R604 IonicContact OD2-NE 2.71Å; D546-R604 IonicContact OD2-NH2 3.65Å; D546-R604 PolarHBondContact OD2-NH2 3.1Å; D546-Y632 CarbonylContact O-C 3.56Å; D546-N633 PolarHBondContact N-O 2.97Å; D546-N633 PolarHBondContact O-N 2.83Å |
| 547 | I | 95.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.8 | -179.9 | -57.1 | 151.3 | 0 | 0 | 0 | 107.9 | L538 I545 L562 R604 L605 L617 V630 R631 | L538-I547 HydrophobicContact CD1-CD1 3.99Å; L538-I547 HydrophobicContact CD2-CD1 4.39Å; I545-I547 HydrophobicContact CG2-CD1 3.55Å; I545-I547 HydrophobicContact CG2-CG1 3.92Å; I547-L562 HydrophobicContact CG2-CD1 3.95Å; I547-L562 HydrophobicContact CG2-CD2 4.18Å; I547-R604 CarbonylContact O-C 3.47Å; I547-R604 WeakPolarHBondContact O-CA 3.35Å; I547-R604 WeakPolarHBondContact O-CG 3.14Å; I547-L605 HydrophobicContact CB-CB 4.17Å; I547-L605 HydrophobicContact CB-CD1 4.48Å; I547-L605 HydrophobicContact CD1-CB 4.26Å; I547-L605 HydrophobicContact CD1-CD1 4.09Å; I547-L605 PolarHBondContact N-O 2.76Å; I547-L605 PolarHBondContact O-N 2.04Å; I547-L617 HydrophobicContact CD1-CD1 4.17Å; I547-L617 HydrophobicContact CD1-CD2 4.01Å; I547-L617 HydrophobicContact CG1-CD2 4.23Å; I547-L617 HydrophobicContact CG2-CD1 4.23Å; I547-L617 HydrophobicContact CG2-CD2 3.62Å; I547-V630 HydrophobicContact CG2-CG1 4.04Å; I547-R631 CarbonylContact C-O 3.53Å; I547-R631 WeakPolarHBondContact CA-O 3.45Å |
| 548 | Q | 93.9 | Very high | 83.6 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 110.4 | -174.9 | -71.3 | 169.3 | 51.4 | 0 | 0 | 109.1 | D546 I602 E603 R604 V630 R631 | D546-Q548 VanDerWaalsContact CG-NE2 3.31Å; D546-Q548 PolarHBondContact OD1-NE2 2.92Å; D546-Q548 PolarHBondContact OD2-NE2 3.26Å; Q548-I602 HydrophobicContact CB-CG2 3.72Å; Q548-I602 HydrophobicContact CG-CG2 3.79Å; Q548-E603 CarbonylContact C-O 3.58Å; Q548-E603 WeakPolarHBondContact CA-O 3.45Å; Q548-R604 HydrophobicContact CG-CB 4.31Å; Q548-R604 HydrophobicContact CG-CG 3.74Å; Q548-V630 CarbonylContact O-C 3.53Å; Q548-V630 WeakPolarHBondContact O-CA 3.21Å; Q548-R631 PolarHBondContact N-O 2.94Å; Q548-R631 PolarHBondContact O-N 2.8Å |
| 549 | Q | 91.7 | Very high | 83.3 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.4 | 155.3 | 167.6 | -86.1 | 6.5 | 0 | 0 | 107.5 | D558 L562 I602 E603 D629 V630 | Q549-D558 VanDerWaalsContact NE2-CG 3.34Å; Q549-D558 PolarHBondContact NE2-OD1 3.05Å; Q549-D558 PolarHBondContact NE2-OD2 2.74Å; Q549-L562 HydrophobicContact CB-CD1 4.25Å; Q549-L562 HydrophobicContact CB-CD2 3.94Å; Q549-L562 HydrophobicContact CB-CG 3.85Å; Q549-I602 CarbonylContact O-C 3.55Å; Q549-I602 WeakPolarHBondContact O-CA 3.44Å; Q549-I602 WeakPolarHBondContact O-CG2 3.47Å; Q549-E603 HydrophobicContact CB-CB 4.18Å; Q549-E603 PolarHBondContact N-O 3.12Å; Q549-E603 PolarHBondContact O-N 3.31Å; Q549-E603 VanDerWaalsContact O-N 3.08Å; Q549-E603 VanDerWaalsContact OE1-CB 3.24Å; Q549-D629 CarbonylContact C-O 3.53Å; Q549-D629 WeakPolarHBondContact CA-O 3.39Å; Q549-V630 HydrophobicContact CB-CG2 4.11Å |
| 550 | V | 88.7 | Confident | 83.2 | Confident | 40 Ų | 40 | 37.6 Ų | 37.6 | 24% | 0.242 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.3 | 170.3 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | W552 I602 D629 | V550-W552 PolarHBondContact O-N 2.73Å; V550-I602 HydrophobicContact CG2-CG1 4.44Å; V550-D629 HydrophobicContact CB-CB 4.07Å; V550-D629 PolarHBondContact N-O 2.81Å |
| 551 | A | 83.3 | Confident | 83.6 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | trans | -54.4 | 121.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N553 G554 K555 F601 | A551-N553 PolarHBondContact O-N 2.89Å; A551-G554 WeakPolarHBondContact O-CA 3.07Å; A551-G554 PolarHBondContact O-N 3.4Å; A551-K555 VanDerWaalsContact CB-O 3.26Å; A551-K555 WeakPolarHBondContact CB-O 3.4Å; A551-F601 HydrophobicContact CB-CD1 4.46Å; A551-F601 WeakPolarHBondContact CB-O 3.38Å; A551-F601 PolarHBondContact N-O 3.16Å; A551-F601 VanDerWaalsContact N-O 3.11Å | ||
| 552 | W | 75.7 | Confident | 84.2 | Confident | 93 Ų | 93 | 37.1 Ų | 37.1 | 35% | 0.352 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -52.7 | 127.8 | 174.9 | -179.5 | -114.4 | 0 | 0 | 0 | 112.1 | V550 G554 K555 D558 N626 M627 | V550-W552 PolarHBondContact O-N 2.73Å; W552-G554 PolarHBondContact O-N 2.9Å; W552-K555 PolarHBondContact O-N 2.89Å; W552-D558 HydrophobicContact CB-CB 3.59Å; W552-N626 HydrophobicContact CB-CB 3.98Å; W552-N626 HydrophobicContact CD2-CB 4.24Å; W552-N626 HydrophobicContact CG-CB 3.64Å; W552-M627 HydrophobicContact CE3-CB 4.1Å; W552-M627 HydrophobicContact CH2-CB 4.3Å; W552-M627 HydrophobicContact CH2-CE 3.66Å; W552-M627 HydrophobicContact CZ3-CB 3.81Å; W552-M627 HydrophobicContact CZ3-CE 3.78Å |
| 553 | N | 76.3 | Confident | 84.4 | Confident | 129 Ų | 129 | 37.1 Ų | 37.1 | 69% | 0.69 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | 49.3 | 25.3 | -174.3 | -72.4 | -61.2 | 0 | 0 | 0 | 114.4 | A551 K555 | A551-N553 PolarHBondContact O-N 2.89Å; N553-K555 VanDerWaalsContact C-N 3.33Å; N553-K555 PolarHBondContact O-N 3.15Å |
| 554 | G | 69 | Low | 84.8 | Confident | 48 Ų | 48 | 37.1 Ų | 37.1 | 50% | 0.495 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | 70.1 | 21.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A551 W552 F601 | A551-G554 WeakPolarHBondContact O-CA 3.07Å; A551-G554 PolarHBondContact O-N 3.4Å; W552-G554 PolarHBondContact O-N 2.9Å; G554-F601 WeakPolarHBondContact O-CD1 3.09Å; G554-F601 WeakPolarHBondContact O-CE1 3.33Å |
| 555 | K | 71.8 | Confident | 85 | Confident | 139 Ų | 139 | 36.6 Ų | 36.6 | 60% | 0.604 | 19% | 0.187 | S | C | * | . | trans | -100.9 | 123.1 | 175.6 | -66.1 | -177.5 | 176.9 | -177.5 | 0 | 111.1 | A551 W552 N553 E557 D558 | A551-K555 VanDerWaalsContact CB-O 3.26Å; A551-K555 WeakPolarHBondContact CB-O 3.4Å; W552-K555 PolarHBondContact O-N 2.89Å; N553-K555 VanDerWaalsContact C-N 3.33Å; N553-K555 PolarHBondContact O-N 3.15Å; K555-E557 PolarHBondContact O-N 3.32Å; K555-D558 PolarHBondContact O-N 3.42Å | ||
| 556 | K | 69 | Low | 85 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -60 | -12.2 | 171.6 | -51.5 | -168 | -171.8 | -171.2 | 0 | 114.2 | D599 F601 | K556-D599 WeakPolarHBondContact CD-OD1 3.49Å; K556-D599 WeakPolarHBondContact CE-O 3.44Å; K556-D599 VanDerWaalsContact NZ-CG 3.34Å; K556-D599 PolarHBondContact NZ-O 3.06Å; K556-D599 IonicContact NZ-OD1 2.63Å; K556-D599 PolarHBondContact NZ-OD1 3.02Å; K556-D599 IonicContact NZ-OD2 2.71Å; K556-F601 HydrophobicContact CD-CE1 4.41Å; K556-F601 HydrophobicContact CG-CD1 3.54Å; K556-F601 HydrophobicContact CG-CE1 3.5Å; K556-F601 VanDerWaalsContact CG-CE1 3.5Å; K556-F601 HydrophobicContact CG-CG 4.22Å; K556-F601 HydrophobicContact CG-CZ 4.16Å |
| 557 | E | 70.3 | Confident | 84.6 | Confident | 75 Ų | 75 | 39 Ų | 39 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | trans | -106.6 | 57.7 | 177.1 | -57.8 | 174.4 | 122.6 | 0 | 0 | 107 | K555 S1234 K1236 | K555-E557 PolarHBondContact O-N 3.32Å; E557-S1234 WeakPolarHBondContact OE2-CB 3.43Å; E557-S1234 PolarHBondContact OE2-OG 3.39Å; E557-K1236 WeakPolarHBondContact OE1-CD 3.45Å; E557-K1236 WeakPolarHBondContact OE1-CE 3.38Å; E557-K1236 IonicContact OE1-NZ 3.72Å; E557-K1236 PolarHBondContact OE1-NZ 2.84Å | ||
| 558 | D | 76.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.011 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -90.4 | -5.9 | 175 | 72.9 | -35.8 | 0 | 0 | 0 | 113.2 | Q549 W552 K555 N560 N626 | Q549-D558 VanDerWaalsContact NE2-CG 3.34Å; Q549-D558 PolarHBondContact NE2-OD1 3.05Å; Q549-D558 PolarHBondContact NE2-OD2 2.74Å; W552-D558 HydrophobicContact CB-CB 3.59Å; K555-D558 PolarHBondContact O-N 3.42Å; D558-N560 VanDerWaalsContact C-N 3.3Å; D558-N560 PolarHBondContact O-N 2.97Å; D558-N560 PolarHBondContact O-ND2 2.03Å; D558-N560 PolarHBondContact OD1-N 3.23Å; D558-N560 WeakPolarHBondContact OD2-CB 3.35Å; D558-N560 PolarHBondContact OD2-ND2 3.02Å; D558-N626 WeakPolarHBondContact O-CB 3.28Å; D558-N626 PolarHBondContact O-ND2 2.98Å |
| 559 | D | 85 | Confident | 83.6 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 65.3 | 21 | -176.8 | -59.9 | -27.6 | 0 | 0 | 0 | 115 | S621 V622 G624 | D559-S621 CarbonylContact O-C 3.53Å; D559-S621 VanDerWaalsContact O-CA 3.27Å; D559-S621 WeakPolarHBondContact O-CA 3.15Å; D559-V622 WeakPolarHBondContact CB-O 3.47Å; D559-V622 PolarHBondContact O-N 2.84Å; D559-G624 PolarHBondContact OD2-N 2.84Å |
| 560 | N | 88.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.9 | 174.3 | -56.6 | -67.8 | 0 | 0 | 0 | 112.2 | D558 V619 L620 S621 N626 P628 | D558-N560 VanDerWaalsContact C-N 3.3Å; D558-N560 PolarHBondContact O-N 2.97Å; D558-N560 PolarHBondContact O-ND2 2.03Å; D558-N560 PolarHBondContact OD1-N 3.23Å; D558-N560 WeakPolarHBondContact OD2-CB 3.35Å; D558-N560 PolarHBondContact OD2-ND2 3.02Å; N560-V619 HydrophobicContact CB-CG2 3.73Å; N560-L620 WeakPolarHBondContact CA-O 3.23Å; N560-S621 PolarHBondContact OD1-OG 2.92Å; N560-N626 PolarHBondContact ND2-O 2.85Å; N560-N626 PolarHBondContact OD1-O 2.8Å; N560-P628 HydrophobicContact CB-CB 4.46Å |
| 561 | Y | 91.4 | Very high | 83.4 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 12% | 0.122 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129.6 | -178 | -52.6 | -66.4 | 0 | 0 | 0 | 112.8 | A563 V579 E603 L620 V622 | Y561-A563 PolarHBondContact O-N 3.48Å; Y561-V579 HydrophobicContact CD1-CG1 3.72Å; Y561-V579 HydrophobicContact CD2-CB 4.41Å; Y561-V579 HydrophobicContact CD2-CG1 4.08Å; Y561-V579 HydrophobicContact CD2-CG2 3.49Å; Y561-V579 VanDerWaalsContact CD2-CG2 3.49Å; Y561-V579 HydrophobicContact CE1-CG1 4.26Å; Y561-V579 HydrophobicContact CE2-CG2 4.07Å; Y561-V579 HydrophobicContact CG-CB 4.38Å; Y561-V579 HydrophobicContact CG-CG1 3.61Å; Y561-V579 HydrophobicContact CG-CG2 3.79Å; Y561-E603 WeakPolarHBondContact CA-OE2 3.35Å; Y561-L620 PolarHBondContact N-O 2.81Å; Y561-L620 WeakPolarHBondContact O-CB 3.46Å; Y561-L620 PolarHBondContact O-N 2.88Å; Y561-V622 HydrophobicContact CD2-CG2 3.98Å; Y561-V622 HydrophobicContact CE2-CG2 3.92Å |
| 562 | L | 94.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 129.6 | 176.4 | -66.5 | -177.2 | 0 | 0 | 0 | 110.7 | I547 Q549 N574 E603 L605 L617 V630 | I547-L562 HydrophobicContact CG2-CD1 3.95Å; I547-L562 HydrophobicContact CG2-CD2 4.18Å; Q549-L562 HydrophobicContact CB-CD1 4.25Å; Q549-L562 HydrophobicContact CB-CD2 3.94Å; Q549-L562 HydrophobicContact CB-CG 3.85Å; L562-N574 WeakPolarHBondContact O-CB 3.31Å; L562-N574 PolarHBondContact O-ND2 2.77Å; L562-E603 HydrophobicContact CB-CG 4.44Å; L562-E603 HydrophobicContact CD1-CG 4.22Å; L562-E603 VanDerWaalsContact CD1-O 3.29Å; L562-E603 WeakPolarHBondContact CD1-O 3.37Å; L562-E603 HydrophobicContact CG-CG 4.29Å; L562-E603 WeakPolarHBondContact CG-OE2 3.3Å; L562-E603 PolarHBondContact N-OE2 3.36Å; L562-L605 HydrophobicContact CB-CD1 4.26Å; L562-L605 HydrophobicContact CD1-CD1 3.98Å; L562-L605 HydrophobicContact CD1-CG 4.04Å; L562-L617 HydrophobicContact CD2-CD1 4.37Å; L562-V630 HydrophobicContact CD2-CG1 3.83Å; L562-V630 HydrophobicContact CD2-CG2 3.83Å |
| 563 | A | 93.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y532 Y561 F571 N574 H618 | Y532-A563 HydrophobicContact CD1-CB 4.01Å; Y532-A563 HydrophobicContact CE1-CB 3.8Å; Y561-A563 PolarHBondContact O-N 3.48Å; A563-F571 HydrophobicContact CB-CD1 4.14Å; A563-F571 HydrophobicContact CB-CE1 4.13Å; A563-N574 HydrophobicContact CB-CB 4.03Å; A563-H618 HydrophobicContact CB-CB 4.17Å; A563-H618 PolarHBondContact N-O 3.25Å; A563-H618 PolarHBondContact O-N 2.92Å |
| 564 | L | 94.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.6 | 177.6 | -69.9 | 172.5 | 0 | 0 | 0 | 109.3 | L538 F571 I572 L573 I586 I593 L605 L617 | L538-L564 HydrophobicContact CD1-CD2 4.26Å; L564-F571 CarbonylContact O-C 3.58Å; L564-F571 WeakPolarHBondContact O-CA 3.22Å; L564-I572 HydrophobicContact CB-CD1 4.16Å; L564-I572 HydrophobicContact CB-CG1 3.73Å; L564-I572 WeakPolarHBondContact O-CG1 3.2Å; L564-I572 PolarHBondContact O-N 3.09Å; L564-L573 HydrophobicContact CB-CB 3.99Å; L564-L573 HydrophobicContact CD1-CD2 4.39Å; L564-L573 HydrophobicContact CG-CB 4.43Å; L564-L573 HydrophobicContact CG-CD2 4.36Å; L564-L573 PolarHBondContact N-O 3.2Å; L564-L573 PolarHBondContact O-N 2.97Å; L564-L573 VanDerWaalsContact O-N 3.16Å; L564-I586 HydrophobicContact CD1-CD1 4.23Å; L564-I593 HydrophobicContact CD1-CD1 3.76Å; L564-I593 HydrophobicContact CD1-CG2 4.43Å; L564-L605 HydrophobicContact CD1-CD1 4Å; L564-L605 HydrophobicContact CD1-CD2 4.16Å; L564-L605 HydrophobicContact CD2-CD1 4.17Å; L564-L605 HydrophobicContact CG-CD1 4.03Å; L564-L617 HydrophobicContact CD2-CB 4.44Å; L564-L617 HydrophobicContact CD2-CD1 3.8Å |
| 565 | Q | 93.6 | Very high | 85.7 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139.3 | 176.8 | -167.7 | -174.6 | 34.4 | 0 | 0 | 109.4 | G569 E570 F571 L615 F616 H618 | Q565-G569 VanDerWaalsContact CG-C 3.48Å; Q565-G569 WeakPolarHBondContact CG-O 3.45Å; Q565-G569 PolarHBondContact NE2-O 3.11Å; Q565-E570 CarbonylContact C-O 3.56Å; Q565-E570 WeakPolarHBondContact CA-O 3.17Å; Q565-F571 HydrophobicContact CB-CD1 3.96Å; Q565-F571 HydrophobicContact CB-CE1 3.96Å; Q565-F571 HydrophobicContact CB-CG 4.35Å; Q565-F571 HydrophobicContact CB-CZ 4.34Å; Q565-F571 HydrophobicContact CG-CD1 4.41Å; Q565-F571 HydrophobicContact CG-CD2 4.29Å; Q565-F571 HydrophobicContact CG-CE1 4.42Å; Q565-F571 HydrophobicContact CG-CE2 4.32Å; Q565-F571 HydrophobicContact CG-CG 4.34Å; Q565-F571 HydrophobicContact CG-CZ 4.38Å; Q565-L615 CarbonylContact O-C 3.55Å; Q565-L615 WeakPolarHBondContact O-CA 3.28Å; Q565-F616 HydrophobicContact CB-CB 4.33Å; Q565-F616 PolarHBondContact N-O 3.14Å; Q565-F616 VanDerWaalsContact N-O 3.09Å; Q565-F616 PolarHBondContact O-N 3.28Å; Q565-H618 PolarHBondContact OE1-CE1 2.77Å |
| 566 | N | 89.5 | Confident | 86.2 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 172.3 | 175.7 | 73 | 10.5 | 0 | 0 | 0 | 111.9 | K568 G569 E570 I572 L615 | N566-K568 PolarHBondContact O-N 3.13Å; N566-K568 WeakPolarHBondContact OD1-CA 3.31Å; N566-K568 WeakPolarHBondContact OD1-CB 3.4Å; N566-K568 PolarHBondContact OD1-N 2.91Å; N566-G569 PolarHBondContact O-N 2.85Å; N566-G569 PolarHBondContact OD1-N 2.91Å; N566-E570 PolarHBondContact N-O 3.34Å; N566-E570 PolarHBondContact ND2-OE2 3.08Å; N566-E570 WeakPolarHBondContact OD1-CB 3.49Å; N566-E570 PolarHBondContact OD1-N 3.24Å; N566-E570 PolarHBondContact OD1-O 2.86Å; N566-I572 HydrophobicContact CB-CG2 4.22Å; N566-L615 HydrophobicContact CB-CD2 4.36Å |
| 567 | S | 85.2 | Confident | 86.8 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 51% | 0.51 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -8.5 | 177 | 59.5 | 0 | 0 | 0 | 0 | 115.9 | E614 | S567-E614 PolarHBondContact N-O 3.11Š|
| 568 | K | 85 | Confident | 87.3 | Confident | 162 Ų | 162 | 50.7 Ų | 50.7 | 70% | 0.704 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -0.7 | 173.4 | -53.5 | 176.7 | -171.3 | 164.9 | 0 | 113 | N566 E570 | N566-K568 PolarHBondContact O-N 3.13Å; N566-K568 WeakPolarHBondContact OD1-CA 3.31Å; N566-K568 WeakPolarHBondContact OD1-CB 3.4Å; N566-K568 PolarHBondContact OD1-N 2.91Å; K568-E570 VanDerWaalsContact C-N 3.33Å; K568-E570 HydrophobicContact CB-CG 4.2Å |
| 569 | G | 82.3 | Confident | 87.6 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 82.5 | 4.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q565 N566 | Q565-G569 VanDerWaalsContact CG-C 3.48Å; Q565-G569 WeakPolarHBondContact CG-O 3.45Å; Q565-G569 PolarHBondContact NE2-O 3.11Å; N566-G569 PolarHBondContact O-N 2.85Å; N566-G569 PolarHBondContact OD1-N 2.91Å |
| 570 | E | 86.3 | Confident | 87.4 | Confident | 111 Ų | 111 | 51.3 Ų | 51.3 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | trans | -82.4 | 125.2 | 178.9 | -54 | 170.7 | 123 | 0 | 0 | 110.1 | Q565 N566 K568 I572 | Q565-E570 CarbonylContact C-O 3.56Å; Q565-E570 WeakPolarHBondContact CA-O 3.17Å; N566-E570 PolarHBondContact N-O 3.34Å; N566-E570 PolarHBondContact ND2-OE2 3.08Å; N566-E570 WeakPolarHBondContact OD1-CB 3.49Å; N566-E570 PolarHBondContact OD1-N 3.24Å; N566-E570 PolarHBondContact OD1-O 2.86Å; K568-E570 VanDerWaalsContact C-N 3.33Å; K568-E570 HydrophobicContact CB-CG 4.2Å; E570-I572 PolarHBondContact O-N 2.81Å | ||
| 571 | F | 89.5 | Confident | 86.9 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 23% | 0.232 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 108 | 173 | -79.2 | -85.7 | 0 | 0 | 0 | 110.9 | Y532 A563 L564 Q565 H618 | Y532-F571 HydrophobicContact CD1-CD1 4.32Å; Y532-F571 AromaticContact CD1-CE1 3.48Å; Y532-F571 HydrophobicContact CD1-CE1 3.48Å; Y532-F571 VanDerWaalsContact CD1-CE1 3.48Å; Y532-F571 AromaticContact CD1-CZ 3.63Å; Y532-F571 HydrophobicContact CD1-CZ 3.63Å; Y532-F571 HydrophobicContact CD2-CE2 4.37Å; Y532-F571 HydrophobicContact CD2-CZ 4.03Å; Y532-F571 HydrophobicContact CE1-CD1 4.02Å; Y532-F571 AromaticContact CE1-CE1 3.64Å; Y532-F571 HydrophobicContact CE1-CE1 3.64Å; Y532-F571 AromaticContact CE1-CZ 3.96Å; Y532-F571 HydrophobicContact CE1-CZ 3.96Å; Y532-F571 HydrophobicContact CE2-CE2 4.42Å; Y532-F571 HydrophobicContact CE2-CZ 4.35Å; Y532-F571 HydrophobicContact CG-CE1 4.03Å; Y532-F571 HydrophobicContact CG-CE2 4.44Å; Y532-F571 AromaticContact CG-CZ 3.66Å; Y532-F571 HydrophobicContact CG-CZ 3.66Å; A563-F571 HydrophobicContact CB-CD1 4.14Å; A563-F571 HydrophobicContact CB-CE1 4.13Å; L564-F571 CarbonylContact O-C 3.58Å; L564-F571 WeakPolarHBondContact O-CA 3.22Å; Q565-F571 HydrophobicContact CB-CD1 3.96Å; Q565-F571 HydrophobicContact CB-CE1 3.96Å; Q565-F571 HydrophobicContact CB-CG 4.35Å; Q565-F571 HydrophobicContact CB-CZ 4.34Å; Q565-F571 HydrophobicContact CG-CD1 4.41Å; Q565-F571 HydrophobicContact CG-CD2 4.29Å; Q565-F571 HydrophobicContact CG-CE1 4.42Å; Q565-F571 HydrophobicContact CG-CE2 4.32Å; Q565-F571 HydrophobicContact CG-CG 4.34Å; Q565-F571 HydrophobicContact CG-CZ 4.38Å; F571-H618 HydrophobicContact CE1-CB 4.38Å |
| 572 | I | 88.4 | Confident | 86.4 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 30% | 0.303 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -17.7 | 176.7 | 63.3 | 171.3 | 0 | 0 | 0 | 112.8 | L564 N566 E570 I586 V588 L615 | L564-I572 HydrophobicContact CB-CD1 4.16Å; L564-I572 HydrophobicContact CB-CG1 3.73Å; L564-I572 WeakPolarHBondContact O-CG1 3.2Å; L564-I572 PolarHBondContact O-N 3.09Å; N566-I572 HydrophobicContact CB-CG2 4.22Å; E570-I572 PolarHBondContact O-N 2.81Å; I572-I586 HydrophobicContact CB-CG2 4.48Å; I572-I586 HydrophobicContact CD1-CG2 3.94Å; I572-I586 HydrophobicContact CG1-CG2 4.28Å; I572-V588 HydrophobicContact CD1-CG1 3.68Å; I572-L615 HydrophobicContact CD1-CD2 3.75Å |
| 573 | L | 91.3 | Very high | 85.6 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.8 | 170.3 | 175.1 | 66.4 | 0 | 0 | 0 | 110.3 | L564 G575 I586 Y595 L605 | L564-L573 HydrophobicContact CB-CB 3.99Å; L564-L573 HydrophobicContact CD1-CD2 4.39Å; L564-L573 HydrophobicContact CG-CB 4.43Å; L564-L573 HydrophobicContact CG-CD2 4.36Å; L564-L573 PolarHBondContact N-O 3.2Å; L564-L573 PolarHBondContact O-N 2.97Å; L564-L573 VanDerWaalsContact O-N 3.16Å; L573-G575 PolarHBondContact O-N 2.8Å; L573-I586 HydrophobicContact CB-CD1 3.99Å; L573-I586 HydrophobicContact CD1-CD1 4.1Å; L573-I586 HydrophobicContact CD2-CD1 3.86Å; L573-I586 HydrophobicContact CG-CD1 4.19Å; L573-Y595 HydrophobicContact CD1-CD1 3.81Å; L573-Y595 HydrophobicContact CD1-CD2 4.45Å; L573-Y595 HydrophobicContact CD1-CE1 3.76Å; L573-Y595 HydrophobicContact CD1-CE2 4.38Å; L573-Y595 HydrophobicContact CD1-CG 4.15Å; L573-Y595 HydrophobicContact CD2-CD2 3.82Å; L573-Y595 HydrophobicContact CD2-CE2 3.93Å; L573-Y595 HydrophobicContact CD2-CG 4.15Å; L573-L605 HydrophobicContact CD2-CD1 4.47Å; L573-L605 HydrophobicContact CD2-CD2 3.67Å |
| 574 | N | 88.6 | Confident | 84.8 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 51.8 | 35.3 | 172.6 | -66.3 | -12.3 | 0 | 0 | 0 | 115.1 | Y532 L562 A563 Q578 S580 Y595 | Y532-N574 VanDerWaalsContact CE1-O 3.31Å; Y532-N574 WeakPolarHBondContact CE1-O 3.19Å; Y532-N574 PolarHBondContact OH-O 3.12Å; L562-N574 WeakPolarHBondContact O-CB 3.31Å; L562-N574 PolarHBondContact O-ND2 2.77Å; A563-N574 HydrophobicContact CB-CB 4.03Å; N574-Q578 CarbonylContact C-O 3.58Å; N574-Q578 WeakPolarHBondContact CA-O 3.36Å; N574-S580 WeakPolarHBondContact OD1-CB 3.18Å; N574-S580 PolarHBondContact OD1-N 3.09Å; N574-Y595 PolarHBondContact ND2-OH 3.18Å |
| 575 | G | 84.4 | Confident | 84 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | trans | -78 | 166.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y532 L573 F577 Q578 | Y532-G575 VanDerWaalsContact OH-CA 3.26Å; Y532-G575 WeakPolarHBondContact OH-CA 3.01Å; L573-G575 PolarHBondContact O-N 2.8Å; G575-F577 PolarHBondContact O-N 2.89Å; G575-Q578 WeakPolarHBondContact O-CB 3.39Å; G575-Q578 PolarHBondContact O-N 3.37Å | ||
| 576 | H | 83.7 | Confident | 83.5 | Confident | 159 Ų | 159 | 72.7 Ų | 72.7 | 74% | 0.736 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 32.6 | 177.4 | -54.2 | 91.6 | 0 | 0 | 0 | 114.5 | Y532 Q578 | Y532-H576 PolarHBondContact OH-N 2.98Å; Y532-H576 VanDerWaalsContact OH-N 3.13Å; H576-Q578 PolarHBondContact O-N 3.07Å |
| 577 | F | 81.4 | Confident | 82.9 | Confident | 110 Ų | 110 | 75.4 Ų | 75.4 | 48% | 0.482 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 21 | -173.3 | -60.7 | -103.3 | 0 | 0 | 0 | 114.2 | Y530 Y532 G575 L620 V622 | Y530-F577 AromaticContact CE1-CE1 3.92Å; Y530-F577 HydrophobicContact CE1-CE1 3.92Å; Y532-F577 HydrophobicContact CD2-CZ 4.46Å; Y532-F577 HydrophobicContact CE2-CD2 4.15Å; Y532-F577 HydrophobicContact CE2-CE2 4.02Å; Y532-F577 HydrophobicContact CE2-CZ 4.27Å; Y532-F577 PolarHBondContact OH-N 3.19Å; G575-F577 PolarHBondContact O-N 2.89Å; F577-L620 HydrophobicContact CD1-CD1 3.85Å; F577-L620 HydrophobicContact CE1-CD1 4.02Å; F577-V622 HydrophobicContact CD1-CG1 3.82Å; F577-V622 HydrophobicContact CE1-CG1 4.13Å |
| 578 | Q | 79.3 | Confident | 82.7 | Confident | 147 Ų | 147 | 72.6 Ų | 72.6 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | trans | -104.1 | 120.2 | 177.6 | -60.6 | -175.3 | 0.2 | 0 | 0 | 110.7 | N574 G575 H576 | N574-Q578 CarbonylContact C-O 3.58Å; N574-Q578 WeakPolarHBondContact CA-O 3.36Å; G575-Q578 WeakPolarHBondContact O-CB 3.39Å; G575-Q578 PolarHBondContact O-N 3.37Å; H576-Q578 PolarHBondContact O-N 3.07Å | ||
| 579 | V | 82.4 | Confident | 82.2 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -101.7 | 133 | -174.7 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | Y561 V581 S598 L620 | Y561-V579 HydrophobicContact CD1-CG1 3.72Å; Y561-V579 HydrophobicContact CD2-CB 4.41Å; Y561-V579 HydrophobicContact CD2-CG1 4.08Å; Y561-V579 HydrophobicContact CD2-CG2 3.49Å; Y561-V579 VanDerWaalsContact CD2-CG2 3.49Å; Y561-V579 HydrophobicContact CE1-CG1 4.26Å; Y561-V579 HydrophobicContact CE2-CG2 4.07Å; Y561-V579 HydrophobicContact CG-CB 4.38Å; Y561-V579 HydrophobicContact CG-CG1 3.61Å; Y561-V579 HydrophobicContact CG-CG2 3.79Å; V579-V581 PolarHBondContact O-N 2.53Å; V579-S598 WeakPolarHBondContact CG1-OG 3.4Å; V579-L620 HydrophobicContact CG2-CD2 4Å | ||
| 580 | S | 81.7 | Confident | 81.6 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | trans | -85.7 | 100.8 | 176.3 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | N574 Y582 Q584 Y595 G597 S598 | N574-S580 WeakPolarHBondContact OD1-CB 3.18Å; N574-S580 PolarHBondContact OD1-N 3.09Å; S580-Y582 PolarHBondContact O-N 3.28Å; S580-Y582 PolarHBondContact OG-O 3.03Å; S580-Q584 PolarHBondContact OG-NE2 3.17Å; S580-Y595 WeakPolarHBondContact O-CE1 3.2Å; S580-Y595 PolarHBondContact O-OH 3.22Å; S580-Y595 VanDerWaalsContact O-OH 3.13Å; S580-G597 WeakPolarHBondContact O-CA 2.98Å; S580-S598 PolarHBondContact O-N 3.25Å; S580-S598 VanDerWaalsContact O-N 3.12Å | ||
| 581 | V | 79.1 | Confident | 81.4 | Confident | 88 Ų | 88 | 64.5 Ų | 64.5 | 53% | 0.533 | 34% | 0.342 | S | S | . | . | trans | -62.4 | -27 | 179.9 | -172.3 | 0 | 0 | 0 | 0 | 113.4 | V579 S598 D599 | V579-V581 PolarHBondContact O-N 2.53Å; V581-S598 PolarHBondContact O-N 2.71Å; V581-D599 HydrophobicContact CG1-CB 3.84Å; V581-D599 PolarHBondContact O-N 3.34Å | ||
| 582 | Y | 79.8 | Confident | 80.9 | Confident | 157 Ų | 157 | 63.2 Ų | 63.2 | 62% | 0.616 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -112 | 160.3 | -174.5 | 57.8 | -91.8 | 0 | 0 | 0 | 113 | S580 Q584 G597 | S580-Y582 PolarHBondContact O-N 3.28Å; S580-Y582 PolarHBondContact OG-O 3.03Å; Y582-Q584 HydrophobicContact CD2-CG 4.03Å; Y582-Q584 HydrophobicContact CE2-CG 3.84Å; Y582-G597 WeakPolarHBondContact O-CA 3.35Å |
| 583 | S | 77.3 | Confident | 80.8 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | trans | -67.6 | 144.3 | -179 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | Y595 S596 | S583-Y595 CarbonylContact C-O 3.44Å; S583-Y595 WeakPolarHBondContact CA-O 3.28Å; S583-Y595 WeakPolarHBondContact CB-O 3.3Å; S583-S596 WeakPolarHBondContact CB-O 3.15Å | ||
| 584 | Q | 76.9 | Confident | 80.6 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 153.2 | -176.6 | -58.6 | -160.4 | 22.2 | 0 | 0 | 112.7 | S580 Y582 Y595 | S580-Q584 PolarHBondContact OG-NE2 3.17Å; Y582-Q584 HydrophobicContact CD2-CG 4.03Å; Y582-Q584 HydrophobicContact CE2-CG 3.84Å; Q584-Y595 HydrophobicContact CB-CD1 4.41Å; Q584-Y595 PolarHBondContact N-O 3.02Å; Q584-Y595 PolarHBondContact O-N 3.22Å |
| 585 | E | 77.5 | Confident | 80.7 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.7 | 166 | -75.2 | 174.6 | -159.9 | 0 | 0 | 108.6 | N443 V592 | N443-E585 PolarHBondContact ND2-OE1 3.04Å; N443-E585 PolarHBondContact ND2-OE2 2.92Å; E585-V592 HydrophobicContact CB-CG1 3.85Å; E585-V592 HydrophobicContact CG-CG1 4.11Å |
| 586 | I | 83.6 | Confident | 80.8 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 115.6 | -179.4 | -54 | 158.2 | 0 | 0 | 0 | 108.1 | L564 I572 L573 V588 V592 I593 L605 | L564-I586 HydrophobicContact CD1-CD1 4.23Å; I572-I586 HydrophobicContact CB-CG2 4.48Å; I572-I586 HydrophobicContact CD1-CG2 3.94Å; I572-I586 HydrophobicContact CG1-CG2 4.28Å; L573-I586 HydrophobicContact CB-CD1 3.99Å; L573-I586 HydrophobicContact CD1-CD1 4.1Å; L573-I586 HydrophobicContact CD2-CD1 3.86Å; L573-I586 HydrophobicContact CG-CD1 4.19Å; I586-V588 HydrophobicContact CG2-CG1 4.37Å; I586-V592 CarbonylContact O-C 3.56Å; I586-V592 VanDerWaalsContact O-CA 3.27Å; I586-V592 WeakPolarHBondContact O-CA 3.13Å; I586-I593 HydrophobicContact CB-CB 4.38Å; I586-I593 PolarHBondContact N-O 3.36Å; I586-I593 PolarHBondContact O-N 3.24Å; I586-L605 HydrophobicContact CD1-CD2 4.12Å |
| 587 | A | 77 | Confident | 80.9 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V592 | A587-V592 HydrophobicContact CB-CG2 4.2Å |
| 588 | V | 80.6 | Confident | 81.1 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | trans | -126.5 | 166.2 | 177.3 | -63.6 | 0 | 0 | 0 | 0 | 109.1 | I572 I586 G590 S591 I593 I611 E613 L615 | I572-V588 HydrophobicContact CD1-CG1 3.68Å; I586-V588 HydrophobicContact CG2-CG1 4.37Å; V588-G590 PolarHBondContact O-N 3.06Å; V588-S591 WeakPolarHBondContact CG2-O 3.33Å; V588-S591 PolarHBondContact N-O 3.15Å; V588-S591 PolarHBondContact O-N 3.43Å; V588-I593 HydrophobicContact CG1-CD1 4.35Å; V588-I593 HydrophobicContact CG2-CD1 4.5Å; V588-I593 HydrophobicContact CG2-CG1 4.42Å; V588-I611 HydrophobicContact CG2-CG2 4.03Å; V588-E613 VanDerWaalsContact CA-OE1 3.26Å; V588-E613 WeakPolarHBondContact CA-OE1 3.36Å; V588-E613 WeakPolarHBondContact CB-OE1 3.38Å; V588-L615 HydrophobicContact CB-CD1 4.47Å; V588-L615 HydrophobicContact CG1-CD1 3.95Å; V588-L615 HydrophobicContact CG1-CD2 4.32Å | ||
| 589 | L | 75.7 | Confident | 81.2 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 56% | 0.555 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -61.2 | 131.8 | 173.6 | -62.3 | -176 | 0 | 0 | 0 | 109.6 | S591 M612 E613 | L589-S591 VanDerWaalsContact C-N 3.26Å; L589-S591 PolarHBondContact O-N 2.97Å; L589-S591 VanDerWaalsContact O-N 3.16Å; L589-M612 HydrophobicContact CB-CB 4.04Å; L589-M612 PolarHBondContact O-N 2.89Å; L589-E613 HydrophobicContact CB-CB 4.16Å; L589-E613 HydrophobicContact CB-CG 4.13Å; L589-E613 HydrophobicContact CD1-CB 4.21Å; L589-E613 HydrophobicContact CG-CB 4.41Å; L589-E613 HydrophobicContact CG-CG 4.42Å; L589-E613 PolarHBondContact N-OE1 2.74Å |
| 590 | G | 70.2 | Confident | 81.1 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 79.8 | -32.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | V588 | V588-G590 PolarHBondContact O-N 3.06Š|
| 591 | S | 81.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | trans | -140.5 | -179.5 | -168 | -160.1 | 0 | 0 | 0 | 0 | 115.4 | V588 L589 S607 R609 | V588-S591 WeakPolarHBondContact CG2-O 3.33Å; V588-S591 PolarHBondContact N-O 3.15Å; V588-S591 PolarHBondContact O-N 3.43Å; L589-S591 VanDerWaalsContact C-N 3.26Å; L589-S591 PolarHBondContact O-N 2.97Å; L589-S591 VanDerWaalsContact O-N 3.16Å; S591-S607 PolarHBondContact OG-OG 3.35Å; S591-R609 WeakPolarHBondContact OG-CB 3.22Å; S591-R609 PolarHBondContact OG-O 2.81Å | ||
| 592 | V | 77.6 | Confident | 81.5 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.3 | 160 | 151.6 | 0 | 0 | 0 | 0 | 108.2 | Y479 E585 I586 A587 | Y479-V592 HydrophobicContact CD2-CB 4.26Å; Y479-V592 HydrophobicContact CD2-CG2 4.17Å; Y479-V592 HydrophobicContact CE2-CB 3.89Å; Y479-V592 HydrophobicContact CE2-CG2 3.34Å; E585-V592 HydrophobicContact CB-CG1 3.85Å; E585-V592 HydrophobicContact CG-CG1 4.11Å; I586-V592 CarbonylContact O-C 3.56Å; I586-V592 VanDerWaalsContact O-CA 3.27Å; I586-V592 WeakPolarHBondContact O-CA 3.13Å; A587-V592 HydrophobicContact CB-CG2 4.2Å |
| 593 | I | 87.2 | Confident | 82 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 119.1 | 170.5 | -58.8 | 169.5 | 0 | 0 | 0 | 107.7 | L564 I586 V588 L605 N606 L615 | L564-I593 HydrophobicContact CD1-CD1 3.76Å; L564-I593 HydrophobicContact CD1-CG2 4.43Å; I586-I593 HydrophobicContact CB-CB 4.38Å; I586-I593 PolarHBondContact N-O 3.36Å; I586-I593 PolarHBondContact O-N 3.24Å; V588-I593 HydrophobicContact CG1-CD1 4.35Å; V588-I593 HydrophobicContact CG2-CD1 4.5Å; V588-I593 HydrophobicContact CG2-CG1 4.42Å; I593-L605 HydrophobicContact CG2-CB 3.77Å; I593-L605 HydrophobicContact CG2-CD2 3.7Å; I593-L605 HydrophobicContact CG2-CG 4.32Å; I593-N606 CarbonylContact C-O 3.59Å; I593-N606 WeakPolarHBondContact CA-O 3.24Å; I593-L615 HydrophobicContact CD1-CD1 3.61Å |
| 594 | E | 86.4 | Confident | 82.8 | Confident | 119 Ų | 119 | 46.2 Ų | 46.2 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.7 | 172 | -176.2 | 171.4 | -148.6 | 0 | 0 | 109.2 | L605 N606 | E594-L605 CarbonylContact O-C 3.51Å; E594-L605 WeakPolarHBondContact O-CA 3.41Å; E594-N606 PolarHBondContact N-O 2.87Å; E594-N606 PolarHBondContact O-N 3.26Å |
| 595 | Y | 91.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134 | -178.5 | 169.8 | -116.5 | 0 | 0 | 0 | 110.4 | L573 N574 S580 S583 Q584 G597 S598 E603 R604 L605 | L573-Y595 HydrophobicContact CD1-CD1 3.81Å; L573-Y595 HydrophobicContact CD1-CD2 4.45Å; L573-Y595 HydrophobicContact CD1-CE1 3.76Å; L573-Y595 HydrophobicContact CD1-CE2 4.38Å; L573-Y595 HydrophobicContact CD1-CG 4.15Å; L573-Y595 HydrophobicContact CD2-CD2 3.82Å; L573-Y595 HydrophobicContact CD2-CE2 3.93Å; L573-Y595 HydrophobicContact CD2-CG 4.15Å; N574-Y595 PolarHBondContact ND2-OH 3.18Å; S580-Y595 WeakPolarHBondContact O-CE1 3.2Å; S580-Y595 PolarHBondContact O-OH 3.22Å; S580-Y595 VanDerWaalsContact O-OH 3.13Å; S583-Y595 CarbonylContact C-O 3.44Å; S583-Y595 WeakPolarHBondContact CA-O 3.28Å; S583-Y595 WeakPolarHBondContact CB-O 3.3Å; Q584-Y595 HydrophobicContact CB-CD1 4.41Å; Q584-Y595 PolarHBondContact N-O 3.02Å; Q584-Y595 PolarHBondContact O-N 3.22Å; Y595-G597 PolarHBondContact O-N 2.97Å; Y595-S598 PolarHBondContact OH-N 3.5Å; Y595-E603 HydrophobicContact CD2-CG 4.47Å; Y595-E603 HydrophobicContact CE2-CG 3.56Å; Y595-E603 VanDerWaalsContact CE2-OE1 3.24Å; Y595-E603 WeakPolarHBondContact CE2-OE1 3.31Å; Y595-E603 VanDerWaalsContact CZ-OE1 3.26Å; Y595-E603 PolarHBondContact OH-OE1 2.84Å; Y595-R604 CarbonylContact C-O 3.2Å; Y595-R604 WeakPolarHBondContact CA-O 3.34Å; Y595-L605 HydrophobicContact CD2-CD2 3.53Å; Y595-L605 HydrophobicContact CD2-CG 4.28Å; Y595-L605 HydrophobicContact CG-CD2 4.04Å |
| 596 | S | 86.2 | Confident | 84.2 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -73.5 | -22.7 | -176.1 | 67.3 | 0 | 0 | 0 | 0 | 115.3 | S583 E603 R604 | S583-S596 WeakPolarHBondContact CB-O 3.15Å; S596-E603 WeakPolarHBondContact OG-CA 3.22Å; S596-R604 PolarHBondContact N-O 3.19Å; S596-R604 PolarHBondContact OG-N 2.89Å | ||
| 597 | G | 85.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | 85.3 | 151.1 | -162.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S580 Y582 Y595 D599 S600 | S580-G597 WeakPolarHBondContact O-CA 2.98Å; Y582-G597 WeakPolarHBondContact O-CA 3.35Å; Y595-G597 PolarHBondContact O-N 2.97Å; G597-D599 VanDerWaalsContact C-N 3.3Å; G597-D599 PolarHBondContact O-N 3.38Å; G597-S600 PolarHBondContact O-N 3.01Å | ||
| 598 | S | 84.7 | Confident | 84.3 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -5.1 | -179.1 | 73.4 | 0 | 0 | 0 | 0 | 115.2 | V579 S580 V581 Y595 S600 | V579-S598 WeakPolarHBondContact CG1-OG 3.4Å; S580-S598 PolarHBondContact O-N 3.25Å; S580-S598 VanDerWaalsContact O-N 3.12Å; V581-S598 PolarHBondContact O-N 2.71Å; Y595-S598 PolarHBondContact OH-N 3.5Å; S598-S600 PolarHBondContact O-N 3.39Å |
| 599 | D | 82.4 | Confident | 84.3 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 23.7 | 167 | -168.2 | 30.4 | 0 | 0 | 0 | 112.4 | K556 V581 G597 | K556-D599 WeakPolarHBondContact CD-OD1 3.49Å; K556-D599 WeakPolarHBondContact CE-O 3.44Å; K556-D599 VanDerWaalsContact NZ-CG 3.34Å; K556-D599 PolarHBondContact NZ-O 3.06Å; K556-D599 IonicContact NZ-OD1 2.63Å; K556-D599 PolarHBondContact NZ-OD1 3.02Å; K556-D599 IonicContact NZ-OD2 2.71Å; V581-D599 HydrophobicContact CG1-CB 3.84Å; V581-D599 PolarHBondContact O-N 3.34Å; G597-D599 VanDerWaalsContact C-N 3.3Å; G597-D599 PolarHBondContact O-N 3.38Å |
| 600 | S | 81 | Confident | 84.6 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -98.8 | 152.8 | 169.2 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | G597 S598 I602 | G597-S600 PolarHBondContact O-N 3.01Å; S598-S600 PolarHBondContact O-N 3.39Å; S600-I602 VanDerWaalsContact C-N 3.26Å; S600-I602 VanDerWaalsContact CB-O 3.28Å; S600-I602 WeakPolarHBondContact CB-O 3.44Å; S600-I602 VanDerWaalsContact OG-C 3.23Å; S600-I602 PolarHBondContact OG-N 3.27Å; S600-I602 VanDerWaalsContact OG-N 3.13Å; S600-I602 PolarHBondContact OG-O 3.14Å |
| 601 | F | 83.5 | Confident | 85.5 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 27% | 0.268 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -76.9 | -18.6 | 164.8 | -72.5 | -64.1 | 0 | 0 | 0 | 112.6 | A551 G554 K556 Y1242 | A551-F601 HydrophobicContact CB-CD1 4.46Å; A551-F601 WeakPolarHBondContact CB-O 3.38Å; A551-F601 PolarHBondContact N-O 3.16Å; A551-F601 VanDerWaalsContact N-O 3.11Å; G554-F601 WeakPolarHBondContact O-CD1 3.09Å; G554-F601 WeakPolarHBondContact O-CE1 3.33Å; K556-F601 HydrophobicContact CD-CE1 4.41Å; K556-F601 HydrophobicContact CG-CD1 3.54Å; K556-F601 HydrophobicContact CG-CE1 3.5Å; K556-F601 VanDerWaalsContact CG-CE1 3.5Å; K556-F601 HydrophobicContact CG-CG 4.22Å; K556-F601 HydrophobicContact CG-CZ 4.16Å; F601-Y1242 HydrophobicContact CD2-CD2 4.4Å; F601-Y1242 HydrophobicContact CD2-CE2 4Å; F601-Y1242 AromaticContact CE2-CD2 3.9Å; F601-Y1242 HydrophobicContact CE2-CD2 3.9Å; F601-Y1242 AromaticContact CE2-CE2 3.57Å; F601-Y1242 HydrophobicContact CE2-CE2 3.57Å |
| 602 | I | 84.7 | Confident | 85.4 | Confident | 72 Ų | 72 | 44.1 Ų | 44.1 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 95.3 | 171.8 | -57.4 | 178.5 | 0 | 0 | 0 | 106.2 | Q548 Q549 V550 S600 R604 | Q548-I602 HydrophobicContact CB-CG2 3.72Å; Q548-I602 HydrophobicContact CG-CG2 3.79Å; Q549-I602 CarbonylContact O-C 3.55Å; Q549-I602 WeakPolarHBondContact O-CA 3.44Å; Q549-I602 WeakPolarHBondContact O-CG2 3.47Å; V550-I602 HydrophobicContact CG2-CG1 4.44Å; S600-I602 VanDerWaalsContact C-N 3.26Å; S600-I602 VanDerWaalsContact CB-O 3.28Å; S600-I602 WeakPolarHBondContact CB-O 3.44Å; S600-I602 VanDerWaalsContact OG-C 3.23Å; S600-I602 PolarHBondContact OG-N 3.27Å; S600-I602 VanDerWaalsContact OG-N 3.13Å; S600-I602 PolarHBondContact OG-O 3.14Å; I602-R604 PolarHBondContact O-N 2.9Å |
| 603 | E | 90.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 118.4 | 176.9 | -177.9 | -172.1 | -146 | 0 | 0 | 108.8 | Q548 Q549 Y561 L562 Y595 S596 | Q548-E603 CarbonylContact C-O 3.58Å; Q548-E603 WeakPolarHBondContact CA-O 3.45Å; Q549-E603 HydrophobicContact CB-CB 4.18Å; Q549-E603 PolarHBondContact N-O 3.12Å; Q549-E603 PolarHBondContact O-N 3.31Å; Q549-E603 VanDerWaalsContact O-N 3.08Å; Q549-E603 VanDerWaalsContact OE1-CB 3.24Å; Y561-E603 WeakPolarHBondContact CA-OE2 3.35Å; L562-E603 HydrophobicContact CB-CG 4.44Å; L562-E603 HydrophobicContact CD1-CG 4.22Å; L562-E603 VanDerWaalsContact CD1-O 3.29Å; L562-E603 WeakPolarHBondContact CD1-O 3.37Å; L562-E603 HydrophobicContact CG-CG 4.29Å; L562-E603 WeakPolarHBondContact CG-OE2 3.3Å; L562-E603 PolarHBondContact N-OE2 3.36Å; Y595-E603 HydrophobicContact CD2-CG 4.47Å; Y595-E603 HydrophobicContact CE2-CG 3.56Å; Y595-E603 VanDerWaalsContact CE2-OE1 3.24Å; Y595-E603 WeakPolarHBondContact CE2-OE1 3.31Å; Y595-E603 VanDerWaalsContact CZ-OE1 3.26Å; Y595-E603 PolarHBondContact OH-OE1 2.84Å; S596-E603 WeakPolarHBondContact OG-CA 3.22Å |
| 604 | R | 94 | Very high | 85.7 | Confident | 102 Ų | 102 | 46.4 Ų | 46.4 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.2 | -166.1 | -167 | 170.5 | -168.4 | 174.6 | 3.7 | 112.9 | D546 I547 Q548 Y595 S596 I602 | D546-R604 IonicContact OD1-CZ 2.95Å; D546-R604 VanDerWaalsContact OD1-CZ 3.24Å; D546-R604 IonicContact OD1-NE 2.73Å; D546-R604 PolarHBondContact OD1-NE 2.98Å; D546-R604 IonicContact OD1-NH2 3.78Å; D546-R604 PolarHBondContact OD1-NH2 3.45Å; D546-R604 IonicContact OD2-CZ 3.34Å; D546-R604 IonicContact OD2-NE 2.71Å; D546-R604 IonicContact OD2-NH2 3.65Å; D546-R604 PolarHBondContact OD2-NH2 3.1Å; I547-R604 CarbonylContact O-C 3.47Å; I547-R604 WeakPolarHBondContact O-CA 3.35Å; I547-R604 WeakPolarHBondContact O-CG 3.14Å; Q548-R604 HydrophobicContact CG-CB 4.31Å; Q548-R604 HydrophobicContact CG-CG 3.74Å; Y595-R604 CarbonylContact C-O 3.2Å; Y595-R604 WeakPolarHBondContact CA-O 3.34Å; S596-R604 PolarHBondContact N-O 3.19Å; S596-R604 PolarHBondContact OG-N 2.89Å; I602-R604 PolarHBondContact O-N 2.9Å |
| 605 | L | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.8 | 166.4 | -61.8 | 164.2 | 0 | 0 | 0 | 109 | I547 L562 L564 L573 I586 I593 E594 Y595 L617 | I547-L605 HydrophobicContact CB-CB 4.17Å; I547-L605 HydrophobicContact CB-CD1 4.48Å; I547-L605 HydrophobicContact CD1-CB 4.26Å; I547-L605 HydrophobicContact CD1-CD1 4.09Å; I547-L605 PolarHBondContact N-O 2.76Å; I547-L605 PolarHBondContact O-N 2.04Å; L562-L605 HydrophobicContact CB-CD1 4.26Å; L562-L605 HydrophobicContact CD1-CD1 3.98Å; L562-L605 HydrophobicContact CD1-CG 4.04Å; L564-L605 HydrophobicContact CD1-CD1 4Å; L564-L605 HydrophobicContact CD1-CD2 4.16Å; L564-L605 HydrophobicContact CD2-CD1 4.17Å; L564-L605 HydrophobicContact CG-CD1 4.03Å; L573-L605 HydrophobicContact CD2-CD1 4.47Å; L573-L605 HydrophobicContact CD2-CD2 3.67Å; I586-L605 HydrophobicContact CD1-CD2 4.12Å; I593-L605 HydrophobicContact CG2-CB 3.77Å; I593-L605 HydrophobicContact CG2-CD2 3.7Å; I593-L605 HydrophobicContact CG2-CG 4.32Å; E594-L605 CarbonylContact O-C 3.51Å; E594-L605 WeakPolarHBondContact O-CA 3.41Å; Y595-L605 HydrophobicContact CD2-CD2 3.53Å; Y595-L605 HydrophobicContact CD2-CG 4.28Å; Y595-L605 HydrophobicContact CG-CD2 4.04Å; L605-L617 HydrophobicContact CD1-CD1 3.9Å |
| 606 | N | 90.1 | Very high | 86.1 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 130.8 | -176.9 | -175 | 7 | 0 | 0 | 0 | 111.7 | I545 I593 E594 | I545-N606 CarbonylContact O-C 3.53Å; I545-N606 VanDerWaalsContact O-CA 3.25Å; I545-N606 WeakPolarHBondContact O-CA 3.39Å; I593-N606 CarbonylContact C-O 3.59Å; I593-N606 WeakPolarHBondContact CA-O 3.24Å; E594-N606 PolarHBondContact N-O 2.87Å; E594-N606 PolarHBondContact O-N 3.26Å |
| 607 | S | 87.1 | Confident | 86.5 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 117.5 | 173.6 | 166.8 | 0 | 0 | 0 | 0 | 112.5 | N544 I545 S591 R609 | N544-S607 CarbonylContact C-O 3.58Å; N544-S607 WeakPolarHBondContact CA-O 3.09Å; N544-S607 PolarHBondContact N-O 3.02Å; I545-S607 PolarHBondContact N-O 3.32Å; I545-S607 PolarHBondContact O-N 2.89Å; S591-S607 PolarHBondContact OG-OG 3.35Å; S607-R609 PolarHBondContact OG-O 3.43Å |
| 608 | S | 75.2 | Confident | 86.9 | Confident | 87 Ų | 87 | 42.2 Ų | 42.2 | 61% | 0.608 | 22% | 0.215 | S | C | * | . | trans | -85.5 | -18.5 | -180 | 59.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 609 | R | 80.3 | Confident | 87.2 | Confident | 76 Ų | 76 | 41.5 Ų | 41.5 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -96.6 | 150.7 | 176.2 | -69.9 | -176.3 | -179.8 | -140.7 | -0.8 | 111.1 | Y479 S591 S607 | Y479-R609 PolarHBondContact O-NH2 2.86Å; Y479-R609 VanDerWaalsContact O-NH2 3.12Å; S591-R609 WeakPolarHBondContact OG-CB 3.22Å; S591-R609 PolarHBondContact OG-O 2.81Å; S607-R609 PolarHBondContact OG-O 3.43Å |
| 610 | P | 83.6 | Confident | 87.6 | Confident | 42 Ų | 42 | 37.9 Ų | 37.9 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 136.2 | 172.6 | 25.5 | -33.7 | 0 | 0 | 0 | 111.5 | A542 | A542-P610 VanDerWaalsContact O-CA 3.3Å; A542-P610 WeakPolarHBondContact O-CA 3.47Å |
| 611 | I | 87.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 145.2 | 170.7 | 65.2 | -178.2 | 0 | 0 | 0 | 110.8 | L538 P539 G541 A542 I545 V588 E613 L615 | L538-I611 HydrophobicContact CB-CD1 3.81Å; P539-I611 WeakPolarHBondContact O-CG1 3.11Å; G541-I611 PolarHBondContact N-O 3.24Å; A542-I611 HydrophobicContact CB-CD1 4.07Å; A542-I611 HydrophobicContact CB-CG1 4.07Å; A542-I611 PolarHBondContact O-N 2.8Å; I545-I611 HydrophobicContact CD1-CD1 4.25Å; I545-I611 HydrophobicContact CD1-CG2 3.9Å; V588-I611 HydrophobicContact CG2-CG2 4.03Å; I611-E613 WeakPolarHBondContact CD1-O 3.33Å; I611-L615 HydrophobicContact CD1-CD1 4.01Å; I611-L615 HydrophobicContact CD1-CG 4.23Å; I611-L615 HydrophobicContact CG2-CD1 4.46Å |
| 612 | M | 79.7 | Confident | 87.8 | Confident | 98 Ų | 98 | 34.8 Ų | 34.8 | 48% | 0.483 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -110 | 9.3 | 178.7 | -70.4 | 178.8 | 161.6 | 0 | 0 | 113.2 | I409 L589 | I409-M612 HydrophobicContact CD1-CE 4.29Å; L589-M612 HydrophobicContact CB-CB 4.04Å; L589-M612 PolarHBondContact O-N 2.89Å |
| 613 | E | 83.2 | Confident | 87.5 | Confident | 36 Ų | 36 | 33.6 Ų | 33.6 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -134 | 155.3 | 169.1 | 66.4 | -170.7 | 137.3 | 0 | 0 | 110.3 | V588 L589 I611 L615 | V588-E613 VanDerWaalsContact CA-OE1 3.26Å; V588-E613 WeakPolarHBondContact CA-OE1 3.36Å; V588-E613 WeakPolarHBondContact CB-OE1 3.38Å; L589-E613 HydrophobicContact CB-CB 4.16Å; L589-E613 HydrophobicContact CB-CG 4.13Å; L589-E613 HydrophobicContact CD1-CB 4.21Å; L589-E613 HydrophobicContact CG-CB 4.41Å; L589-E613 HydrophobicContact CG-CG 4.42Å; L589-E613 PolarHBondContact N-OE1 2.74Å; I611-E613 WeakPolarHBondContact CD1-O 3.33Å; E613-L615 HydrophobicContact CG-CD2 4.02Å; E613-L615 HydrophobicContact CG-CG 4.44Å |
| 614 | E | 87.5 | Confident | 86.5 | Confident | 40 Ų | 40 | 36.1 Ų | 36.1 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | trans | -76.4 | 134.4 | 175 | -55.7 | -168.3 | 150 | 0 | 0 | 111.1 | K537 V540 S567 F616 H642 | K537-E614 WeakPolarHBondContact CE-OE1 3.29Å; K537-E614 WeakPolarHBondContact CE-OE2 3.47Å; K537-E614 IonicContact NZ-OE1 2.68Å; K537-E614 PolarHBondContact NZ-OE1 2.75Å; K537-E614 IonicContact NZ-OE2 2.68Å; K537-E614 PolarHBondContact NZ-OE2 2.87Å; V540-E614 HydrophobicContact CG2-CG 3.97Å; S567-E614 PolarHBondContact N-O 3.11Å; E614-F616 HydrophobicContact CB-CE2 4.3Å; E614-H642 IonicContact OE1-CE1 3.73Å; E614-H642 PolarHBondContact OE1-CE1 3.26Å; E614-H642 IonicContact OE1-NE2 2.92Å; E614-H642 PolarHBondContact OE1-NE2 2.64Å | ||
| 615 | L | 93.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.9 | 177.9 | -56.8 | 173 | 0 | 0 | 0 | 110.3 | L538 Q565 N566 I572 V588 I593 I611 E613 | L538-L615 HydrophobicContact CB-CB 4.27Å; L538-L615 HydrophobicContact CD1-CB 4.32Å; L538-L615 PolarHBondContact N-O 3.35Å; L538-L615 PolarHBondContact O-N 2.85Å; Q565-L615 CarbonylContact O-C 3.55Å; Q565-L615 WeakPolarHBondContact O-CA 3.28Å; N566-L615 HydrophobicContact CB-CD2 4.36Å; I572-L615 HydrophobicContact CD1-CD2 3.75Å; V588-L615 HydrophobicContact CB-CD1 4.47Å; V588-L615 HydrophobicContact CG1-CD1 3.95Å; V588-L615 HydrophobicContact CG1-CD2 4.32Å; I593-L615 HydrophobicContact CD1-CD1 3.61Å; I611-L615 HydrophobicContact CD1-CD1 4.01Å; I611-L615 HydrophobicContact CD1-CG 4.23Å; I611-L615 HydrophobicContact CG2-CD1 4.46Å; E613-L615 HydrophobicContact CG-CD2 4.02Å; E613-L615 HydrophobicContact CG-CG 4.44Å |
| 616 | F | 94.5 | Very high | 84.8 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 23% | 0.228 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 110.1 | -179 | -60.5 | -100.3 | 0 | 0 | 0 | 108.7 | F534 K537 Q565 E614 H618 | F534-F616 HydrophobicContact CE2-CB 4.21Å; F534-F616 AromaticContact CE2-CD1 3.9Å; F534-F616 HydrophobicContact CE2-CD1 3.9Å; K537-F616 HydrophobicContact CB-CD1 4.41Å; K537-F616 HydrophobicContact CB-CE1 4.44Å; K537-F616 HydrophobicContact CD-CE1 3.94Å; K537-F616 HydrophobicContact CD-CZ 4.2Å; K537-F616 HydrophobicContact CG-CD1 4.46Å; K537-F616 HydrophobicContact CG-CE1 4.17Å; Q565-F616 HydrophobicContact CB-CB 4.33Å; Q565-F616 PolarHBondContact N-O 3.14Å; Q565-F616 VanDerWaalsContact N-O 3.09Å; Q565-F616 PolarHBondContact O-N 3.28Å; E614-F616 HydrophobicContact CB-CE2 4.3Å; F616-H618 PolarHBondContact O-ND1 3.02Å |
| 617 | L | 94.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 127.6 | 176.9 | -177.3 | 67.9 | 0 | 0 | 0 | 109.2 | V535 T536 I547 L562 L564 L605 V630 | V535-L617 HydrophobicContact CB-CB 4.37Å; V535-L617 HydrophobicContact CB-CD2 4.02Å; V535-L617 HydrophobicContact CB-CG 4.01Å; V535-L617 WeakPolarHBondContact CB-O 3.2Å; V535-L617 HydrophobicContact CG1-CD2 3.68Å; V535-L617 HydrophobicContact CG1-CG 4.25Å; V535-L617 PolarHBondContact N-O 3.16Å; T536-L617 HydrophobicContact CG2-CB 4.17Å; T536-L617 HydrophobicContact CG2-CD2 4.08Å; T536-L617 PolarHBondContact N-O 3.23Å; T536-L617 WeakPolarHBondContact O-CB 3.07Å; T536-L617 PolarHBondContact O-N 2.96Å; I547-L617 HydrophobicContact CD1-CD1 4.17Å; I547-L617 HydrophobicContact CD1-CD2 4.01Å; I547-L617 HydrophobicContact CG1-CD2 4.23Å; I547-L617 HydrophobicContact CG2-CD1 4.23Å; I547-L617 HydrophobicContact CG2-CD2 3.62Å; L562-L617 HydrophobicContact CD2-CD1 4.37Å; L564-L617 HydrophobicContact CD2-CB 4.44Å; L564-L617 HydrophobicContact CD2-CD1 3.8Å; L605-L617 HydrophobicContact CD1-CD1 3.9Å; L617-V630 HydrophobicContact CD2-CG1 4.28Å |
| 618 | H | 93.3 | Very high | 84.3 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.5 | 175.8 | -68 | 82.3 | 0 | 0 | 0 | 110.1 | Y532 N533 F534 A563 Q565 F571 F616 | Y532-H618 HydrophobicContact CD1-CB 4.36Å; N533-H618 CarbonylContact O-C 3.44Å; N533-H618 WeakPolarHBondContact O-CA 3.44Å; N533-H618 WeakPolarHBondContact O-CB 3.41Å; F534-H618 AromaticContact CD2-NE2 3.95Å; A563-H618 HydrophobicContact CB-CB 4.17Å; A563-H618 PolarHBondContact N-O 3.25Å; A563-H618 PolarHBondContact O-N 2.92Å; Q565-H618 PolarHBondContact OE1-CE1 2.77Å; F571-H618 HydrophobicContact CE1-CB 4.38Å; F616-H618 PolarHBondContact O-ND1 3.02Å |
| 619 | V | 91.7 | Very high | 85 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.6 | 164.1 | 64.5 | 0 | 0 | 0 | 0 | 109 | Y524 N533 V535 N560 S621 P628 V630 | Y524-V619 HydrophobicContact CD1-CG1 4.12Å; Y524-V619 HydrophobicContact CE1-CG1 3.89Å; N533-V619 HydrophobicContact CB-CG1 3.96Å; N533-V619 PolarHBondContact N-O 3.43Å; N533-V619 PolarHBondContact O-N 2.76Å; V535-V619 HydrophobicContact CG2-CB 4.04Å; V535-V619 HydrophobicContact CG2-CG1 3.84Å; N560-V619 HydrophobicContact CB-CG2 3.73Å; V619-S621 PolarHBondContact O-N 3.15Å; V619-P628 HydrophobicContact CG1-CG 4.46Å; V619-P628 HydrophobicContact CG2-CB 4.32Å; V619-V630 HydrophobicContact CB-CG2 4.21Å; V619-V630 HydrophobicContact CG2-CG2 4.16Å |
| 620 | L | 90.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 100.7 | 177.2 | 175.8 | 60.2 | 0 | 0 | 0 | 108.6 | G531 Y532 N560 Y561 F577 V579 V622 | G531-L620 CarbonylContact O-C 3.46Å; G531-L620 WeakPolarHBondContact O-CA 3.36Å; Y532-L620 HydrophobicContact CD1-CB 3.98Å; Y532-L620 HydrophobicContact CD1-CD1 3.97Å; Y532-L620 HydrophobicContact CD1-CG 4.46Å; Y532-L620 HydrophobicContact CD2-CD1 4.1Å; Y532-L620 HydrophobicContact CE1-CB 3.87Å; Y532-L620 HydrophobicContact CE1-CD1 3.8Å; Y532-L620 HydrophobicContact CE1-CD2 4.01Å; Y532-L620 HydrophobicContact CE1-CG 4.1Å; Y532-L620 HydrophobicContact CE2-CD1 3.93Å; Y532-L620 HydrophobicContact CG-CD1 4.12Å; N560-L620 WeakPolarHBondContact CA-O 3.23Å; Y561-L620 PolarHBondContact N-O 2.81Å; Y561-L620 WeakPolarHBondContact O-CB 3.46Å; Y561-L620 PolarHBondContact O-N 2.88Å; F577-L620 HydrophobicContact CD1-CD1 3.85Å; F577-L620 HydrophobicContact CE1-CD1 4.02Å; V579-L620 HydrophobicContact CG2-CD2 4Å; L620-V622 HydrophobicContact CD1-CG1 3.49Å; L620-V622 VanDerWaalsContact CD1-CG1 3.49Å; L620-V622 HydrophobicContact CD2-CG1 4.5Å; L620-V622 HydrophobicContact CG-CG1 3.79Å; L620-V622 HydrophobicContact CG-CG2 4.12Å |
| 621 | S | 88.1 | Confident | 86 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 112.7 | 176.7 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | H528 G531 N533 D559 N560 V619 | H528-S621 PolarHBondContact ND1-OG 2.83Å; G531-S621 PolarHBondContact N-O 2.78Å; G531-S621 PolarHBondContact O-N 2.87Å; N533-S621 PolarHBondContact ND2-OG 3.33Å; D559-S621 CarbonylContact O-C 3.53Å; D559-S621 VanDerWaalsContact O-CA 3.27Å; D559-S621 WeakPolarHBondContact O-CA 3.15Å; N560-S621 PolarHBondContact OD1-OG 2.92Å; V619-S621 PolarHBondContact O-N 3.15Å |
| 622 | V | 80.5 | Confident | 86.3 | Confident | 33 Ų | 33 | 37.8 Ų | 37.8 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | trans | -141.9 | 87 | -166.5 | -77.8 | 0 | 0 | 0 | 0 | 113.8 | Y530 D559 Y561 F577 L620 | Y530-V622 HydrophobicContact CE2-CB 4.28Å; Y530-V622 HydrophobicContact CE2-CG1 4.09Å; D559-V622 WeakPolarHBondContact CB-O 3.47Å; D559-V622 PolarHBondContact O-N 2.84Å; Y561-V622 HydrophobicContact CD2-CG2 3.98Å; Y561-V622 HydrophobicContact CE2-CG2 3.92Å; F577-V622 HydrophobicContact CD1-CG1 3.82Å; F577-V622 HydrophobicContact CE1-CG1 4.13Å; L620-V622 HydrophobicContact CD1-CG1 3.49Å; L620-V622 VanDerWaalsContact CD1-CG1 3.49Å; L620-V622 HydrophobicContact CD2-CG1 4.5Å; L620-V622 HydrophobicContact CG-CG1 3.79Å; L620-V622 HydrophobicContact CG-CG2 4.12Å | ||
| 623 | G | 78.5 | Confident | 86.9 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 50% | 0.495 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 143.2 | -112.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L625 | G623-L625 PolarHBondContact O-N 3.17Š|
| 624 | G | 68.9 | Low | 87.3 | Confident | 53 Ų | 53 | 34.8 Ų | 34.8 | 55% | 0.546 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -69.6 | -7.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | D559 | D559-G624 PolarHBondContact OD2-N 2.84Š|
| 625 | L | 72.1 | Confident | 87.4 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 36% | 0.361 | 18% | 0.182 | S | C | . | . | trans | 52.4 | 58 | 179.6 | -54.1 | -177.9 | 0 | 0 | 0 | 112 | H528 Y530 G623 | H528-L625 HydrophobicContact CB-CB 3.91Å; H528-L625 HydrophobicContact CB-CD1 4.34Å; H528-L625 HydrophobicContact CB-CD2 4.03Å; H528-L625 HydrophobicContact CB-CG 4.3Å; H528-L625 VanDerWaalsContact CD2-C 3.43Å; H528-L625 PolarHBondContact CD2-O 2.94Å; H528-L625 PolarHBondContact NE2-O 3.4Å; Y530-L625 HydrophobicContact CD2-CD2 4.49Å; G623-L625 PolarHBondContact O-N 3.17Å | ||
| 626 | N | 80.6 | Confident | 86.9 | Confident | 44 Ų | 44 | 34.8 Ų | 34.8 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -92.4 | 134.5 | 179.1 | -53.7 | -81.2 | 0 | 0 | 0 | 111.2 | H528 W552 D558 N560 | H528-N626 PolarHBondContact CE1-O 3.18Å; H528-N626 PolarHBondContact NE2-O 3.11Å; W552-N626 HydrophobicContact CB-CB 3.98Å; W552-N626 HydrophobicContact CD2-CB 4.24Å; W552-N626 HydrophobicContact CG-CB 3.64Å; D558-N626 WeakPolarHBondContact O-CB 3.28Å; D558-N626 PolarHBondContact O-ND2 2.98Å; N560-N626 PolarHBondContact ND2-O 2.85Å; N560-N626 PolarHBondContact OD1-O 2.8Å |
| 627 | M | 80.7 | Confident | 86.1 | Confident | 85 Ų | 85 | 34.2 Ų | 34.2 | 42% | 0.419 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -53.5 | 132 | -171.2 | -67.5 | -166.3 | -54.6 | 0 | 0 | 113.1 | H528 W552 | H528-M627 WeakPolarHBondContact NE2-CA 3.31Å; H528-M627 PolarHBondContact NE2-N 2.94Å; W552-M627 HydrophobicContact CE3-CB 4.1Å; W552-M627 HydrophobicContact CH2-CB 4.3Å; W552-M627 HydrophobicContact CH2-CE 3.66Å; W552-M627 HydrophobicContact CZ3-CB 3.81Å; W552-M627 HydrophobicContact CZ3-CE 3.78Å |
| 628 | P | 85.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 157.4 | 176.8 | 35.2 | -29.6 | 0 | 0 | 0 | 109 | Y524 N525 N560 V619 V630 | Y524-P628 HydrophobicContact CD1-CG 3.97Å; Y524-P628 HydrophobicContact CE1-CG 4.14Å; N525-P628 WeakPolarHBondContact CA-O 3.39Å; N525-P628 PolarHBondContact ND2-O 2.71Å; N560-P628 HydrophobicContact CB-CB 4.46Å; V619-P628 HydrophobicContact CG1-CG 4.46Å; V619-P628 HydrophobicContact CG2-CB 4.32Å; P628-V630 HydrophobicContact CB-CG2 4.22Å |
| 629 | D | 90.2 | Very high | 83.1 | Confident | 31 Ų | 31 | 44 Ų | 44 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | trans | -126.1 | 69.4 | 166.3 | -176.5 | 12.6 | 0 | 0 | 0 | 107.3 | Q549 V550 R631 | Q549-D629 CarbonylContact C-O 3.53Å; Q549-D629 WeakPolarHBondContact CA-O 3.39Å; V550-D629 HydrophobicContact CB-CB 4.07Å; V550-D629 PolarHBondContact N-O 2.81Å; D629-R631 WeakPolarHBondContact OD1-CG 2.84Å; D629-R631 IonicContact OD1-CZ 2.72Å; D629-R631 IonicContact OD1-NE 3.53Å; D629-R631 PolarHBondContact OD1-NE 2.88Å; D629-R631 IonicContact OD1-NH2 3.29Å; D629-R631 PolarHBondContact OD1-NH2 2.87Å; D629-R631 IonicContact OD2-CZ 3.16Å; D629-R631 IonicContact OD2-NE 2.69Å; D629-R631 PolarHBondContact OD2-NE 2.88Å; D629-R631 IonicContact OD2-NH2 2.74Å; D629-R631 PolarHBondContact OD2-NH2 2.86Å | ||
| 630 | V | 91.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.7 | 177.6 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | A523 Y524 V535 I547 Q548 Q549 L562 L617 V619 P628 | A523-V630 CarbonylContact C-O 3.55Å; A523-V630 VanDerWaalsContact CA-O 3.22Å; A523-V630 WeakPolarHBondContact CA-O 3.02Å; Y524-V630 PolarHBondContact N-O 2.82Å; Y524-V630 PolarHBondContact O-N 3.31Å; V535-V630 HydrophobicContact CG1-CG1 3.96Å; I547-V630 HydrophobicContact CG2-CG1 4.04Å; Q548-V630 CarbonylContact O-C 3.53Å; Q548-V630 WeakPolarHBondContact O-CA 3.21Å; Q549-V630 HydrophobicContact CB-CG2 4.11Å; L562-V630 HydrophobicContact CD2-CG1 3.83Å; L562-V630 HydrophobicContact CD2-CG2 3.83Å; L617-V630 HydrophobicContact CD2-CG1 4.28Å; V619-V630 HydrophobicContact CB-CG2 4.21Å; V619-V630 HydrophobicContact CG2-CG2 4.16Å; P628-V630 HydrophobicContact CB-CG2 4.22Å |
| 631 | R | 93.7 | Very high | 78.6 | Confident | 140 Ų | 140 | 51.5 Ų | 51.5 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.3 | 176 | -53.2 | -177.3 | -170.1 | -171.8 | 5.7 | 108.7 | G522 A523 I547 Q548 D629 | G522-R631 WeakPolarHBondContact O-CA 3.02Å; A523-R631 HydrophobicContact CB-CG 4.34Å; I547-R631 CarbonylContact C-O 3.53Å; I547-R631 WeakPolarHBondContact CA-O 3.45Å; Q548-R631 PolarHBondContact N-O 2.94Å; Q548-R631 PolarHBondContact O-N 2.8Å; D629-R631 WeakPolarHBondContact OD1-CG 2.84Å; D629-R631 IonicContact OD1-CZ 2.72Å; D629-R631 IonicContact OD1-NE 3.53Å; D629-R631 PolarHBondContact OD1-NE 2.88Å; D629-R631 IonicContact OD1-NH2 3.29Å; D629-R631 PolarHBondContact OD1-NH2 2.87Å; D629-R631 IonicContact OD2-CZ 3.16Å; D629-R631 IonicContact OD2-NE 2.69Å; D629-R631 PolarHBondContact OD2-NE 2.88Å; D629-R631 IonicContact OD2-NH2 2.74Å; D629-R631 PolarHBondContact OD2-NH2 2.86Å |
| 632 | Y | 94 | Very high | 76.1 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.2 | 179.5 | 58.1 | -99.3 | 0 | 0 | 0 | 111.2 | V520 S521 G522 V535 T536 D546 Y634 | V520-Y632 HydrophobicContact CG1-CE2 4.43Å; S521-Y632 CarbonylContact C-O 3.58Å; S521-Y632 WeakPolarHBondContact CA-O 3.47Å; G522-Y632 PolarHBondContact N-O 3.06Å; G522-Y632 PolarHBondContact O-N 2.86Å; V535-Y632 HydrophobicContact CG1-CD1 3.91Å; V535-Y632 HydrophobicContact CG1-CE1 3.93Å; T536-Y632 HydrophobicContact CG2-CD1 4.14Å; T536-Y632 HydrophobicContact CG2-CD2 4.24Å; T536-Y632 HydrophobicContact CG2-CE1 4.14Å; T536-Y632 HydrophobicContact CG2-CE2 4.23Å; T536-Y632 HydrophobicContact CG2-CG 4.18Å; D546-Y632 CarbonylContact O-C 3.56Å; Y632-Y634 HydrophobicContact CD2-CD1 4.13Å; Y632-Y634 AromaticContact CD2-CE1 3.59Å; Y632-Y634 HydrophobicContact CD2-CE1 3.59Å; Y632-Y634 HydrophobicContact CE2-CE1 4.08Å; Y632-Y634 HydrophobicContact CG-CE1 4.44Å |
| 633 | N | 91.9 | Very high | 73.9 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 129.7 | 175.1 | -175.5 | 26.9 | 0 | 0 | 0 | 108.6 | V520 D546 | V520-N633 CarbonylContact O-C 3.56Å; V520-N633 WeakPolarHBondContact O-CA 3.17Å; D546-N633 PolarHBondContact N-O 2.97Å; D546-N633 PolarHBondContact O-N 2.83Å |
| 634 | Y | 92.3 | Very high | 71.8 | Confident | 8 Ų | 8 | 65 Ų | 65 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 156.8 | 176.8 | 54.4 | -84.7 | 0 | 0 | 0 | 111.2 | V520 T536 K537 L538 A542 Y632 I636 | V520-Y634 HydrophobicContact CB-CD2 4.41Å; V520-Y634 HydrophobicContact CB-CE2 4.13Å; V520-Y634 HydrophobicContact CG1-CE1 4.12Å; V520-Y634 HydrophobicContact CG1-CE2 4.19Å; V520-Y634 PolarHBondContact N-O 2.89Å; V520-Y634 PolarHBondContact O-N 3.26Å; T536-Y634 HydrophobicContact CG2-CE1 4.24Å; T536-Y634 PolarHBondContact OG1-OH 3.08Å; K537-Y634 PolarHBondContact O-OH 3.39Å; K537-Y634 VanDerWaalsContact O-OH 3.06Å; L538-Y634 HydrophobicContact CD2-CD1 3.7Å; L538-Y634 HydrophobicContact CD2-CD2 4.33Å; L538-Y634 HydrophobicContact CD2-CE1 3.53Å; L538-Y634 HydrophobicContact CD2-CE2 4.17Å; L538-Y634 HydrophobicContact CD2-CG 4.12Å; A542-Y634 HydrophobicContact CB-CD2 3.97Å; Y632-Y634 HydrophobicContact CD2-CD1 4.13Å; Y632-Y634 AromaticContact CD2-CE1 3.59Å; Y632-Y634 HydrophobicContact CD2-CE1 3.59Å; Y632-Y634 HydrophobicContact CE2-CE1 4.08Å; Y632-Y634 HydrophobicContact CG-CE1 4.44Å; Y634-I636 HydrophobicContact CD2-CD1 4.28Å; Y634-I636 HydrophobicContact CD2-CG1 3.77Å; Y634-I636 HydrophobicContact CE2-CD1 3.69Å; Y634-I636 HydrophobicContact CE2-CG1 3.7Å |
| 635 | S | 88.3 | Confident | 69.9 | Low | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.2 | 176.8 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | D506 A518 A542 S543 | D506-S635 WeakPolarHBondContact O-CB 3.07Å; D506-S635 PolarHBondContact O-OG 3.01Å; A518-S635 WeakPolarHBondContact O-CA 3.49Å; A542-S635 CarbonylContact C-O 3.58Å; A542-S635 VanDerWaalsContact CA-O 3.29Å; A542-S635 WeakPolarHBondContact CA-O 3.2Å; S543-S635 PolarHBondContact N-O 2.87Å; S543-S635 PolarHBondContact O-N 2.86Å |
| 636 | I | 84.3 | Confident | 67.9 | Low | 40 Ų | 40 | 70.7 Ų | 70.7 | 21% | 0.205 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.6 | 172.1 | -46.8 | 175 | 0 | 0 | 0 | 108.3 | C517 A518 V520 P539 Y634 K638 | C517-I636 CarbonylContact C-O 3.38Å; C517-I636 WeakPolarHBondContact CA-O 3.15Å; C517-I636 WeakPolarHBondContact CB-O 3.26Å; A518-I636 PolarHBondContact N-O 3.23Å; A518-I636 PolarHBondContact O-N 3.02Å; V520-I636 HydrophobicContact CB-CD1 4.18Å; V520-I636 HydrophobicContact CG2-CD1 3.51Å; V520-I636 HydrophobicContact CG2-CG1 4.05Å; P539-I636 HydrophobicContact CG-CD1 3.94Å; P539-I636 HydrophobicContact CG-CG1 4.21Å; P539-I636 HydrophobicContact CG-CG2 4.12Å; Y634-I636 HydrophobicContact CD2-CD1 4.28Å; Y634-I636 HydrophobicContact CD2-CG1 3.77Å; Y634-I636 HydrophobicContact CE2-CD1 3.69Å; Y634-I636 HydrophobicContact CE2-CG1 3.7Å; I636-K638 PolarHBondContact O-N 2.91Å |
| 637 | P | 76.7 | Confident | 65.7 | Low | 39 Ų | 39 | 71.3 Ų | 71.3 | 25% | 0.253 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 138.7 | 170 | -27.8 | 36.4 | 0 | 0 | 0 | 112.2 | T639 V641 | P637-T639 VanDerWaalsContact C-N 3.34Å; P637-T639 WeakPolarHBondContact CB-O 3.35Å; P637-V641 HydrophobicContact CB-CG2 4.36Å; P637-V641 HydrophobicContact CG-CG2 4.09Å |
| 638 | K | 69.9 | Low | 63.9 | Low | 136 Ų | 136 | 68.1 Ų | 68.1 | 59% | 0.591 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -68 | -34.3 | -179.4 | -78.8 | 174.3 | 175.7 | 165.9 | 0 | 112.8 | T515 S516 C517 A518 I636 | T515-K638 WeakPolarHBondContact O-CE 3.38Å; T515-K638 PolarHBondContact O-NZ 2.84Å; S516-K638 WeakPolarHBondContact O-CB 3.48Å; S516-K638 PolarHBondContact O-N 2.85Å; C517-K638 VanDerWaalsContact O-CE 3.27Å; C517-K638 WeakPolarHBondContact O-CE 3.48Å; A518-K638 HydrophobicContact CB-CG 4.21Å; I636-K638 PolarHBondContact O-N 2.91Å |
| 639 | T | 55.3 | Low | 62.2 | Low | 89 Ų | 89 | 73.6 Ų | 73.6 | 55% | 0.546 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -82.8 | 121.6 | 165.7 | 39 | 0 | 0 | 0 | 0 | 108.6 | P637 V641 | P637-T639 VanDerWaalsContact C-N 3.34Å; P637-T639 WeakPolarHBondContact CB-O 3.35Å; T639-V641 PolarHBondContact O-N 3.09Å |
| 640 | P | 45.4 | Very low | 60.9 | Low | 101 Ų | 101 | 74.3 Ų | 74.3 | 66% | 0.656 | 38% | 0.384 | S | S | * | . | trans | -69.6 | 132.1 | -175.7 | 27.5 | -34 | 0 | 0 | 0 | 111.1 | H642 | P640-H642 PolarHBondContact O-N 2.88Š| ||
| 641 | V | 42.8 | Very low | 59.9 | Low | 58 Ų | 58 | 75.8 Ų | 75.8 | 35% | 0.352 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -75.9 | 27.6 | 178.4 | -158.9 | 0 | 0 | 0 | 0 | 112.2 | V540 P637 T639 | V540-V641 HydrophobicContact CG1-CB 4.29Å; V540-V641 HydrophobicContact CG1-CG1 4.11Å; P637-V641 HydrophobicContact CB-CG2 4.36Å; P637-V641 HydrophobicContact CG-CG2 4.09Å; T639-V641 PolarHBondContact O-N 3.09Å |
| 642 | H | 36 | Very low | 59.2 | Low | 101 Ų | 101 | 70.1 Ų | 70.1 | 47% | 0.468 | 38% | 0.375 | S | S | . | . | trans | -119.2 | 46 | -170.6 | -82.9 | -84.1 | 0 | 0 | 0 | 113.3 | E614 P640 | E614-H642 IonicContact OE1-CE1 3.73Å; E614-H642 PolarHBondContact OE1-CE1 3.26Å; E614-H642 IonicContact OE1-NE2 2.92Å; E614-H642 PolarHBondContact OE1-NE2 2.64Å; P640-H642 PolarHBondContact O-N 2.88Å | ||
| 643 | S | 34.3 | Very low | 58.4 | Low | 55 Ų | 55 | 73.2 Ų | 73.2 | 39% | 0.385 | 39% | 0.387 | S | S | . | . | trans | -113.4 | 55.8 | 157.7 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | I645 | S643-I645 CarbonylContact C-O 3.58Å; S643-I645 VanDerWaalsContact CA-O 3.27Å; S643-I645 WeakPolarHBondContact CA-O 3.37Å | ||
| 644 | Y | 32.5 | Very low | 57.4 | Low | 210 Ų | 210 | 73 Ų | 73 | 82% | 0.824 | 39% | 0.385 | S | S | * | . | trans | -91.9 | -7.4 | 158.4 | -78.6 | -77.9 | 0 | 0 | 0 | 112.8 | ||||
| 645 | I | 30.2 | Very low | 56.3 | Low | 155 Ų | 155 | 73.4 Ų | 73.4 | 80% | 0.795 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -68.8 | 129 | 137.6 | -60 | 173.5 | 0 | 0 | 0 | 104.2 | S643 | S643-I645 CarbonylContact C-O 3.58Å; S643-I645 VanDerWaalsContact CA-O 3.27Å; S643-I645 WeakPolarHBondContact CA-O 3.37Å |
| 646 | A | 29 | Very low | 55.5 | Low | 87 Ų | 87 | 82.4 Ų | 82.4 | 72% | 0.719 | 43% | 0.431 | S | S | * | . | trans | -34.2 | 124.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S648 | A646-S648 PolarHBondContact O-N 3.01Š| ||
| 647 | P | 35.7 | Very low | 54.8 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 37% | 0.37 | 45% | 0.446 | S | S | . | . | trans | -56.5 | 139.6 | -177.8 | 25.1 | -34.4 | 0 | 0 | 0 | 110 | E649 F692 | P647-E649 WeakPolarHBondContact O-CA 3.37Å; P647-E649 PolarHBondContact O-N 2.73Å; P647-F692 HydrophobicContact CG-CZ 4.43Å | ||
| 648 | S | 43.3 | Very low | 54.8 | Low | 18 Ų | 18 | 88 Ų | 88 | 13% | 0.126 | 45% | 0.449 | C | S | . | . | trans | -47.1 | 113.5 | 162.4 | 44.4 | 0 | 0 | 0 | 0 | 106.7 | A646 Y650 E677 E679 | A646-S648 PolarHBondContact O-N 3.01Å; S648-Y650 WeakPolarHBondContact O-CD2 3.47Å; S648-Y650 WeakPolarHBondContact O-CE2 3.23Å; S648-Y650 PolarHBondContact O-N 2.73Å; S648-Y650 PolarHBondContact OG-OH 2.84Å; S648-E677 VanDerWaalsContact CB-OE1 3.24Å; S648-E677 WeakPolarHBondContact CB-OE1 3.33Å; S648-E677 PolarHBondContact OG-OE1 3.15Å; S648-E679 WeakPolarHBondContact CB-OE2 3.16Å | ||
| 649 | E | 47.6 | Very low | 55.2 | Low | 116 Ų | 116 | 84.2 Ų | 84.2 | 54% | 0.542 | 44% | 0.438 | S | S | . | . | trans | -76.1 | 101 | -150.2 | -170.9 | 167.7 | -134.4 | 0 | 0 | 109.9 | P647 A651 I678 F692 | P647-E649 WeakPolarHBondContact O-CA 3.37Å; P647-E649 PolarHBondContact O-N 2.73Å; E649-A651 PolarHBondContact O-N 3.46Å; E649-I678 HydrophobicContact CB-CB 4.34Å; E649-I678 HydrophobicContact CB-CD1 4.02Å; E649-I678 HydrophobicContact CG-CD1 4.24Å; E649-I678 VanDerWaalsContact O-CB 3.29Å; E649-I678 WeakPolarHBondContact O-CB 3.47Å; E649-I678 WeakPolarHBondContact O-CD1 3.47Å; E649-I678 WeakPolarHBondContact O-CG1 3.29Å; E649-I678 PolarHBondContact O-N 2.88Å; E649-F692 HydrophobicContact CG-CE1 4.22Å | ||
| 650 | Y | 63.9 | Low | 56.4 | Low | 47 Ų | 47 | 87.6 Ų | 87.6 | 18% | 0.184 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 87.3 | -175.2 | -63.9 | -69.8 | 0 | 0 | 0 | 110.8 | S648 I676 E677 V684 C689 F692 | S648-Y650 WeakPolarHBondContact O-CD2 3.47Å; S648-Y650 WeakPolarHBondContact O-CE2 3.23Å; S648-Y650 PolarHBondContact O-N 2.73Å; S648-Y650 PolarHBondContact OG-OH 2.84Å; Y650-I676 VanDerWaalsContact CA-O 3.29Å; Y650-I676 WeakPolarHBondContact CA-O 3.46Å; Y650-E677 HydrophobicContact CD1-CB 4.03Å; Y650-E677 HydrophobicContact CD1-CG 4.26Å; Y650-E677 HydrophobicContact CE1-CB 3.72Å; Y650-E677 HydrophobicContact CE1-CG 3.65Å; Y650-E677 WeakPolarHBondContact CE1-OE1 3.28Å; Y650-E677 PolarHBondContact OH-OE1 3.04Å; Y650-V684 HydrophobicContact CD1-CG2 4.28Å; Y650-C689 VanDerWaalsContact C-SG 3.6Å; Y650-C689 PolarHBondContact O-SG 2.86Å; Y650-C689 VanDerWaalsContact O-SG 3.33Å; Y650-F692 WeakPolarHBondContact O-CD2 3.2Å; Y650-F692 WeakPolarHBondContact O-CG 3.16Å |
| 651 | A | 70.2 | Confident | 58.2 | Low | 31 Ų | 31 | 84.5 Ų | 84.5 | 26% | 0.256 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E649 R653 I676 I678 | E649-A651 PolarHBondContact O-N 3.46Å; A651-R653 PolarHBondContact O-N 3.43Å; A651-I676 PolarHBondContact N-O 3.22Å; A651-I676 VanDerWaalsContact O-CG1 3.25Å; A651-I676 WeakPolarHBondContact O-CG1 3.44Å; A651-I676 PolarHBondContact O-N 2.93Å; A651-I676 VanDerWaalsContact O-N 3.08Å; A651-I678 HydrophobicContact CB-CD1 3.66Å; A651-I678 HydrophobicContact CB-CG1 4.12Å |
| 652 | W | 78.9 | Confident | 59.8 | Low | 21 Ų | 21 | 86 Ų | 86 | 8% | 0.08 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 109.8 | 160.4 | -66.9 | 100.9 | 0 | 0 | 0 | 109.2 | C675 D686 C689 F692 R694 P695 | W652-C675 HydrophobicContact CE3-CB 4.41Å; W652-C675 HydrophobicContact CZ3-CB 4.18Å; W652-D686 HydrophobicContact CH2-CB 4Å; W652-D686 VanDerWaalsContact CH2-O 3.29Å; W652-D686 WeakPolarHBondContact CH2-O 3.22Å; W652-D686 HydrophobicContact CZ3-CB 4.32Å; W652-C689 HydrophobicContact CD2-CB 3.59Å; W652-C689 HydrophobicContact CE3-CB 4.09Å; W652-C689 HydrophobicContact CG-CB 4.03Å; W652-C689 HydrophobicContact CH2-CB 3.83Å; W652-C689 VanDerWaalsContact CZ2-C 3.49Å; W652-C689 HydrophobicContact CZ2-CB 3.38Å; W652-C689 WeakPolarHBondContact CZ2-O 3.06Å; W652-C689 HydrophobicContact CZ3-CB 4.19Å; W652-C689 PolarHBondContact NE1-O 2.96Å; W652-F692 PolarHBondContact NE1-O 2.84Å; W652-F692 VanDerWaalsContact NE1-O 3.08Å; W652-R694 HydrophobicContact CD2-CB 4.25Å; W652-R694 HydrophobicContact CD2-CG 3.85Å; W652-R694 HydrophobicContact CE3-CG 4.33Å; W652-R694 HydrophobicContact CG-CB 4.26Å; W652-R694 HydrophobicContact CG-CG 4.03Å; W652-R694 VanDerWaalsContact CZ3-CZ 3.41Å; W652-P695 HydrophobicContact CB-CG 3.87Å |
| 653 | R | 77.6 | Confident | 61.9 | Low | 106 Ų | 106 | 87.1 Ų | 87.1 | 40% | 0.4 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.8 | 170 | -179.8 | 171.9 | -78 | 179.8 | 0.5 | 108.4 | A651 T655 T673 E674 I676 E681 | A651-R653 PolarHBondContact O-N 3.43Å; R653-T655 PolarHBondContact O-N 2.94Å; R653-T673 WeakPolarHBondContact O-CA 3.45Å; R653-E674 PolarHBondContact N-O 3.4Å; R653-E674 PolarHBondContact O-N 2.97Å; R653-I676 HydrophobicContact CB-CD1 3.98Å; R653-I676 HydrophobicContact CB-CG1 3.88Å; R653-I676 HydrophobicContact CB-CG2 4.13Å; R653-I676 VanDerWaalsContact CZ-CD1 3.41Å; R653-I676 VanDerWaalsContact NE-CD1 3.31Å; R653-E681 IonicContact CZ-OE1 2.79Å; R653-E681 IonicContact NH1-OE1 2.61Å; R653-E681 PolarHBondContact NH1-OE1 2.81Å; R653-E681 IonicContact NH2-OE1 2.76Å; R653-E681 PolarHBondContact NH2-OE1 3Å |
| 654 | N | 71.5 | Confident | 64 | Low | 56 Ų | 56 | 86.7 Ų | 86.7 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 122.1 | 163.1 | -68.8 | -14.3 | 0 | 0 | 0 | 106.9 | V671 M698 | N654-V671 HydrophobicContact CB-CG1 4Å; N654-V671 HydrophobicContact CB-CG2 3.99Å; N654-M698 PolarHBondContact ND2-SD 3.09Å |
| 655 | T | 69.4 | Low | 66.3 | Low | 17 Ų | 17 | 77 Ų | 77 | 10% | 0.104 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 169.1 | 176.2 | 95 | 0 | 0 | 0 | 0 | 110 | R653 E657 V671 K672 E674 | R653-T655 PolarHBondContact O-N 2.94Å; T655-E657 PolarHBondContact O-N 3.21Å; T655-E657 WeakPolarHBondContact OG1-CB 3.39Å; T655-E657 PolarHBondContact OG1-N 3.43Å; T655-V671 WeakPolarHBondContact O-CG2 3.27Å; T655-K672 HydrophobicContact CG2-CB 4.35Å; T655-K672 WeakPolarHBondContact CG2-O 3.46Å; T655-K672 PolarHBondContact N-O 3.05Å; T655-E674 HydrophobicContact CG2-CB 3.97Å; T655-E674 HydrophobicContact CG2-CG 3.63Å; T655-E674 VanDerWaalsContact CG2-OE1 3.22Å; T655-E674 WeakPolarHBondContact CG2-OE1 3.25Å |
| 656 | E | 72.2 | Confident | 68.4 | Low | 190 Ų | 190 | 74.5 Ų | 74.5 | 89% | 0.888 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -6.4 | 172.1 | -60.5 | -166.1 | 168.5 | 0 | 0 | 112.9 | W658 | E656-W658 VanDerWaalsContact O-CD1 3.29Å; E656-W658 PolarHBondContact O-NE1 3.09Å |
| 657 | E | 69.5 | Low | 70.6 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139.3 | 174.7 | -58.3 | -172 | 156.6 | 0 | 0 | 111.9 | T655 K672 | T655-E657 PolarHBondContact O-N 3.21Å; T655-E657 WeakPolarHBondContact OG1-CB 3.39Å; T655-E657 PolarHBondContact OG1-N 3.43Å; E657-K672 HydrophobicContact CB-CB 4.25Å; E657-K672 HydrophobicContact CB-CD 4.03Å; E657-K672 WeakPolarHBondContact O-CB 3.36Å; E657-K672 PolarHBondContact O-N 3.05Å; E657-K672 WeakPolarHBondContact OE2-CD 3.25Å; E657-K672 WeakPolarHBondContact OE2-CE 3.38Å; E657-K672 IonicContact OE2-NZ 3.92Å; E657-K672 PolarHBondContact OE2-NZ 3.29Å |
| 658 | W | 76.2 | Confident | 72.8 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.4 | 174.9 | -60.4 | 78.9 | 0 | 0 | 0 | 109.2 | E656 Q669 D670 V671 R700 | E656-W658 VanDerWaalsContact O-CD1 3.29Å; E656-W658 PolarHBondContact O-NE1 3.09Å; W658-Q669 HydrophobicContact CB-CB 4.27Å; W658-Q669 HydrophobicContact CB-CG 4.14Å; W658-Q669 VanDerWaalsContact CB-OE1 3.29Å; W658-Q669 HydrophobicContact CD2-CG 4.37Å; W658-Q669 HydrophobicContact CE3-CG 3.91Å; W658-Q669 HydrophobicContact CG-CG 4.49Å; W658-D670 WeakPolarHBondContact CA-O 3.49Å; W658-V671 HydrophobicContact CD2-CB 4.43Å; W658-V671 HydrophobicContact CD2-CG2 4.44Å; W658-V671 HydrophobicContact CE3-CB 3.92Å; W658-V671 HydrophobicContact CE3-CG2 4.42Å; W658-V671 HydrophobicContact CH2-CB 3.95Å; W658-V671 HydrophobicContact CH2-CG2 4.23Å; W658-V671 HydrophobicContact CZ2-CB 4.44Å; W658-V671 HydrophobicContact CZ2-CG2 4.23Å; W658-V671 HydrophobicContact CZ3-CB 3.66Å; W658-V671 HydrophobicContact CZ3-CG2 4.31Å; W658-R700 HydrophobicContact CD2-CB 4.45Å; W658-R700 HydrophobicContact CE3-CB 3.66Å; W658-R700 HydrophobicContact CE3-CG 4.5Å; W658-R700 HydrophobicContact CH2-CB 3.67Å; W658-R700 HydrophobicContact CH2-CG 4.48Å; W658-R700 HydrophobicContact CZ2-CB 4.45Å; W658-R700 HydrophobicContact CZ3-CB 3.22Å; W658-R700 HydrophobicContact CZ3-CG 4.29Å |
| 659 | T | 78 | Confident | 74.6 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | trans | -64.7 | 152.4 | 173.9 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | C661 Q669 D670 | T659-C661 PolarHBondContact O-N 3Å; T659-Q669 WeakPolarHBondContact O-CB 3.35Å; T659-D670 HydrophobicContact CG2-CB 4.09Å; T659-D670 PolarHBondContact N-O 3.18Å; T659-D670 PolarHBondContact OG1-N 3.01Å; T659-D670 PolarHBondContact OG1-O 2.99Å | ||
| 660 | D | 79.6 | Confident | 75.9 | Confident | 159 Ų | 159 | 65.7 Ų | 65.7 | 85% | 0.85 | 32% | 0.322 | S | S | * | . | trans | -50.2 | 142.5 | 169.4 | -72.1 | -60.5 | 0 | 0 | 0 | 112.3 | N662 | D660-N662 PolarHBondContact O-N 2.9Š| ||
| 661 | C | 82.9 | Confident | 76.6 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | trans | -68.6 | 115.8 | -172.1 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | T659 R663 C702 N703 | T659-C661 PolarHBondContact O-N 3Å; C661-R663 PolarHBondContact O-N 3.04Å; C661-R663 PolarHBondContact SG-O 3.06Å; C661-C702 WeakPolarHBondContact CA-SG 3.28Å; C661-C702 HydrophobicContact CB-CB 3.78Å; C661-C702 WeakPolarHBondContact CB-SG 3.35Å; C661-C702 WeakPolarHBondContact SG-CB 3.22Å; C661-C702 CovalentContact SG-SG 2.02Å; C661-C702 PolarHBondContact SG-SG 3.5Å; C661-N703 PolarHBondContact SG-ND2 2.91Å | ||
| 662 | N | 78.2 | Confident | 76.6 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -65.5 | -6.8 | -169.8 | 70 | 4.7 | 0 | 0 | 0 | 116.3 | D660 G667 S668 | D660-N662 PolarHBondContact O-N 2.9Å; N662-G667 VanDerWaalsContact OD1-CA 3.32Å; N662-G667 WeakPolarHBondContact OD1-CA 3.1Å; N662-S668 PolarHBondContact ND2-O 3.12Å; N662-S668 PolarHBondContact ND2-OG 3.18Å; N662-S668 PolarHBondContact OD1-N 3.01Å; N662-S668 PolarHBondContact OD1-O 3.07Å |
| 663 | R | 80.1 | Confident | 76.6 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -141.9 | 144.3 | 174.3 | -61.6 | 173.8 | 169.2 | -133.6 | -11.8 | 109.5 | C661 C665 N703 D752 | C661-R663 PolarHBondContact O-N 3.04Å; C661-R663 PolarHBondContact SG-O 3.06Å; R663-C665 WeakPolarHBondContact CB-O 3.1Å; R663-C665 PolarHBondContact O-N 3.02Å; R663-N703 PolarHBondContact O-ND2 3.08Å; R663-D752 IonicContact CZ-OD2 3.01Å; R663-D752 IonicContact NH1-OD2 2.74Å; R663-D752 PolarHBondContact NH1-OD2 3.01Å; R663-D752 IonicContact NH2-OD1 3.4Å; R663-D752 IonicContact NH2-OD2 2.87Å; R663-D752 PolarHBondContact NH2-OD2 2.9Å |
| 664 | I | 78.7 | Confident | 76.7 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -62.5 | -17.5 | 179.5 | 66.1 | 170.7 | 0 | 0 | 0 | 114.4 | N703 C706 T708 K735 V745 H749 | I664-N703 WeakPolarHBondContact O-CB 3.3Å; I664-N703 PolarHBondContact O-ND2 2.92Å; I664-C706 PolarHBondContact O-SG 3.31Å; I664-T708 HydrophobicContact CD1-CG2 3.82Å; I664-T708 HydrophobicContact CG1-CG2 3.99Å; I664-K735 HydrophobicContact CD1-CB 4.43Å; I664-K735 HydrophobicContact CD1-CD 4.36Å; I664-K735 PolarHBondContact O-NZ 2.87Å; I664-V745 HydrophobicContact CD1-CB 4.04Å; I664-V745 HydrophobicContact CD1-CG1 3.71Å; I664-V745 HydrophobicContact CD1-CG2 3.89Å; I664-H749 HydrophobicContact CD1-CB 3.78Å; I664-H749 HydrophobicContact CG1-CB 4.35Å |
| 665 | C | 80 | Confident | 77.3 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -152.4 | 143.3 | 180 | -68.6 | 0 | 0 | 0 | 0 | 109.2 | R663 G667 N703 C706 T708 K735 | R663-C665 WeakPolarHBondContact CB-O 3.1Å; R663-C665 PolarHBondContact O-N 3.02Å; C665-G667 PolarHBondContact O-N 2.03Å; C665-N703 WeakPolarHBondContact CA-O 2.99Å; C665-C706 WeakPolarHBondContact CA-SG 3.28Å; C665-C706 HydrophobicContact CB-CB 4.14Å; C665-C706 VanDerWaalsContact CB-O 3.31Å; C665-C706 WeakPolarHBondContact CB-O 3.31Å; C665-C706 WeakPolarHBondContact CB-SG 3.02Å; C665-C706 VanDerWaalsContact SG-C 3.59Å; C665-C706 WeakPolarHBondContact SG-CB 3.45Å; C665-C706 CovalentContact SG-SG 2.05Å; C665-C706 PolarHBondContact SG-SG 2.9Å; C665-T708 HydrophobicContact CB-CG2 4.13Å; C665-K735 VanDerWaalsContact SG-CD 3.57Å; C665-K735 VanDerWaalsContact SG-CG 3.53Å |
| 666 | Q | 73.2 | Confident | 77.5 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 45.3 | 43.5 | -177.5 | -53.4 | -158.8 | -65.8 | 0 | 0 | 113.8 | N703 C706 Q707 | Q666-N703 PolarHBondContact N-O 3.02Å; Q666-C706 WeakPolarHBondContact CG-O 3.31Å; Q666-Q707 VanDerWaalsContact CD-CG 3.41Å; Q666-Q707 HydrophobicContact CG-CG 3.75Å; Q666-Q707 VanDerWaalsContact OE1-NE2 3.11Å |
| 667 | G | 76.3 | Confident | 77.5 | Confident | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 173.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N662 C665 A701 C702 | N662-G667 VanDerWaalsContact OD1-CA 3.32Å; N662-G667 WeakPolarHBondContact OD1-CA 3.1Å; C665-G667 PolarHBondContact O-N 2.03Å; G667-A701 WeakPolarHBondContact O-CA 3.27Å; G667-C702 PolarHBondContact N-O 2.84Å; G667-C702 PolarHBondContact O-N 2.94Å; G667-C702 PolarHBondContact O-SG 3.13Å |
| 668 | S | 81.4 | Confident | 77.2 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.9 | 164.6 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | N662 R700 | N662-S668 PolarHBondContact ND2-O 3.12Å; N662-S668 PolarHBondContact ND2-OG 3.18Å; N662-S668 PolarHBondContact OD1-N 3.01Å; N662-S668 PolarHBondContact OD1-O 3.07Å; S668-R700 WeakPolarHBondContact CA-O 3.34Å |
| 669 | Q | 80.9 | Confident | 76.5 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.9 | 165.3 | 56.3 | -170 | -28.1 | 0 | 0 | 107.3 | W658 T659 T699 R700 C702 | W658-Q669 HydrophobicContact CB-CB 4.27Å; W658-Q669 HydrophobicContact CB-CG 4.14Å; W658-Q669 VanDerWaalsContact CB-OE1 3.29Å; W658-Q669 HydrophobicContact CD2-CG 4.37Å; W658-Q669 HydrophobicContact CE3-CG 3.91Å; W658-Q669 HydrophobicContact CG-CG 4.49Å; T659-Q669 WeakPolarHBondContact O-CB 3.35Å; Q669-T699 WeakPolarHBondContact O-CA 3.46Å; Q669-R700 HydrophobicContact CG-CB 3.95Å; Q669-R700 HydrophobicContact CG-CG 4.17Å; Q669-R700 WeakPolarHBondContact CG-O 3.34Å; Q669-R700 PolarHBondContact N-O 3.4Å; Q669-R700 VanDerWaalsContact NE2-CZ 3.28Å; Q669-R700 PolarHBondContact O-N 2.72Å; Q669-C702 HydrophobicContact CB-CB 4.24Å; Q669-C702 HydrophobicContact CG-CB 3.84Å; Q669-C702 PolarHBondContact N-SG 3.18Å |
| 670 | D | 75.2 | Confident | 76 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 143.6 | 172.9 | -66.6 | -58.4 | 0 | 0 | 0 | 108.8 | W658 T659 R697 T699 | W658-D670 WeakPolarHBondContact CA-O 3.49Å; T659-D670 HydrophobicContact CG2-CB 4.09Å; T659-D670 PolarHBondContact N-O 3.18Å; T659-D670 PolarHBondContact OG1-N 3.01Å; T659-D670 PolarHBondContact OG1-O 2.99Å; D670-R697 VanDerWaalsContact CG-NE 3.31Å; D670-R697 VanDerWaalsContact OD1-CG 3.29Å; D670-R697 WeakPolarHBondContact OD1-CG 3.49Å; D670-R697 IonicContact OD1-CZ 2.71Å; D670-R697 IonicContact OD1-NE 2.78Å; D670-R697 PolarHBondContact OD1-NE 2.92Å; D670-R697 IonicContact OD1-NH2 2.71Å; D670-R697 IonicContact OD2-CZ 2.64Å; D670-R697 IonicContact OD2-NE 3.17Å; D670-R697 PolarHBondContact OD2-NE 3.42Å; D670-R697 IonicContact OD2-NH2 2.71Å; D670-R697 PolarHBondContact OD2-NH2 3.08Å; D670-T699 VanDerWaalsContact OD1-CG2 3.27Å; D670-T699 WeakPolarHBondContact OD1-CG2 3.32Å |
| 671 | V | 79.9 | Confident | 75.1 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 9% | 0.085 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 135.6 | 163.7 | 77.2 | 0 | 0 | 0 | 0 | 108.4 | N654 T655 W658 T673 M698 | N654-V671 HydrophobicContact CB-CG1 4Å; N654-V671 HydrophobicContact CB-CG2 3.99Å; T655-V671 WeakPolarHBondContact O-CG2 3.27Å; W658-V671 HydrophobicContact CD2-CB 4.43Å; W658-V671 HydrophobicContact CD2-CG2 4.44Å; W658-V671 HydrophobicContact CE3-CB 3.92Å; W658-V671 HydrophobicContact CE3-CG2 4.42Å; W658-V671 HydrophobicContact CH2-CB 3.95Å; W658-V671 HydrophobicContact CH2-CG2 4.23Å; W658-V671 HydrophobicContact CZ2-CB 4.44Å; W658-V671 HydrophobicContact CZ2-CG2 4.23Å; W658-V671 HydrophobicContact CZ3-CB 3.66Å; W658-V671 HydrophobicContact CZ3-CG2 4.31Å; V671-T673 HydrophobicContact CG1-CG2 4.45Å; V671-M698 HydrophobicContact CB-CB 4.48Å; V671-M698 HydrophobicContact CG1-CB 3.81Å; V671-M698 PolarHBondContact N-O 3.32Å; V671-M698 VanDerWaalsContact N-O 3.13Å |
| 672 | K | 68.8 | Low | 74.5 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 133.5 | 173.5 | -159.9 | 178.9 | 178 | -175.6 | 0 | 107.4 | T655 E657 | T655-K672 HydrophobicContact CG2-CB 4.35Å; T655-K672 WeakPolarHBondContact CG2-O 3.46Å; T655-K672 PolarHBondContact N-O 3.05Å; E657-K672 HydrophobicContact CB-CB 4.25Å; E657-K672 HydrophobicContact CB-CD 4.03Å; E657-K672 WeakPolarHBondContact O-CB 3.36Å; E657-K672 PolarHBondContact O-N 3.05Å; E657-K672 WeakPolarHBondContact OE2-CD 3.25Å; E657-K672 WeakPolarHBondContact OE2-CE 3.38Å; E657-K672 IonicContact OE2-NZ 3.92Å; E657-K672 PolarHBondContact OE2-NZ 3.29Å |
| 673 | T | 80.3 | Confident | 74.2 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.4 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 108.5 | R653 V671 R694 | R653-T673 WeakPolarHBondContact O-CA 3.45Å; V671-T673 HydrophobicContact CG1-CG2 4.45Å; T673-R694 PolarHBondContact OG1-NH1 3.42Å |
| 674 | E | 79.1 | Confident | 73.8 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 150.9 | 172.4 | 74.9 | -158.9 | 155.9 | 0 | 0 | 110.3 | R653 T655 I676 V683 | R653-E674 PolarHBondContact N-O 3.4Å; R653-E674 PolarHBondContact O-N 2.97Å; T655-E674 HydrophobicContact CG2-CB 3.97Å; T655-E674 HydrophobicContact CG2-CG 3.63Å; T655-E674 VanDerWaalsContact CG2-OE1 3.22Å; T655-E674 WeakPolarHBondContact CG2-OE1 3.25Å; E674-I676 HydrophobicContact CG-CG2 4.06Å; E674-V683 HydrophobicContact CB-CG1 4.13Å; E674-V683 HydrophobicContact CG-CG1 4.13Å; E674-V683 HydrophobicContact CG-CG2 4.25Å |
| 675 | C | 82.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130.3 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | W652 V684 C689 | W652-C675 HydrophobicContact CE3-CB 4.41Å; W652-C675 HydrophobicContact CZ3-CB 4.18Å; C675-V684 HydrophobicContact CB-CG2 4.03Å; C675-V684 PolarHBondContact O-N 3.29Å; C675-V684 VanDerWaalsContact SG-CG2 3.52Å; C675-C689 WeakPolarHBondContact CA-SG 3.47Å; C675-C689 HydrophobicContact CB-CB 3.74Å; C675-C689 WeakPolarHBondContact CB-SG 3.22Å; C675-C689 WeakPolarHBondContact SG-CB 3.28Å; C675-C689 PolarHBondContact SG-N 3.31Å; C675-C689 CovalentContact SG-SG 2.02Å; C675-C689 PolarHBondContact SG-SG 3.44Å |
| 676 | I | 73.6 | Confident | 73.1 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 155.6 | 176.1 | 62.7 | 152.6 | 0 | 0 | 0 | 111.7 | Y650 A651 R653 E674 Q682 V683 | Y650-I676 VanDerWaalsContact CA-O 3.29Å; Y650-I676 WeakPolarHBondContact CA-O 3.46Å; A651-I676 PolarHBondContact N-O 3.22Å; A651-I676 VanDerWaalsContact O-CG1 3.25Å; A651-I676 WeakPolarHBondContact O-CG1 3.44Å; A651-I676 PolarHBondContact O-N 2.93Å; A651-I676 VanDerWaalsContact O-N 3.08Å; R653-I676 HydrophobicContact CB-CD1 3.98Å; R653-I676 HydrophobicContact CB-CG1 3.88Å; R653-I676 HydrophobicContact CB-CG2 4.13Å; R653-I676 VanDerWaalsContact CZ-CD1 3.41Å; R653-I676 VanDerWaalsContact NE-CD1 3.31Å; E674-I676 HydrophobicContact CG-CG2 4.06Å; I676-Q682 WeakPolarHBondContact CA-O 3.46Å; I676-V683 HydrophobicContact CG2-CG2 4.17Å |
| 677 | E | 73 | Confident | 73 | Confident | 36 Ų | 36 | 66 Ų | 66 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.7 | 166 | -169.7 | 148.8 | -142.8 | 0 | 0 | 109.8 | S648 Y650 E679 E681 Q682 | S648-E677 VanDerWaalsContact CB-OE1 3.24Å; S648-E677 WeakPolarHBondContact CB-OE1 3.33Å; S648-E677 PolarHBondContact OG-OE1 3.15Å; Y650-E677 HydrophobicContact CD1-CB 4.03Å; Y650-E677 HydrophobicContact CD1-CG 4.26Å; Y650-E677 HydrophobicContact CE1-CB 3.72Å; Y650-E677 HydrophobicContact CE1-CG 3.65Å; Y650-E677 WeakPolarHBondContact CE1-OE1 3.28Å; Y650-E677 PolarHBondContact OH-OE1 3.04Å; E677-E679 VanDerWaalsContact C-N 3.28Å; E677-E679 PolarHBondContact O-N 3.28Å; E677-E681 VanDerWaalsContact O-CA 3.24Å; E677-E681 WeakPolarHBondContact O-CA 3.04Å; E677-E681 PolarHBondContact O-N 3.46Å; E677-Q682 PolarHBondContact N-O 2.86Å; E677-Q682 VanDerWaalsContact N-O 3.12Å |
| 678 | I | 62.5 | Low | 72.6 | Confident | 82 Ų | 82 | 70.8 Ų | 70.8 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.3 | -175.5 | -85.7 | 175.4 | 0 | 0 | 0 | 113.8 | E649 A651 | E649-I678 HydrophobicContact CB-CB 4.34Å; E649-I678 HydrophobicContact CB-CD1 4.02Å; E649-I678 HydrophobicContact CG-CD1 4.24Å; E649-I678 VanDerWaalsContact O-CB 3.29Å; E649-I678 WeakPolarHBondContact O-CB 3.47Å; E649-I678 WeakPolarHBondContact O-CD1 3.47Å; E649-I678 WeakPolarHBondContact O-CG1 3.29Å; E649-I678 PolarHBondContact O-N 2.88Å; A651-I678 HydrophobicContact CB-CD1 3.66Å; A651-I678 HydrophobicContact CB-CG1 4.12Å |
| 679 | E | 62.3 | Low | 72.2 | Confident | 151 Ų | 151 | 69.3 Ų | 69.3 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -40.1 | -177.3 | -65.9 | -170.2 | 120.8 | 0 | 0 | 114 | S648 E677 | S648-E679 WeakPolarHBondContact CB-OE2 3.16Å; E677-E679 VanDerWaalsContact C-N 3.28Å; E677-E679 PolarHBondContact O-N 3.28Å |
| 680 | E | 67.1 | Low | 71.6 | Confident | 156 Ų | 156 | 75.5 Ų | 75.5 | 73% | 0.729 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 1.1 | -178.1 | -69.5 | -78.6 | 158.6 | 0 | 0 | 113.1 | Q682 | E680-Q682 HydrophobicContact CB-CB 4.49Å; E680-Q682 PolarHBondContact O-N 3.32Å |
| 681 | E | 62.1 | Low | 71.1 | Confident | 116 Ų | 116 | 79 Ų | 79 | 54% | 0.542 | 38% | 0.384 | S | S | . | . | trans | 51 | 17.4 | -172.9 | -63.6 | -148.2 | 90.8 | 0 | 0 | 115.6 | R653 E677 | R653-E681 IonicContact CZ-OE1 2.79Å; R653-E681 IonicContact NH1-OE1 2.61Å; R653-E681 PolarHBondContact NH1-OE1 2.81Å; R653-E681 IonicContact NH2-OE1 2.76Å; R653-E681 PolarHBondContact NH2-OE1 3Å; E677-E681 VanDerWaalsContact O-CA 3.24Å; E677-E681 WeakPolarHBondContact O-CA 3.04Å; E677-E681 PolarHBondContact O-N 3.46Å | ||
| 682 | Q | 70.2 | Confident | 70.3 | Confident | 128 Ų | 128 | 81.4 Ų | 81.4 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | trans | -80.5 | 133.6 | -172.8 | -164.8 | 166.7 | 71.1 | 0 | 0 | 111.5 | I676 E677 E680 V684 | I676-Q682 WeakPolarHBondContact CA-O 3.46Å; E677-Q682 PolarHBondContact N-O 2.86Å; E677-Q682 VanDerWaalsContact N-O 3.12Å; E680-Q682 HydrophobicContact CB-CB 4.49Å; E680-Q682 PolarHBondContact O-N 3.32Å; Q682-V684 PolarHBondContact O-N 3.41Å | ||
| 683 | V | 70.1 | Confident | 70 | Confident | 83 Ų | 83 | 83.5 Ų | 83.5 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 123.7 | 173.6 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | E674 I676 | E674-V683 HydrophobicContact CB-CG1 4.13Å; E674-V683 HydrophobicContact CG-CG1 4.13Å; E674-V683 HydrophobicContact CG-CG2 4.25Å; I676-V683 HydrophobicContact CG2-CG2 4.17Å |
| 684 | V | 72.3 | Confident | 69.4 | Low | 30 Ų | 30 | 87.5 Ų | 87.5 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 168.2 | -177.4 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | Y650 C675 Q682 Y688 | Y650-V684 HydrophobicContact CD1-CG2 4.28Å; C675-V684 HydrophobicContact CB-CG2 4.03Å; C675-V684 PolarHBondContact O-N 3.29Å; C675-V684 VanDerWaalsContact SG-CG2 3.52Å; Q682-V684 PolarHBondContact O-N 3.41Å; V684-Y688 HydrophobicContact CB-CD2 3.85Å; V684-Y688 HydrophobicContact CB-CE2 4.37Å; V684-Y688 HydrophobicContact CG2-CD2 3.98Å; V684-Y688 HydrophobicContact CG2-CG 4.41Å |
| 685 | D | 74.6 | Confident | 68.9 | Low | 70 Ų | 70 | 86.8 Ų | 86.8 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | trans | -61.1 | 136.9 | -178.7 | -172.7 | -65.9 | 0 | 0 | 0 | 112.3 | R687 Y688 | D685-R687 VanDerWaalsContact CG-NE 3.27Å; D685-R687 VanDerWaalsContact CG-NH2 3.34Å; D685-R687 PolarHBondContact O-N 2.85Å; D685-R687 VanDerWaalsContact OD1-CB 3.28Å; D685-R687 WeakPolarHBondContact OD1-CB 3.24Å; D685-R687 WeakPolarHBondContact OD1-CG 3.28Å; D685-R687 IonicContact OD1-CZ 3.3Å; D685-R687 PolarHBondContact OD1-N 3.03Å; D685-R687 IonicContact OD1-NE 2.88Å; D685-R687 PolarHBondContact OD1-NE 2.87Å; D685-R687 IonicContact OD1-NH2 3.77Å; D685-R687 IonicContact OD2-CZ 3.17Å; D685-R687 IonicContact OD2-NE 2.8Å; D685-R687 PolarHBondContact OD2-NE 2.94Å; D685-R687 IonicContact OD2-NH2 2.86Å; D685-R687 PolarHBondContact OD2-NH2 3.16Å; D685-Y688 HydrophobicContact CB-CD2 3.93Å; D685-Y688 HydrophobicContact CB-CE2 3.87Å; D685-Y688 VanDerWaalsContact O-CD2 3.3Å; D685-Y688 WeakPolarHBondContact O-CD2 3.47Å; D685-Y688 PolarHBondContact O-N 3.39Å | ||
| 686 | D | 70.3 | Confident | 68.1 | Low | 65 Ų | 65 | 92.3 Ų | 92.3 | 35% | 0.348 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -44.9 | -29.9 | 179 | -101.1 | 45.3 | 0 | 0 | 0 | 114.1 | W652 Y688 C689 R694 | W652-D686 HydrophobicContact CH2-CB 4Å; W652-D686 VanDerWaalsContact CH2-O 3.29Å; W652-D686 WeakPolarHBondContact CH2-O 3.22Å; W652-D686 HydrophobicContact CZ3-CB 4.32Å; D686-Y688 PolarHBondContact O-N 3.37Å; D686-C689 PolarHBondContact O-N 3.31Å; D686-R694 IonicContact OD2-CZ 2.73Å; D686-R694 IonicContact OD2-NH1 3.2Å; D686-R694 PolarHBondContact OD2-NH1 2.92Å; D686-R694 IonicContact OD2-NH2 2.73Å; D686-R694 PolarHBondContact OD2-NH2 3.25Å |
| 687 | R | 70.5 | Confident | 67.7 | Low | 168 Ų | 168 | 100.5 Ų | 100.5 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -58.3 | -29.1 | 177.3 | -71 | 175.4 | -71.7 | 159.2 | -2.9 | 114.1 | D685 | D685-R687 VanDerWaalsContact CG-NE 3.27Å; D685-R687 VanDerWaalsContact CG-NH2 3.34Å; D685-R687 PolarHBondContact O-N 2.85Å; D685-R687 VanDerWaalsContact OD1-CB 3.28Å; D685-R687 WeakPolarHBondContact OD1-CB 3.24Å; D685-R687 WeakPolarHBondContact OD1-CG 3.28Å; D685-R687 IonicContact OD1-CZ 3.3Å; D685-R687 PolarHBondContact OD1-N 3.03Å; D685-R687 IonicContact OD1-NE 2.88Å; D685-R687 PolarHBondContact OD1-NE 2.87Å; D685-R687 IonicContact OD1-NH2 3.77Å; D685-R687 IonicContact OD2-CZ 3.17Å; D685-R687 IonicContact OD2-NE 2.8Å; D685-R687 PolarHBondContact OD2-NE 2.94Å; D685-R687 IonicContact OD2-NH2 2.86Å; D685-R687 PolarHBondContact OD2-NH2 3.16Å |
| 688 | Y | 66.9 | Low | 67.1 | Low | 105 Ų | 105 | 103.8 Ų | 103.8 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -74.1 | -25.9 | -177.5 | -65.2 | -69.2 | 0 | 0 | 0 | 113.2 | V684 D685 D686 | V684-Y688 HydrophobicContact CB-CD2 3.85Å; V684-Y688 HydrophobicContact CB-CE2 4.37Å; V684-Y688 HydrophobicContact CG2-CD2 3.98Å; V684-Y688 HydrophobicContact CG2-CG 4.41Å; D685-Y688 HydrophobicContact CB-CD2 3.93Å; D685-Y688 HydrophobicContact CB-CE2 3.87Å; D685-Y688 VanDerWaalsContact O-CD2 3.3Å; D685-Y688 WeakPolarHBondContact O-CD2 3.47Å; D685-Y688 PolarHBondContact O-N 3.39Å; D686-Y688 PolarHBondContact O-N 3.37Å |
| 689 | C | 74.2 | Confident | 67.5 | Low | 0 Ų | 0 | 103.7 Ų | 103.7 | 0% | 0 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -98.3 | 1.5 | 179.6 | -66.6 | 0 | 0 | 0 | 0 | 113.9 | Y650 W652 C675 D686 S691 F692 | Y650-C689 VanDerWaalsContact C-SG 3.6Å; Y650-C689 PolarHBondContact O-SG 2.86Å; Y650-C689 VanDerWaalsContact O-SG 3.33Å; W652-C689 HydrophobicContact CD2-CB 3.59Å; W652-C689 HydrophobicContact CE3-CB 4.09Å; W652-C689 HydrophobicContact CG-CB 4.03Å; W652-C689 HydrophobicContact CH2-CB 3.83Å; W652-C689 VanDerWaalsContact CZ2-C 3.49Å; W652-C689 HydrophobicContact CZ2-CB 3.38Å; W652-C689 WeakPolarHBondContact CZ2-O 3.06Å; W652-C689 HydrophobicContact CZ3-CB 4.19Å; W652-C689 PolarHBondContact NE1-O 2.96Å; C675-C689 WeakPolarHBondContact CA-SG 3.47Å; C675-C689 HydrophobicContact CB-CB 3.74Å; C675-C689 WeakPolarHBondContact CB-SG 3.22Å; C675-C689 WeakPolarHBondContact SG-CB 3.28Å; C675-C689 PolarHBondContact SG-N 3.31Å; C675-C689 CovalentContact SG-SG 2.02Å; C675-C689 PolarHBondContact SG-SG 3.44Å; D686-C689 PolarHBondContact O-N 3.31Å; C689-S691 PolarHBondContact O-N 2.94Å; C689-S691 VanDerWaalsContact O-N 3.1Å; C689-F692 PolarHBondContact O-N 2.9Å; C689-F692 VanDerWaalsContact O-O 3.07Å |
| 690 | E | 68.8 | Low | 68.1 | Low | 159 Ų | 159 | 102.6 Ų | 102.6 | 74% | 0.743 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.4 | -179.9 | -78.4 | -162.5 | 142.2 | 0 | 0 | 114.2 | ||
| 691 | S | 63 | Low | 68.6 | Low | 101 Ų | 101 | 97.6 Ų | 97.6 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -26.5 | 175 | 47.4 | 0 | 0 | 0 | 0 | 113.8 | C689 | C689-S691 PolarHBondContact O-N 2.94Å; C689-S691 VanDerWaalsContact O-N 3.1Å |
| 692 | F | 63.3 | Low | 69.5 | Low | 65 Ų | 65 | 92.6 Ų | 92.6 | 29% | 0.285 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -93.3 | 142.9 | -180 | -64.3 | -92 | 0 | 0 | 0 | 110 | P647 E649 Y650 W652 C689 R694 | P647-F692 HydrophobicContact CG-CZ 4.43Å; E649-F692 HydrophobicContact CG-CE1 4.22Å; Y650-F692 WeakPolarHBondContact O-CD2 3.2Å; Y650-F692 WeakPolarHBondContact O-CG 3.16Å; W652-F692 PolarHBondContact NE1-O 2.84Å; W652-F692 VanDerWaalsContact NE1-O 3.08Å; C689-F692 PolarHBondContact O-N 2.9Å; C689-F692 VanDerWaalsContact O-O 3.07Å; F692-R694 PolarHBondContact O-N 2.81Å |
| 693 | K | 64.1 | Low | 69.8 | Low | 150 Ų | 150 | 89.6 Ų | 89.6 | 65% | 0.652 | 44% | 0.436 | S | S | * | . | trans | -62.6 | 110.9 | -178.6 | -170.6 | -157.3 | 173.6 | -169.5 | 0 | 109.4 | D696 | K693-D696 WeakPolarHBondContact CE-OD1 3.5Å; K693-D696 IonicContact NZ-OD1 3.75Å; K693-D696 PolarHBondContact NZ-OD1 3Å; K693-D696 IonicContact NZ-OD2 2.68Å; K693-D696 PolarHBondContact NZ-OD2 3.35Å | ||
| 694 | R | 67.2 | Low | 70 | Confident | 110 Ų | 110 | 90.7 Ų | 90.7 | 42% | 0.415 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 130.1 | 171.6 | -165.7 | 179.8 | -67.1 | -137.5 | 10.2 | 109 | W652 T673 D686 F692 D696 | W652-R694 HydrophobicContact CD2-CB 4.25Å; W652-R694 HydrophobicContact CD2-CG 3.85Å; W652-R694 HydrophobicContact CE3-CG 4.33Å; W652-R694 HydrophobicContact CG-CB 4.26Å; W652-R694 HydrophobicContact CG-CG 4.03Å; W652-R694 VanDerWaalsContact CZ3-CZ 3.41Å; T673-R694 PolarHBondContact OG1-NH1 3.42Å; D686-R694 IonicContact OD2-CZ 2.73Å; D686-R694 IonicContact OD2-NH1 3.2Å; D686-R694 PolarHBondContact OD2-NH1 2.92Å; D686-R694 IonicContact OD2-NH2 2.73Å; D686-R694 PolarHBondContact OD2-NH2 3.25Å; F692-R694 PolarHBondContact O-N 2.81Å; R694-D696 PolarHBondContact O-N 3.47Å |
| 695 | P | 68 | Low | 70 | Confident | 44 Ų | 44 | 96 Ų | 96 | 29% | 0.286 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 138.3 | 179.3 | -32.9 | 34.9 | 0 | 0 | 0 | 111.7 | W652 R697 | W652-P695 HydrophobicContact CB-CG 3.87Å; P695-R697 PolarHBondContact O-N 3.18Å; P695-R697 VanDerWaalsContact O-N 3.12Å |
| 696 | D | 65.2 | Low | 70.1 | Confident | 117 Ų | 117 | 93 Ų | 93 | 63% | 0.626 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 121.4 | -179.8 | -60.7 | -75.2 | 0 | 0 | 0 | 109 | K693 R694 M698 | K693-D696 WeakPolarHBondContact CE-OD1 3.5Å; K693-D696 IonicContact NZ-OD1 3.75Å; K693-D696 PolarHBondContact NZ-OD1 3Å; K693-D696 IonicContact NZ-OD2 2.68Å; K693-D696 PolarHBondContact NZ-OD2 3.35Å; R694-D696 PolarHBondContact O-N 3.47Å; D696-M698 PolarHBondContact O-N 3.04Å |
| 697 | R | 66.9 | Low | 70.3 | Confident | 175 Ų | 175 | 93.7 Ų | 93.7 | 66% | 0.66 | 45% | 0.447 | S | S | * | . | trans | -44 | 99.5 | -163.6 | -176.1 | -176.3 | 179 | 173 | 3.6 | 112.7 | D670 P695 T699 | D670-R697 VanDerWaalsContact CG-NE 3.31Å; D670-R697 VanDerWaalsContact OD1-CG 3.29Å; D670-R697 WeakPolarHBondContact OD1-CG 3.49Å; D670-R697 IonicContact OD1-CZ 2.71Å; D670-R697 IonicContact OD1-NE 2.78Å; D670-R697 PolarHBondContact OD1-NE 2.92Å; D670-R697 IonicContact OD1-NH2 2.71Å; D670-R697 IonicContact OD2-CZ 2.64Å; D670-R697 IonicContact OD2-NE 3.17Å; D670-R697 PolarHBondContact OD2-NE 3.42Å; D670-R697 IonicContact OD2-NH2 2.71Å; D670-R697 PolarHBondContact OD2-NH2 3.08Å; P695-R697 PolarHBondContact O-N 3.18Å; P695-R697 VanDerWaalsContact O-N 3.12Å; R697-T699 VanDerWaalsContact C-N 3.33Å; R697-T699 HydrophobicContact CG-CG2 4.32Å; R697-T699 PolarHBondContact O-N 3Å | ||
| 698 | M | 59.4 | Low | 70.8 | Confident | 105 Ų | 105 | 87.2 Ų | 87.2 | 52% | 0.517 | 43% | 0.426 | S | S | . | . | trans | -74.8 | 85.9 | 179 | -79.9 | -175.8 | 62.4 | 0 | 0 | 110.6 | N654 V671 D696 | N654-M698 PolarHBondContact ND2-SD 3.09Å; V671-M698 HydrophobicContact CB-CB 4.48Å; V671-M698 HydrophobicContact CG1-CB 3.81Å; V671-M698 PolarHBondContact N-O 3.32Å; V671-M698 VanDerWaalsContact N-O 3.13Å; D696-M698 PolarHBondContact O-N 3.04Å | ||
| 699 | T | 72 | Confident | 71.3 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 117.8 | 166.7 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | Q669 D670 R697 | Q669-T699 WeakPolarHBondContact O-CA 3.46Å; D670-T699 VanDerWaalsContact OD1-CG2 3.27Å; D670-T699 WeakPolarHBondContact OD1-CG2 3.32Å; R697-T699 VanDerWaalsContact C-N 3.33Å; R697-T699 HydrophobicContact CG-CG2 4.32Å; R697-T699 PolarHBondContact O-N 3Å |
| 700 | R | 73.6 | Confident | 71.7 | Confident | 127 Ų | 127 | 90.7 Ų | 90.7 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135 | 161.8 | 169.3 | -179.9 | 166.3 | -150.8 | -2.7 | 108.1 | W658 S668 Q669 | W658-R700 HydrophobicContact CD2-CB 4.45Å; W658-R700 HydrophobicContact CE3-CB 3.66Å; W658-R700 HydrophobicContact CE3-CG 4.5Å; W658-R700 HydrophobicContact CH2-CB 3.67Å; W658-R700 HydrophobicContact CH2-CG 4.48Å; W658-R700 HydrophobicContact CZ2-CB 4.45Å; W658-R700 HydrophobicContact CZ3-CB 3.22Å; W658-R700 HydrophobicContact CZ3-CG 4.29Å; S668-R700 WeakPolarHBondContact CA-O 3.34Å; Q669-R700 HydrophobicContact CG-CB 3.95Å; Q669-R700 HydrophobicContact CG-CG 4.17Å; Q669-R700 WeakPolarHBondContact CG-O 3.34Å; Q669-R700 PolarHBondContact N-O 3.4Å; Q669-R700 VanDerWaalsContact NE2-CZ 3.28Å; Q669-R700 PolarHBondContact O-N 2.72Å |
| 701 | A | 79.1 | Confident | 72 | Confident | 52 Ų | 52 | 86 Ų | 86 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 141.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G667 L704 | G667-A701 WeakPolarHBondContact O-CA 3.27Å; A701-L704 HydrophobicContact CB-CD1 3.93Å; A701-L704 HydrophobicContact CB-CD2 3.71Å; A701-L704 HydrophobicContact CB-CG 3.87Å |
| 702 | C | 79.5 | Confident | 72.4 | Confident | 10 Ų | 10 | 84 Ų | 84 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 159.6 | -174.6 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | C661 G667 Q669 L704 | C661-C702 WeakPolarHBondContact CA-SG 3.28Å; C661-C702 HydrophobicContact CB-CB 3.78Å; C661-C702 WeakPolarHBondContact CB-SG 3.35Å; C661-C702 WeakPolarHBondContact SG-CB 3.22Å; C661-C702 CovalentContact SG-SG 2.02Å; C661-C702 PolarHBondContact SG-SG 3.5Å; G667-C702 PolarHBondContact N-O 2.84Å; G667-C702 PolarHBondContact O-N 2.94Å; G667-C702 PolarHBondContact O-SG 3.13Å; Q669-C702 HydrophobicContact CB-CB 4.24Å; Q669-C702 HydrophobicContact CG-CB 3.84Å; Q669-C702 PolarHBondContact N-SG 3.18Å; C702-L704 PolarHBondContact O-N 2.78Å; C702-L704 VanDerWaalsContact O-N 3.11Å |
| 703 | N | 77.8 | Confident | 72.8 | Confident | 66 Ų | 66 | 84 Ų | 84 | 35% | 0.353 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 49.6 | 34.2 | -169.4 | -63.1 | -27.7 | 0 | 0 | 0 | 112.8 | C661 R663 I664 C665 Q666 H705 C706 | C661-N703 PolarHBondContact SG-ND2 2.91Å; R663-N703 PolarHBondContact O-ND2 3.08Å; I664-N703 WeakPolarHBondContact O-CB 3.3Å; I664-N703 PolarHBondContact O-ND2 2.92Å; C665-N703 WeakPolarHBondContact CA-O 2.99Å; Q666-N703 PolarHBondContact N-O 3.02Å; N703-H705 PolarHBondContact O-N 3.22Å; N703-C706 PolarHBondContact O-N 3.26Å |
| 704 | L | 72.7 | Confident | 73 | Confident | 105 Ų | 105 | 80.8 Ų | 80.8 | 55% | 0.55 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -30.7 | 178.1 | -77.6 | 177.7 | 0 | 0 | 0 | 112.8 | A701 C702 C706 | A701-L704 HydrophobicContact CB-CD1 3.93Å; A701-L704 HydrophobicContact CB-CD2 3.71Å; A701-L704 HydrophobicContact CB-CG 3.87Å; C702-L704 PolarHBondContact O-N 2.78Å; C702-L704 VanDerWaalsContact O-N 3.11Å; L704-C706 PolarHBondContact O-N 2.59Å |
| 705 | H | 73.6 | Confident | 73.3 | Confident | 141 Ų | 141 | 81 Ų | 81 | 65% | 0.653 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 10 | 177.6 | -57.6 | -74.8 | 0 | 0 | 0 | 113.7 | N703 S737 S738 | N703-H705 PolarHBondContact O-N 3.22Å; H705-S737 CarbonylContact O-C 3.56Å; H705-S737 WeakPolarHBondContact O-CA 3.48Å; H705-S738 PolarHBondContact O-N 3.3Å; H705-S738 PolarHBondContact O-OG 3.4Å |
| 706 | C | 75.5 | Confident | 73.7 | Confident | 8 Ų | 8 | 80.8 Ų | 80.8 | 5% | 0.054 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161.9 | 166.6 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | I664 C665 Q666 N703 L704 K735 F736 | I664-C706 PolarHBondContact O-SG 3.31Å; C665-C706 WeakPolarHBondContact CA-SG 3.28Å; C665-C706 HydrophobicContact CB-CB 4.14Å; C665-C706 VanDerWaalsContact CB-O 3.31Å; C665-C706 WeakPolarHBondContact CB-O 3.31Å; C665-C706 WeakPolarHBondContact CB-SG 3.02Å; C665-C706 VanDerWaalsContact SG-C 3.59Å; C665-C706 WeakPolarHBondContact SG-CB 3.45Å; C665-C706 CovalentContact SG-SG 2.05Å; C665-C706 PolarHBondContact SG-SG 2.9Å; Q666-C706 WeakPolarHBondContact CG-O 3.31Å; N703-C706 PolarHBondContact O-N 3.26Å; L704-C706 PolarHBondContact O-N 2.59Å; C706-K735 HydrophobicContact CB-CG 4.09Å; C706-K735 WeakPolarHBondContact SG-CE 3.46Å; C706-F736 WeakPolarHBondContact CA-O 3.33Å; C706-F736 WeakPolarHBondContact CB-O 3.23Å |
| 707 | Q | 74.8 | Confident | 74 | Confident | 80 Ų | 80 | 80.8 Ų | 80.8 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.3 | 171.4 | -96.1 | -177.9 | -24.7 | 0 | 0 | 110 | Q666 K735 F736 | Q666-Q707 VanDerWaalsContact CD-CG 3.41Å; Q666-Q707 HydrophobicContact CG-CG 3.75Å; Q666-Q707 VanDerWaalsContact OE1-NE2 3.11Å; Q707-K735 WeakPolarHBondContact O-CA 3.39Å; Q707-F736 HydrophobicContact CB-CD1 4.33Å; Q707-F736 HydrophobicContact CB-CE1 3.54Å; Q707-F736 HydrophobicContact CB-CE2 3.98Å; Q707-F736 HydrophobicContact CB-CZ 3.36Å; Q707-F736 HydrophobicContact CG-CZ 4.38Å; Q707-F736 PolarHBondContact N-O 2.9Å; Q707-F736 VanDerWaalsContact O-CD1 3.31Å; Q707-F736 WeakPolarHBondContact O-CD1 3.49Å; Q707-F736 PolarHBondContact O-N 3.07Å; Q707-F736 VanDerWaalsContact O-N 3.16Å |
| 708 | T | 81.1 | Confident | 74.3 | Confident | 32 Ų | 32 | 73 Ų | 73 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 138.5 | 167.3 | 49.9 | 0 | 0 | 0 | 0 | 111 | I664 C665 V734 H749 | I664-T708 HydrophobicContact CD1-CG2 3.82Å; I664-T708 HydrophobicContact CG1-CG2 3.99Å; C665-T708 HydrophobicContact CB-CG2 4.13Å; T708-V734 VanDerWaalsContact CA-O 3.32Å; T708-V734 WeakPolarHBondContact CA-O 3.35Å; T708-H749 WeakPolarHBondContact CB-O 3.37Å; T708-H749 HydrophobicContact CG2-CB 4.18Å; T708-H749 PolarHBondContact OG1-O 3.14Å |
| 709 | R | 78.1 | Confident | 75.3 | Confident | 160 Ų | 160 | 72.1 Ų | 72.1 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 144.4 | 178.8 | 171.8 | 170.6 | 179 | 174.7 | 2.4 | 110.1 | E711 V734 F736 C750 | R709-E711 PolarHBondContact O-N 2.71Å; R709-V734 PolarHBondContact N-O 3.31Å; R709-V734 WeakPolarHBondContact O-CG2 3.46Å; R709-V734 PolarHBondContact O-N 2.88Å; R709-F736 HydrophobicContact CB-CE1 4.11Å; R709-C750 VanDerWaalsContact C-SG 3.54Å |
| 710 | W | 83 | Confident | 75.3 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 6% | 0.064 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 112.6 | 160 | -62.9 | 114.2 | 0 | 0 | 0 | 109.3 | V731 C733 C750 K753 E754 K755 P756 | W710-V731 HydrophobicContact CB-CG1 4.34Å; W710-V731 HydrophobicContact CD2-CG1 4.41Å; W710-V731 HydrophobicContact CE3-CG1 3.92Å; W710-C733 HydrophobicContact CE3-CB 4.11Å; W710-C733 HydrophobicContact CH2-CB 4.49Å; W710-C733 HydrophobicContact CZ3-CB 3.92Å; W710-C750 HydrophobicContact CD2-CB 3.69Å; W710-C750 HydrophobicContact CE3-CB 4.15Å; W710-C750 HydrophobicContact CG-CB 4.19Å; W710-C750 HydrophobicContact CH2-CB 3.98Å; W710-C750 HydrophobicContact CZ2-CB 3.52Å; W710-C750 HydrophobicContact CZ3-CB 4.29Å; W710-C750 PolarHBondContact NE1-O 2.78Å; W710-C750 VanDerWaalsContact NE1-O 3.11Å; W710-K753 PolarHBondContact NE1-O 2.86Å; W710-E754 VanDerWaalsContact CD1-O 3.23Å; W710-K755 HydrophobicContact CD2-CB 4.33Å; W710-K755 HydrophobicContact CD2-CG 3.97Å; W710-K755 HydrophobicContact CE3-CD 4.46Å; W710-K755 HydrophobicContact CE3-CG 4.11Å; W710-K755 HydrophobicContact CH2-CD 3.69Å; W710-K755 HydrophobicContact CH2-CG 4.06Å; W710-K755 HydrophobicContact CZ2-CB 3.95Å; W710-K755 HydrophobicContact CZ2-CD 3.86Å; W710-K755 HydrophobicContact CZ2-CG 3.87Å; W710-K755 HydrophobicContact CZ3-CD 4Å; W710-K755 HydrophobicContact CZ3-CG 4.16Å; W710-P756 HydrophobicContact CB-CG 3.75Å; W710-P756 VanDerWaalsContact CG-CD 3.47Å; W710-P756 HydrophobicContact CG-CG 4.41Å |
| 711 | E | 73.7 | Confident | 75 | Confident | 60 Ų | 60 | 69 Ų | 69 | 28% | 0.28 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131 | 171.1 | -170.2 | 158 | -120.9 | 0 | 0 | 108.9 | R709 S732 V734 K742 | R709-E711 PolarHBondContact O-N 2.71Å; E711-S732 PolarHBondContact N-O 3.37Å; E711-S732 PolarHBondContact O-N 2.76Å; E711-V734 HydrophobicContact CB-CG1 4.41Å; E711-V734 HydrophobicContact CB-CG2 3.64Å; E711-K742 IonicContact OE1-NZ 2.77Å; E711-K742 PolarHBondContact OE1-NZ 3.34Å; E711-K742 IonicContact OE2-NZ 2.69Å; E711-K742 PolarHBondContact OE2-NZ 3.3Å |
| 712 | S | 71.2 | Confident | 74.7 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 42% | 0.42 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 101.4 | -175.6 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | Q730 | S712-Q730 CarbonylContact C-O 3.42Å; S712-Q730 WeakPolarHBondContact CA-O 3.29Å |
| 713 | T | 72.3 | Confident | 73.9 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 142.2 | 176.1 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | L715 M729 Q730 | T713-L715 PolarHBondContact O-N 3.46Å; T713-M729 CarbonylContact O-C 3.5Å; T713-M729 WeakPolarHBondContact O-CA 3.39Å; T713-Q730 PolarHBondContact N-O 3.32Å; T713-Q730 PolarHBondContact O-N 2.92Å; T713-Q730 PolarHBondContact OG1-O 2.87Å |
| 714 | P | 69.4 | Low | 73.4 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 53% | 0.532 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 116.8 | 174.6 | 27.8 | -32.9 | 0 | 0 | 0 | 109.8 | Q727 M729 | P714-Q727 HydrophobicContact CB-CG 4.43Å; P714-Q727 VanDerWaalsContact CB-NE2 3.31Å; P714-M729 HydrophobicContact CB-CE 4.19Å; P714-M729 HydrophobicContact CB-SD 4.21Å |
| 715 | L | 73.1 | Confident | 73.6 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 60% | 0.597 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -88.8 | -27.8 | 177.2 | -172.8 | 65.1 | 0 | 0 | 0 | 111.5 | T713 V728 Q730 | T713-L715 PolarHBondContact O-N 3.46Å; L715-V728 HydrophobicContact CB-CG1 4.36Å; L715-V728 HydrophobicContact CD2-CG1 4.23Å; L715-V728 PolarHBondContact N-O 3.42Å; L715-Q730 HydrophobicContact CB-CB 4.17Å; L715-Q730 HydrophobicContact CD1-CB 4.48Å |
| 716 | S | 76.3 | Confident | 73.9 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -115 | 160.6 | 169.8 | 77.8 | 0 | 0 | 0 | 0 | 111.5 | Q727 V728 | S716-Q727 VanDerWaalsContact O-CG 3.28Å; S716-Q727 WeakPolarHBondContact O-CG 3.36Å; S716-Q727 PolarHBondContact O-NE2 2.85Å; S716-V728 PolarHBondContact N-O 2.04Å; S716-V728 PolarHBondContact OG-N 3.12Å |
| 717 | D | 71.9 | Confident | 73.8 | Confident | 117 Ų | 117 | 66 Ų | 66 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | trans | -63.4 | 168.5 | 155.8 | -133.7 | -56.2 | 0 | 0 | 0 | 110.3 | K764 | D717-K764 IonicContact OD1-NZ 3.94Å; D717-K764 PolarHBondContact OD1-NZ 2.68Å | ||
| 718 | C | 72.3 | Confident | 73.8 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.074 | 39% | 0.39 | C | S | . | . | trans | -66.2 | 136.2 | 169.8 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | V720 C762 K764 | C718-V720 PolarHBondContact O-N 2.8Å; C718-C762 WeakPolarHBondContact CA-SG 3.5Å; C718-C762 HydrophobicContact CB-CB 3.88Å; C718-C762 WeakPolarHBondContact CB-SG 3.41Å; C718-C762 WeakPolarHBondContact SG-CB 3.42Å; C718-C762 CovalentContact SG-SG 2.03Å; C718-C762 PolarHBondContact SG-SG 3.38Å; C718-K764 HydrophobicContact CB-CD 4.44Å | ||
| 719 | S | 80.5 | Confident | 73.3 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 60% | 0.601 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -63.7 | -6.5 | -174.6 | 69.2 | 0 | 0 | 0 | 0 | 115.5 | G725 E726 | S719-G725 WeakPolarHBondContact OG-CA 3.49Å; S719-E726 WeakPolarHBondContact CB-O 3.41Å; S719-E726 PolarHBondContact N-O 3.02Å; S719-E726 PolarHBondContact OG-N 3.44Å; S719-E726 PolarHBondContact OG-O 2.93Å |
| 720 | V | 72.9 | Confident | 73.3 | Confident | 47 Ų | 47 | 60.8 Ų | 60.8 | 29% | 0.285 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -128.9 | 147.6 | 173 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | C718 C722 G723 | C718-V720 PolarHBondContact O-N 2.8Å; V720-C722 WeakPolarHBondContact CG2-O 3.45Å; V720-G723 WeakPolarHBondContact CG2-O 3.45Å |
| 721 | A | 65.9 | Low | 73.1 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 78% | 0.777 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -70.7 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K764 | A721-K764 WeakPolarHBondContact O-CD 3.33Š|
| 722 | C | 72.5 | Confident | 73.5 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -146.9 | 163.7 | 162.7 | 84.8 | 0 | 0 | 0 | 0 | 109.9 | V720 K764 C766 | V720-C722 WeakPolarHBondContact CG2-O 3.45Å; C722-K764 CarbonylContact C-O 3.57Å; C722-K764 WeakPolarHBondContact CA-O 3.48Å; C722-K764 HydrophobicContact CB-CB 4.39Å; C722-K764 WeakPolarHBondContact CB-O 3.35Å; C722-C766 HydrophobicContact CB-CB 3.88Å; C722-C766 WeakPolarHBondContact CB-SG 3.49Å; C722-C766 WeakPolarHBondContact SG-CB 3.26Å; C722-C766 CovalentContact SG-SG 2.05Å; C722-C766 PolarHBondContact SG-SG 3.27Å |
| 723 | G | 62.5 | Low | 74.2 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.8 | -166.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V720 Y763 K764 | V720-G723 WeakPolarHBondContact CG2-O 3.45Å; G723-Y763 WeakPolarHBondContact O-CA 3.49Å; G723-K764 PolarHBondContact N-O 2.78Å; G723-K764 PolarHBondContact O-N 2.97Å |
| 724 | S | 67.5 | Low | 74.6 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 67% | 0.671 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.8 | -178.5 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | C762 | S724-C762 CarbonylContact C-O 3.59Å; S724-C762 WeakPolarHBondContact CA-O 3.3Å |
| 725 | G | 77.2 | Confident | 75.1 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | -161 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | S719 Q761 C762 | S719-G725 WeakPolarHBondContact OG-CA 3.49Å; G725-Q761 WeakPolarHBondContact O-CA 3.34Å; G725-C762 PolarHBondContact N-O 2.91Å; G725-C762 PolarHBondContact O-N 3.44Å; G725-C762 PolarHBondContact O-SG 2.99Å |
| 726 | E | 79.5 | Confident | 74.7 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.3 | -179.8 | -62.6 | -169.4 | 141.8 | 0 | 0 | 111 | S719 T759 Q761 C762 | S719-E726 WeakPolarHBondContact CB-O 3.41Å; S719-E726 PolarHBondContact N-O 3.02Å; S719-E726 PolarHBondContact OG-N 3.44Å; S719-E726 PolarHBondContact OG-O 2.93Å; E726-T759 HydrophobicContact CB-CG2 4.25Å; E726-Q761 HydrophobicContact CG-CG 4.45Å; E726-C762 VanDerWaalsContact C-SG 3.54Å |
| 727 | Q | 74.8 | Confident | 74.3 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.5 | -177.3 | -168.7 | 171.9 | 28.7 | 0 | 0 | 109.7 | P714 S716 M729 T759 R760 C762 | P714-Q727 HydrophobicContact CB-CG 4.43Å; P714-Q727 VanDerWaalsContact CB-NE2 3.31Å; S716-Q727 VanDerWaalsContact O-CG 3.28Å; S716-Q727 WeakPolarHBondContact O-CG 3.36Å; S716-Q727 PolarHBondContact O-NE2 2.85Å; Q727-M729 HydrophobicContact CB-CE 4.33Å; Q727-M729 HydrophobicContact CG-CE 3.95Å; Q727-T759 WeakPolarHBondContact O-CA 3.09Å; Q727-R760 PolarHBondContact N-O 3.16Å; Q727-R760 PolarHBondContact O-N 3.19Å; Q727-C762 HydrophobicContact CB-CB 4.27Å |
| 728 | V | 74.9 | Confident | 73.8 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.9 | 177.5 | -175.9 | 0 | 0 | 0 | 0 | 109 | L715 S716 | L715-V728 HydrophobicContact CB-CG1 4.36Å; L715-V728 HydrophobicContact CD2-CG1 4.23Å; L715-V728 PolarHBondContact N-O 3.42Å; S716-V728 PolarHBondContact N-O 2.04Å; S716-V728 PolarHBondContact OG-N 3.12Å |
| 729 | M | 69.1 | Low | 73.2 | Confident | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.069 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.1 | -177.7 | -70.3 | -70.1 | 168.4 | 0 | 0 | 110.2 | T713 P714 Q727 V731 A758 R760 | T713-M729 CarbonylContact O-C 3.5Å; T713-M729 WeakPolarHBondContact O-CA 3.39Å; P714-M729 HydrophobicContact CB-CE 4.19Å; P714-M729 HydrophobicContact CB-SD 4.21Å; Q727-M729 HydrophobicContact CB-CE 4.33Å; Q727-M729 HydrophobicContact CG-CE 3.95Å; M729-V731 HydrophobicContact CB-CG2 4.3Å; M729-V731 PolarHBondContact O-N 2.96Å; M729-A758 PolarHBondContact N-O 3.15Å; M729-R760 HydrophobicContact CE-CB 4.05Å; M729-R760 HydrophobicContact CG-CB 4.11Å |
| 730 | Q | 79 | Confident | 72.1 | Confident | 80 Ų | 80 | 60.4 Ų | 60.4 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 108.8 | 165.3 | 174.1 | 176.6 | -20.2 | 0 | 0 | 108.2 | S712 T713 L715 S732 | S712-Q730 CarbonylContact C-O 3.42Å; S712-Q730 WeakPolarHBondContact CA-O 3.29Å; T713-Q730 PolarHBondContact N-O 3.32Å; T713-Q730 PolarHBondContact O-N 2.92Å; T713-Q730 PolarHBondContact OG1-O 2.87Å; L715-Q730 HydrophobicContact CB-CB 4.17Å; L715-Q730 HydrophobicContact CD1-CB 4.48Å; Q730-S732 PolarHBondContact NE2-OG 3.38Å |
| 731 | V | 79.7 | Confident | 71.3 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 15% | 0.152 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | W710 M729 K755 P756 | W710-V731 HydrophobicContact CB-CG1 4.34Å; W710-V731 HydrophobicContact CD2-CG1 4.41Å; W710-V731 HydrophobicContact CE3-CG1 3.92Å; M729-V731 HydrophobicContact CB-CG2 4.3Å; M729-V731 PolarHBondContact O-N 2.96Å; V731-K755 HydrophobicContact CG1-CG 4.1Å; V731-P756 HydrophobicContact CG1-CB 4.13Å; V731-P756 HydrophobicContact CG1-CG 4.17Å; V731-P756 HydrophobicContact CG2-CB 4.14Å |
| 732 | S | 81.2 | Confident | 71.1 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.3 | -177.5 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | E711 Q730 | E711-S732 PolarHBondContact N-O 3.37Å; E711-S732 PolarHBondContact O-N 2.76Å; Q730-S732 PolarHBondContact NE2-OG 3.38Å |
| 733 | C | 85.1 | Confident | 71.3 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.9 | 170.6 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | W710 I744 V745 C750 | W710-C733 HydrophobicContact CE3-CB 4.11Å; W710-C733 HydrophobicContact CH2-CB 4.49Å; W710-C733 HydrophobicContact CZ3-CB 3.92Å; C733-I744 WeakPolarHBondContact O-CA 3.42Å; C733-V745 PolarHBondContact O-N 3.44Å; C733-C750 WeakPolarHBondContact CA-SG 3.41Å; C733-C750 HydrophobicContact CB-CB 3.75Å; C733-C750 WeakPolarHBondContact CB-SG 3.15Å; C733-C750 WeakPolarHBondContact SG-CB 3.45Å; C733-C750 PolarHBondContact SG-N 3.06Å; C733-C750 CovalentContact SG-SG 2.04Å; C733-C750 PolarHBondContact SG-SG 3.32Å |
| 734 | V | 81.4 | Confident | 71.9 | Confident | 10 Ų | 10 | 73.6 Ų | 73.6 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.6 | 178.7 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | T708 R709 E711 H743 I744 | T708-V734 VanDerWaalsContact CA-O 3.32Å; T708-V734 WeakPolarHBondContact CA-O 3.35Å; R709-V734 PolarHBondContact N-O 3.31Å; R709-V734 WeakPolarHBondContact O-CG2 3.46Å; R709-V734 PolarHBondContact O-N 2.88Å; E711-V734 HydrophobicContact CB-CG1 4.41Å; E711-V734 HydrophobicContact CB-CG2 3.64Å; V734-H743 CarbonylContact C-O 3.54Å; V734-H743 WeakPolarHBondContact CA-O 3.18Å; V734-I744 HydrophobicContact CG1-CG1 4.01Å |
| 735 | K | 79.6 | Confident | 72.3 | Confident | 67 Ų | 67 | 71 Ų | 71 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.3 | 162.8 | 158.6 | 164.7 | 178.6 | 155.2 | 0 | 107.6 | I664 C665 C706 Q707 K742 H743 V745 | I664-K735 HydrophobicContact CD1-CB 4.43Å; I664-K735 HydrophobicContact CD1-CD 4.36Å; I664-K735 PolarHBondContact O-NZ 2.87Å; C665-K735 VanDerWaalsContact SG-CD 3.57Å; C665-K735 VanDerWaalsContact SG-CG 3.53Å; C706-K735 HydrophobicContact CB-CG 4.09Å; C706-K735 WeakPolarHBondContact SG-CE 3.46Å; Q707-K735 WeakPolarHBondContact O-CA 3.39Å; K735-K742 WeakPolarHBondContact O-CA 3.04Å; K735-H743 PolarHBondContact N-O 3.3Å; K735-H743 PolarHBondContact O-N 3.38Å; K735-V745 HydrophobicContact CB-CG2 3.57Å |
| 736 | F | 65.3 | Low | 72.5 | Confident | 72 Ų | 72 | 74.8 Ų | 74.8 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129 | 172.6 | 61.6 | -89.5 | 0 | 0 | 0 | 110.9 | C706 Q707 R709 E741 K742 | C706-F736 WeakPolarHBondContact CA-O 3.33Å; C706-F736 WeakPolarHBondContact CB-O 3.23Å; Q707-F736 HydrophobicContact CB-CD1 4.33Å; Q707-F736 HydrophobicContact CB-CE1 3.54Å; Q707-F736 HydrophobicContact CB-CE2 3.98Å; Q707-F736 HydrophobicContact CB-CZ 3.36Å; Q707-F736 HydrophobicContact CG-CZ 4.38Å; Q707-F736 PolarHBondContact N-O 2.9Å; Q707-F736 VanDerWaalsContact O-CD1 3.31Å; Q707-F736 WeakPolarHBondContact O-CD1 3.49Å; Q707-F736 PolarHBondContact O-N 3.07Å; Q707-F736 VanDerWaalsContact O-N 3.16Å; R709-F736 HydrophobicContact CB-CE1 4.11Å; F736-E741 WeakPolarHBondContact CA-O 3.48Å; F736-K742 HydrophobicContact CB-CG 4.28Å |
| 737 | S | 66.9 | Low | 72.4 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 26% | 0.259 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 158.2 | 175.1 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | H705 E739 Q740 E741 | H705-S737 CarbonylContact O-C 3.56Å; H705-S737 WeakPolarHBondContact O-CA 3.48Å; S737-E739 PolarHBondContact O-N 3.13Å; S737-E739 PolarHBondContact OG-N 2.87Å; S737-Q740 PolarHBondContact O-N 3.42Å; S737-E741 PolarHBondContact N-O 2.88Å |
| 738 | S | 62.8 | Low | 72.5 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -33.8 | 162.3 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | H705 Q740 | H705-S738 PolarHBondContact O-N 3.3Å; H705-S738 PolarHBondContact O-OG 3.4Å; S738-Q740 PolarHBondContact O-N 2.69Å |
| 739 | E | 59.8 | Low | 72.7 | Confident | 154 Ų | 154 | 74.4 Ų | 74.4 | 72% | 0.72 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 26.6 | 178 | -58.5 | -55.4 | 127.9 | 0 | 0 | 113.5 | S737 E741 | S737-E739 PolarHBondContact O-N 3.13Å; S737-E739 PolarHBondContact OG-N 2.87Å; E739-E741 PolarHBondContact O-N 3.03Å |
| 740 | Q | 56.5 | Low | 73.2 | Confident | 178 Ų | 178 | 73.8 Ų | 73.8 | 83% | 0.832 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 60.6 | -11.5 | 179 | -54.3 | -171.3 | 6.4 | 0 | 0 | 117.5 | S737 S738 K742 | S737-Q740 PolarHBondContact O-N 3.42Å; S738-Q740 PolarHBondContact O-N 2.69Å; Q740-K742 PolarHBondContact O-N 2.84Å |
| 741 | E | 57.2 | Low | 73 | Confident | 134 Ų | 134 | 75.4 Ų | 75.4 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | trans | -60.3 | 129.9 | 174.6 | -68.6 | -167.5 | 142.1 | 0 | 0 | 112 | F736 S737 E739 | F736-E741 WeakPolarHBondContact CA-O 3.48Å; S737-E741 PolarHBondContact N-O 2.88Å; E739-E741 PolarHBondContact O-N 3.03Å | ||
| 742 | K | 61.1 | Low | 72.4 | Confident | 120 Ų | 120 | 79.9 Ų | 79.9 | 52% | 0.522 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.8 | 177.9 | -69.3 | -175.5 | 170.1 | -166.7 | 0 | 110.4 | E711 K735 F736 Q740 | E711-K742 IonicContact OE1-NZ 2.77Å; E711-K742 PolarHBondContact OE1-NZ 3.34Å; E711-K742 IonicContact OE2-NZ 2.69Å; E711-K742 PolarHBondContact OE2-NZ 3.3Å; K735-K742 WeakPolarHBondContact O-CA 3.04Å; F736-K742 HydrophobicContact CB-CG 4.28Å; Q740-K742 PolarHBondContact O-N 2.84Å |
| 743 | H | 76 | Confident | 71.7 | Confident | 125 Ų | 125 | 84.3 Ų | 84.3 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.7 | 169.8 | -89.5 | -95.8 | 0 | 0 | 0 | 110.9 | V734 K735 | V734-H743 CarbonylContact C-O 3.54Å; V734-H743 WeakPolarHBondContact CA-O 3.18Å; K735-H743 PolarHBondContact N-O 3.3Å; K735-H743 PolarHBondContact O-N 3.38Å |
| 744 | I | 75 | Confident | 71.2 | Confident | 120 Ų | 120 | 93.4 Ų | 93.4 | 62% | 0.615 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 136.1 | 164.9 | -60.3 | 170.9 | 0 | 0 | 0 | 107.8 | C733 V734 | C733-I744 WeakPolarHBondContact O-CA 3.42Å; V734-I744 HydrophobicContact CG1-CG1 4.01Å |
| 745 | V | 76.9 | Confident | 71.1 | Confident | 41 Ų | 41 | 98.8 Ų | 98.8 | 25% | 0.248 | 50% | 0.495 | C | S | . | . | trans | -131.9 | 163.3 | 178.8 | -152 | 0 | 0 | 0 | 0 | 109.3 | I664 C733 K735 S747 | I664-V745 HydrophobicContact CD1-CB 4.04Å; I664-V745 HydrophobicContact CD1-CG1 3.71Å; I664-V745 HydrophobicContact CD1-CG2 3.89Å; C733-V745 PolarHBondContact O-N 3.44Å; K735-V745 HydrophobicContact CB-CG2 3.57Å; V745-S747 PolarHBondContact O-N 2.98Å | ||
| 746 | D | 79.7 | Confident | 71 | Confident | 92 Ų | 92 | 97.6 Ų | 97.6 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | trans | -55.7 | 140.8 | 178.5 | 176.4 | 62.7 | 0 | 0 | 0 | 112.3 | S748 H749 | D746-S748 PolarHBondContact O-N 2.96Å; D746-S748 VanDerWaalsContact OD2-CB 3.29Å; D746-S748 WeakPolarHBondContact OD2-CB 3.22Å; D746-S748 PolarHBondContact OD2-N 3.45Å; D746-S748 PolarHBondContact OD2-OG 3.03Å; D746-H749 PolarHBondContact O-N 3.07Å; D746-H749 VanDerWaalsContact O-N 3.1Å; D746-H749 PolarHBondContact O-ND1 3.07Å | ||
| 747 | S | 78.6 | Confident | 71.4 | Confident | 54 Ų | 54 | 99 Ų | 99 | 38% | 0.378 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -42.1 | -41.2 | -177.9 | -22.6 | 0 | 0 | 0 | 0 | 114.4 | V745 H749 C750 | V745-S747 PolarHBondContact O-N 2.98Å; S747-H749 PolarHBondContact O-N 2.7Å; S747-H749 VanDerWaalsContact O-N 3.07Å; S747-C750 PolarHBondContact O-N 3.48Å |
| 748 | S | 77.4 | Confident | 71.7 | Confident | 63 Ų | 63 | 99.9 Ų | 99.9 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -57.2 | -26.1 | -175.3 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | D746 C750 D751 | D746-S748 PolarHBondContact O-N 2.96Å; D746-S748 VanDerWaalsContact OD2-CB 3.29Å; D746-S748 WeakPolarHBondContact OD2-CB 3.22Å; D746-S748 PolarHBondContact OD2-N 3.45Å; D746-S748 PolarHBondContact OD2-OG 3.03Å; S748-C750 PolarHBondContact O-N 2.76Å; S748-D751 PolarHBondContact O-N 3.15Å |
| 749 | H | 78.1 | Confident | 72.1 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 34% | 0.343 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -73.6 | -2.8 | 178.3 | -57 | 87.8 | 0 | 0 | 0 | 114 | I664 T708 D746 S747 | I664-H749 HydrophobicContact CD1-CB 3.78Å; I664-H749 HydrophobicContact CG1-CB 4.35Å; T708-H749 WeakPolarHBondContact CB-O 3.37Å; T708-H749 HydrophobicContact CG2-CB 4.18Å; T708-H749 PolarHBondContact OG1-O 3.14Å; D746-H749 PolarHBondContact O-N 3.07Å; D746-H749 VanDerWaalsContact O-N 3.1Å; D746-H749 PolarHBondContact O-ND1 3.07Å; S747-H749 PolarHBondContact O-N 2.7Å; S747-H749 VanDerWaalsContact O-N 3.07Å |
| 750 | C | 80.4 | Confident | 72.5 | Confident | 0 Ų | 0 | 98.7 Ų | 98.7 | 0% | 0 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -121.1 | 4 | 175.8 | -69.9 | 0 | 0 | 0 | 0 | 113.9 | R709 W710 C733 S747 S748 D752 K753 | R709-C750 VanDerWaalsContact C-SG 3.54Å; W710-C750 HydrophobicContact CD2-CB 3.69Å; W710-C750 HydrophobicContact CE3-CB 4.15Å; W710-C750 HydrophobicContact CG-CB 4.19Å; W710-C750 HydrophobicContact CH2-CB 3.98Å; W710-C750 HydrophobicContact CZ2-CB 3.52Å; W710-C750 HydrophobicContact CZ3-CB 4.29Å; W710-C750 PolarHBondContact NE1-O 2.78Å; W710-C750 VanDerWaalsContact NE1-O 3.11Å; C733-C750 WeakPolarHBondContact CA-SG 3.41Å; C733-C750 HydrophobicContact CB-CB 3.75Å; C733-C750 WeakPolarHBondContact CB-SG 3.15Å; C733-C750 WeakPolarHBondContact SG-CB 3.45Å; C733-C750 PolarHBondContact SG-N 3.06Å; C733-C750 CovalentContact SG-SG 2.04Å; C733-C750 PolarHBondContact SG-SG 3.32Å; S747-C750 PolarHBondContact O-N 3.48Å; S748-C750 PolarHBondContact O-N 2.76Å; C750-D752 PolarHBondContact O-N 2.93Å; C750-K753 WeakPolarHBondContact O-CB 3.29Å; C750-K753 PolarHBondContact O-N 3.09Å |
| 751 | D | 73.6 | Confident | 73.4 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -21.1 | -175.4 | -74.4 | -15.4 | 0 | 0 | 0 | 114 | S748 K753 | S748-D751 PolarHBondContact O-N 3.15Å; D751-K753 PolarHBondContact O-N 3.24Å; D751-K753 VanDerWaalsContact O-N 3.13Å |
| 752 | D | 68.6 | Low | 73.8 | Confident | 119 Ų | 119 | 92 Ų | 92 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -4.7 | 168.2 | -81.3 | 5.8 | 0 | 0 | 0 | 113.7 | R663 C750 | R663-D752 IonicContact CZ-OD2 3.01Å; R663-D752 IonicContact NH1-OD2 2.74Å; R663-D752 PolarHBondContact NH1-OD2 3.01Å; R663-D752 IonicContact NH2-OD1 3.4Å; R663-D752 IonicContact NH2-OD2 2.87Å; R663-D752 PolarHBondContact NH2-OD2 2.9Å; C750-D752 PolarHBondContact O-N 2.93Å |
| 753 | K | 66.2 | Low | 73.9 | Confident | 117 Ų | 117 | 90.8 Ų | 90.8 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -123.9 | 137.4 | -179.5 | -53.2 | -69.2 | -175 | 178.1 | 0 | 109.1 | W710 C750 D751 K755 | W710-K753 PolarHBondContact NE1-O 2.86Å; C750-K753 WeakPolarHBondContact O-CB 3.29Å; C750-K753 PolarHBondContact O-N 3.09Å; D751-K753 PolarHBondContact O-N 3.24Å; D751-K753 VanDerWaalsContact O-N 3.13Å; K753-K755 PolarHBondContact O-N 2.7Å |
| 754 | E | 74.3 | Confident | 73.2 | Confident | 195 Ų | 195 | 88.8 Ų | 88.8 | 91% | 0.911 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 128.8 | 171.7 | -73.1 | -172.1 | 124 | 0 | 0 | 111 | W710 P756 | W710-E754 VanDerWaalsContact CD1-O 3.23Å; E754-P756 WeakPolarHBondContact O-CD 3.42Å |
| 755 | K | 78.6 | Confident | 72.3 | Confident | 122 Ų | 122 | 84.7 Ų | 84.7 | 53% | 0.53 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -79 | 120.8 | -176.7 | -172.9 | 171.5 | -174 | 170.8 | 0 | 110.2 | W710 V731 K753 | W710-K755 HydrophobicContact CD2-CB 4.33Å; W710-K755 HydrophobicContact CD2-CG 3.97Å; W710-K755 HydrophobicContact CE3-CD 4.46Å; W710-K755 HydrophobicContact CE3-CG 4.11Å; W710-K755 HydrophobicContact CH2-CD 3.69Å; W710-K755 HydrophobicContact CH2-CG 4.06Å; W710-K755 HydrophobicContact CZ2-CB 3.95Å; W710-K755 HydrophobicContact CZ2-CD 3.86Å; W710-K755 HydrophobicContact CZ2-CG 3.87Å; W710-K755 HydrophobicContact CZ3-CD 4Å; W710-K755 HydrophobicContact CZ3-CG 4.16Å; V731-K755 HydrophobicContact CG1-CG 4.1Å; K753-K755 PolarHBondContact O-N 2.7Å |
| 756 | P | 78.9 | Confident | 71.8 | Confident | 42 Ų | 42 | 87.1 Ų | 87.1 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 148.2 | 177.3 | -26.9 | 34.4 | 0 | 0 | 0 | 112.9 | W710 V731 E754 | W710-P756 HydrophobicContact CB-CG 3.75Å; W710-P756 VanDerWaalsContact CG-CD 3.47Å; W710-P756 HydrophobicContact CG-CG 4.41Å; V731-P756 HydrophobicContact CG1-CB 4.13Å; V731-P756 HydrophobicContact CG1-CG 4.17Å; V731-P756 HydrophobicContact CG2-CB 4.14Å; E754-P756 WeakPolarHBondContact O-CD 3.42Å |
| 757 | P | 72.8 | Confident | 71.1 | Confident | 101 Ų | 101 | 84.7 Ų | 84.7 | 66% | 0.656 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 139.9 | 174.8 | 27.8 | -34.3 | 0 | 0 | 0 | 111.1 | T759 | P757-T759 PolarHBondContact O-N 2.64Å; P757-T759 VanDerWaalsContact O-N 3.08Å |
| 758 | A | 72.4 | Confident | 70.1 | Confident | 57 Ų | 57 | 84.3 Ų | 84.3 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -74.3 | 8.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M729 | M729-A758 PolarHBondContact N-O 3.15Š|
| 759 | T | 71.8 | Confident | 69.8 | Low | 70 Ų | 70 | 85.4 Ų | 85.4 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 130.9 | -180 | -42.2 | 0 | 0 | 0 | 0 | 108.4 | E726 Q727 P757 | E726-T759 HydrophobicContact CB-CG2 4.25Å; Q727-T759 WeakPolarHBondContact O-CA 3.09Å; P757-T759 PolarHBondContact O-N 2.64Å; P757-T759 VanDerWaalsContact O-N 3.08Å |
| 760 | R | 67.8 | Low | 69.3 | Low | 135 Ų | 135 | 88.3 Ų | 88.3 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.3 | -179.3 | -169.1 | -169.9 | 64.4 | 162.3 | -7.5 | 109.3 | Q727 M729 | Q727-R760 PolarHBondContact N-O 3.16Å; Q727-R760 PolarHBondContact O-N 3.19Å; M729-R760 HydrophobicContact CE-CB 4.05Å; M729-R760 HydrophobicContact CG-CB 4.11Å |
| 761 | Q | 75.7 | Confident | 69.1 | Low | 158 Ų | 158 | 90 Ų | 90 | 74% | 0.738 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 139.7 | 167.9 | -71.7 | 178.2 | -17.3 | 0 | 0 | 110.1 | G725 E726 | G725-Q761 WeakPolarHBondContact O-CA 3.34Å; E726-Q761 HydrophobicContact CG-CG 4.45Å |
| 762 | C | 67.1 | Low | 68.8 | Low | 13 Ų | 13 | 87.6 Ų | 87.6 | 9% | 0.088 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.1 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | C718 S724 G725 E726 Q727 | C718-C762 WeakPolarHBondContact CA-SG 3.5Å; C718-C762 HydrophobicContact CB-CB 3.88Å; C718-C762 WeakPolarHBondContact CB-SG 3.41Å; C718-C762 WeakPolarHBondContact SG-CB 3.42Å; C718-C762 CovalentContact SG-SG 2.03Å; C718-C762 PolarHBondContact SG-SG 3.38Å; S724-C762 CarbonylContact C-O 3.59Å; S724-C762 WeakPolarHBondContact CA-O 3.3Å; G725-C762 PolarHBondContact N-O 2.91Å; G725-C762 PolarHBondContact O-N 3.44Å; G725-C762 PolarHBondContact O-SG 2.99Å; E726-C762 VanDerWaalsContact C-SG 3.54Å; Q727-C762 HydrophobicContact CB-CB 4.27Å |
| 763 | Y | 62.7 | Low | 68.8 | Low | 95 Ų | 95 | 85.4 Ų | 85.4 | 37% | 0.373 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 116.7 | 174.2 | 178.3 | -101.1 | 0 | 0 | 0 | 108.8 | G723 D765 N809 | G723-Y763 WeakPolarHBondContact O-CA 3.49Å; Y763-D765 HydrophobicContact CD1-CB 4.36Å; Y763-D765 HydrophobicContact CE1-CB 3.62Å; Y763-D765 PolarHBondContact OH-OD1 3.11Å; Y763-N809 HydrophobicContact CD1-CB 4.23Å; Y763-N809 WeakPolarHBondContact CD1-O 2.97Å; Y763-N809 HydrophobicContact CE1-CB 3.75Å |
| 764 | K | 60 | Low | 69 | Low | 83 Ų | 83 | 81.1 Ų | 81.1 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 103 | 172.4 | -83.8 | 179.1 | -176.1 | 170 | 0 | 107.5 | D717 C718 A721 C722 G723 C766 | D717-K764 IonicContact OD1-NZ 3.94Å; D717-K764 PolarHBondContact OD1-NZ 2.68Å; C718-K764 HydrophobicContact CB-CD 4.44Å; A721-K764 WeakPolarHBondContact O-CD 3.33Å; C722-K764 CarbonylContact C-O 3.57Å; C722-K764 WeakPolarHBondContact CA-O 3.48Å; C722-K764 HydrophobicContact CB-CB 4.39Å; C722-K764 WeakPolarHBondContact CB-O 3.35Å; G723-K764 PolarHBondContact N-O 2.78Å; G723-K764 PolarHBondContact O-N 2.97Å; K764-C766 PolarHBondContact O-N 3.46Å |
| 765 | D | 57.4 | Low | 69 | Low | 34 Ų | 34 | 78.9 Ų | 78.9 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | trans | -65.8 | 121.5 | -179.9 | -172.5 | 55.3 | 0 | 0 | 0 | 111.3 | Y763 A767 G768 R769 V810 | Y763-D765 HydrophobicContact CD1-CB 4.36Å; Y763-D765 HydrophobicContact CE1-CB 3.62Å; Y763-D765 PolarHBondContact OH-OD1 3.11Å; D765-A767 PolarHBondContact O-N 3.27Å; D765-A767 PolarHBondContact OD2-N 2.94Å; D765-G768 PolarHBondContact O-N 2.92Å; D765-R769 IonicContact OD1-NH1 2.88Å; D765-R769 PolarHBondContact OD1-NH1 3.4Å; D765-R769 IonicContact OD2-CZ 3.27Å; D765-R769 IonicContact OD2-NH1 2.71Å; D765-R769 PolarHBondContact OD2-NH1 2.88Å; D765-V810 HydrophobicContact CB-CG2 4.49Å | ||
| 766 | C | 64.9 | Low | 68.5 | Low | 91 Ų | 91 | 77 Ų | 77 | 62% | 0.615 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -3.9 | -173.2 | -49.7 | 0 | 0 | 0 | 0 | 114.4 | C722 K764 | C722-C766 HydrophobicContact CB-CB 3.88Å; C722-C766 WeakPolarHBondContact CB-SG 3.49Å; C722-C766 WeakPolarHBondContact SG-CB 3.26Å; C722-C766 CovalentContact SG-SG 2.05Å; C722-C766 PolarHBondContact SG-SG 3.27Å; K764-C766 PolarHBondContact O-N 3.46Å |
| 767 | A | 64.9 | Low | 68.1 | Low | 42 Ų | 42 | 80.6 Ų | 80.6 | 35% | 0.347 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 2.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D765 S797 | D765-A767 PolarHBondContact O-N 3.27Å; D765-A767 PolarHBondContact OD2-N 2.94Å; A767-S797 PolarHBondContact O-OG 2.76Å |
| 768 | G | 59.1 | Low | 68.2 | Low | 46 Ų | 46 | 84.8 Ų | 84.8 | 47% | 0.474 | 43% | 0.43 | S | S | . | . | trans | 69.1 | 34.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D765 | D765-G768 PolarHBondContact O-N 2.92Š| ||
| 769 | R | 71.6 | Confident | 68.1 | Low | 85 Ų | 85 | 83.6 Ų | 83.6 | 32% | 0.321 | 42% | 0.418 | S | S | . | . | trans | -76.8 | 147.5 | 175.6 | -54.3 | 174.5 | -171 | 102.9 | -10.2 | 111.1 | D765 V795 I802 Y806 V810 | D765-R769 IonicContact OD1-NH1 2.88Å; D765-R769 PolarHBondContact OD1-NH1 3.4Å; D765-R769 IonicContact OD2-CZ 3.27Å; D765-R769 IonicContact OD2-NH1 2.71Å; D765-R769 PolarHBondContact OD2-NH1 2.88Å; R769-V795 WeakPolarHBondContact CA-O 3.46Å; R769-I802 HydrophobicContact CG-CD1 4.32Å; R769-Y806 WeakPolarHBondContact CD-O 3.17Å; R769-V810 HydrophobicContact CB-CG2 4.33Å | ||
| 770 | R | 67 | Low | 68.2 | Low | 135 Ų | 135 | 84.2 Ų | 84.2 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 164.7 | -178.9 | 68.4 | 179.4 | -177.2 | 158.4 | 1.5 | 113.8 | V795 N799 | R770-V795 HydrophobicContact CG-CG2 3.58Å; R770-V795 PolarHBondContact N-O 2.97Å; R770-V795 PolarHBondContact O-N 3.48Å; R770-N799 PolarHBondContact NH2-OD1 3.19Å |
| 771 | W | 74.7 | Confident | 67.9 | Low | 37 Ų | 37 | 81 Ų | 81 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 144.9 | 170.5 | -65.4 | 98.7 | 0 | 0 | 0 | 112.2 | Y773 A792 S793 C794 V804 C807 V810 N812 | W771-Y773 HydrophobicContact CB-CE2 4.36Å; W771-A792 HydrophobicContact CE3-CB 3.97Å; W771-A792 HydrophobicContact CZ3-CB 4.4Å; W771-S793 CarbonylContact C-O 3.5Å; W771-S793 WeakPolarHBondContact CA-O 3.34Å; W771-C794 HydrophobicContact CE3-CB 4.21Å; W771-C794 HydrophobicContact CH2-CB 4.26Å; W771-C794 HydrophobicContact CZ3-CB 4Å; W771-V804 HydrophobicContact CH2-CB 4.46Å; W771-V804 HydrophobicContact CH2-CG1 4.02Å; W771-V804 HydrophobicContact CH2-CG2 4.04Å; W771-V804 HydrophobicContact CZ3-CG2 4.16Å; W771-C807 HydrophobicContact CD2-CB 4.35Å; W771-C807 HydrophobicContact CH2-CB 4.2Å; W771-C807 HydrophobicContact CZ2-CB 3.49Å; W771-C807 VanDerWaalsContact CZ2-CB 3.49Å; W771-V810 PolarHBondContact NE1-O 3.5Å; W771-N812 HydrophobicContact CD2-CB 4.18Å; W771-N812 HydrophobicContact CG-CB 4.3Å; W771-N812 HydrophobicContact CZ2-CB 4.3Å |
| 772 | V | 67.7 | Low | 67.7 | Low | 62 Ų | 62 | 78.6 Ų | 78.6 | 38% | 0.376 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.6 | 171.2 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | A792 S793 V795 | V772-A792 CarbonylContact O-C 3.46Å; V772-A792 WeakPolarHBondContact O-CA 3.21Å; V772-S793 PolarHBondContact N-O 2.87Å; V772-S793 PolarHBondContact O-N 2.97Å; V772-V795 HydrophobicContact CB-CG1 4.31Å; V772-V795 HydrophobicContact CG2-CB 4.46Å; V772-V795 HydrophobicContact CG2-CG1 3.87Å; V772-V795 HydrophobicContact CG2-CG2 3.67Å |
| 773 | Y | 69.6 | Low | 67.9 | Low | 73 Ų | 73 | 79.7 Ų | 79.7 | 29% | 0.286 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.4 | -172.3 | -53.8 | -90.4 | 0 | 0 | 0 | 111.3 | W771 Q791 A792 N812 D813 I814 | W771-Y773 HydrophobicContact CB-CE2 4.36Å; Y773-Q791 WeakPolarHBondContact CA-O 3.38Å; Y773-A792 HydrophobicContact CD1-CB 3.89Å; Y773-A792 HydrophobicContact CE1-CB 4.07Å; Y773-N812 VanDerWaalsContact CE1-OD1 3.31Å; Y773-N812 WeakPolarHBondContact CE1-OD1 3.27Å; Y773-D813 PolarHBondContact OH-N 3.16Å; Y773-I814 WeakPolarHBondContact CD1-O 3.47Å; Y773-I814 VanDerWaalsContact CE1-O 3.23Å; Y773-I814 WeakPolarHBondContact CE1-O 3.18Å |
| 774 | G | 69.8 | Low | 67.7 | Low | 27 Ų | 27 | 77.8 Ų | 77.8 | 28% | 0.278 | 44% | 0.438 | S | S | . | . | trans | -86.6 | -173.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R790 Q791 | G774-R790 WeakPolarHBondContact O-CD 3.18Å; G774-Q791 PolarHBondContact N-O 2.88Å | ||
| 775 | D | 73.6 | Confident | 67.9 | Low | 148 Ų | 148 | 75.5 Ų | 75.5 | 79% | 0.791 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 158 | 175.4 | -62.5 | -62.1 | 0 | 0 | 0 | 112.8 | R790 | D775-R790 VanDerWaalsContact O-CB 3.24Å; D775-R790 WeakPolarHBondContact O-CB 3.48Å |
| 776 | W | 68.8 | Low | 68.4 | Low | 82 Ų | 82 | 74 Ų | 74 | 31% | 0.311 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 135.5 | 176.1 | -70.3 | 109.7 | 0 | 0 | 0 | 111.9 | Q788 R790 I814 A815 Q817 | W776-Q788 HydrophobicContact CD2-CG 4.18Å; W776-Q788 HydrophobicContact CE3-CB 4.21Å; W776-Q788 HydrophobicContact CE3-CG 3.77Å; W776-Q788 HydrophobicContact CZ3-CG 4.22Å; W776-Q788 WeakPolarHBondContact CZ3-O 3.3Å; W776-R790 HydrophobicContact CD2-CB 4.11Å; W776-R790 HydrophobicContact CD2-CG 4.11Å; W776-R790 HydrophobicContact CE3-CB 3.74Å; W776-R790 HydrophobicContact CE3-CG 3.76Å; W776-R790 HydrophobicContact CH2-CG 3.98Å; W776-R790 HydrophobicContact CZ2-CG 4.31Å; W776-R790 HydrophobicContact CZ3-CB 4.12Å; W776-R790 HydrophobicContact CZ3-CG 3.68Å; W776-I814 HydrophobicContact CH2-CG2 3.75Å; W776-I814 HydrophobicContact CZ2-CG2 3.85Å; W776-A815 WeakPolarHBondContact CZ3-O 3.39Å; W776-Q817 HydrophobicContact CH2-CB 3.57Å; W776-Q817 HydrophobicContact CZ2-CB 3.96Å; W776-Q817 HydrophobicContact CZ3-CB 3.96Å |
| 777 | E | 71.4 | Confident | 68.7 | Low | 118 Ų | 118 | 73.5 Ų | 73.5 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 168.3 | 169.9 | -64.3 | 179.2 | -164.5 | 0 | 0 | 111.6 | Q788 Q789 | E777-Q788 WeakPolarHBondContact O-CB 3.35Å; E777-Q789 WeakPolarHBondContact CB-O 3.49Å; E777-Q789 PolarHBondContact N-O 2.92Å |
| 778 | Q | 73.3 | Confident | 69 | Low | 190 Ų | 190 | 73.5 Ų | 73.5 | 89% | 0.888 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 146.2 | 176.1 | -63.4 | -172.9 | 12.6 | 0 | 0 | 111 | S780 | Q778-S780 PolarHBondContact O-N 3.47Š|
| 779 | C | 71.3 | Confident | 69.7 | Low | 32 Ų | 32 | 75.9 Ų | 75.9 | 22% | 0.216 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 129.6 | 178.6 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | V781 C819 N820 | C779-V781 PolarHBondContact O-N 3.38Å; C779-V781 VanDerWaalsContact O-N 3.08Å; C779-V781 PolarHBondContact SG-O 2.87Å; C779-V781 VanDerWaalsContact SG-O 3.36Å; C779-C819 VanDerWaalsContact CA-SG 3.55Å; C779-C819 HydrophobicContact CB-CB 3.85Å; C779-C819 WeakPolarHBondContact CB-SG 3.49Å; C779-C819 WeakPolarHBondContact SG-CB 3.38Å; C779-C819 CovalentContact SG-SG 2.02Å; C779-C819 PolarHBondContact SG-SG 2.91Å; C779-N820 PolarHBondContact SG-ND2 3Å; C779-N820 VanDerWaalsContact SG-ND2 3.41Å |
| 780 | S | 73.4 | Confident | 69.3 | Low | 82 Ų | 82 | 74.3 Ų | 74.3 | 57% | 0.573 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -61.5 | -21.1 | -170.9 | 64.8 | 0 | 0 | 0 | 0 | 116.1 | Q778 I787 | Q778-S780 PolarHBondContact O-N 3.47Å; S780-I787 VanDerWaalsContact CB-O 3.29Å; S780-I787 WeakPolarHBondContact CB-O 3.05Å; S780-I787 PolarHBondContact N-O 3.15Å; S780-I787 PolarHBondContact OG-N 2.91Å; S780-I787 PolarHBondContact OG-O 2.68Å |
| 781 | V | 62.1 | Low | 69.5 | Low | 67 Ų | 67 | 74.3 Ų | 74.3 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | trans | -142.1 | 150.6 | 172.1 | -71.4 | 0 | 0 | 0 | 0 | 111.3 | C779 C783 N820 | C779-V781 PolarHBondContact O-N 3.38Å; C779-V781 VanDerWaalsContact O-N 3.08Å; C779-V781 PolarHBondContact SG-O 2.87Å; C779-V781 VanDerWaalsContact SG-O 3.36Å; V781-C783 WeakPolarHBondContact CG2-O 3.02Å; V781-N820 WeakPolarHBondContact O-CB 3.38Å; V781-N820 PolarHBondContact O-ND2 2.05Å | ||
| 782 | S | 71.6 | Confident | 69.3 | Low | 109 Ų | 109 | 73.9 Ų | 73.9 | 76% | 0.762 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -78.2 | -17.1 | -179.2 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 783 | C | 71.3 | Confident | 69.7 | Low | 36 Ų | 36 | 72.6 Ų | 72.6 | 24% | 0.243 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -154 | 169.5 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | V781 N820 V822 C824 | V781-C783 WeakPolarHBondContact CG2-O 3.02Å; C783-N820 CarbonylContact C-O 3.55Å; C783-V822 WeakPolarHBondContact CB-O 3.31Å; C783-C824 HydrophobicContact CB-CB 4.14Å; C783-C824 WeakPolarHBondContact CB-SG 3.42Å; C783-C824 WeakPolarHBondContact SG-CB 3.3Å; C783-C824 CovalentContact SG-SG 2.04Å; C783-C824 PolarHBondContact SG-SG 3.31Å |
| 784 | G | 57.4 | Low | 70.1 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 87.6 | -5.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N820 V822 | G784-N820 PolarHBondContact N-O 2.79Å; G784-V822 PolarHBondContact N-O 2.98Å |
| 785 | G | 64.3 | Low | 70.3 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 37% | 0.371 | 39% | 0.385 | S | S | . | . | trans | 91 | 94.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C819 N820 N821 | G785-C819 CarbonylContact C-O 3.59Å; G785-C819 WeakPolarHBondContact CA-O 3.48Å; G785-N820 PolarHBondContact N-O 3.01Å; G785-N821 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 786 | G | 69.3 | Low | 70.2 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -179 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | P818 C819 | G786-P818 CarbonylContact O-C 3.55Å; G786-P818 VanDerWaalsContact O-CA 3.3Å; G786-P818 WeakPolarHBondContact O-CA 3.47Å; G786-C819 VanDerWaalsContact C-SG 3.5Å; G786-C819 PolarHBondContact N-O 3.15Å; G786-C819 PolarHBondContact O-N 2.71Å; G786-C819 PolarHBondContact O-SG 3.12Å |
| 787 | I | 69.8 | Low | 70 | Confident | 79 Ų | 79 | 62.7 Ų | 62.7 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133 | 176.9 | -54.9 | 175.7 | 0 | 0 | 0 | 107.5 | S780 Q789 E816 Q817 C819 | S780-I787 VanDerWaalsContact CB-O 3.29Å; S780-I787 WeakPolarHBondContact CB-O 3.05Å; S780-I787 PolarHBondContact N-O 3.15Å; S780-I787 PolarHBondContact OG-N 2.91Å; S780-I787 PolarHBondContact OG-O 2.68Å; I787-Q789 HydrophobicContact CG2-CG 4.23Å; I787-E816 HydrophobicContact CG2-CB 3.92Å; I787-Q817 WeakPolarHBondContact CA-O 3.2Å; I787-C819 VanDerWaalsContact C-SG 3.6Å |
| 788 | Q | 72.1 | Confident | 69.9 | Low | 42 Ų | 42 | 62.7 Ų | 62.7 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 135.3 | 160.8 | 58.1 | -172.9 | 28 | 0 | 0 | 107.9 | W776 E777 E816 Q817 C819 | W776-Q788 HydrophobicContact CD2-CG 4.18Å; W776-Q788 HydrophobicContact CE3-CB 4.21Å; W776-Q788 HydrophobicContact CE3-CG 3.77Å; W776-Q788 HydrophobicContact CZ3-CG 4.22Å; W776-Q788 WeakPolarHBondContact CZ3-O 3.3Å; E777-Q788 WeakPolarHBondContact O-CB 3.35Å; Q788-E816 WeakPolarHBondContact O-CA 3.38Å; Q788-Q817 HydrophobicContact CG-CB 3.92Å; Q788-Q817 WeakPolarHBondContact CG-O 3.31Å; Q788-Q817 PolarHBondContact N-O 2.85Å; Q788-Q817 PolarHBondContact O-N 3.36Å; Q788-C819 PolarHBondContact N-SG 2.03Å |
| 789 | Q | 73.5 | Confident | 69.2 | Low | 96 Ų | 96 | 58.1 Ų | 58.1 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 161 | 177.7 | -68.9 | -172.9 | -40.4 | 0 | 0 | 110.4 | E777 I787 A815 E816 | E777-Q789 WeakPolarHBondContact CB-O 3.49Å; E777-Q789 PolarHBondContact N-O 2.92Å; I787-Q789 HydrophobicContact CG2-CG 4.23Å; Q789-A815 CarbonylContact C-O 3.59Å; Q789-A815 WeakPolarHBondContact CA-O 3.39Å; Q789-E816 HydrophobicContact CG-CG 4.25Å; Q789-E816 PolarHBondContact NE2-OE1 2.81Å |
| 790 | R | 64.2 | Low | 69.2 | Low | 53 Ų | 53 | 60.9 Ų | 60.9 | 20% | 0.2 | 37% | 0.367 | C | S | . | . | trans | -146 | 145.7 | 169.1 | 65 | 179.9 | -179.3 | 170.8 | 4.4 | 112.2 | G774 D775 W776 I814 A815 | G774-R790 WeakPolarHBondContact O-CD 3.18Å; D775-R790 VanDerWaalsContact O-CB 3.24Å; D775-R790 WeakPolarHBondContact O-CB 3.48Å; W776-R790 HydrophobicContact CD2-CB 4.11Å; W776-R790 HydrophobicContact CD2-CG 4.11Å; W776-R790 HydrophobicContact CE3-CB 3.74Å; W776-R790 HydrophobicContact CE3-CG 3.76Å; W776-R790 HydrophobicContact CH2-CG 3.98Å; W776-R790 HydrophobicContact CZ2-CG 4.31Å; W776-R790 HydrophobicContact CZ3-CB 4.12Å; W776-R790 HydrophobicContact CZ3-CG 3.68Å; R790-I814 VanDerWaalsContact CZ-O 3.31Å; R790-I814 PolarHBondContact NE-O 2.74Å; R790-I814 PolarHBondContact NH2-O 3.18Å; R790-A815 PolarHBondContact N-O 2.88Å | ||
| 791 | Q | 71 | Confident | 68.7 | Low | 135 Ų | 135 | 63 Ų | 63 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | trans | -63.9 | 139.8 | 174.6 | 60 | -169.6 | -56.2 | 0 | 0 | 112.4 | Y773 G774 | Y773-Q791 WeakPolarHBondContact CA-O 3.38Å; G774-Q791 PolarHBondContact N-O 2.88Å | ||
| 792 | A | 69.6 | Low | 69.3 | Low | 27 Ų | 27 | 61.8 Ų | 61.8 | 22% | 0.223 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | W771 V772 Y773 | W771-A792 HydrophobicContact CE3-CB 3.97Å; W771-A792 HydrophobicContact CZ3-CB 4.4Å; V772-A792 CarbonylContact O-C 3.46Å; V772-A792 WeakPolarHBondContact O-CA 3.21Å; Y773-A792 HydrophobicContact CD1-CB 3.89Å; Y773-A792 HydrophobicContact CE1-CB 4.07Å |
| 793 | S | 75.7 | Confident | 69.3 | Low | 36 Ų | 36 | 59.9 Ų | 59.9 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.5 | -178.2 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | W771 V772 | W771-S793 CarbonylContact C-O 3.5Å; W771-S793 WeakPolarHBondContact CA-O 3.34Å; V772-S793 PolarHBondContact N-O 2.87Å; V772-S793 PolarHBondContact O-N 2.97Å |
| 794 | C | 77.6 | Confident | 68.9 | Low | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128.9 | 171.7 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | W771 I801 I802 C807 | W771-C794 HydrophobicContact CE3-CB 4.21Å; W771-C794 HydrophobicContact CH2-CB 4.26Å; W771-C794 HydrophobicContact CZ3-CB 4Å; C794-I801 WeakPolarHBondContact O-CA 3.46Å; C794-I802 HydrophobicContact CB-CG1 4.43Å; C794-I802 PolarHBondContact O-N 2.88Å; C794-I802 VanDerWaalsContact SG-CG1 3.54Å; C794-C807 VanDerWaalsContact CA-SG 3.55Å; C794-C807 HydrophobicContact CB-CB 3.62Å; C794-C807 WeakPolarHBondContact CB-SG 3.17Å; C794-C807 WeakPolarHBondContact SG-CB 3.38Å; C794-C807 PolarHBondContact SG-N 2.94Å; C794-C807 VanDerWaalsContact SG-N 3.44Å; C794-C807 CovalentContact SG-SG 2.02Å; C794-C807 PolarHBondContact SG-SG 3.29Å |
| 795 | V | 74.2 | Confident | 69.3 | Low | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.9 | 176.6 | -51.5 | 0 | 0 | 0 | 0 | 113.3 | R769 R770 V772 N800 I801 | R769-V795 WeakPolarHBondContact CA-O 3.46Å; R770-V795 HydrophobicContact CG-CG2 3.58Å; R770-V795 PolarHBondContact N-O 2.97Å; R770-V795 PolarHBondContact O-N 3.48Å; V772-V795 HydrophobicContact CB-CG1 4.31Å; V772-V795 HydrophobicContact CG2-CB 4.46Å; V772-V795 HydrophobicContact CG2-CG1 3.87Å; V772-V795 HydrophobicContact CG2-CG2 3.67Å; V795-N800 WeakPolarHBondContact CA-O 3.09Å; V795-N800 WeakPolarHBondContact CB-O 3.2Å; V795-I801 HydrophobicContact CG1-CG1 4.17Å |
| 796 | D | 71.7 | Confident | 69.5 | Low | 30 Ų | 30 | 72.5 Ų | 72.5 | 16% | 0.16 | 37% | 0.367 | C | S | . | . | trans | -77.8 | -178.6 | 172.5 | 80.4 | -9.3 | 0 | 0 | 0 | 112.5 | N798 N799 N800 I802 | D796-N798 PolarHBondContact O-N 2.88Å; D796-N798 VanDerWaalsContact O-N 3.09Å; D796-N798 VanDerWaalsContact OD1-C 3.29Å; D796-N798 VanDerWaalsContact OD1-CA 3.26Å; D796-N798 WeakPolarHBondContact OD1-CA 3.3Å; D796-N798 WeakPolarHBondContact OD1-CB 3.47Å; D796-N798 PolarHBondContact OD1-N 2.93Å; D796-N798 PolarHBondContact OD2-ND2 3.44Å; D796-N799 PolarHBondContact O-N 3.31Å; D796-N799 PolarHBondContact OD1-N 3.42Å; D796-N800 PolarHBondContact N-O 3.05Å; D796-N800 WeakPolarHBondContact OD1-CB 3.23Å; D796-N800 PolarHBondContact OD1-N 2.98Å; D796-N800 PolarHBondContact OD1-ND2 2.71Å; D796-N800 PolarHBondContact OD2-ND2 3.47Å; D796-I802 HydrophobicContact CB-CD1 4.03Å; D796-I802 HydrophobicContact CB-CG1 4.46Å; D796-I802 HydrophobicContact CB-CG2 4.18Å | ||
| 797 | S | 65.2 | Low | 69.4 | Low | 85 Ų | 85 | 72.3 Ų | 72.3 | 59% | 0.594 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.2 | 177.3 | -14.5 | 0 | 0 | 0 | 0 | 113.8 | A767 | A767-S797 PolarHBondContact O-OG 2.76Š|
| 798 | N | 69.3 | Low | 69 | Low | 118 Ų | 118 | 76 Ų | 76 | 63% | 0.631 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 5.1 | 178.9 | -48.9 | -68.7 | 0 | 0 | 0 | 112.6 | D796 N800 | D796-N798 PolarHBondContact O-N 2.88Å; D796-N798 VanDerWaalsContact O-N 3.09Å; D796-N798 VanDerWaalsContact OD1-C 3.29Å; D796-N798 VanDerWaalsContact OD1-CA 3.26Å; D796-N798 WeakPolarHBondContact OD1-CA 3.3Å; D796-N798 WeakPolarHBondContact OD1-CB 3.47Å; D796-N798 PolarHBondContact OD1-N 2.93Å; D796-N798 PolarHBondContact OD2-ND2 3.44Å; N798-N800 VanDerWaalsContact C-N 3.3Å; N798-N800 PolarHBondContact O-N 3.25Å |
| 799 | N | 58.3 | Low | 68.1 | Low | 94 Ų | 94 | 79.3 Ų | 79.3 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | trans | 64.8 | 17.2 | -169.8 | -56 | -60.6 | 0 | 0 | 0 | 115.9 | R770 D796 I801 | R770-N799 PolarHBondContact NH2-OD1 3.19Å; D796-N799 PolarHBondContact O-N 3.31Å; D796-N799 PolarHBondContact OD1-N 3.42Å; N799-I801 PolarHBondContact O-N 3.48Å | ||
| 800 | N | 70.6 | Confident | 67.4 | Low | 90 Ų | 90 | 76.1 Ų | 76.1 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | trans | -68.9 | 131.3 | 169.3 | -60.2 | -57.2 | 0 | 0 | 0 | 109.5 | V795 D796 N798 I802 | V795-N800 WeakPolarHBondContact CA-O 3.09Å; V795-N800 WeakPolarHBondContact CB-O 3.2Å; D796-N800 PolarHBondContact N-O 3.05Å; D796-N800 WeakPolarHBondContact OD1-CB 3.23Å; D796-N800 PolarHBondContact OD1-N 2.98Å; D796-N800 PolarHBondContact OD1-ND2 2.71Å; D796-N800 PolarHBondContact OD2-ND2 3.47Å; N798-N800 VanDerWaalsContact C-N 3.3Å; N798-N800 PolarHBondContact O-N 3.25Å; N800-I802 PolarHBondContact O-N 3.31Å | ||
| 801 | I | 64 | Low | 66.8 | Low | 126 Ų | 126 | 79.6 Ų | 79.6 | 65% | 0.646 | 41% | 0.409 | S | S | * | . | B | Isolated β-bridge | trans | -66.6 | 118.9 | 170.3 | -58.3 | 174.6 | 0 | 0 | 0 | 108.3 | C794 V795 N799 | C794-I801 WeakPolarHBondContact O-CA 3.46Å; V795-I801 HydrophobicContact CG1-CG1 4.17Å; N799-I801 PolarHBondContact O-N 3.48Å |
| 802 | I | 75.4 | Confident | 66 | Low | 43 Ų | 43 | 76.3 Ų | 76.3 | 22% | 0.221 | 40% | 0.395 | C | S | . | . | trans | -114.4 | 158.4 | -179.7 | 47.6 | 165.2 | 0 | 0 | 0 | 110 | R769 C794 D796 N800 V804 | R769-I802 HydrophobicContact CG-CD1 4.32Å; C794-I802 HydrophobicContact CB-CG1 4.43Å; C794-I802 PolarHBondContact O-N 2.88Å; C794-I802 VanDerWaalsContact SG-CG1 3.54Å; D796-I802 HydrophobicContact CB-CD1 4.03Å; D796-I802 HydrophobicContact CB-CG1 4.46Å; D796-I802 HydrophobicContact CB-CG2 4.18Å; N800-I802 PolarHBondContact O-N 3.31Å; I802-V804 PolarHBondContact O-N 2.55Å | ||
| 803 | D | 71.6 | Confident | 65.3 | Low | 68 Ų | 68 | 81 Ų | 81 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | trans | -52.3 | 131 | 179.8 | -174.2 | -56.9 | 0 | 0 | 0 | 111 | R805 Y806 | D803-R805 PolarHBondContact O-N 3.15Å; D803-R805 WeakPolarHBondContact OD1-CB 3.29Å; D803-R805 WeakPolarHBondContact OD1-CG 3.41Å; D803-R805 IonicContact OD1-CZ 2.64Å; D803-R805 PolarHBondContact OD1-N 2.03Å; D803-R805 IonicContact OD1-NE 2.71Å; D803-R805 PolarHBondContact OD1-NE 2.7Å; D803-R805 IonicContact OD1-NH2 2.68Å; D803-R805 IonicContact OD2-CZ 2.7Å; D803-R805 IonicContact OD2-NE 2.87Å; D803-R805 PolarHBondContact OD2-NE 3.43Å; D803-R805 IonicContact OD2-NH2 2.97Å; D803-R805 PolarHBondContact OD2-NH2 2.94Å; D803-Y806 HydrophobicContact CB-CD2 3.75Å; D803-Y806 HydrophobicContact CB-CE2 3.78Å; D803-Y806 WeakPolarHBondContact O-CB 3.17Å; D803-Y806 WeakPolarHBondContact O-CD2 3.42Å; D803-Y806 PolarHBondContact O-N 2.93Å | ||
| 804 | V | 61.2 | Low | 64.5 | Low | 86 Ų | 86 | 83.5 Ų | 83.5 | 52% | 0.521 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -50.5 | -31.7 | -175.3 | 155 | 0 | 0 | 0 | 0 | 113.1 | W771 I802 Y806 C807 E808 | W771-V804 HydrophobicContact CH2-CB 4.46Å; W771-V804 HydrophobicContact CH2-CG1 4.02Å; W771-V804 HydrophobicContact CH2-CG2 4.04Å; W771-V804 HydrophobicContact CZ3-CG2 4.16Å; I802-V804 PolarHBondContact O-N 2.55Å; V804-Y806 PolarHBondContact O-N 3.3Å; V804-Y806 VanDerWaalsContact O-N 3.13Å; V804-C807 PolarHBondContact O-N 3.3Å; V804-E808 PolarHBondContact O-N 3.42Å |
| 805 | R | 66.8 | Low | 63.8 | Low | 165 Ų | 165 | 84.9 Ų | 84.9 | 62% | 0.623 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -59.7 | -22.7 | 176.9 | -64.9 | 174 | -71 | 168.3 | -3.1 | 113.3 | D803 E808 | D803-R805 PolarHBondContact O-N 3.15Å; D803-R805 WeakPolarHBondContact OD1-CB 3.29Å; D803-R805 WeakPolarHBondContact OD1-CG 3.41Å; D803-R805 IonicContact OD1-CZ 2.64Å; D803-R805 PolarHBondContact OD1-N 2.03Å; D803-R805 IonicContact OD1-NE 2.71Å; D803-R805 PolarHBondContact OD1-NE 2.7Å; D803-R805 IonicContact OD1-NH2 2.68Å; D803-R805 IonicContact OD2-CZ 2.7Å; D803-R805 IonicContact OD2-NE 2.87Å; D803-R805 PolarHBondContact OD2-NE 3.43Å; D803-R805 IonicContact OD2-NH2 2.97Å; D803-R805 PolarHBondContact OD2-NH2 2.94Å; R805-E808 WeakPolarHBondContact O-CB 3.44Å |
| 806 | Y | 68.4 | Low | 63.1 | Low | 140 Ų | 140 | 89.9 Ų | 89.9 | 55% | 0.549 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -82.1 | -12.2 | 175.7 | -60 | -59.2 | 0 | 0 | 0 | 114.1 | R769 D803 V804 | R769-Y806 WeakPolarHBondContact CD-O 3.17Å; D803-Y806 HydrophobicContact CB-CD2 3.75Å; D803-Y806 HydrophobicContact CB-CE2 3.78Å; D803-Y806 WeakPolarHBondContact O-CB 3.17Å; D803-Y806 WeakPolarHBondContact O-CD2 3.42Å; D803-Y806 PolarHBondContact O-N 2.93Å; V804-Y806 PolarHBondContact O-N 3.3Å; V804-Y806 VanDerWaalsContact O-N 3.13Å |
| 807 | C | 66.5 | Low | 62.8 | Low | 0 Ų | 0 | 92.5 Ų | 92.5 | 0% | 0 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -104.6 | 12.5 | 168 | -70.3 | 0 | 0 | 0 | 0 | 113.1 | W771 C794 V804 N809 V810 | W771-C807 HydrophobicContact CD2-CB 4.35Å; W771-C807 HydrophobicContact CH2-CB 4.2Å; W771-C807 HydrophobicContact CZ2-CB 3.49Å; W771-C807 VanDerWaalsContact CZ2-CB 3.49Å; C794-C807 VanDerWaalsContact CA-SG 3.55Å; C794-C807 HydrophobicContact CB-CB 3.62Å; C794-C807 WeakPolarHBondContact CB-SG 3.17Å; C794-C807 WeakPolarHBondContact SG-CB 3.38Å; C794-C807 PolarHBondContact SG-N 2.94Å; C794-C807 VanDerWaalsContact SG-N 3.44Å; C794-C807 CovalentContact SG-SG 2.02Å; C794-C807 PolarHBondContact SG-SG 3.29Å; V804-C807 PolarHBondContact O-N 3.3Å; C807-N809 PolarHBondContact O-N 2.93Å; C807-N809 VanDerWaalsContact O-N 3.1Å; C807-V810 HydrophobicContact CB-CB 4.17Å; C807-V810 HydrophobicContact CB-CG2 4.44Å; C807-V810 PolarHBondContact O-N 3.09Å; C807-V810 VanDerWaalsContact O-O 3.09Å |
| 808 | E | 61.5 | Low | 63 | Low | 156 Ų | 156 | 92.9 Ų | 92.9 | 73% | 0.729 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.7 | -176.1 | -167.3 | 165.9 | -124.7 | 0 | 0 | 113.3 | V804 R805 | V804-E808 PolarHBondContact O-N 3.42Å; R805-E808 WeakPolarHBondContact O-CB 3.44Å |
| 809 | N | 54.3 | Low | 63 | Low | 111 Ų | 111 | 88 Ų | 88 | 59% | 0.594 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 0.6 | 174.4 | -62.3 | -27.7 | 0 | 0 | 0 | 114.3 | Y763 C807 | Y763-N809 HydrophobicContact CD1-CB 4.23Å; Y763-N809 WeakPolarHBondContact CD1-O 2.97Å; Y763-N809 HydrophobicContact CE1-CB 3.75Å; C807-N809 PolarHBondContact O-N 2.93Å; C807-N809 VanDerWaalsContact O-N 3.1Å |
| 810 | V | 58.7 | Low | 63.4 | Low | 30 Ų | 30 | 87.2 Ų | 87.2 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -103.6 | 123.9 | -179.8 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | D765 R769 W771 C807 N812 | D765-V810 HydrophobicContact CB-CG2 4.49Å; R769-V810 HydrophobicContact CB-CG2 4.33Å; W771-V810 PolarHBondContact NE1-O 3.5Å; C807-V810 HydrophobicContact CB-CB 4.17Å; C807-V810 HydrophobicContact CB-CG2 4.44Å; C807-V810 PolarHBondContact O-N 3.09Å; C807-V810 VanDerWaalsContact O-O 3.09Å; V810-N812 PolarHBondContact O-N 3.4Å |
| 811 | I | 50.7 | Low | 62.9 | Low | 125 Ų | 125 | 88.5 Ų | 88.5 | 64% | 0.641 | 45% | 0.451 | S | S | * | . | trans | -68.2 | 125.9 | -171.8 | -54.8 | 177.9 | 0 | 0 | 0 | 110.7 | D813 | I811-D813 VanDerWaalsContact CG2-OD1 3.28Å; I811-D813 WeakPolarHBondContact CG2-OD1 3.19Å; I811-D813 PolarHBondContact O-N 3.03Å | ||
| 812 | N | 54.1 | Low | 62.6 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | trans | -89.9 | 87.4 | 171 | -178.6 | 1.5 | 0 | 0 | 0 | 108.2 | W771 Y773 V810 | W771-N812 HydrophobicContact CD2-CB 4.18Å; W771-N812 HydrophobicContact CG-CB 4.3Å; W771-N812 HydrophobicContact CZ2-CB 4.3Å; Y773-N812 VanDerWaalsContact CE1-OD1 3.31Å; Y773-N812 WeakPolarHBondContact CE1-OD1 3.27Å; V810-N812 PolarHBondContact O-N 3.4Å | ||
| 813 | D | 56.4 | Low | 61.8 | Low | 127 Ų | 127 | 90 Ų | 90 | 68% | 0.679 | 47% | 0.469 | S | S | * | . | trans | -68.4 | -36.3 | -164.2 | -82.7 | -41.6 | 0 | 0 | 0 | 114.7 | Y773 I811 | Y773-D813 PolarHBondContact OH-N 3.16Å; I811-D813 VanDerWaalsContact CG2-OD1 3.28Å; I811-D813 WeakPolarHBondContact CG2-OD1 3.19Å; I811-D813 PolarHBondContact O-N 3.03Å | ||
| 814 | I | 57.8 | Low | 61.8 | Low | 88 Ų | 88 | 89.3 Ų | 89.3 | 45% | 0.451 | 47% | 0.469 | S | S | . | . | trans | -148.4 | 95.2 | -172.1 | -50.7 | 176.9 | 0 | 0 | 0 | 111.8 | Y773 W776 R790 | Y773-I814 WeakPolarHBondContact CD1-O 3.47Å; Y773-I814 VanDerWaalsContact CE1-O 3.23Å; Y773-I814 WeakPolarHBondContact CE1-O 3.18Å; W776-I814 HydrophobicContact CH2-CG2 3.75Å; W776-I814 HydrophobicContact CZ2-CG2 3.85Å; R790-I814 VanDerWaalsContact CZ-O 3.31Å; R790-I814 PolarHBondContact NE-O 2.74Å; R790-I814 PolarHBondContact NH2-O 3.18Å | ||
| 815 | A | 62.3 | Low | 62.4 | Low | 30 Ų | 30 | 87.5 Ų | 87.5 | 25% | 0.248 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -108.8 | -12.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W776 Q789 R790 | W776-A815 WeakPolarHBondContact CZ3-O 3.39Å; Q789-A815 CarbonylContact C-O 3.59Å; Q789-A815 WeakPolarHBondContact CA-O 3.39Å; R790-A815 PolarHBondContact N-O 2.88Å |
| 816 | E | 61.4 | Low | 62.5 | Low | 109 Ų | 109 | 82.3 Ų | 82.3 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146 | -177 | -52.3 | -163.4 | 136.1 | 0 | 0 | 110.6 | I787 Q788 Q789 | I787-E816 HydrophobicContact CG2-CB 3.92Å; Q788-E816 WeakPolarHBondContact O-CA 3.38Å; Q789-E816 HydrophobicContact CG-CG 4.25Å; Q789-E816 PolarHBondContact NE2-OE1 2.81Å |
| 817 | Q | 64 | Low | 63 | Low | 85 Ų | 85 | 77.2 Ų | 77.2 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 138.6 | 176.4 | -175.4 | 178.9 | 2.9 | 0 | 0 | 111.6 | W776 I787 Q788 | W776-Q817 HydrophobicContact CH2-CB 3.57Å; W776-Q817 HydrophobicContact CZ2-CB 3.96Å; W776-Q817 HydrophobicContact CZ3-CB 3.96Å; I787-Q817 WeakPolarHBondContact CA-O 3.2Å; Q788-Q817 HydrophobicContact CG-CB 3.92Å; Q788-Q817 WeakPolarHBondContact CG-O 3.31Å; Q788-Q817 PolarHBondContact N-O 2.85Å; Q788-Q817 PolarHBondContact O-N 3.36Å |
| 818 | P | 68.8 | Low | 62.9 | Low | 94 Ų | 94 | 79.6 Ų | 79.6 | 61% | 0.61 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 146.8 | 178.4 | 30.5 | -35.6 | 0 | 0 | 0 | 113.3 | G786 | G786-P818 CarbonylContact O-C 3.55Å; G786-P818 VanDerWaalsContact O-CA 3.3Å; G786-P818 WeakPolarHBondContact O-CA 3.47Å |
| 819 | C | 71 | Confident | 63.2 | Low | 16 Ų | 16 | 76.4 Ų | 76.4 | 11% | 0.108 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 163.4 | -174.8 | 49 | 0 | 0 | 0 | 0 | 111.8 | C779 G785 G786 I787 Q788 N821 | C779-C819 VanDerWaalsContact CA-SG 3.55Å; C779-C819 HydrophobicContact CB-CB 3.85Å; C779-C819 WeakPolarHBondContact CB-SG 3.49Å; C779-C819 WeakPolarHBondContact SG-CB 3.38Å; C779-C819 CovalentContact SG-SG 2.02Å; C779-C819 PolarHBondContact SG-SG 2.91Å; G785-C819 CarbonylContact C-O 3.59Å; G785-C819 WeakPolarHBondContact CA-O 3.48Å; G786-C819 VanDerWaalsContact C-SG 3.5Å; G786-C819 PolarHBondContact N-O 3.15Å; G786-C819 PolarHBondContact O-N 2.71Å; G786-C819 PolarHBondContact O-SG 3.12Å; I787-C819 VanDerWaalsContact C-SG 3.6Å; Q788-C819 PolarHBondContact N-SG 2.03Å; C819-N821 PolarHBondContact O-N 2.62Å; C819-N821 PolarHBondContact O-OD1 3.26Å |
| 820 | N | 65.7 | Low | 63.7 | Low | 77 Ų | 77 | 72.8 Ų | 72.8 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | trans | 53.7 | 44.2 | 174.7 | -63.6 | -17 | 0 | 0 | 0 | 116.7 | C779 V781 C783 G784 G785 V822 | C779-N820 PolarHBondContact SG-ND2 3Å; C779-N820 VanDerWaalsContact SG-ND2 3.41Å; V781-N820 WeakPolarHBondContact O-CB 3.38Å; V781-N820 PolarHBondContact O-ND2 2.05Å; C783-N820 CarbonylContact C-O 3.55Å; G784-N820 PolarHBondContact N-O 2.79Å; G785-N820 PolarHBondContact N-O 3.01Å; N820-V822 PolarHBondContact O-N 3.38Å | ||
| 821 | N | 59.7 | Low | 63.9 | Low | 117 Ų | 117 | 78.9 Ų | 78.9 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | trans | -71.2 | 21.7 | -177.1 | -64.3 | -21.5 | 0 | 0 | 0 | 116.3 | G785 C819 | G785-N821 WeakPolarHBondContact CA-OD1 3.5Å; C819-N821 PolarHBondContact O-N 2.62Å; C819-N821 PolarHBondContact O-OD1 3.26Å | ||
| 822 | V | 59 | Low | 64.4 | Low | 105 Ų | 105 | 77 Ų | 77 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -90 | 128.2 | 175.9 | -180 | 0 | 0 | 0 | 0 | 109.1 | C783 G784 N820 C824 | C783-V822 WeakPolarHBondContact CB-O 3.31Å; G784-V822 PolarHBondContact N-O 2.98Å; N820-V822 PolarHBondContact O-N 3.38Å; V822-C824 PolarHBondContact O-N 3.08Å |
| 823 | P | 58 | Low | 65 | Low | 94 Ų | 94 | 75.8 Ų | 75.8 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 135.2 | 179.8 | -25.3 | 34.8 | 0 | 0 | 0 | 113.3 | ||
| 824 | C | 71 | Confident | 65.4 | Low | 55 Ų | 55 | 77.6 Ų | 77.6 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 154.9 | 173.7 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | C783 V822 | C783-C824 HydrophobicContact CB-CB 4.14Å; C783-C824 WeakPolarHBondContact CB-SG 3.42Å; C783-C824 WeakPolarHBondContact SG-CB 3.3Å; C783-C824 CovalentContact SG-SG 2.04Å; C783-C824 PolarHBondContact SG-SG 3.31Å; V822-C824 PolarHBondContact O-N 3.08Å |
| 825 | P | 74 | Confident | 65.9 | Low | 48 Ų | 48 | 75 Ų | 75 | 31% | 0.312 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 151.9 | 162.5 | -22.4 | 35.3 | 0 | 0 | 0 | 111.7 | V858 F862 | P825-V858 HydrophobicContact CB-CG2 4.45Å; P825-F862 HydrophobicContact CG-CB 4.27Å |
| 826 | A | 69.4 | Low | 66.5 | Low | 56 Ų | 56 | 78 Ų | 78 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S828 T851 | A826-S828 PolarHBondContact O-N 2.94Å; A826-T851 PolarHBondContact N-O 2.78Å; A826-T851 VanDerWaalsContact N-O 3.14Å; A826-T851 PolarHBondContact O-N 2.68Å; A826-T851 PolarHBondContact O-OG1 3.33Å |
| 827 | W | 79.1 | Confident | 66.5 | Low | 33 Ų | 33 | 74.3 Ų | 74.3 | 13% | 0.125 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.6 | 170.5 | -63.4 | 112.4 | 0 | 0 | 0 | 111 | Y829 A848 C850 A860 C863 D864 S867 L868 | W827-Y829 HydrophobicContact CB-CE1 4.45Å; W827-Y829 HydrophobicContact CB-CE2 3.85Å; W827-Y829 WeakPolarHBondContact O-CE2 3.45Å; W827-A848 HydrophobicContact CE3-CB 4.42Å; W827-C850 HydrophobicContact CE3-CB 3.92Å; W827-C850 HydrophobicContact CH2-CB 4.25Å; W827-C850 HydrophobicContact CZ3-CB 3.75Å; W827-A860 HydrophobicContact CH2-CB 3.92Å; W827-A860 HydrophobicContact CZ3-CB 4.49Å; W827-C863 HydrophobicContact CD2-CB 3.77Å; W827-C863 HydrophobicContact CE3-CB 4.38Å; W827-C863 HydrophobicContact CG-CB 4.18Å; W827-C863 HydrophobicContact CH2-CB 4.19Å; W827-C863 HydrophobicContact CZ2-CB 3.55Å; W827-D864 PolarHBondContact NE1-O 2.03Å; W827-S867 PolarHBondContact NE1-OG 3.22Å; W827-L868 HydrophobicContact CD2-CD1 3.45Å; W827-L868 VanDerWaalsContact CD2-CD1 3.45Å; W827-L868 HydrophobicContact CE3-CD1 3.56Å; W827-L868 HydrophobicContact CG-CD1 4.05Å; W827-L868 HydrophobicContact CH2-CD1 3.89Å; W827-L868 HydrophobicContact CZ2-CD1 3.77Å; W827-L868 HydrophobicContact CZ2-CG 4.49Å; W827-L868 HydrophobicContact CZ3-CD1 3.78Å |
| 828 | S | 63.6 | Low | 66.6 | Low | 49 Ų | 49 | 74.8 Ų | 74.8 | 34% | 0.343 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 142.8 | 163.4 | 65.1 | 0 | 0 | 0 | 0 | 109.7 | A826 A848 V849 | A826-S828 PolarHBondContact O-N 2.94Å; S828-A848 CarbonylContact O-C 3.53Å; S828-A848 WeakPolarHBondContact O-CA 3.27Å; S828-V849 PolarHBondContact N-O 3.12Å; S828-V849 PolarHBondContact O-N 3.35Å; S828-V849 PolarHBondContact OG-O 3.03Å; S828-V849 VanDerWaalsContact OG-O 3.11Å |
| 829 | Y | 69.2 | Low | 66.8 | Low | 89 Ų | 89 | 71.9 Ų | 71.9 | 35% | 0.349 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.1 | -168.5 | -67.6 | -81.9 | 0 | 0 | 0 | 112.4 | W827 R846 A848 S867 | W827-Y829 HydrophobicContact CB-CE1 4.45Å; W827-Y829 HydrophobicContact CB-CE2 3.85Å; W827-Y829 WeakPolarHBondContact O-CE2 3.45Å; Y829-R846 VanDerWaalsContact CE1-NH2 3.27Å; Y829-A848 HydrophobicContact CD1-CB 3.64Å; Y829-A848 HydrophobicContact CE1-CB 3.8Å; Y829-S867 PolarHBondContact OH-O 3Å |
| 830 | G | 64.6 | Low | 66.3 | Low | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | trans | -82.5 | 174.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R846 L847 | G830-R846 WeakPolarHBondContact O-CD 3.22Å; G830-L847 PolarHBondContact N-O 2.75Å | ||
| 831 | D | 62.8 | Low | 66 | Low | 158 Ų | 158 | 73.9 Ų | 73.9 | 85% | 0.845 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 153.7 | 174.6 | -76.8 | -49.1 | 0 | 0 | 0 | 112.8 | R846 | D831-R846 WeakPolarHBondContact O-CB 3.2Š|
| 832 | W | 61.4 | Low | 66.6 | Low | 85 Ų | 85 | 68.6 Ų | 68.6 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -77 | 132.8 | 171.4 | -66.5 | 97.8 | 0 | 0 | 0 | 111.5 | Q844 R846 V870 Q872 | W832-Q844 HydrophobicContact CE3-CG 4.06Å; W832-R846 HydrophobicContact CD2-CB 4.05Å; W832-R846 HydrophobicContact CD2-CG 3.9Å; W832-R846 VanDerWaalsContact CE2-CD 3.48Å; W832-R846 HydrophobicContact CE3-CB 4.02Å; W832-R846 HydrophobicContact CE3-CG 3.87Å; W832-R846 HydrophobicContact CG-CB 4.32Å; W832-R846 HydrophobicContact CH2-CG 4.15Å; W832-R846 HydrophobicContact CZ2-CG 4.19Å; W832-R846 HydrophobicContact CZ3-CG 3.99Å; W832-V870 VanDerWaalsContact CZ3-O 3.26Å; W832-V870 WeakPolarHBondContact CZ3-O 3.04Å; W832-Q872 HydrophobicContact CH2-CB 3.92Å; W832-Q872 HydrophobicContact CZ3-CB 3.92Å |
| 833 | G | 65.8 | Low | 67.2 | Low | 40 Ų | 40 | 65.9 Ų | 65.9 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 173.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q844 V845 | G833-Q844 WeakPolarHBondContact O-CB 3.18Å; G833-V845 PolarHBondContact N-O 2.84Å |
| 834 | E | 64.4 | Low | 67.5 | Low | 166 Ų | 166 | 63.6 Ų | 63.6 | 78% | 0.776 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 157.8 | -179.3 | -60.8 | -154 | 144.3 | 0 | 0 | 113.5 | ||
| 835 | C | 69.3 | Low | 67.6 | Low | 34 Ų | 34 | 64.5 Ų | 64.5 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 131.4 | 179.4 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | A837 C874 N875 | C835-A837 PolarHBondContact O-N 2.97Å; C835-A837 VanDerWaalsContact O-N 3.11Å; C835-A837 PolarHBondContact SG-O 2.97Å; C835-A837 VanDerWaalsContact SG-O 3.34Å; C835-C874 HydrophobicContact CB-CB 3.99Å; C835-C874 WeakPolarHBondContact CB-SG 3.21Å; C835-C874 WeakPolarHBondContact SG-CB 3.1Å; C835-C874 CovalentContact SG-SG 2.02Å; C835-C874 PolarHBondContact SG-SG 2.8Å; C835-N875 PolarHBondContact SG-ND2 2.67Å |
| 836 | S | 73.6 | Confident | 66.6 | Low | 92 Ų | 92 | 64.6 Ų | 64.6 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -66.6 | -11.8 | -173.1 | 71.7 | 0 | 0 | 0 | 0 | 116.7 | G842 V843 | S836-G842 VanDerWaalsContact OG-CA 3.29Å; S836-G842 WeakPolarHBondContact OG-CA 3.45Å; S836-V843 WeakPolarHBondContact CB-O 3.26Å; S836-V843 PolarHBondContact N-O 2.9Å; S836-V843 PolarHBondContact OG-N 3.41Å |
| 837 | A | 61.3 | Low | 66.8 | Low | 32 Ų | 32 | 68.2 Ų | 68.2 | 26% | 0.264 | 40% | 0.398 | S | S | . | . | trans | -151.7 | 153.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | C835 G841 N875 | C835-A837 PolarHBondContact O-N 2.97Å; C835-A837 VanDerWaalsContact O-N 3.11Å; C835-A837 PolarHBondContact SG-O 2.97Å; C835-A837 VanDerWaalsContact SG-O 3.34Å; A837-G841 WeakPolarHBondContact CB-O 3.09Å; A837-N875 WeakPolarHBondContact O-CB 3.19Å; A837-N875 PolarHBondContact O-ND2 3.06Å | ||
| 838 | S | 65.8 | Low | 66.3 | Low | 94 Ų | 94 | 67.7 Ų | 67.7 | 66% | 0.657 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -97.7 | -22.9 | -177.9 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | H877 | S838-H877 PolarHBondContact O-CE1 3.02Š|
| 839 | C | 73.3 | Confident | 66.9 | Low | 34 Ų | 34 | 67.8 Ų | 67.8 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -149.9 | 173.2 | 168.6 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | G841 H877 C879 | C839-G841 PolarHBondContact O-N 3.02Å; C839-G841 VanDerWaalsContact O-N 3.17Å; C839-H877 CarbonylContact C-O 3.58Å; C839-H877 WeakPolarHBondContact CA-O 3.42Å; C839-H877 VanDerWaalsContact CB-O 3.25Å; C839-H877 WeakPolarHBondContact CB-O 3.42Å; C839-C879 HydrophobicContact CB-CB 4.21Å; C839-C879 WeakPolarHBondContact CB-SG 3.34Å; C839-C879 WeakPolarHBondContact SG-CB 3.46Å; C839-C879 CovalentContact SG-SG 2.04Å; C839-C879 PolarHBondContact SG-SG 3.38Å |
| 840 | D | 60.5 | Low | 67.5 | Low | 102 Ų | 102 | 63.8 Ų | 63.8 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 59.9 | 9.4 | -170.3 | -72.6 | -37 | 0 | 0 | 0 | 116.4 | H877 M878 C879 | D840-H877 PolarHBondContact N-O 2.99Å; D840-M878 VanDerWaalsContact OD1-CA 3.25Å; D840-M878 WeakPolarHBondContact OD1-CA 3.4Å; D840-M878 WeakPolarHBondContact OD1-CB 3.37Å; D840-C879 PolarHBondContact OD2-SG 3.02Å |
| 841 | G | 60 | Low | 67.7 | Low | 32 Ų | 32 | 63.7 Ų | 63.7 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | trans | 95.1 | 130.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | A837 C839 N875 | A837-G841 WeakPolarHBondContact CB-O 3.09Å; C839-G841 PolarHBondContact O-N 3.02Å; C839-G841 VanDerWaalsContact O-N 3.17Å; G841-N875 WeakPolarHBondContact CA-O 3.2Å; G841-N875 PolarHBondContact N-O 3.2Å | ||
| 842 | G | 72 | Confident | 68.2 | Low | 7 Ų | 7 | 57.7 Ų | 57.7 | 7% | 0.072 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | -178.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S836 K873 C874 | S836-G842 VanDerWaalsContact OG-CA 3.29Å; S836-G842 WeakPolarHBondContact OG-CA 3.45Å; G842-K873 WeakPolarHBondContact O-CA 3.34Å; G842-C874 PolarHBondContact N-O 2.9Å; G842-C874 PolarHBondContact O-N 3.12Å; G842-C874 PolarHBondContact O-SG 2.79Å |
| 843 | V | 72.8 | Confident | 68.3 | Low | 48 Ų | 48 | 61.1 Ų | 61.1 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 144.8 | -174.5 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | S836 V845 Q871 Q872 | S836-V843 WeakPolarHBondContact CB-O 3.26Å; S836-V843 PolarHBondContact N-O 2.9Å; S836-V843 PolarHBondContact OG-N 3.41Å; V843-V845 HydrophobicContact CG1-CG2 4.3Å; V843-Q871 HydrophobicContact CG1-CG 3.4Å; V843-Q872 CarbonylContact C-O 3.48Å; V843-Q872 WeakPolarHBondContact CA-O 3.37Å |
| 844 | Q | 64.6 | Low | 68.1 | Low | 46 Ų | 46 | 62.4 Ų | 62.4 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 153.5 | 169.5 | 61.5 | -175 | 19.4 | 0 | 0 | 111.3 | W832 G833 Q871 Q872 | W832-Q844 HydrophobicContact CE3-CG 4.06Å; G833-Q844 WeakPolarHBondContact O-CB 3.18Å; Q844-Q871 WeakPolarHBondContact O-CA 3.37Å; Q844-Q872 HydrophobicContact CG-CB 4.02Å; Q844-Q872 PolarHBondContact N-O 2.89Å; Q844-Q872 PolarHBondContact O-N 3.27Å |
| 845 | V | 71.1 | Confident | 67.8 | Low | 74 Ų | 74 | 57.3 Ų | 57.3 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.8 | -168.3 | -164.9 | 0 | 0 | 0 | 0 | 111 | G833 V843 V870 Q871 | G833-V845 PolarHBondContact N-O 2.84Å; V843-V845 HydrophobicContact CG1-CG2 4.3Å; V845-V870 CarbonylContact C-O 3.54Å; V845-V870 VanDerWaalsContact CA-O 3.31Å; V845-V870 WeakPolarHBondContact CA-O 3.44Å; V845-V870 HydrophobicContact CG1-CG1 4.02Å; V845-V870 WeakPolarHBondContact CG1-O 3.22Å; V845-Q871 HydrophobicContact CG2-CG 4.47Å |
| 846 | R | 54.4 | Low | 67.8 | Low | 49 Ų | 49 | 63.4 Ų | 63.4 | 19% | 0.185 | 38% | 0.383 | C | S | . | . | trans | -138.3 | 163.9 | 172.6 | 63.3 | 174.9 | 172.3 | 170.3 | 3.9 | 112.6 | Y829 G830 D831 W832 L869 V870 | Y829-R846 VanDerWaalsContact CE1-NH2 3.27Å; G830-R846 WeakPolarHBondContact O-CD 3.22Å; D831-R846 WeakPolarHBondContact O-CB 3.2Å; W832-R846 HydrophobicContact CD2-CB 4.05Å; W832-R846 HydrophobicContact CD2-CG 3.9Å; W832-R846 VanDerWaalsContact CE2-CD 3.48Å; W832-R846 HydrophobicContact CE3-CB 4.02Å; W832-R846 HydrophobicContact CE3-CG 3.87Å; W832-R846 HydrophobicContact CG-CB 4.32Å; W832-R846 HydrophobicContact CH2-CG 4.15Å; W832-R846 HydrophobicContact CZ2-CG 4.19Å; W832-R846 HydrophobicContact CZ3-CG 3.99Å; R846-L869 PolarHBondContact NE-O 2.61Å; R846-L869 PolarHBondContact NH2-O 2.03Å; R846-V870 PolarHBondContact N-O 2.98Å; R846-V870 WeakPolarHBondContact O-CG1 3.47Å | ||
| 847 | L | 72.4 | Confident | 67.4 | Low | 133 Ų | 133 | 66.1 Ų | 66.1 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | trans | -86.1 | 154.2 | 172.4 | -157.4 | 75.3 | 0 | 0 | 0 | 111.6 | G830 | G830-L847 PolarHBondContact N-O 2.75Š| ||
| 848 | A | 69.1 | Low | 68 | Low | 22 Ų | 22 | 66.6 Ų | 66.6 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 146.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W827 S828 Y829 L868 | W827-A848 HydrophobicContact CE3-CB 4.42Å; S828-A848 CarbonylContact O-C 3.53Å; S828-A848 WeakPolarHBondContact O-CA 3.27Å; Y829-A848 HydrophobicContact CD1-CB 3.64Å; Y829-A848 HydrophobicContact CE1-CB 3.8Å; A848-L868 HydrophobicContact CB-CD1 3.84Å |
| 849 | V | 76.2 | Confident | 68.3 | Low | 51 Ų | 51 | 66.8 Ų | 66.8 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 141.4 | 177.5 | -82.9 | 0 | 0 | 0 | 0 | 111.2 | S828 E857 | S828-V849 PolarHBondContact N-O 3.12Å; S828-V849 PolarHBondContact O-N 3.35Å; S828-V849 PolarHBondContact OG-O 3.03Å; S828-V849 VanDerWaalsContact OG-O 3.11Å; V849-E857 WeakPolarHBondContact CG1-OE1 3.45Å |
| 850 | C | 81.1 | Confident | 67.8 | Low | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.5 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | W827 E857 V858 C863 | W827-C850 HydrophobicContact CE3-CB 3.92Å; W827-C850 HydrophobicContact CH2-CB 4.25Å; W827-C850 HydrophobicContact CZ3-CB 3.75Å; C850-E857 WeakPolarHBondContact O-CA 3.42Å; C850-V858 PolarHBondContact O-N 3.09Å; C850-C863 VanDerWaalsContact CA-SG 3.58Å; C850-C863 HydrophobicContact CB-CB 3.82Å; C850-C863 WeakPolarHBondContact CB-SG 3.47Å; C850-C863 WeakPolarHBondContact SG-CB 3.1Å; C850-C863 PolarHBondContact SG-N 2.79Å; C850-C863 CovalentContact SG-SG 2.03Å; C850-C863 PolarHBondContact SG-SG 3.39Å |
| 851 | T | 69.1 | Low | 68.3 | Low | 34 Ų | 34 | 67.2 Ų | 67.2 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.4 | -174.5 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | A826 R856 | A826-T851 PolarHBondContact N-O 2.78Å; A826-T851 VanDerWaalsContact N-O 3.14Å; A826-T851 PolarHBondContact O-N 2.68Å; A826-T851 PolarHBondContact O-OG1 3.33Å; T851-R856 VanDerWaalsContact CA-O 3.3Å; T851-R856 WeakPolarHBondContact CA-O 3.5Å |
| 852 | D | 74.4 | Confident | 68.7 | Low | 32 Ų | 32 | 72.3 Ų | 72.3 | 17% | 0.171 | 41% | 0.407 | C | S | . | . | trans | -80.4 | 175.6 | 172.2 | 82.2 | -8.2 | 0 | 0 | 0 | 112.8 | A854 G855 R856 V858 | D852-A854 PolarHBondContact O-N 2.93Å; D852-A854 VanDerWaalsContact O-N 3.12Å; D852-A854 VanDerWaalsContact OD1-C 3.29Å; D852-A854 VanDerWaalsContact OD1-CA 3.28Å; D852-A854 WeakPolarHBondContact OD1-CA 3.17Å; D852-A854 WeakPolarHBondContact OD1-CB 3.49Å; D852-A854 PolarHBondContact OD1-N 2.84Å; D852-G855 PolarHBondContact O-N 3.42Å; D852-G855 PolarHBondContact OD1-N 2.03Å; D852-G855 VanDerWaalsContact OD1-N 3.08Å; D852-R856 PolarHBondContact N-O 2.78Å; D852-R856 WeakPolarHBondContact OD1-CB 3.2Å; D852-R856 PolarHBondContact OD1-N 2.63Å; D852-R856 IonicContact OD1-NE 2.75Å; D852-R856 IonicContact OD2-CZ 2.68Å; D852-R856 VanDerWaalsContact OD2-CZ 3.27Å; D852-R856 IonicContact OD2-NE 3.69Å; D852-R856 PolarHBondContact OD2-NE 2.83Å; D852-R856 IonicContact OD2-NH2 2.58Å; D852-R856 PolarHBondContact OD2-NH2 2.86Å; D852-V858 HydrophobicContact CB-CG1 3.98Å; D852-V858 HydrophobicContact CB-CG2 4.47Å | ||
| 853 | I | 62.3 | Low | 68.7 | Low | 158 Ų | 158 | 72.2 Ų | 72.2 | 81% | 0.81 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.5 | 177.9 | 62 | 168.2 | 0 | 0 | 0 | 114.4 | ||
| 854 | A | 63.4 | Low | 68.3 | Low | 66 Ų | 66 | 75 Ų | 75 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 6.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D852 R856 | D852-A854 PolarHBondContact O-N 2.93Å; D852-A854 VanDerWaalsContact O-N 3.12Å; D852-A854 VanDerWaalsContact OD1-C 3.29Å; D852-A854 VanDerWaalsContact OD1-CA 3.28Å; D852-A854 WeakPolarHBondContact OD1-CA 3.17Å; D852-A854 WeakPolarHBondContact OD1-CB 3.49Å; D852-A854 PolarHBondContact OD1-N 2.84Å; A854-R856 VanDerWaalsContact C-N 3.25Å; A854-R856 HydrophobicContact CB-CG 4.42Å; A854-R856 PolarHBondContact O-N 3.11Å |
| 855 | G | 56.3 | Low | 68.2 | Low | 59 Ų | 59 | 76.5 Ų | 76.5 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 72.2 | 15.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D852 | D852-G855 PolarHBondContact O-N 3.42Å; D852-G855 PolarHBondContact OD1-N 2.03Å; D852-G855 VanDerWaalsContact OD1-N 3.08Å |
| 856 | R | 70.1 | Confident | 67.7 | Low | 162 Ų | 162 | 77.4 Ų | 77.4 | 61% | 0.611 | 45% | 0.449 | S | S | * | . | trans | -84.7 | 136.4 | 177.3 | -63.1 | 176.1 | -65.9 | -159 | -0.9 | 109.7 | T851 D852 A854 V858 | T851-R856 VanDerWaalsContact CA-O 3.3Å; T851-R856 WeakPolarHBondContact CA-O 3.5Å; D852-R856 PolarHBondContact N-O 2.78Å; D852-R856 WeakPolarHBondContact OD1-CB 3.2Å; D852-R856 PolarHBondContact OD1-N 2.63Å; D852-R856 IonicContact OD1-NE 2.75Å; D852-R856 IonicContact OD2-CZ 2.68Å; D852-R856 VanDerWaalsContact OD2-CZ 3.27Å; D852-R856 IonicContact OD2-NE 3.69Å; D852-R856 PolarHBondContact OD2-NE 2.83Å; D852-R856 IonicContact OD2-NH2 2.58Å; D852-R856 PolarHBondContact OD2-NH2 2.86Å; A854-R856 VanDerWaalsContact C-N 3.25Å; A854-R856 HydrophobicContact CB-CG 4.42Å; A854-R856 PolarHBondContact O-N 3.11Å; R856-V858 PolarHBondContact O-N 3.43Å | ||
| 857 | E | 66.1 | Low | 68.1 | Low | 150 Ų | 150 | 77.4 Ų | 77.4 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | B | Isolated β-bridge | trans | -62.3 | 119.6 | 168.6 | -169.1 | 172.1 | -178.6 | 0 | 0 | 108.7 | V849 C850 | V849-E857 WeakPolarHBondContact CG1-OE1 3.45Å; C850-E857 WeakPolarHBondContact O-CA 3.42Å |
| 858 | V | 73.3 | Confident | 67.7 | Low | 41 Ų | 41 | 73.8 Ų | 73.8 | 25% | 0.248 | 44% | 0.438 | C | S | . | . | trans | -116.7 | 160.1 | 176.5 | -70.6 | 0 | 0 | 0 | 0 | 109 | P825 C850 D852 R856 A860 F862 | P825-V858 HydrophobicContact CB-CG2 4.45Å; C850-V858 PolarHBondContact O-N 3.09Å; D852-V858 HydrophobicContact CB-CG1 3.98Å; D852-V858 HydrophobicContact CB-CG2 4.47Å; R856-V858 PolarHBondContact O-N 3.43Å; V858-A860 PolarHBondContact O-N 3.08Å; V858-F862 HydrophobicContact CB-CD2 4.35Å; V858-F862 HydrophobicContact CG2-CB 4.48Å | ||
| 859 | D | 72.3 | Confident | 67.4 | Low | 99 Ų | 99 | 77.7 Ų | 77.7 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | trans | -53 | 136.8 | -175.8 | -171.5 | -79.7 | 0 | 0 | 0 | 111.8 | S861 F862 | D859-S861 PolarHBondContact O-N 3.13Å; D859-S861 VanDerWaalsContact OD1-CB 3.27Å; D859-S861 WeakPolarHBondContact OD1-CB 2.95Å; D859-S861 PolarHBondContact OD1-N 3.12Å; D859-S861 PolarHBondContact OD1-OG 3.2Å; D859-F862 HydrophobicContact CB-CD2 3.82Å; D859-F862 HydrophobicContact CB-CE2 3.9Å; D859-F862 WeakPolarHBondContact O-CD2 3.45Å; D859-F862 PolarHBondContact O-N 3.33Å | ||
| 860 | A | 62.4 | Low | 67.1 | Low | 54 Ų | 54 | 77.7 Ų | 77.7 | 45% | 0.446 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -52.4 | -27.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W827 V858 F862 C863 | W827-A860 HydrophobicContact CH2-CB 3.92Å; W827-A860 HydrophobicContact CZ3-CB 4.49Å; V858-A860 PolarHBondContact O-N 3.08Å; A860-F862 PolarHBondContact O-N 2.87Å; A860-C863 PolarHBondContact O-N 3.09Å |
| 861 | S | 71.7 | Confident | 66.6 | Low | 91 Ų | 91 | 83.8 Ų | 83.8 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -67.4 | -15.6 | 176.6 | 60.4 | 0 | 0 | 0 | 0 | 115 | D859 | D859-S861 PolarHBondContact O-N 3.13Å; D859-S861 VanDerWaalsContact OD1-CB 3.27Å; D859-S861 WeakPolarHBondContact OD1-CB 2.95Å; D859-S861 PolarHBondContact OD1-N 3.12Å; D859-S861 PolarHBondContact OD1-OG 3.2Å |
| 862 | F | 68.5 | Low | 66.9 | Low | 138 Ų | 138 | 86.7 Ų | 86.7 | 61% | 0.605 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -82.7 | -9 | 175.4 | -67.1 | -68.4 | 0 | 0 | 0 | 114.1 | P825 V858 D859 A860 | P825-F862 HydrophobicContact CG-CB 4.27Å; V858-F862 HydrophobicContact CB-CD2 4.35Å; V858-F862 HydrophobicContact CG2-CB 4.48Å; D859-F862 HydrophobicContact CB-CD2 3.82Å; D859-F862 HydrophobicContact CB-CE2 3.9Å; D859-F862 WeakPolarHBondContact O-CD2 3.45Å; D859-F862 PolarHBondContact O-N 3.33Å; A860-F862 PolarHBondContact O-N 2.87Å |
| 863 | C | 71.2 | Confident | 66.9 | Low | 6 Ų | 6 | 92.3 Ų | 92.3 | 4% | 0.041 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -111.1 | 140.2 | 173.1 | -70.2 | 0 | 0 | 0 | 0 | 110.5 | W827 C850 A860 S865 | W827-C863 HydrophobicContact CD2-CB 3.77Å; W827-C863 HydrophobicContact CE3-CB 4.38Å; W827-C863 HydrophobicContact CG-CB 4.18Å; W827-C863 HydrophobicContact CH2-CB 4.19Å; W827-C863 HydrophobicContact CZ2-CB 3.55Å; C850-C863 VanDerWaalsContact CA-SG 3.58Å; C850-C863 HydrophobicContact CB-CB 3.82Å; C850-C863 WeakPolarHBondContact CB-SG 3.47Å; C850-C863 WeakPolarHBondContact SG-CB 3.1Å; C850-C863 PolarHBondContact SG-N 2.79Å; C850-C863 CovalentContact SG-SG 2.03Å; C850-C863 PolarHBondContact SG-SG 3.39Å; A860-C863 PolarHBondContact O-N 3.09Å; C863-S865 PolarHBondContact O-N 3.39Å |
| 864 | D | 63.6 | Low | 67.1 | Low | 105 Ų | 105 | 85.8 Ų | 85.8 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | trans | -62.5 | 114.6 | 178.5 | 168.6 | 36.4 | 0 | 0 | 0 | 111.5 | W827 A866 S867 | W827-D864 PolarHBondContact NE1-O 2.03Å; D864-A866 VanDerWaalsContact C-N 3.26Å; D864-A866 PolarHBondContact O-N 3.24Å; D864-A866 WeakPolarHBondContact OD1-CB 3.38Å; D864-A866 PolarHBondContact OD1-N 2.87Å; D864-S867 PolarHBondContact O-N 3.07Å; D864-S867 PolarHBondContact O-OG 3.24Å; D864-S867 PolarHBondContact OD2-N 3.4Å | ||
| 865 | S | 62.9 | Low | 66.9 | Low | 79 Ų | 79 | 86 Ų | 86 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -67.9 | -20.2 | 179.5 | -64.8 | 0 | 0 | 0 | 0 | 113.5 | C863 S867 L868 | C863-S865 PolarHBondContact O-N 3.39Å; S865-S867 VanDerWaalsContact C-N 3.27Å; S865-S867 PolarHBondContact O-N 3.06Å; S865-L868 WeakPolarHBondContact O-CB 3.04Å; S865-L868 PolarHBondContact O-N 3.3Å |
| 866 | A | 61.4 | Low | 67.3 | Low | 92 Ų | 92 | 89.6 Ų | 89.6 | 76% | 0.76 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -69.8 | -25.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | D864 L868 | D864-A866 VanDerWaalsContact C-N 3.26Å; D864-A866 PolarHBondContact O-N 3.24Å; D864-A866 WeakPolarHBondContact OD1-CB 3.38Å; D864-A866 PolarHBondContact OD1-N 2.87Å; A866-L868 VanDerWaalsContact C-N 3.3Å; A866-L868 PolarHBondContact O-N 3.13Å |
| 867 | S | 63.1 | Low | 66.8 | Low | 50 Ų | 50 | 87.1 Ų | 87.1 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -79.8 | -4.5 | 174.1 | 73.7 | 0 | 0 | 0 | 0 | 114.7 | W827 Y829 D864 S865 L869 | W827-S867 PolarHBondContact NE1-OG 3.22Å; Y829-S867 PolarHBondContact OH-O 3Å; D864-S867 PolarHBondContact O-N 3.07Å; D864-S867 PolarHBondContact O-OG 3.24Å; D864-S867 PolarHBondContact OD2-N 3.4Å; S865-S867 VanDerWaalsContact C-N 3.27Å; S865-S867 PolarHBondContact O-N 3.06Å; S867-L869 PolarHBondContact O-N 2.76Å |
| 868 | L | 63.2 | Low | 66.6 | Low | 57 Ų | 57 | 86.6 Ų | 86.6 | 30% | 0.298 | 47% | 0.473 | S | S | . | . | trans | -78.7 | 79.1 | -170.9 | -171.1 | 76.8 | 0 | 0 | 0 | 113.2 | W827 A848 S865 A866 V870 | W827-L868 HydrophobicContact CD2-CD1 3.45Å; W827-L868 VanDerWaalsContact CD2-CD1 3.45Å; W827-L868 HydrophobicContact CE3-CD1 3.56Å; W827-L868 HydrophobicContact CG-CD1 4.05Å; W827-L868 HydrophobicContact CH2-CD1 3.89Å; W827-L868 HydrophobicContact CZ2-CD1 3.77Å; W827-L868 HydrophobicContact CZ2-CG 4.49Å; W827-L868 HydrophobicContact CZ3-CD1 3.78Å; A848-L868 HydrophobicContact CB-CD1 3.84Å; S865-L868 WeakPolarHBondContact O-CB 3.04Å; S865-L868 PolarHBondContact O-N 3.3Å; A866-L868 VanDerWaalsContact C-N 3.3Å; A866-L868 PolarHBondContact O-N 3.13Å; L868-V870 HydrophobicContact CD1-CG2 4.34Å; L868-V870 HydrophobicContact CD2-CG2 3.64Å; L868-V870 HydrophobicContact CG-CG2 3.57Å; L868-V870 PolarHBondContact O-N 2.95Å | ||
| 869 | L | 63 | Low | 66.3 | Low | 104 Ų | 104 | 86.6 Ų | 86.6 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | trans | -78 | 85.1 | 173.9 | -79.8 | 100 | 0 | 0 | 0 | 112.5 | R846 S867 | R846-L869 PolarHBondContact NE-O 2.61Å; R846-L869 PolarHBondContact NH2-O 2.03Å; S867-L869 PolarHBondContact O-N 2.76Å | ||
| 870 | V | 69.7 | Low | 66.4 | Low | 51 Ų | 51 | 84.2 Ų | 84.2 | 31% | 0.309 | 46% | 0.463 | S | S | . | . | trans | -81.9 | -32.9 | 174.4 | -162.2 | 0 | 0 | 0 | 0 | 112.9 | W832 V845 R846 L868 | W832-V870 VanDerWaalsContact CZ3-O 3.26Å; W832-V870 WeakPolarHBondContact CZ3-O 3.04Å; V845-V870 CarbonylContact C-O 3.54Å; V845-V870 VanDerWaalsContact CA-O 3.31Å; V845-V870 WeakPolarHBondContact CA-O 3.44Å; V845-V870 HydrophobicContact CG1-CG1 4.02Å; V845-V870 WeakPolarHBondContact CG1-O 3.22Å; R846-V870 PolarHBondContact N-O 2.98Å; R846-V870 WeakPolarHBondContact O-CG1 3.47Å; L868-V870 HydrophobicContact CD1-CG2 4.34Å; L868-V870 HydrophobicContact CD2-CG2 3.64Å; L868-V870 HydrophobicContact CG-CG2 3.57Å; L868-V870 PolarHBondContact O-N 2.95Å | ||
| 871 | Q | 71.3 | Confident | 66.9 | Low | 131 Ų | 131 | 88.1 Ų | 88.1 | 61% | 0.612 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 140.5 | -162.1 | -176 | 177 | -29.8 | 0 | 0 | 111.8 | V843 Q844 V845 | V843-Q871 HydrophobicContact CG1-CG 3.4Å; Q844-Q871 WeakPolarHBondContact O-CA 3.37Å; V845-Q871 HydrophobicContact CG2-CG 4.47Å |
| 872 | Q | 73.8 | Confident | 67.4 | Low | 96 Ų | 96 | 84.6 Ų | 84.6 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 142.3 | 179.7 | -167.9 | -173.8 | 9 | 0 | 0 | 111.6 | W832 V843 Q844 | W832-Q872 HydrophobicContact CH2-CB 3.92Å; W832-Q872 HydrophobicContact CZ3-CB 3.92Å; V843-Q872 CarbonylContact C-O 3.48Å; V843-Q872 WeakPolarHBondContact CA-O 3.37Å; Q844-Q872 HydrophobicContact CG-CB 4.02Å; Q844-Q872 PolarHBondContact N-O 2.89Å; Q844-Q872 PolarHBondContact O-N 3.27Å |
| 873 | K | 76 | Confident | 67.3 | Low | 149 Ų | 149 | 82.4 Ų | 82.4 | 65% | 0.648 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 153.2 | 172 | -54.8 | -170.1 | -170.8 | 177.8 | 0 | 112.3 | G842 E876 | G842-K873 WeakPolarHBondContact O-CA 3.34Å; K873-E876 WeakPolarHBondContact CD-OE1 3.25Å; K873-E876 IonicContact NZ-OE1 3.58Å |
| 874 | C | 65.2 | Low | 67.4 | Low | 22 Ų | 22 | 85.6 Ų | 85.6 | 15% | 0.149 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 160.3 | -178.4 | 41.1 | 0 | 0 | 0 | 0 | 111.5 | C835 G842 E876 | C835-C874 HydrophobicContact CB-CB 3.99Å; C835-C874 WeakPolarHBondContact CB-SG 3.21Å; C835-C874 WeakPolarHBondContact SG-CB 3.1Å; C835-C874 CovalentContact SG-SG 2.02Å; C835-C874 PolarHBondContact SG-SG 2.8Å; G842-C874 PolarHBondContact N-O 2.9Å; G842-C874 PolarHBondContact O-N 3.12Å; G842-C874 PolarHBondContact O-SG 2.79Å; C874-E876 PolarHBondContact O-N 2.87Å |
| 875 | N | 60.8 | Low | 67.7 | Low | 70 Ų | 70 | 81.5 Ų | 81.5 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | trans | 56.5 | 34.8 | 169.6 | -60.2 | -23.4 | 0 | 0 | 0 | 117.3 | C835 A837 G841 H877 | C835-N875 PolarHBondContact SG-ND2 2.67Å; A837-N875 WeakPolarHBondContact O-CB 3.19Å; A837-N875 PolarHBondContact O-ND2 3.06Å; G841-N875 WeakPolarHBondContact CA-O 3.2Å; G841-N875 PolarHBondContact N-O 3.2Å; N875-H877 PolarHBondContact O-N 3.42Å | ||
| 876 | E | 63.6 | Low | 67.8 | Low | 135 Ų | 135 | 83.1 Ų | 83.1 | 63% | 0.631 | 44% | 0.441 | S | S | * | . | trans | -70.8 | 27.8 | -177.4 | -55.1 | -175.3 | 141 | 0 | 0 | 115.9 | K873 C874 | K873-E876 WeakPolarHBondContact CD-OE1 3.25Å; K873-E876 IonicContact NZ-OE1 3.58Å; C874-E876 PolarHBondContact O-N 2.87Å | ||
| 877 | H | 59 | Low | 68.1 | Low | 110 Ų | 110 | 83 Ų | 83 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | trans | -106.8 | 137.1 | -178.3 | 65 | -82 | 0 | 0 | 0 | 111.7 | S838 C839 D840 N875 | S838-H877 PolarHBondContact O-CE1 3.02Å; C839-H877 CarbonylContact C-O 3.58Å; C839-H877 WeakPolarHBondContact CA-O 3.42Å; C839-H877 VanDerWaalsContact CB-O 3.25Å; C839-H877 WeakPolarHBondContact CB-O 3.42Å; D840-H877 PolarHBondContact N-O 2.99Å; N875-H877 PolarHBondContact O-N 3.42Å | ||
| 878 | M | 62.1 | Low | 68 | Low | 139 Ų | 139 | 83.3 Ų | 83.3 | 69% | 0.685 | 42% | 0.423 | S | S | * | . | trans | -76.3 | 145.4 | -174.3 | 58.2 | 175.6 | 60.1 | 0 | 0 | 114.5 | D840 T880 | D840-M878 VanDerWaalsContact OD1-CA 3.25Å; D840-M878 WeakPolarHBondContact OD1-CA 3.4Å; D840-M878 WeakPolarHBondContact OD1-CB 3.37Å; M878-T880 PolarHBondContact O-N 3.16Å | ||
| 879 | C | 66.4 | Low | 67.9 | Low | 41 Ų | 41 | 88 Ų | 88 | 28% | 0.277 | 45% | 0.448 | S | S | . | . | trans | -87.6 | 104.8 | -173 | -38.4 | 0 | 0 | 0 | 0 | 112.3 | C839 D840 | C839-C879 HydrophobicContact CB-CB 4.21Å; C839-C879 WeakPolarHBondContact CB-SG 3.34Å; C839-C879 WeakPolarHBondContact SG-CB 3.46Å; C839-C879 CovalentContact SG-SG 2.04Å; C839-C879 PolarHBondContact SG-SG 3.38Å; D840-C879 PolarHBondContact OD2-SG 3.02Å | ||
| 880 | T | 75.7 | Confident | 68.1 | Low | 48 Ų | 48 | 86.1 Ų | 86.1 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | trans | -121.1 | 152.3 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | M878 L913 N917 | M878-T880 PolarHBondContact O-N 3.16Å; T880-L913 HydrophobicContact CG2-CD1 3.78Å; T880-N917 WeakPolarHBondContact CB-O 3.31Å; T880-N917 WeakPolarHBondContact CG2-O 3.48Å; T880-N917 PolarHBondContact OG1-O 2.99Å | ||
| 881 | Q | 73.4 | Confident | 67.9 | Low | 137 Ų | 137 | 87.5 Ų | 87.5 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 145.1 | -171.9 | -177 | 171.3 | -21.1 | 0 | 0 | 114.6 | V906 C918 | Q881-V906 PolarHBondContact N-O 3Å; Q881-V906 WeakPolarHBondContact O-CG2 3.36Å; Q881-V906 PolarHBondContact O-N 2.82Å; Q881-C918 VanDerWaalsContact C-SG 3.55Å; Q881-C918 PolarHBondContact O-SG 3.14Å; Q881-C918 VanDerWaalsContact O-SG 3.39Å |
| 882 | W | 80.9 | Confident | 66.8 | Low | 17 Ų | 17 | 87.1 Ų | 87.1 | 6% | 0.064 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 136.7 | 171.9 | -68.3 | 109.4 | 0 | 0 | 0 | 112.9 | Y884 A903 C905 D915 C918 S919 K923 | W882-Y884 HydrophobicContact CB-CE2 3.84Å; W882-A903 HydrophobicContact CE3-CB 4.48Å; W882-C905 HydrophobicContact CE3-CB 4.25Å; W882-C905 HydrophobicContact CH2-CB 4.32Å; W882-C905 HydrophobicContact CZ3-CB 3.98Å; W882-D915 HydrophobicContact CH2-CB 3.8Å; W882-D915 HydrophobicContact CZ3-CB 4.2Å; W882-D915 VanDerWaalsContact CZ3-CG 3.44Å; W882-D915 WeakPolarHBondContact CZ3-OD1 3.49Å; W882-C918 HydrophobicContact CD2-CB 3.85Å; W882-C918 HydrophobicContact CE3-CB 4.43Å; W882-C918 HydrophobicContact CG-CB 4.33Å; W882-C918 HydrophobicContact CH2-CB 4.03Å; W882-C918 HydrophobicContact CZ2-CB 3.43Å; W882-C918 VanDerWaalsContact CZ2-CB 3.43Å; W882-C918 WeakPolarHBondContact CZ2-O 3.32Å; W882-S919 PolarHBondContact NE1-O 2.72Å; W882-K923 HydrophobicContact CD2-CB 4.07Å; W882-K923 HydrophobicContact CD2-CG 3.94Å; W882-K923 HydrophobicContact CE3-CD 4.33Å; W882-K923 HydrophobicContact CE3-CG 3.92Å; W882-K923 HydrophobicContact CH2-CB 4.32Å; W882-K923 HydrophobicContact CH2-CD 3.47Å; W882-K923 VanDerWaalsContact CH2-CD 3.47Å; W882-K923 HydrophobicContact CH2-CG 3.89Å; W882-K923 HydrophobicContact CZ2-CB 3.75Å; W882-K923 HydrophobicContact CZ2-CD 3.72Å; W882-K923 HydrophobicContact CZ2-CG 3.84Å; W882-K923 HydrophobicContact CZ3-CD 3.79Å; W882-K923 HydrophobicContact CZ3-CG 3.91Å |
| 883 | M | 65.9 | Low | 66 | Low | 91 Ų | 91 | 88.5 Ų | 88.5 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 161.7 | 165.1 | -70.3 | -174.2 | 69.3 | 0 | 0 | 111.5 | A903 W904 V906 | M883-A903 WeakPolarHBondContact O-CA 3.28Å; M883-W904 HydrophobicContact CB-CZ2 4.37Å; M883-W904 PolarHBondContact N-O 2.82Å; M883-W904 PolarHBondContact O-N 2.71Å; M883-W904 VanDerWaalsContact O-N 3.15Å; M883-V906 HydrophobicContact CG-CG2 4.07Å; M883-V906 HydrophobicContact SD-CG1 4.07Å; M883-V906 HydrophobicContact SD-CG2 4.21Å |
| 884 | Y | 74.7 | Confident | 65.1 | Low | 74 Ų | 74 | 85.5 Ų | 85.5 | 29% | 0.29 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.4 | -167.1 | -66.7 | -73.7 | 0 | 0 | 0 | 115.5 | W882 R901 D902 A903 K922 V924 | W882-Y884 HydrophobicContact CB-CE2 3.84Å; Y884-R901 VanDerWaalsContact CD1-NH2 3.31Å; Y884-R901 VanDerWaalsContact CG-CZ 3.48Å; Y884-D902 WeakPolarHBondContact CA-O 3.35Å; Y884-A903 HydrophobicContact CD1-CB 3.62Å; Y884-A903 HydrophobicContact CE1-CB 3.6Å; Y884-K922 PolarHBondContact OH-O 2.91Å; Y884-V924 HydrophobicContact CE1-CB 4.31Å; Y884-V924 VanDerWaalsContact CE1-O 3.31Å; Y884-V924 WeakPolarHBondContact CE1-O 3.16Å; Y884-V924 PolarHBondContact OH-N 3.47Å |
| 885 | G | 70.1 | Confident | 64 | Low | 18 Ų | 18 | 85.3 Ų | 85.3 | 19% | 0.186 | 47% | 0.465 | C | S | . | . | trans | -91.8 | -174.5 | 168 | 0 | 0 | 0 | 0 | 0 | 115.4 | R901 D902 | G885-R901 VanDerWaalsContact O-CD 3.23Å; G885-R901 WeakPolarHBondContact O-CD 3.44Å; G885-D902 PolarHBondContact N-O 3.24Å | ||
| 886 | P | 63.9 | Low | 63.7 | Low | 113 Ų | 113 | 84.7 Ų | 84.7 | 73% | 0.734 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 159.9 | 176 | 33.3 | -35.2 | 0 | 0 | 0 | 113.3 | R901 | P886-R901 WeakPolarHBondContact O-CB 3.49Š|
| 887 | W | 68.7 | Low | 63.4 | Low | 90 Ų | 90 | 78.3 Ų | 78.3 | 34% | 0.341 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 154.1 | -176.5 | -70.7 | 109.8 | 0 | 0 | 0 | 114.4 | T900 R901 V924 Q927 | W887-T900 WeakPolarHBondContact CA-O 3.41Å; W887-T900 VanDerWaalsContact CE3-C 3.46Å; W887-R901 HydrophobicContact CD2-CB 4.07Å; W887-R901 HydrophobicContact CD2-CG 3.89Å; W887-R901 VanDerWaalsContact CE2-CD 3.46Å; W887-R901 HydrophobicContact CE3-CB 3.88Å; W887-R901 HydrophobicContact CE3-CG 3.74Å; W887-R901 HydrophobicContact CH2-CG 3.91Å; W887-R901 HydrophobicContact CZ2-CG 4.08Å; W887-R901 HydrophobicContact CZ3-CB 4.3Å; W887-R901 HydrophobicContact CZ3-CG 3.73Å; W887-V924 HydrophobicContact CH2-CG1 4.13Å; W887-V924 HydrophobicContact CZ2-CG1 4.14Å; W887-Q927 HydrophobicContact CD2-CG 4.45Å; W887-Q927 VanDerWaalsContact CD2-NE2 3.27Å; W887-Q927 HydrophobicContact CE3-CG 3.95Å; W887-Q927 HydrophobicContact CH2-CB 3.69Å; W887-Q927 HydrophobicContact CH2-CG 3.69Å; W887-Q927 HydrophobicContact CZ2-CB 4.31Å; W887-Q927 HydrophobicContact CZ2-CG 4.18Å; W887-Q927 HydrophobicContact CZ3-CB 3.96Å; W887-Q927 HydrophobicContact CZ3-CG 3.55Å |
| 888 | S | 61.6 | Low | 63.6 | Low | 56 Ų | 56 | 77.5 Ų | 77.5 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 172.5 | 170.5 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | S899 T900 | S888-S899 WeakPolarHBondContact O-CB 3.32Å; S888-S899 PolarHBondContact O-OG 3Å; S888-S899 VanDerWaalsContact O-OG 3.08Å; S888-T900 PolarHBondContact N-O 2.88Å; S888-T900 VanDerWaalsContact N-O 3.09Å; S888-T900 PolarHBondContact OG-N 2.63Å; S888-T900 PolarHBondContact OG-O 3.48Å; S888-T900 PolarHBondContact OG-OG1 3.36Å |
| 889 | D | 60.7 | Low | 63.8 | Low | 155 Ų | 155 | 71.2 Ų | 71.2 | 83% | 0.829 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 170.6 | 178.7 | -77.9 | -55.9 | 0 | 0 | 0 | 114.7 | S899 | D889-S899 WeakPolarHBondContact O-CB 3.42Š|
| 890 | C | 67.8 | Low | 64 | Low | 65 Ų | 65 | 72.8 Ų | 72.8 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 144.4 | -172.6 | -174.2 | 0 | 0 | 0 | 0 | 115.1 | C929 | C890-C929 WeakPolarHBondContact CA-SG 3.3Å; C890-C929 HydrophobicContact CB-CB 3.7Å; C890-C929 WeakPolarHBondContact CB-SG 3.36Å; C890-C929 WeakPolarHBondContact SG-CB 3.13Å; C890-C929 CovalentContact SG-SG 2.03Å; C890-C929 PolarHBondContact SG-SG 3.24Å |
| 891 | S | 64.4 | Low | 63.2 | Low | 80 Ų | 80 | 73 Ų | 73 | 56% | 0.559 | 40% | 0.404 | S | S | * | . | trans | -102.2 | -3.2 | -170.2 | 54.4 | 0 | 0 | 0 | 0 | 118.2 | G897 I898 | S891-G897 WeakPolarHBondContact OG-CA 3.24Å; S891-I898 PolarHBondContact OG-N 3.34Å; S891-I898 PolarHBondContact OG-O 3.46Å | ||
| 892 | K | 48.6 | Very low | 63.2 | Low | 124 Ų | 124 | 71.9 Ų | 71.9 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | trans | -147 | 154.1 | 176.1 | -71.9 | -165.2 | -174.3 | 166.7 | 0 | 114.8 | D896 H931 | K892-D896 WeakPolarHBondContact CD-O 3.38Å; K892-H931 PolarHBondContact O-CD2 2.94Å; K892-H931 VanDerWaalsContact O-CD2 3.32Å | ||
| 893 | T | 56.7 | Low | 62.9 | Low | 125 Ų | 125 | 72 Ų | 72 | 77% | 0.767 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -103.6 | -15.1 | -175.9 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | H931 | T893-H931 WeakPolarHBondContact O-CB 3.35Š|
| 894 | C | 56.4 | Low | 63.3 | Low | 85 Ų | 85 | 72 Ų | 72 | 57% | 0.574 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -157.8 | 153.5 | 155.4 | 61.1 | 0 | 0 | 0 | 0 | 108.6 | H931 L932 | C894-H931 CarbonylContact C-O 3.48Å; C894-H931 WeakPolarHBondContact CA-O 3.05Å; C894-L932 HydrophobicContact CB-CB 4.46Å |
| 895 | G | 43.5 | Very low | 63.5 | Low | 18 Ų | 18 | 68.5 Ų | 68.5 | 19% | 0.186 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.7 | 162.3 | -156.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G897 H931 L932 S933 | G895-G897 PolarHBondContact O-N 3Å; G895-H931 CarbonylContact C-O 3.5Å; G895-H931 PolarHBondContact N-O 3.34Å; G895-L932 PolarHBondContact N-O 3.26Å; G895-S933 WeakPolarHBondContact CA-O 3.15Å |
| 896 | D | 54.8 | Low | 63.8 | Low | 57 Ų | 57 | 68.4 Ų | 68.4 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 115.9 | -177 | -73.7 | 3.7 | 0 | 0 | 0 | 112.8 | K892 V928 R930 S933 | K892-D896 WeakPolarHBondContact CD-O 3.38Å; D896-V928 HydrophobicContact CB-CG1 3.58Å; D896-R930 WeakPolarHBondContact OD1-CD 3.39Å; D896-R930 VanDerWaalsContact OD1-CG 3.29Å; D896-R930 WeakPolarHBondContact OD1-CG 3.34Å; D896-R930 IonicContact OD1-CZ 2.72Å; D896-R930 IonicContact OD1-NE 3.64Å; D896-R930 PolarHBondContact OD1-NE 2.86Å; D896-R930 IonicContact OD2-CZ 2.76Å; D896-R930 VanDerWaalsContact OD2-CZ 3.24Å; D896-R930 IonicContact OD2-NE 3.42Å; D896-R930 PolarHBondContact OD2-NE 2.88Å; D896-R930 IonicContact OD2-NH2 3.35Å; D896-R930 PolarHBondContact OD2-NH2 2.96Å; D896-S933 WeakPolarHBondContact OD1-CB 3.2Å; D896-S933 PolarHBondContact OD1-OG 3.44Å |
| 897 | G | 56.4 | Low | 64.1 | Low | 2 Ų | 2 | 64.9 Ų | 64.9 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 179 | 158 | 0 | 0 | 0 | 0 | 0 | 110.9 | S891 G895 V928 C929 | S891-G897 WeakPolarHBondContact OG-CA 3.24Å; G895-G897 PolarHBondContact O-N 3Å; G897-V928 CarbonylContact O-C 3.57Å; G897-V928 WeakPolarHBondContact O-CA 3.39Å; G897-V928 WeakPolarHBondContact O-CG1 3.45Å; G897-C929 CarbonylContact C-O 3.35Å; G897-C929 WeakPolarHBondContact CA-O 3.29Å; G897-C929 PolarHBondContact N-O 3.07Å; G897-C929 PolarHBondContact O-N 3.25Å |
| 898 | I | 63.6 | Low | 64 | Low | 93 Ų | 93 | 65 Ų | 65 | 48% | 0.477 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.7 | -179.9 | -57 | 175.8 | 0 | 0 | 0 | 109.5 | S891 T900 Q927 C929 | S891-I898 PolarHBondContact OG-N 3.34Å; S891-I898 PolarHBondContact OG-O 3.46Å; I898-T900 HydrophobicContact CG2-CG2 4.35Å; I898-Q927 WeakPolarHBondContact CA-O 3.22Å; I898-C929 PolarHBondContact N-SG 2.99Å |
| 899 | S | 65.1 | Low | 64.2 | Low | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 163.2 | 160.1 | 84.9 | 0 | 0 | 0 | 0 | 112.3 | S888 D889 S926 Q927 | S888-S899 WeakPolarHBondContact O-CB 3.32Å; S888-S899 PolarHBondContact O-OG 3Å; S888-S899 VanDerWaalsContact O-OG 3.08Å; D889-S899 WeakPolarHBondContact O-CB 3.42Å; S899-S926 WeakPolarHBondContact O-CA 3.2Å; S899-Q927 PolarHBondContact N-O 2.94Å; S899-Q927 PolarHBondContact O-N 2.82Å; S899-Q927 PolarHBondContact OG-NE2 2.73Å |
| 900 | T | 71.1 | Confident | 64.3 | Low | 75 Ų | 75 | 66.2 Ų | 66.2 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 159 | -161.3 | 52 | 0 | 0 | 0 | 0 | 113.2 | W887 S888 I898 A925 | W887-T900 WeakPolarHBondContact CA-O 3.41Å; W887-T900 VanDerWaalsContact CE3-C 3.46Å; S888-T900 PolarHBondContact N-O 2.88Å; S888-T900 VanDerWaalsContact N-O 3.09Å; S888-T900 PolarHBondContact OG-N 2.63Å; S888-T900 PolarHBondContact OG-O 3.48Å; S888-T900 PolarHBondContact OG-OG1 3.36Å; I898-T900 HydrophobicContact CG2-CG2 4.35Å; T900-A925 CarbonylContact C-O 3.45Å; T900-A925 WeakPolarHBondContact CA-O 3.25Å |
| 901 | R | 59.9 | Low | 64.6 | Low | 53 Ų | 53 | 66.9 Ų | 66.9 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | trans | -156.5 | 164.1 | 172.2 | 66.2 | 172.8 | 175 | 172.9 | 4.3 | 111.6 | Y884 G885 P886 W887 V924 A925 | Y884-R901 VanDerWaalsContact CD1-NH2 3.31Å; Y884-R901 VanDerWaalsContact CG-CZ 3.48Å; G885-R901 VanDerWaalsContact O-CD 3.23Å; G885-R901 WeakPolarHBondContact O-CD 3.44Å; P886-R901 WeakPolarHBondContact O-CB 3.49Å; W887-R901 HydrophobicContact CD2-CB 4.07Å; W887-R901 HydrophobicContact CD2-CG 3.89Å; W887-R901 VanDerWaalsContact CE2-CD 3.46Å; W887-R901 HydrophobicContact CE3-CB 3.88Å; W887-R901 HydrophobicContact CE3-CG 3.74Å; W887-R901 HydrophobicContact CH2-CG 3.91Å; W887-R901 HydrophobicContact CZ2-CG 4.08Å; W887-R901 HydrophobicContact CZ3-CB 4.3Å; W887-R901 HydrophobicContact CZ3-CG 3.73Å; R901-V924 VanDerWaalsContact CZ-O 3.3Å; R901-V924 PolarHBondContact NE-O 2.8Å; R901-V924 PolarHBondContact NH2-O 3.13Å; R901-A925 PolarHBondContact N-O 3.03Å | ||
| 902 | D | 73 | Confident | 64.9 | Low | 112 Ų | 112 | 70 Ų | 70 | 60% | 0.599 | 39% | 0.385 | S | S | * | . | trans | -79.3 | 154 | 176.7 | -49.8 | -54.8 | 0 | 0 | 0 | 113 | Y884 G885 W904 | Y884-D902 WeakPolarHBondContact CA-O 3.35Å; G885-D902 PolarHBondContact N-O 3.24Å; D902-W904 HydrophobicContact CB-CZ3 4.13Å | ||
| 903 | A | 74 | Confident | 65.9 | Low | 21 Ų | 21 | 66.1 Ų | 66.1 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 153 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W882 M883 Y884 K923 A925 | W882-A903 HydrophobicContact CE3-CB 4.48Å; M883-A903 WeakPolarHBondContact O-CA 3.28Å; Y884-A903 HydrophobicContact CD1-CB 3.62Å; Y884-A903 HydrophobicContact CE1-CB 3.6Å; A903-K923 HydrophobicContact CB-CG 4.18Å; A903-A925 HydrophobicContact CB-CB 4.26Å |
| 904 | W | 73.6 | Confident | 66.7 | Low | 91 Ų | 91 | 65.4 Ų | 65.4 | 35% | 0.345 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 151.9 | 174.8 | 54.4 | 87.4 | 0 | 0 | 0 | 113 | M883 D902 | M883-W904 HydrophobicContact CB-CZ2 4.37Å; M883-W904 PolarHBondContact N-O 2.82Å; M883-W904 PolarHBondContact O-N 2.71Å; M883-W904 VanDerWaalsContact O-N 3.15Å; D902-W904 HydrophobicContact CB-CZ3 4.13Å |
| 905 | C | 80.8 | Confident | 67.2 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 143.7 | -178.8 | -174.8 | 0 | 0 | 0 | 0 | 113.9 | W882 L913 D915 C918 | W882-C905 HydrophobicContact CE3-CB 4.25Å; W882-C905 HydrophobicContact CH2-CB 4.32Å; W882-C905 HydrophobicContact CZ3-CB 3.98Å; C905-L913 HydrophobicContact CB-CB 4.48Å; C905-L913 PolarHBondContact O-N 2.91Å; C905-D915 PolarHBondContact N-OD1 3.48Å; C905-D915 VanDerWaalsContact N-OD1 3.08Å; C905-C918 VanDerWaalsContact CA-SG 3.54Å; C905-C918 HydrophobicContact CB-CB 3.68Å; C905-C918 WeakPolarHBondContact CB-SG 3Å; C905-C918 WeakPolarHBondContact SG-CB 3.03Å; C905-C918 PolarHBondContact SG-N 2.88Å; C905-C918 VanDerWaalsContact SG-N 3.39Å; C905-C918 CovalentContact SG-SG 2.03Å; C905-C918 PolarHBondContact SG-SG 2.8Å |
| 906 | V | 74.5 | Confident | 68.4 | Low | 15 Ų | 15 | 66.6 Ų | 66.6 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.6 | 171.6 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | Q881 M883 T911 | Q881-V906 PolarHBondContact N-O 3Å; Q881-V906 WeakPolarHBondContact O-CG2 3.36Å; Q881-V906 PolarHBondContact O-N 2.82Å; M883-V906 HydrophobicContact CG-CG2 4.07Å; M883-V906 HydrophobicContact SD-CG1 4.07Å; M883-V906 HydrophobicContact SD-CG2 4.21Å; V906-T911 VanDerWaalsContact CA-O 3.31Å; V906-T911 WeakPolarHBondContact CA-O 3.24Å |
| 907 | D | 71.3 | Confident | 68.9 | Low | 40 Ų | 40 | 67.7 Ų | 67.7 | 21% | 0.214 | 37% | 0.371 | C | S | . | . | trans | -85 | 179.5 | 168.1 | 71.3 | 16.1 | 0 | 0 | 0 | 113 | K909 G910 T911 L913 | D907-K909 PolarHBondContact O-N 2.91Å; D907-K909 VanDerWaalsContact O-N 3.16Å; D907-K909 VanDerWaalsContact OD1-C 3.27Å; D907-K909 VanDerWaalsContact OD1-CA 3.26Å; D907-K909 WeakPolarHBondContact OD1-CA 3.39Å; D907-K909 WeakPolarHBondContact OD1-CB 3.25Å; D907-K909 PolarHBondContact OD1-N 3.05Å; D907-G910 PolarHBondContact O-N 2.04Å; D907-G910 PolarHBondContact OD1-N 3.11Å; D907-T911 VanDerWaalsContact CG-OG1 3.23Å; D907-T911 PolarHBondContact N-O 3.35Å; D907-T911 VanDerWaalsContact N-O 3.07Å; D907-T911 PolarHBondContact OD1-N 2.97Å; D907-T911 PolarHBondContact OD1-OG1 3.19Å; D907-T911 VanDerWaalsContact OD1-OG1 3.08Å; D907-T911 WeakPolarHBondContact OD2-CB 3.32Å; D907-T911 PolarHBondContact OD2-OG1 3.04Å; D907-L913 HydrophobicContact CB-CD1 3.88Å; D907-L913 HydrophobicContact CB-CD2 4.27Å; D907-L913 HydrophobicContact CB-CG 4.04Å | ||
| 908 | S | 66 | Low | 69.5 | Low | 92 Ų | 92 | 67.8 Ų | 67.8 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -7.2 | 176.9 | 57.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 909 | K | 67.2 | Low | 69.5 | Low | 185 Ų | 185 | 65.8 Ų | 65.8 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 0.3 | 173.5 | -65.2 | 179 | -179.7 | 173.6 | 0 | 112.6 | D907 T911 | D907-K909 PolarHBondContact O-N 2.91Å; D907-K909 VanDerWaalsContact O-N 3.16Å; D907-K909 VanDerWaalsContact OD1-C 3.27Å; D907-K909 VanDerWaalsContact OD1-CA 3.26Å; D907-K909 WeakPolarHBondContact OD1-CA 3.39Å; D907-K909 WeakPolarHBondContact OD1-CB 3.25Å; D907-K909 PolarHBondContact OD1-N 3.05Å; K909-T911 VanDerWaalsContact C-N 3.31Å |
| 910 | G | 60.9 | Low | 69.2 | Low | 52 Ų | 52 | 71 Ų | 71 | 54% | 0.536 | 39% | 0.389 | S | S | . | . | trans | 79.5 | 9.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D907 K912 | D907-G910 PolarHBondContact O-N 2.04Å; D907-G910 PolarHBondContact OD1-N 3.11Å; G910-K912 PolarHBondContact O-N 2.97Å | ||
| 911 | T | 75.2 | Confident | 68.4 | Low | 78 Ų | 78 | 76.3 Ų | 76.3 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | trans | -68.6 | 127.9 | 173.7 | -24.2 | 0 | 0 | 0 | 0 | 108.5 | V906 D907 K909 L913 | V906-T911 VanDerWaalsContact CA-O 3.31Å; V906-T911 WeakPolarHBondContact CA-O 3.24Å; D907-T911 VanDerWaalsContact CG-OG1 3.23Å; D907-T911 PolarHBondContact N-O 3.35Å; D907-T911 VanDerWaalsContact N-O 3.07Å; D907-T911 PolarHBondContact OD1-N 2.97Å; D907-T911 PolarHBondContact OD1-OG1 3.19Å; D907-T911 VanDerWaalsContact OD1-OG1 3.08Å; D907-T911 WeakPolarHBondContact OD2-CB 3.32Å; D907-T911 PolarHBondContact OD2-OG1 3.04Å; K909-T911 VanDerWaalsContact C-N 3.31Å; T911-L913 PolarHBondContact O-N 2.94Å; T911-L913 VanDerWaalsContact O-N 3.12Å | ||
| 912 | K | 71.2 | Confident | 68.5 | Low | 147 Ų | 147 | 80.2 Ų | 80.2 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | B | Isolated β-bridge | trans | -66.1 | 113.3 | 173.9 | -176.4 | 179.3 | 175.6 | 178.4 | 0 | 108.9 | G910 | G910-K912 PolarHBondContact O-N 2.97Å |
| 913 | L | 68.7 | Low | 68.3 | Low | 41 Ų | 41 | 77.3 Ų | 77.3 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | trans | -83.1 | 170.1 | 172.8 | -65.3 | 179.3 | 0 | 0 | 0 | 110.1 | T880 C905 D907 T911 N917 | T880-L913 HydrophobicContact CG2-CD1 3.78Å; C905-L913 HydrophobicContact CB-CB 4.48Å; C905-L913 PolarHBondContact O-N 2.91Å; D907-L913 HydrophobicContact CB-CD1 3.88Å; D907-L913 HydrophobicContact CB-CD2 4.27Å; D907-L913 HydrophobicContact CB-CG 4.04Å; T911-L913 PolarHBondContact O-N 2.94Å; T911-L913 VanDerWaalsContact O-N 3.12Å; L913-N917 HydrophobicContact CB-CB 4.17Å; L913-N917 HydrophobicContact CD1-CB 3.78Å | ||
| 914 | D | 73.3 | Confident | 68 | Low | 110 Ų | 110 | 79.7 Ų | 79.7 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | trans | -64.1 | 145.7 | 159.2 | -177.3 | 51 | 0 | 0 | 0 | 109.9 | S916 N917 | D914-S916 PolarHBondContact O-N 3.4Å; D914-S916 VanDerWaalsContact O-N 3.13Å; D914-S916 VanDerWaalsContact OD2-CB 3.27Å; D914-S916 WeakPolarHBondContact OD2-CB 3.39Å; D914-S916 PolarHBondContact OD2-N 2.96Å; D914-S916 PolarHBondContact OD2-OG 3.1Å; D914-N917 PolarHBondContact O-N 3.26Å; D914-N917 VanDerWaalsContact O-N 3.09Å | ||
| 915 | D | 67.7 | Low | 67.7 | Low | 38 Ų | 38 | 76.7 Ų | 76.7 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -62.9 | -22.9 | -174.3 | -94 | 14.4 | 0 | 0 | 0 | 112.2 | W882 C905 N917 C918 K923 | W882-D915 HydrophobicContact CH2-CB 3.8Å; W882-D915 HydrophobicContact CZ3-CB 4.2Å; W882-D915 VanDerWaalsContact CZ3-CG 3.44Å; W882-D915 WeakPolarHBondContact CZ3-OD1 3.49Å; C905-D915 PolarHBondContact N-OD1 3.48Å; C905-D915 VanDerWaalsContact N-OD1 3.08Å; D915-N917 PolarHBondContact O-N 3.43Å; D915-C918 PolarHBondContact O-N 3.06Å; D915-C918 VanDerWaalsContact O-O 3.08Å; D915-K923 WeakPolarHBondContact OD2-CE 3.3Å; D915-K923 IonicContact OD2-NZ 3.46Å; D915-K923 PolarHBondContact OD2-NZ 2.78Å |
| 916 | S | 68.4 | Low | 66.6 | Low | 90 Ų | 90 | 80.5 Ų | 80.5 | 63% | 0.629 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -63.7 | -22.1 | 174.9 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | D914 C918 | D914-S916 PolarHBondContact O-N 3.4Å; D914-S916 VanDerWaalsContact O-N 3.13Å; D914-S916 VanDerWaalsContact OD2-CB 3.27Å; D914-S916 WeakPolarHBondContact OD2-CB 3.39Å; D914-S916 PolarHBondContact OD2-N 2.96Å; D914-S916 PolarHBondContact OD2-OG 3.1Å; S916-C918 VanDerWaalsContact C-N 3.29Å; S916-C918 PolarHBondContact O-N 3.32Å |
| 917 | N | 65.1 | Low | 66 | Low | 81 Ų | 81 | 83.7 Ų | 83.7 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -79.9 | -9.4 | 178.1 | -75.3 | 1.4 | 0 | 0 | 0 | 113.4 | T880 L913 D914 D915 | T880-N917 WeakPolarHBondContact CB-O 3.31Å; T880-N917 WeakPolarHBondContact CG2-O 3.48Å; T880-N917 PolarHBondContact OG1-O 2.99Å; L913-N917 HydrophobicContact CB-CB 4.17Å; L913-N917 HydrophobicContact CD1-CB 3.78Å; D914-N917 PolarHBondContact O-N 3.26Å; D914-N917 VanDerWaalsContact O-N 3.09Å; D915-N917 PolarHBondContact O-N 3.43Å |
| 918 | C | 69.8 | Low | 65.3 | Low | 4 Ų | 4 | 85 Ų | 85 | 3% | 0.027 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -109.3 | 135.2 | 170.3 | -70.9 | 0 | 0 | 0 | 0 | 109.4 | Q881 W882 C905 D915 S916 E920 | Q881-C918 VanDerWaalsContact C-SG 3.55Å; Q881-C918 PolarHBondContact O-SG 3.14Å; Q881-C918 VanDerWaalsContact O-SG 3.39Å; W882-C918 HydrophobicContact CD2-CB 3.85Å; W882-C918 HydrophobicContact CE3-CB 4.43Å; W882-C918 HydrophobicContact CG-CB 4.33Å; W882-C918 HydrophobicContact CH2-CB 4.03Å; W882-C918 HydrophobicContact CZ2-CB 3.43Å; W882-C918 VanDerWaalsContact CZ2-CB 3.43Å; W882-C918 WeakPolarHBondContact CZ2-O 3.32Å; C905-C918 VanDerWaalsContact CA-SG 3.54Å; C905-C918 HydrophobicContact CB-CB 3.68Å; C905-C918 WeakPolarHBondContact CB-SG 3Å; C905-C918 WeakPolarHBondContact SG-CB 3.03Å; C905-C918 PolarHBondContact SG-N 2.88Å; C905-C918 VanDerWaalsContact SG-N 3.39Å; C905-C918 CovalentContact SG-SG 2.03Å; C905-C918 PolarHBondContact SG-SG 2.8Å; D915-C918 PolarHBondContact O-N 3.06Å; D915-C918 VanDerWaalsContact O-O 3.08Å; S916-C918 VanDerWaalsContact C-N 3.29Å; S916-C918 PolarHBondContact O-N 3.32Å; C918-E920 PolarHBondContact O-N 3.29Å |
| 919 | S | 63.5 | Low | 64.8 | Low | 51 Ų | 51 | 81.6 Ų | 81.6 | 36% | 0.357 | 44% | 0.442 | S | S | . | . | trans | -60.2 | 116 | 178.6 | -40.3 | 0 | 0 | 0 | 0 | 110.7 | W882 E921 K922 | W882-S919 PolarHBondContact NE1-O 2.72Å; S919-E921 PolarHBondContact O-N 2.96Å; S919-E921 VanDerWaalsContact O-N 3.13Å; S919-K922 WeakPolarHBondContact O-CB 3.48Å; S919-K922 PolarHBondContact O-N 2.89Å | ||
| 920 | E | 58.3 | Low | 64 | Low | 115 Ų | 115 | 79.3 Ų | 79.3 | 54% | 0.537 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -52.2 | -31.7 | 173.9 | -84.3 | -72.7 | 154.3 | 0 | 0 | 112.2 | C918 K922 K923 | C918-E920 PolarHBondContact O-N 3.29Å; E920-K922 PolarHBondContact O-N 2.97Å; E920-K923 VanDerWaalsContact CD-CD 3.43Å; E920-K923 VanDerWaalsContact O-CB 3.25Å; E920-K923 WeakPolarHBondContact O-CB 3.35Å; E920-K923 PolarHBondContact O-N 3.48Å; E920-K923 WeakPolarHBondContact OE1-CD 3.45Å; E920-K923 IonicContact OE1-NZ 2.67Å; E920-K923 PolarHBondContact OE1-NZ 2.76Å; E920-K923 WeakPolarHBondContact OE2-CD 3.48Å; E920-K923 IonicContact OE2-NZ 2.88Å |
| 921 | E | 54.2 | Low | 63.5 | Low | 186 Ų | 186 | 82 Ų | 82 | 87% | 0.869 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -48.2 | -26.6 | 169.7 | -61.9 | 165.7 | -155.4 | 0 | 0 | 114.6 | S919 | S919-E921 PolarHBondContact O-N 2.96Å; S919-E921 VanDerWaalsContact O-N 3.13Å |
| 922 | K | 62.8 | Low | 61.8 | Low | 136 Ų | 136 | 84.8 Ų | 84.8 | 59% | 0.591 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -103.7 | 2.1 | -179 | -62.6 | 173.6 | -176 | 163.7 | 0 | 113 | Y884 S919 E920 V924 | Y884-K922 PolarHBondContact OH-O 2.91Å; S919-K922 WeakPolarHBondContact O-CB 3.48Å; S919-K922 PolarHBondContact O-N 2.89Å; E920-K922 PolarHBondContact O-N 2.97Å; K922-V924 PolarHBondContact O-N 3.18Å |
| 923 | K | 68.5 | Low | 60.5 | Low | 51 Ų | 51 | 78.6 Ų | 78.6 | 22% | 0.222 | 41% | 0.413 | C | S | . | . | trans | -89.5 | 87.3 | -173.9 | -166.1 | -175.6 | -161.9 | 167.5 | 0 | 112.1 | W882 A903 D915 E920 A925 | W882-K923 HydrophobicContact CD2-CB 4.07Å; W882-K923 HydrophobicContact CD2-CG 3.94Å; W882-K923 HydrophobicContact CE3-CD 4.33Å; W882-K923 HydrophobicContact CE3-CG 3.92Å; W882-K923 HydrophobicContact CH2-CB 4.32Å; W882-K923 HydrophobicContact CH2-CD 3.47Å; W882-K923 VanDerWaalsContact CH2-CD 3.47Å; W882-K923 HydrophobicContact CH2-CG 3.89Å; W882-K923 HydrophobicContact CZ2-CB 3.75Å; W882-K923 HydrophobicContact CZ2-CD 3.72Å; W882-K923 HydrophobicContact CZ2-CG 3.84Å; W882-K923 HydrophobicContact CZ3-CD 3.79Å; W882-K923 HydrophobicContact CZ3-CG 3.91Å; A903-K923 HydrophobicContact CB-CG 4.18Å; D915-K923 WeakPolarHBondContact OD2-CE 3.3Å; D915-K923 IonicContact OD2-NZ 3.46Å; D915-K923 PolarHBondContact OD2-NZ 2.78Å; E920-K923 VanDerWaalsContact CD-CD 3.43Å; E920-K923 VanDerWaalsContact O-CB 3.25Å; E920-K923 WeakPolarHBondContact O-CB 3.35Å; E920-K923 PolarHBondContact O-N 3.48Å; E920-K923 WeakPolarHBondContact OE1-CD 3.45Å; E920-K923 IonicContact OE1-NZ 2.67Å; E920-K923 PolarHBondContact OE1-NZ 2.76Å; E920-K923 WeakPolarHBondContact OE2-CD 3.48Å; E920-K923 IonicContact OE2-NZ 2.88Å; K923-A925 VanDerWaalsContact C-N 3.33Å; K923-A925 PolarHBondContact O-N 3.27Å | ||
| 924 | V | 67.7 | Low | 59.5 | Low | 71 Ų | 71 | 79 Ų | 79 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | trans | -86.8 | 71.4 | -176.5 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | Y884 W887 R901 K922 | Y884-V924 HydrophobicContact CE1-CB 4.31Å; Y884-V924 VanDerWaalsContact CE1-O 3.31Å; Y884-V924 WeakPolarHBondContact CE1-O 3.16Å; Y884-V924 PolarHBondContact OH-N 3.47Å; W887-V924 HydrophobicContact CH2-CG1 4.13Å; W887-V924 HydrophobicContact CZ2-CG1 4.14Å; R901-V924 VanDerWaalsContact CZ-O 3.3Å; R901-V924 PolarHBondContact NE-O 2.8Å; R901-V924 PolarHBondContact NH2-O 3.13Å; K922-V924 PolarHBondContact O-N 3.18Å | ||
| 925 | A | 66.9 | Low | 58.7 | Low | 28 Ų | 28 | 78.7 Ų | 78.7 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | trans | -92.6 | -24.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | T900 R901 A903 K923 | T900-A925 CarbonylContact C-O 3.45Å; T900-A925 WeakPolarHBondContact CA-O 3.25Å; R901-A925 PolarHBondContact N-O 3.03Å; A903-A925 HydrophobicContact CB-CB 4.26Å; K923-A925 VanDerWaalsContact C-N 3.33Å; K923-A925 PolarHBondContact O-N 3.27Å | ||
| 926 | S | 57.7 | Low | 58.7 | Low | 80 Ų | 80 | 78.9 Ų | 78.9 | 56% | 0.559 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.4 | 172.9 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | S899 | S899-S926 WeakPolarHBondContact O-CA 3.2Å |
| 927 | Q | 60.9 | Low | 58.6 | Low | 82 Ų | 82 | 80.2 Ų | 80.2 | 38% | 0.383 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.5 | 173.1 | 68.2 | -173.8 | -18.2 | 0 | 0 | 110 | W887 I898 S899 C929 | W887-Q927 HydrophobicContact CD2-CG 4.45Å; W887-Q927 VanDerWaalsContact CD2-NE2 3.27Å; W887-Q927 HydrophobicContact CE3-CG 3.95Å; W887-Q927 HydrophobicContact CH2-CB 3.69Å; W887-Q927 HydrophobicContact CH2-CG 3.69Å; W887-Q927 HydrophobicContact CZ2-CB 4.31Å; W887-Q927 HydrophobicContact CZ2-CG 4.18Å; W887-Q927 HydrophobicContact CZ3-CB 3.96Å; W887-Q927 HydrophobicContact CZ3-CG 3.55Å; I898-Q927 WeakPolarHBondContact CA-O 3.22Å; S899-Q927 PolarHBondContact N-O 2.94Å; S899-Q927 PolarHBondContact O-N 2.82Å; S899-Q927 PolarHBondContact OG-NE2 2.73Å; Q927-C929 PolarHBondContact O-N 2.99Å |
| 928 | V | 57.2 | Low | 59 | Low | 66 Ų | 66 | 78 Ų | 78 | 40% | 0.4 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 112.1 | 176.6 | -169.5 | 0 | 0 | 0 | 0 | 107.8 | D896 G897 R930 | D896-V928 HydrophobicContact CB-CG1 3.58Å; G897-V928 CarbonylContact O-C 3.57Å; G897-V928 WeakPolarHBondContact O-CA 3.39Å; G897-V928 WeakPolarHBondContact O-CG1 3.45Å; V928-R930 HydrophobicContact CB-CG 4.16Å; V928-R930 HydrophobicContact CG1-CG 3.63Å; V928-R930 PolarHBondContact O-N 3.1Å |
| 929 | C | 56.5 | Low | 59 | Low | 22 Ų | 22 | 82.1 Ų | 82.1 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 99.6 | 178 | 70.8 | 0 | 0 | 0 | 0 | 108.9 | C890 G897 I898 Q927 | C890-C929 WeakPolarHBondContact CA-SG 3.3Å; C890-C929 HydrophobicContact CB-CB 3.7Å; C890-C929 WeakPolarHBondContact CB-SG 3.36Å; C890-C929 WeakPolarHBondContact SG-CB 3.13Å; C890-C929 CovalentContact SG-SG 2.03Å; C890-C929 PolarHBondContact SG-SG 3.24Å; G897-C929 CarbonylContact C-O 3.35Å; G897-C929 WeakPolarHBondContact CA-O 3.29Å; G897-C929 PolarHBondContact N-O 3.07Å; G897-C929 PolarHBondContact O-N 3.25Å; I898-C929 PolarHBondContact N-SG 2.99Å; Q927-C929 PolarHBondContact O-N 2.99Å |
| 930 | R | 50.1 | Low | 59.1 | Low | 136 Ų | 136 | 83.8 Ų | 83.8 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 99.6 | -167.1 | -64.9 | -173.1 | 147.9 | 141.7 | 3.5 | 112 | D896 V928 S933 | D896-R930 WeakPolarHBondContact OD1-CD 3.39Å; D896-R930 VanDerWaalsContact OD1-CG 3.29Å; D896-R930 WeakPolarHBondContact OD1-CG 3.34Å; D896-R930 IonicContact OD1-CZ 2.72Å; D896-R930 IonicContact OD1-NE 3.64Å; D896-R930 PolarHBondContact OD1-NE 2.86Å; D896-R930 IonicContact OD2-CZ 2.76Å; D896-R930 VanDerWaalsContact OD2-CZ 3.24Å; D896-R930 IonicContact OD2-NE 3.42Å; D896-R930 PolarHBondContact OD2-NE 2.88Å; D896-R930 IonicContact OD2-NH2 3.35Å; D896-R930 PolarHBondContact OD2-NH2 2.96Å; V928-R930 HydrophobicContact CB-CG 4.16Å; V928-R930 HydrophobicContact CG1-CG 3.63Å; V928-R930 PolarHBondContact O-N 3.1Å; R930-S933 WeakPolarHBondContact CD-OG 3.03Å; R930-S933 PolarHBondContact NE-OG 2.02Å |
| 931 | H | 49.5 | Very low | 59.6 | Low | 109 Ų | 109 | 79.8 Ų | 79.8 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.2 | 149.6 | -83.8 | -83.3 | 0 | 0 | 0 | 108.3 | K892 T893 C894 G895 S933 | K892-H931 PolarHBondContact O-CD2 2.94Å; K892-H931 VanDerWaalsContact O-CD2 3.32Å; T893-H931 WeakPolarHBondContact O-CB 3.35Å; C894-H931 CarbonylContact C-O 3.48Å; C894-H931 WeakPolarHBondContact CA-O 3.05Å; G895-H931 CarbonylContact C-O 3.5Å; G895-H931 PolarHBondContact N-O 3.34Å; H931-S933 PolarHBondContact O-N 3.47Å |
| 932 | L | 39.2 | Very low | 60.6 | Low | 136 Ų | 136 | 79.5 Ų | 79.5 | 71% | 0.712 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 18.4 | 85 | 176.7 | -116.4 | 74.1 | 0 | 0 | 0 | 115.4 | C894 G895 A934 | C894-L932 HydrophobicContact CB-CB 4.46Å; G895-L932 PolarHBondContact N-O 3.26Å; L932-A934 PolarHBondContact O-N 2.98Å |
| 933 | S | 45.4 | Very low | 60.7 | Low | 18 Ų | 18 | 76.6 Ų | 76.6 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | trans | -59.8 | -30.6 | -160.7 | -68.9 | 0 | 0 | 0 | 0 | 117.4 | G895 D896 R930 H931 N965 | G895-S933 WeakPolarHBondContact CA-O 3.15Å; D896-S933 WeakPolarHBondContact OD1-CB 3.2Å; D896-S933 PolarHBondContact OD1-OG 3.44Å; R930-S933 WeakPolarHBondContact CD-OG 3.03Å; R930-S933 PolarHBondContact NE-OG 2.02Å; H931-S933 PolarHBondContact O-N 3.47Å; S933-N965 WeakPolarHBondContact CB-ND2 3.04Å; S933-N965 PolarHBondContact OG-ND2 2.94Å | ||
| 934 | A | 47.3 | Very low | 60.5 | Low | 48 Ų | 48 | 76.4 Ų | 76.4 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -154.3 | 164.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L932 | L932-A934 PolarHBondContact O-N 2.98Š|
| 935 | C | 55.2 | Low | 60.2 | Low | 105 Ų | 105 | 78.2 Ų | 78.2 | 71% | 0.709 | 43% | 0.43 | S | S | * | . | trans | -64.5 | 140.6 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 936 | P | 68.2 | Low | 60.1 | Low | 41 Ų | 41 | 78.3 Ų | 78.3 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | trans | -57.2 | 139.7 | -179.7 | -26.7 | 35.1 | 0 | 0 | 0 | 114.2 | V962 L969 Y973 | P936-V962 CarbonylContact C-O 3.56Å; P936-V962 VanDerWaalsContact CA-O 3.23Å; P936-V962 WeakPolarHBondContact CA-O 3.26Å; P936-L969 HydrophobicContact CB-CD1 3.72Å; P936-L969 HydrophobicContact CG-CD1 3.62Å; P936-Y973 WeakPolarHBondContact CB-O 3.25Å | ||
| 937 | Q | 66.5 | Low | 60.3 | Low | 118 Ų | 118 | 78.4 Ų | 78.4 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 163 | 175.1 | -66.5 | -160.8 | 5.3 | 0 | 0 | 113.3 | K939 V962 | Q937-K939 PolarHBondContact O-N 3.14Å; Q937-V962 PolarHBondContact N-O 2.79Å; Q937-V962 PolarHBondContact O-N 2.63Å |
| 938 | W | 73.5 | Confident | 59.8 | Low | 35 Ų | 35 | 78.8 Ų | 78.8 | 13% | 0.133 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 106.2 | 176.5 | -67.9 | 103.2 | 0 | 0 | 0 | 112.2 | I959 Q960 C961 P971 C974 R981 P982 | W938-I959 HydrophobicContact CE3-CG2 3.81Å; W938-I959 HydrophobicContact CZ3-CG2 4.46Å; W938-Q960 CarbonylContact C-O 3.59Å; W938-C961 HydrophobicContact CE3-CB 4.15Å; W938-C961 HydrophobicContact CH2-CB 4.37Å; W938-C961 HydrophobicContact CZ3-CB 3.97Å; W938-P971 HydrophobicContact CH2-CB 4.16Å; W938-C974 HydrophobicContact CD2-CB 4.04Å; W938-C974 HydrophobicContact CG-CB 4.38Å; W938-C974 HydrophobicContact CH2-CB 4.5Å; W938-C974 HydrophobicContact CZ2-CB 3.79Å; W938-C974 PolarHBondContact NE1-O 2.91Å; W938-R981 HydrophobicContact CE3-CG 4.38Å; W938-R981 HydrophobicContact CH2-CB 4.45Å; W938-R981 HydrophobicContact CH2-CG 3.88Å; W938-R981 HydrophobicContact CZ2-CB 4.14Å; W938-R981 HydrophobicContact CZ2-CG 4.05Å; W938-R981 HydrophobicContact CZ3-CG 4.06Å; W938-P982 HydrophobicContact CB-CG 4.4Å |
| 939 | K | 69.2 | Low | 60 | Low | 90 Ų | 90 | 81.6 Ų | 81.6 | 39% | 0.391 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.4 | 171.3 | -167.9 | 167.4 | -161.5 | 163.7 | 0 | 111.7 | Q937 I959 Q960 V962 D966 | Q937-K939 PolarHBondContact O-N 3.14Å; K939-I959 WeakPolarHBondContact O-CA 3.06Å; K939-I959 WeakPolarHBondContact O-CG2 3.3Å; K939-Q960 PolarHBondContact N-O 3.44Å; K939-Q960 PolarHBondContact O-N 3.08Å; K939-Q960 VanDerWaalsContact O-N 3.14Å; K939-V962 HydrophobicContact CB-CG1 4.22Å; K939-V962 HydrophobicContact CB-CG2 3.82Å; K939-D966 WeakPolarHBondContact CD-OD1 3.36Å; K939-D966 WeakPolarHBondContact CE-OD1 3.22Å; K939-D966 IonicContact NZ-OD1 3.34Å; K939-D966 PolarHBondContact NZ-OD1 2.67Å; K939-D966 IonicContact NZ-OD2 2.68Å; K939-D966 PolarHBondContact NZ-OD2 2.71Å |
| 940 | L | 66.1 | Low | 60.3 | Low | 87 Ų | 87 | 81.4 Ų | 81.4 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.1 | 176.8 | -65 | 168 | 0 | 0 | 0 | 109.5 | P982 | L940-P982 HydrophobicContact CD2-CB 3.55Å; L940-P982 HydrophobicContact CD2-CG 3.71Å |
| 941 | G | 68.1 | Low | 60.3 | Low | 31 Ų | 31 | 78.8 Ų | 78.8 | 32% | 0.32 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 163.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R957 R958 | G941-R957 WeakPolarHBondContact O-CD 3.24Å; G941-R958 WeakPolarHBondContact CA-O 3.4Å; G941-R958 PolarHBondContact N-O 2.81Å |
| 942 | E | 77.2 | Confident | 60.4 | Low | 180 Ų | 180 | 78.4 Ų | 78.4 | 84% | 0.841 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 153.1 | 171.7 | -66 | -158.3 | 148.5 | 0 | 0 | 111.9 | R957 | E942-R957 WeakPolarHBondContact O-CB 3.04Š|
| 943 | W | 63.3 | Low | 61 | Low | 74 Ų | 74 | 72 Ų | 72 | 28% | 0.28 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -72 | 129.6 | 168.1 | -70.2 | 110.6 | 0 | 0 | 0 | 109.9 | K955 T956 R957 T984 Q986 | W943-K955 HydrophobicContact CB-CB 4.36Å; W943-K955 HydrophobicContact CB-CD 3.93Å; W943-K955 HydrophobicContact CB-CG 4.49Å; W943-K955 HydrophobicContact CD2-CD 3.87Å; W943-K955 HydrophobicContact CD2-CG 4.04Å; W943-K955 HydrophobicContact CE3-CB 4.07Å; W943-K955 HydrophobicContact CE3-CD 4.11Å; W943-K955 HydrophobicContact CE3-CG 3.74Å; W943-K955 HydrophobicContact CG-CD 3.8Å; W943-K955 HydrophobicContact CG-CG 4.39Å; W943-K955 HydrophobicContact CZ3-CG 4.31Å; W943-K955 VanDerWaalsContact CZ3-O 3.29Å; W943-K955 WeakPolarHBondContact CZ3-O 3.38Å; W943-T956 CarbonylContact C-O 3.46Å; W943-T956 WeakPolarHBondContact CA-O 3.36Å; W943-R957 HydrophobicContact CD2-CB 4.29Å; W943-R957 HydrophobicContact CD2-CG 4.24Å; W943-R957 HydrophobicContact CE3-CB 3.88Å; W943-R957 HydrophobicContact CE3-CG 3.82Å; W943-R957 HydrophobicContact CH2-CG 4.01Å; W943-R957 HydrophobicContact CZ2-CG 4.41Å; W943-R957 VanDerWaalsContact CZ2-CZ 3.49Å; W943-R957 HydrophobicContact CZ3-CB 4.22Å; W943-R957 HydrophobicContact CZ3-CG 3.7Å; W943-T984 WeakPolarHBondContact CZ3-O 3.25Å; W943-Q986 HydrophobicContact CH2-CB 3.51Å; W943-Q986 HydrophobicContact CZ2-CB 3.89Å; W943-Q986 HydrophobicContact CZ3-CB 3.9Å |
| 944 | S | 64.7 | Low | 61.4 | Low | 48 Ų | 48 | 76.4 Ų | 76.4 | 34% | 0.336 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 156.2 | 162.5 | 77.7 | 0 | 0 | 0 | 0 | 110.4 | C946 K955 T956 | S944-C946 PolarHBondContact O-N 2.84Å; S944-K955 VanDerWaalsContact O-CB 3.3Å; S944-K955 WeakPolarHBondContact O-CB 3.46Å; S944-T956 PolarHBondContact N-O 3.48Å; S944-T956 PolarHBondContact OG-N 3.29Å; S944-T956 PolarHBondContact OG-OG1 2.04Å |
| 945 | S | 61.9 | Low | 62.1 | Low | 109 Ų | 109 | 76.2 Ų | 76.2 | 76% | 0.762 | 41% | 0.412 | S | S | * | . | trans | -45.2 | 144 | 157.3 | -53 | 0 | 0 | 0 | 0 | 110 | S947 | S945-S947 PolarHBondContact O-N 3.04Š| ||
| 946 | C | 64.6 | Low | 61.9 | Low | 29 Ų | 29 | 74 Ų | 74 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | trans | -55 | 132.4 | 173.6 | -168.8 | 0 | 0 | 0 | 0 | 108.8 | S944 R948 C988 L990 | S944-C946 PolarHBondContact O-N 2.84Å; C946-R948 CarbonylContact C-O 3.5Å; C946-R948 WeakPolarHBondContact CB-O 3.24Å; C946-R948 CarbonylContact O-C 3.54Å; C946-R948 PolarHBondContact O-N 2.94Å; C946-R948 PolarHBondContact SG-O 3.22Å; C946-C988 VanDerWaalsContact CA-SG 3.59Å; C946-C988 HydrophobicContact CB-CB 4.01Å; C946-C988 WeakPolarHBondContact CB-SG 3.47Å; C946-C988 WeakPolarHBondContact SG-CB 3.06Å; C946-C988 PolarHBondContact SG-O 2.85Å; C946-C988 CovalentContact SG-SG 2.04Å; C946-C988 PolarHBondContact SG-SG 3.42Å; C946-L990 HydrophobicContact CB-CD1 3.87Å | ||
| 947 | S | 61.8 | Low | 61.5 | Low | 83 Ų | 83 | 74.1 Ų | 74.1 | 58% | 0.58 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -63.9 | -7.2 | -173.2 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | S945 W954 | S945-S947 PolarHBondContact O-N 3.04Å; S947-W954 WeakPolarHBondContact CB-O 2.99Å; S947-W954 PolarHBondContact N-O 3.11Å; S947-W954 PolarHBondContact OG-N 3.09Å; S947-W954 PolarHBondContact OG-O 3.28Å; S947-W954 VanDerWaalsContact OG-O 3.12Å |
| 948 | R | 49.7 | Very low | 61.4 | Low | 89 Ų | 89 | 75.1 Ų | 75.1 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -132.1 | 150 | 164.9 | -41.5 | -154.7 | 83.2 | -143.7 | -0.2 | 108.4 | C946 C950 L990 | C946-R948 CarbonylContact C-O 3.5Å; C946-R948 WeakPolarHBondContact CB-O 3.24Å; C946-R948 CarbonylContact O-C 3.54Å; C946-R948 PolarHBondContact O-N 2.94Å; C946-R948 PolarHBondContact SG-O 3.22Å; R948-C950 VanDerWaalsContact C-N 3.31Å; R948-C950 WeakPolarHBondContact CB-O 3.41Å; R948-L990 WeakPolarHBondContact O-CD1 3.4Å |
| 949 | T | 62.7 | Low | 61.1 | Low | 125 Ų | 125 | 74.3 Ų | 74.3 | 77% | 0.767 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -82.7 | -8.7 | 175.1 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | L990 | T949-L990 WeakPolarHBondContact O-CD1 3.09Š|
| 950 | C | 63.2 | Low | 60.9 | Low | 19 Ų | 19 | 72.3 Ų | 72.3 | 13% | 0.128 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -157.6 | 163.5 | 179.2 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | R948 C993 | R948-C950 VanDerWaalsContact C-N 3.31Å; R948-C950 WeakPolarHBondContact CB-O 3.41Å; C950-C993 HydrophobicContact CB-CB 3.73Å; C950-C993 WeakPolarHBondContact CB-SG 2.98Å; C950-C993 VanDerWaalsContact SG-CA 3.56Å; C950-C993 WeakPolarHBondContact SG-CB 3.39Å; C950-C993 CovalentContact SG-SG 2.03Å; C950-C993 PolarHBondContact SG-SG 3.09Å |
| 951 | L | 48.2 | Very low | 61.3 | Low | 81 Ų | 81 | 68.3 Ų | 68.3 | 42% | 0.424 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 57.8 | -162 | -168.1 | -60.1 | 171.4 | 0 | 0 | 0 | 112.2 | G953 L990 G991 | L951-G953 PolarHBondContact O-N 3.4Å; L951-L990 PolarHBondContact O-N 3.27Å; L951-G991 WeakPolarHBondContact CA-O 3.35Å; L951-G991 PolarHBondContact N-O 3.45Å |
| 952 | D | 52.5 | Low | 61.3 | Low | 100 Ų | 100 | 67.2 Ų | 67.2 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.6 | 179 | -58 | -10.1 | 0 | 0 | 0 | 110 | N989 | D952-N989 PolarHBondContact OD1-ND2 2.92Å |
| 953 | G | 51.3 | Low | 60.7 | Low | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | -175.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L951 P987 C988 | L951-G953 PolarHBondContact O-N 3.4Å; G953-P987 WeakPolarHBondContact O-CA 3.47Å; G953-C988 PolarHBondContact N-O 2.89Å; G953-C988 PolarHBondContact O-N 3.18Å; G953-C988 PolarHBondContact O-SG 3.01Å; G953-C988 VanDerWaalsContact O-SG 3.42Å |
| 954 | W | 53.9 | Low | 60.5 | Low | 110 Ų | 110 | 58.4 Ų | 58.4 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132 | 178.1 | -63.8 | 87 | 0 | 0 | 0 | 109.4 | H220 S947 H985 P987 C988 | H220-W954 AromaticContact CD2-CH2 3.97Å; H220-W954 AromaticContact NE2-CH2 3.93Å; H220-W954 AromaticContact NE2-CZ3 3.92Å; S947-W954 WeakPolarHBondContact CB-O 2.99Å; S947-W954 PolarHBondContact N-O 3.11Å; S947-W954 PolarHBondContact OG-N 3.09Å; S947-W954 PolarHBondContact OG-O 3.28Å; S947-W954 VanDerWaalsContact OG-O 3.12Å; W954-H985 HydrophobicContact CE3-CB 4.39Å; W954-P987 HydrophobicContact CE3-CB 4.28Å; W954-P987 HydrophobicContact CH2-CB 4.29Å; W954-P987 HydrophobicContact CZ3-CB 4.09Å; W954-P987 HydrophobicContact CZ3-CG 4.37Å; W954-C988 VanDerWaalsContact C-SG 3.52Å |
| 955 | K | 62.3 | Low | 60.5 | Low | 45 Ų | 45 | 59.5 Ų | 59.5 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.8 | 163.7 | 53.5 | 177.6 | -169.6 | 155.1 | 0 | 108.7 | W943 S944 Q986 C988 | W943-K955 HydrophobicContact CB-CB 4.36Å; W943-K955 HydrophobicContact CB-CD 3.93Å; W943-K955 HydrophobicContact CB-CG 4.49Å; W943-K955 HydrophobicContact CD2-CD 3.87Å; W943-K955 HydrophobicContact CD2-CG 4.04Å; W943-K955 HydrophobicContact CE3-CB 4.07Å; W943-K955 HydrophobicContact CE3-CD 4.11Å; W943-K955 HydrophobicContact CE3-CG 3.74Å; W943-K955 HydrophobicContact CG-CD 3.8Å; W943-K955 HydrophobicContact CG-CG 4.39Å; W943-K955 HydrophobicContact CZ3-CG 4.31Å; W943-K955 VanDerWaalsContact CZ3-O 3.29Å; W943-K955 WeakPolarHBondContact CZ3-O 3.38Å; S944-K955 VanDerWaalsContact O-CB 3.3Å; S944-K955 WeakPolarHBondContact O-CB 3.46Å; K955-Q986 HydrophobicContact CG-CB 4.16Å; K955-Q986 WeakPolarHBondContact CG-O 3.38Å; K955-Q986 PolarHBondContact N-O 3.37Å; K955-Q986 PolarHBondContact O-N 2.03Å; K955-Q986 VanDerWaalsContact O-N 3.09Å; K955-C988 PolarHBondContact N-SG 2.94Å; K955-C988 VanDerWaalsContact N-SG 3.44Å |
| 956 | T | 51.8 | Low | 60.1 | Low | 58 Ų | 58 | 58.4 Ų | 58.4 | 36% | 0.356 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 150.1 | -173.8 | 74.7 | 0 | 0 | 0 | 0 | 109 | W943 S944 T984 H985 | W943-T956 CarbonylContact C-O 3.46Å; W943-T956 WeakPolarHBondContact CA-O 3.36Å; S944-T956 PolarHBondContact N-O 3.48Å; S944-T956 PolarHBondContact OG-N 3.29Å; S944-T956 PolarHBondContact OG-OG1 2.04Å; T956-T984 CarbonylContact C-O 3.59Å; T956-T984 WeakPolarHBondContact CA-O 3.29Å; T956-H985 WeakPolarHBondContact CG2-NE2 3.47Å |
| 957 | R | 59.7 | Low | 59.8 | Low | 44 Ų | 44 | 64 Ų | 64 | 17% | 0.166 | 33% | 0.33 | C | S | . | . | trans | -143.6 | 145.1 | 171.8 | 65.2 | 179.9 | 174.7 | 178.8 | -0.5 | 111.4 | G941 E942 W943 P983 T984 | G941-R957 WeakPolarHBondContact O-CD 3.24Å; E942-R957 WeakPolarHBondContact O-CB 3.04Å; W943-R957 HydrophobicContact CD2-CB 4.29Å; W943-R957 HydrophobicContact CD2-CG 4.24Å; W943-R957 HydrophobicContact CE3-CB 3.88Å; W943-R957 HydrophobicContact CE3-CG 3.82Å; W943-R957 HydrophobicContact CH2-CG 4.01Å; W943-R957 HydrophobicContact CZ2-CG 4.41Å; W943-R957 VanDerWaalsContact CZ2-CZ 3.49Å; W943-R957 HydrophobicContact CZ3-CB 4.22Å; W943-R957 HydrophobicContact CZ3-CG 3.7Å; R957-P983 PolarHBondContact NE-O 2.91Å; R957-P983 PolarHBondContact NH2-O 2.76Å; R957-T984 PolarHBondContact N-O 2.69Å | ||
| 958 | R | 62.9 | Low | 59.7 | Low | 138 Ų | 138 | 65.3 Ų | 65.3 | 52% | 0.521 | 33% | 0.327 | S | S | . | . | trans | -72.7 | 147.6 | 170.2 | -160.1 | 173.9 | -168.3 | -124.7 | -8.9 | 109.5 | G941 Q960 E968 | G941-R958 WeakPolarHBondContact CA-O 3.4Å; G941-R958 PolarHBondContact N-O 2.81Å; R958-Q960 HydrophobicContact CG-CG 4.44Å; R958-Q960 VanDerWaalsContact NH1-NE2 3.13Å; R958-E968 IonicContact CZ-OE1 2.88Å; R958-E968 IonicContact CZ-OE2 2.89Å; R958-E968 IonicContact NH1-OE2 3.41Å; R958-E968 PolarHBondContact NH1-OE2 2.9Å; R958-E968 IonicContact NH2-OE1 2.65Å; R958-E968 PolarHBondContact NH2-OE1 3.47Å; R958-E968 IonicContact NH2-OE2 3.53Å; R958-E968 PolarHBondContact NH2-OE2 3.46Å | ||
| 959 | I | 67.8 | Low | 60.3 | Low | 18 Ų | 18 | 63.4 Ų | 63.4 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.9 | 169.5 | -50.7 | 174 | 0 | 0 | 0 | 106.5 | W938 K939 P982 T984 | W938-I959 HydrophobicContact CE3-CG2 3.81Å; W938-I959 HydrophobicContact CZ3-CG2 4.46Å; K939-I959 WeakPolarHBondContact O-CA 3.06Å; K939-I959 WeakPolarHBondContact O-CG2 3.3Å; I959-P982 HydrophobicContact CD1-CB 4.06Å; I959-P982 WeakPolarHBondContact CD1-O 3.48Å; I959-T984 HydrophobicContact CD1-CG2 3.57Å; I959-T984 HydrophobicContact CG1-CG2 3.95Å |
| 960 | Q | 66.1 | Low | 60.3 | Low | 48 Ų | 48 | 61 Ų | 61 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.9 | 177.3 | -69 | 164.7 | -112.4 | 0 | 0 | 108.4 | W938 K939 R958 V962 E968 | W938-Q960 CarbonylContact C-O 3.59Å; K939-Q960 PolarHBondContact N-O 3.44Å; K939-Q960 PolarHBondContact O-N 3.08Å; K939-Q960 VanDerWaalsContact O-N 3.14Å; R958-Q960 HydrophobicContact CG-CG 4.44Å; R958-Q960 VanDerWaalsContact NH1-NE2 3.13Å; Q960-V962 HydrophobicContact CB-CG1 3.66Å; Q960-E968 HydrophobicContact CB-CG 4.25Å; Q960-E968 HydrophobicContact CG-CG 4.09Å; Q960-E968 PolarHBondContact NE2-OE2 3.23Å |
| 961 | C | 73.3 | Confident | 60.2 | Low | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.5 | 155.8 | 174.7 | 0 | 0 | 0 | 0 | 105.5 | W938 E968 L969 C974 | W938-C961 HydrophobicContact CE3-CB 4.15Å; W938-C961 HydrophobicContact CH2-CB 4.37Å; W938-C961 HydrophobicContact CZ3-CB 3.97Å; C961-E968 CarbonylContact O-C 3.57Å; C961-E968 WeakPolarHBondContact O-CA 3.4Å; C961-L969 PolarHBondContact O-N 3.35Å; C961-C974 WeakPolarHBondContact CA-SG 3.01Å; C961-C974 HydrophobicContact CB-CB 3.83Å; C961-C974 WeakPolarHBondContact CB-SG 3.46Å; C961-C974 WeakPolarHBondContact SG-CB 3.04Å; C961-C974 PolarHBondContact SG-N 3.07Å; C961-C974 VanDerWaalsContact SG-N 3.44Å; C961-C974 CovalentContact SG-SG 2.03Å; C961-C974 PolarHBondContact SG-SG 3.07Å |
| 962 | V | 68 | Low | 60.9 | Low | 8 Ų | 8 | 65.1 Ų | 65.1 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.8 | -178.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | P936 Q937 K939 Q960 D966 E967 | P936-V962 CarbonylContact C-O 3.56Å; P936-V962 VanDerWaalsContact CA-O 3.23Å; P936-V962 WeakPolarHBondContact CA-O 3.26Å; Q937-V962 PolarHBondContact N-O 2.79Å; Q937-V962 PolarHBondContact O-N 2.63Å; K939-V962 HydrophobicContact CB-CG1 4.22Å; K939-V962 HydrophobicContact CB-CG2 3.82Å; Q960-V962 HydrophobicContact CB-CG1 3.66Å; V962-D966 WeakPolarHBondContact CG1-O 3.4Å; V962-E967 VanDerWaalsContact CA-O 3.23Å; V962-E967 WeakPolarHBondContact CA-O 3.03Å |
| 963 | D | 64 | Low | 61.5 | Low | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | trans | -78.2 | -172.4 | 164.3 | 87.9 | -39.3 | 0 | 0 | 0 | 111.2 | N965 D966 E967 L969 | D963-N965 VanDerWaalsContact CG-N 3.31Å; D963-N965 PolarHBondContact O-N 3.27Å; D963-N965 VanDerWaalsContact O-N 3.12Å; D963-N965 WeakPolarHBondContact OD1-CA 3.48Å; D963-N965 WeakPolarHBondContact OD1-CB 3.42Å; D963-N965 PolarHBondContact OD1-N 3.02Å; D963-N965 PolarHBondContact OD2-N 2.95Å; D963-N965 PolarHBondContact OD2-ND2 2.64Å; D963-D966 PolarHBondContact O-N 3.42Å; D963-D966 PolarHBondContact OD1-N 2.78Å; D963-E967 PolarHBondContact N-O 2.77Å; D963-E967 PolarHBondContact OD1-N 3.44Å; D963-L969 HydrophobicContact CB-CD1 3.79Å; D963-L969 HydrophobicContact CB-CG 4.13Å | ||
| 964 | G | 60.4 | Low | 62.2 | Low | 41 Ų | 41 | 66.7 Ų | 66.7 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -6.9 | 174 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 965 | N | 63.5 | Low | 62.2 | Low | 71 Ų | 71 | 66 Ų | 66 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 14.4 | -177.6 | -58.5 | -76.1 | 0 | 0 | 0 | 112.5 | S933 D963 E967 | S933-N965 WeakPolarHBondContact CB-ND2 3.04Å; S933-N965 PolarHBondContact OG-ND2 2.94Å; D963-N965 VanDerWaalsContact CG-N 3.31Å; D963-N965 PolarHBondContact O-N 3.27Å; D963-N965 VanDerWaalsContact O-N 3.12Å; D963-N965 WeakPolarHBondContact OD1-CA 3.48Å; D963-N965 WeakPolarHBondContact OD1-CB 3.42Å; D963-N965 PolarHBondContact OD1-N 3.02Å; D963-N965 PolarHBondContact OD2-N 2.95Å; D963-N965 PolarHBondContact OD2-ND2 2.64Å; N965-E967 PolarHBondContact O-N 2.97Å |
| 966 | D | 53.8 | Low | 61.8 | Low | 86 Ų | 86 | 68.3 Ų | 68.3 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | trans | 62.9 | 11.1 | -172.2 | -68.3 | -42.2 | 0 | 0 | 0 | 115.4 | K939 V962 D963 | K939-D966 WeakPolarHBondContact CD-OD1 3.36Å; K939-D966 WeakPolarHBondContact CE-OD1 3.22Å; K939-D966 IonicContact NZ-OD1 3.34Å; K939-D966 PolarHBondContact NZ-OD1 2.67Å; K939-D966 IonicContact NZ-OD2 2.68Å; K939-D966 PolarHBondContact NZ-OD2 2.71Å; V962-D966 WeakPolarHBondContact CG1-O 3.4Å; D963-D966 PolarHBondContact O-N 3.42Å; D963-D966 PolarHBondContact OD1-N 2.78Å | ||
| 967 | E | 58.6 | Low | 61.6 | Low | 146 Ų | 146 | 72 Ų | 72 | 68% | 0.682 | 37% | 0.372 | S | S | * | . | trans | -75.4 | 134.1 | 177.5 | -71.4 | -143.6 | 137.6 | 0 | 0 | 111.5 | V962 D963 N965 L969 | V962-E967 VanDerWaalsContact CA-O 3.23Å; V962-E967 WeakPolarHBondContact CA-O 3.03Å; D963-E967 PolarHBondContact N-O 2.77Å; D963-E967 PolarHBondContact OD1-N 3.44Å; N965-E967 PolarHBondContact O-N 2.97Å; E967-L969 PolarHBondContact O-N 2.77Å | ||
| 968 | E | 60.2 | Low | 60.9 | Low | 111 Ų | 111 | 79.1 Ų | 79.1 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 100.1 | -170.9 | -168 | 168.1 | 161.2 | 0 | 0 | 112.2 | R958 Q960 C961 | R958-E968 IonicContact CZ-OE1 2.88Å; R958-E968 IonicContact CZ-OE2 2.89Å; R958-E968 IonicContact NH1-OE2 3.41Å; R958-E968 PolarHBondContact NH1-OE2 2.9Å; R958-E968 IonicContact NH2-OE1 2.65Å; R958-E968 PolarHBondContact NH2-OE1 3.47Å; R958-E968 IonicContact NH2-OE2 3.53Å; R958-E968 PolarHBondContact NH2-OE2 3.46Å; Q960-E968 HydrophobicContact CB-CG 4.25Å; Q960-E968 HydrophobicContact CG-CG 4.09Å; Q960-E968 PolarHBondContact NE2-OE2 3.23Å; C961-E968 CarbonylContact O-C 3.57Å; C961-E968 WeakPolarHBondContact O-CA 3.4Å |
| 969 | L | 62 | Low | 60.3 | Low | 49 Ų | 49 | 76.5 Ų | 76.5 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | trans | -78.3 | 153.2 | 177.3 | -73.5 | 179.1 | 0 | 0 | 0 | 112.2 | P936 C961 D963 E967 Y973 | P936-L969 HydrophobicContact CB-CD1 3.72Å; P936-L969 HydrophobicContact CG-CD1 3.62Å; C961-L969 PolarHBondContact O-N 3.35Å; D963-L969 HydrophobicContact CB-CD1 3.79Å; D963-L969 HydrophobicContact CB-CG 4.13Å; E967-L969 PolarHBondContact O-N 2.77Å; L969-Y973 HydrophobicContact CB-CD2 4.2Å; L969-Y973 HydrophobicContact CD2-CD2 4.26Å | ||
| 970 | D | 63.1 | Low | 59.4 | Low | 74 Ų | 74 | 80.1 Ų | 80.1 | 40% | 0.396 | 43% | 0.431 | S | S | . | . | trans | -53.5 | 126 | 165.6 | 178.3 | -27.6 | 0 | 0 | 0 | 109.4 | K972 Y973 | D970-K972 HydrophobicContact CB-CG 4.38Å; D970-K972 PolarHBondContact O-N 2.67Å; D970-K972 WeakPolarHBondContact OD1-CG 3.23Å; D970-K972 PolarHBondContact OD1-N 2.9Å; D970-K972 VanDerWaalsContact OD1-N 3.14Å; D970-K972 WeakPolarHBondContact OD2-CD 3.46Å; D970-K972 VanDerWaalsContact OD2-CE 3.25Å; D970-K972 WeakPolarHBondContact OD2-CE 3.14Å; D970-K972 IonicContact OD2-NZ 2.75Å; D970-K972 PolarHBondContact OD2-NZ 2.68Å; D970-Y973 HydrophobicContact CB-CD2 3.78Å; D970-Y973 HydrophobicContact CB-CE2 3.75Å; D970-Y973 WeakPolarHBondContact O-CD2 3.24Å; D970-Y973 PolarHBondContact O-N 3.08Å | ||
| 971 | P | 60.8 | Low | 59.3 | Low | 74 Ų | 74 | 82.8 Ų | 82.8 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -47.9 | -28.7 | -176.1 | -33.3 | 37.5 | 0 | 0 | 0 | 115.7 | W938 Y973 C974 T975 | W938-P971 HydrophobicContact CH2-CB 4.16Å; P971-Y973 PolarHBondContact O-N 2.84Å; P971-Y973 VanDerWaalsContact O-N 3.15Å; P971-C974 PolarHBondContact O-N 2.56Å; P971-T975 PolarHBondContact O-N 2.8Å |
| 972 | K | 62 | Low | 59 | Low | 113 Ų | 113 | 83.9 Ų | 83.9 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -60.7 | -20 | 177.3 | 80.9 | -167 | 179 | -146.4 | 0 | 114.2 | D970 C974 T975 | D970-K972 HydrophobicContact CB-CG 4.38Å; D970-K972 PolarHBondContact O-N 2.67Å; D970-K972 WeakPolarHBondContact OD1-CG 3.23Å; D970-K972 PolarHBondContact OD1-N 2.9Å; D970-K972 VanDerWaalsContact OD1-N 3.14Å; D970-K972 WeakPolarHBondContact OD2-CD 3.46Å; D970-K972 VanDerWaalsContact OD2-CE 3.25Å; D970-K972 WeakPolarHBondContact OD2-CE 3.14Å; D970-K972 IonicContact OD2-NZ 2.75Å; D970-K972 PolarHBondContact OD2-NZ 2.68Å; K972-C974 VanDerWaalsContact C-N 3.33Å; K972-T975 WeakPolarHBondContact CA-OG1 3.45Å; K972-T975 PolarHBondContact O-OG1 2.85Å |
| 973 | Y | 64.9 | Low | 58.4 | Low | 132 Ų | 132 | 87.1 Ų | 87.1 | 52% | 0.518 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -80.8 | -15.8 | 177 | -61.9 | -58.3 | 0 | 0 | 0 | 112.5 | P936 L969 D970 P971 | P936-Y973 WeakPolarHBondContact CB-O 3.25Å; L969-Y973 HydrophobicContact CB-CD2 4.2Å; L969-Y973 HydrophobicContact CD2-CD2 4.26Å; D970-Y973 HydrophobicContact CB-CD2 3.78Å; D970-Y973 HydrophobicContact CB-CE2 3.75Å; D970-Y973 WeakPolarHBondContact O-CD2 3.24Å; D970-Y973 PolarHBondContact O-N 3.08Å; P971-Y973 PolarHBondContact O-N 2.84Å; P971-Y973 VanDerWaalsContact O-N 3.15Å |
| 974 | C | 67.7 | Low | 58 | Low | 4 Ų | 4 | 86.9 Ų | 86.9 | 3% | 0.027 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -103.2 | 9.9 | 171.7 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | W938 C961 P971 K972 D976 | W938-C974 HydrophobicContact CD2-CB 4.04Å; W938-C974 HydrophobicContact CG-CB 4.38Å; W938-C974 HydrophobicContact CH2-CB 4.5Å; W938-C974 HydrophobicContact CZ2-CB 3.79Å; W938-C974 PolarHBondContact NE1-O 2.91Å; C961-C974 WeakPolarHBondContact CA-SG 3.01Å; C961-C974 HydrophobicContact CB-CB 3.83Å; C961-C974 WeakPolarHBondContact CB-SG 3.46Å; C961-C974 WeakPolarHBondContact SG-CB 3.04Å; C961-C974 PolarHBondContact SG-N 3.07Å; C961-C974 VanDerWaalsContact SG-N 3.44Å; C961-C974 CovalentContact SG-SG 2.03Å; C961-C974 PolarHBondContact SG-SG 3.07Å; P971-C974 PolarHBondContact O-N 2.56Å; K972-C974 VanDerWaalsContact C-N 3.33Å; C974-D976 VanDerWaalsContact C-N 3.33Å; C974-D976 PolarHBondContact O-N 3.16Å |
| 975 | T | 53.6 | Low | 57.5 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 58% | 0.577 | 46% | 0.455 | S | S | * | . | trans | -93.1 | 54.2 | 173.8 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | P971 K972 | P971-T975 PolarHBondContact O-N 2.8Å; K972-T975 WeakPolarHBondContact CA-OG1 3.45Å; K972-T975 PolarHBondContact O-OG1 2.85Å | ||
| 976 | D | 52.6 | Low | 57.5 | Low | 95 Ų | 95 | 87.5 Ų | 87.5 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | trans | -70.5 | 130.4 | 155.5 | -176.6 | -46.2 | 0 | 0 | 0 | 107.5 | C974 K978 Q979 | C974-D976 VanDerWaalsContact C-N 3.33Å; C974-D976 PolarHBondContact O-N 3.16Å; D976-K978 PolarHBondContact O-N 2.77Å; D976-K978 PolarHBondContact OD1-N 3.48Å; D976-Q979 PolarHBondContact O-N 3.01Å | ||
| 977 | P | 48.1 | Very low | 57.4 | Low | 135 Ų | 135 | 85.2 Ų | 85.2 | 88% | 0.877 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -10.6 | -179.3 | -29.2 | 36.6 | 0 | 0 | 0 | 116.6 | ||
| 978 | K | 45.9 | Very low | 57.6 | Low | 194 Ų | 194 | 79.1 Ų | 79.1 | 84% | 0.843 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.9 | 175.7 | -64.1 | 178.2 | -177.7 | 174.2 | 0 | 115.3 | D976 | D976-K978 PolarHBondContact O-N 2.77Å; D976-K978 PolarHBondContact OD1-N 3.48Å |
| 979 | Q | 49.7 | Very low | 57.4 | Low | 83 Ų | 83 | 79 Ų | 79 | 39% | 0.388 | 42% | 0.422 | S | S | . | . | trans | -112.4 | 106.9 | 179.2 | -69 | -162.2 | 13 | 0 | 0 | 113 | D976 | D976-Q979 PolarHBondContact O-N 3.01Š| ||
| 980 | A | 48.8 | Very low | 57.4 | Low | 94 Ų | 94 | 80.5 Ų | 80.5 | 78% | 0.777 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 133.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | P982 | A980-P982 WeakPolarHBondContact O-CD 3.3Š|
| 981 | R | 63.3 | Low | 56.9 | Low | 103 Ų | 103 | 78.4 Ų | 78.4 | 39% | 0.389 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 124.7 | 177.4 | -172.2 | -178.9 | -177.6 | -158.6 | -0.2 | 110.5 | D206 W938 | D206-R981 IonicContact OD2-NH2 2.96Å; D206-R981 PolarHBondContact OD2-NH2 3.49Å; W938-R981 HydrophobicContact CE3-CG 4.38Å; W938-R981 HydrophobicContact CH2-CB 4.45Å; W938-R981 HydrophobicContact CH2-CG 3.88Å; W938-R981 HydrophobicContact CZ2-CB 4.14Å; W938-R981 HydrophobicContact CZ2-CG 4.05Å; W938-R981 HydrophobicContact CZ3-CG 4.06Å |
| 982 | P | 67.7 | Low | 56.9 | Low | 27 Ų | 27 | 78.6 Ų | 78.6 | 18% | 0.175 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 163 | -179.3 | -20.4 | 32.6 | 0 | 0 | 0 | 114 | W938 L940 I959 A980 | W938-P982 HydrophobicContact CB-CG 4.4Å; L940-P982 HydrophobicContact CD2-CB 3.55Å; L940-P982 HydrophobicContact CD2-CG 3.71Å; I959-P982 HydrophobicContact CD1-CB 4.06Å; I959-P982 WeakPolarHBondContact CD1-O 3.48Å; A980-P982 WeakPolarHBondContact O-CD 3.3Å |
| 983 | P | 54.7 | Low | 56.8 | Low | 76 Ų | 76 | 74.9 Ų | 74.9 | 49% | 0.494 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 137.4 | 176.9 | 29.8 | -34.2 | 0 | 0 | 0 | 113 | R957 | R957-P983 PolarHBondContact NE-O 2.91Å; R957-P983 PolarHBondContact NH2-O 2.76Å |
| 984 | T | 57.6 | Low | 57.3 | Low | 22 Ų | 22 | 69.7 Ų | 69.7 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -84.2 | -19.6 | 177.9 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | W943 T956 R957 I959 | W943-T984 WeakPolarHBondContact CZ3-O 3.25Å; T956-T984 CarbonylContact C-O 3.59Å; T956-T984 WeakPolarHBondContact CA-O 3.29Å; R957-T984 PolarHBondContact N-O 2.69Å; I959-T984 HydrophobicContact CD1-CG2 3.57Å; I959-T984 HydrophobicContact CG1-CG2 3.95Å |
| 985 | H | 50 | Low | 57.5 | Low | 41 Ų | 41 | 74.1 Ų | 74.1 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.7 | -172.7 | -71.5 | 77.6 | 0 | 0 | 0 | 111.2 | N207 W954 T956 | N207-H985 VanDerWaalsContact CG-CE1 3.49Å; N207-H985 PolarHBondContact ND2-CE1 2.95Å; N207-H985 PolarHBondContact ND2-NE2 3.03Å; N207-H985 PolarHBondContact OD1-CE1 2.92Å; N207-H985 PolarHBondContact OD1-ND1 2.88Å; W954-H985 HydrophobicContact CE3-CB 4.39Å; T956-H985 WeakPolarHBondContact CG2-NE2 3.47Å |
| 986 | Q | 62.4 | Low | 58.8 | Low | 85 Ų | 85 | 71.1 Ų | 71.1 | 40% | 0.397 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 133.9 | 171.1 | -176.8 | -177.2 | -0.6 | 0 | 0 | 109.5 | W943 K955 | W943-Q986 HydrophobicContact CH2-CB 3.51Å; W943-Q986 HydrophobicContact CZ2-CB 3.89Å; W943-Q986 HydrophobicContact CZ3-CB 3.9Å; K955-Q986 HydrophobicContact CG-CB 4.16Å; K955-Q986 WeakPolarHBondContact CG-O 3.38Å; K955-Q986 PolarHBondContact N-O 3.37Å; K955-Q986 PolarHBondContact O-N 2.03Å; K955-Q986 VanDerWaalsContact O-N 3.09Å |
| 987 | P | 52.1 | Low | 59.8 | Low | 37 Ų | 37 | 70.8 Ų | 70.8 | 24% | 0.24 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 147.2 | 172.2 | 28.8 | -34.3 | 0 | 0 | 0 | 110.9 | G953 W954 | G953-P987 WeakPolarHBondContact O-CA 3.47Å; W954-P987 HydrophobicContact CE3-CB 4.28Å; W954-P987 HydrophobicContact CH2-CB 4.29Å; W954-P987 HydrophobicContact CZ3-CB 4.09Å; W954-P987 HydrophobicContact CZ3-CG 4.37Å |
| 988 | C | 61.9 | Low | 60.8 | Low | 18 Ų | 18 | 70.2 Ų | 70.2 | 12% | 0.122 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 110.1 | 177.5 | 40.4 | 0 | 0 | 0 | 0 | 109.7 | C946 G953 W954 K955 | C946-C988 VanDerWaalsContact CA-SG 3.59Å; C946-C988 HydrophobicContact CB-CB 4.01Å; C946-C988 WeakPolarHBondContact CB-SG 3.47Å; C946-C988 WeakPolarHBondContact SG-CB 3.06Å; C946-C988 PolarHBondContact SG-O 2.85Å; C946-C988 CovalentContact SG-SG 2.04Å; C946-C988 PolarHBondContact SG-SG 3.42Å; G953-C988 PolarHBondContact N-O 2.89Å; G953-C988 PolarHBondContact O-N 3.18Å; G953-C988 PolarHBondContact O-SG 3.01Å; G953-C988 VanDerWaalsContact O-SG 3.42Å; W954-C988 VanDerWaalsContact C-SG 3.52Å; K955-C988 PolarHBondContact N-SG 2.94Å; K955-C988 VanDerWaalsContact N-SG 3.44Å |
| 989 | N | 55.9 | Low | 62.5 | Low | 108 Ų | 108 | 64.5 Ų | 64.5 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 99 | -177.1 | -54.9 | 45.2 | 0 | 0 | 0 | 108.1 | D952 G991 | D952-N989 PolarHBondContact OD1-ND2 2.92Å; N989-G991 VanDerWaalsContact C-N 3.26Å; N989-G991 PolarHBondContact O-N 3.21Å |
| 990 | L | 62.4 | Low | 63.7 | Low | 82 Ų | 82 | 67.7 Ų | 67.7 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | trans | -88.3 | 11.9 | -174 | -68.4 | 178.4 | 0 | 0 | 0 | 113.9 | C946 R948 T949 L951 | C946-L990 HydrophobicContact CB-CD1 3.87Å; R948-L990 WeakPolarHBondContact O-CD1 3.4Å; T949-L990 WeakPolarHBondContact O-CD1 3.09Å; L951-L990 PolarHBondContact O-N 3.27Å | ||
| 991 | G | 53.3 | Low | 64.8 | Low | 30 Ų | 30 | 66.2 Ų | 66.2 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | trans | 75.2 | -177.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | L951 N989 C993 | L951-G991 WeakPolarHBondContact CA-O 3.35Å; L951-G991 PolarHBondContact N-O 3.45Å; N989-G991 VanDerWaalsContact C-N 3.26Å; N989-G991 PolarHBondContact O-N 3.21Å; G991-C993 PolarHBondContact O-N 2.94Å | ||
| 992 | P | 60.4 | Low | 65.4 | Low | 78 Ų | 78 | 63.8 Ų | 63.8 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -56.6 | 137.1 | -179.7 | -24.7 | 34.8 | 0 | 0 | 0 | 112.1 | Y1021 | P992-Y1021 WeakPolarHBondContact O-CE2 3.45Š|
| 993 | C | 59.4 | Low | 65.8 | Low | 35 Ų | 35 | 66.6 Ų | 66.6 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 144.4 | 171.9 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | C950 G991 | C950-C993 HydrophobicContact CB-CB 3.73Å; C950-C993 WeakPolarHBondContact CB-SG 2.98Å; C950-C993 VanDerWaalsContact SG-CA 3.56Å; C950-C993 WeakPolarHBondContact SG-CB 3.39Å; C950-C993 CovalentContact SG-SG 2.03Å; C950-C993 PolarHBondContact SG-SG 3.09Å; G991-C993 PolarHBondContact O-N 2.94Å |
| 994 | P | 76.3 | Confident | 66.8 | Low | 23 Ų | 23 | 64.5 Ų | 64.5 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 144 | 159.9 | 29.1 | -33.8 | 0 | 0 | 0 | 108.7 | V1020 Y1021 Y1030 L1034 | P994-V1020 CarbonylContact C-O 3.51Å; P994-V1020 VanDerWaalsContact CA-O 3.23Å; P994-V1020 WeakPolarHBondContact CA-O 3.47Å; P994-Y1021 HydrophobicContact CB-CD2 3.93Å; P994-Y1021 HydrophobicContact CB-CG 4.34Å; P994-Y1021 HydrophobicContact CG-CD2 4.41Å; P994-Y1030 WeakPolarHBondContact CG-O 3.39Å; P994-L1034 WeakPolarHBondContact O-CD1 3.02Å |
| 995 | F | 71.9 | Confident | 67.7 | Low | 97 Ų | 97 | 67.4 Ų | 67.4 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 155.7 | -177.2 | 68.8 | -88.3 | 0 | 0 | 0 | 112.5 | R997 V1020 | F995-R997 HydrophobicContact CE2-CB 4.2Å; F995-R997 PolarHBondContact O-N 2.92Å; F995-V1020 HydrophobicContact CD1-CB 4.4Å; F995-V1020 HydrophobicContact CE1-CB 4.01Å; F995-V1020 HydrophobicContact CE1-CG1 3.85Å; F995-V1020 HydrophobicContact CE2-CB 4.2Å; F995-V1020 HydrophobicContact CZ-CB 3.9Å; F995-V1020 HydrophobicContact CZ-CG1 3.8Å; F995-V1020 PolarHBondContact N-O 3.04Å; F995-V1020 PolarHBondContact O-N 2.83Å |
| 996 | W | 79.4 | Confident | 68.5 | Low | 30 Ų | 30 | 67.8 Ų | 67.8 | 11% | 0.114 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 105.5 | 176.9 | -66.9 | 112 | 0 | 0 | 0 | 111.3 | V1017 E1018 C1019 T1028 C1031 L1034 M1036 P1037 | W996-V1017 HydrophobicContact CB-CG1 4.04Å; W996-V1017 HydrophobicContact CD2-CG1 4.3Å; W996-V1017 HydrophobicContact CE3-CG1 3.86Å; W996-V1017 HydrophobicContact CG-CG1 4.44Å; W996-E1018 CarbonylContact C-O 3.58Å; W996-E1018 VanDerWaalsContact CA-O 3.28Å; W996-E1018 WeakPolarHBondContact CA-O 3.1Å; W996-C1019 HydrophobicContact CE3-CB 4.09Å; W996-C1019 HydrophobicContact CH2-CB 4.39Å; W996-C1019 HydrophobicContact CZ3-CB 3.92Å; W996-T1028 HydrophobicContact CH2-CG2 3.87Å; W996-T1028 HydrophobicContact CZ3-CG2 4.1Å; W996-C1031 HydrophobicContact CD2-CB 4.01Å; W996-C1031 HydrophobicContact CH2-CB 4.06Å; W996-C1031 HydrophobicContact CZ2-CB 3.43Å; W996-C1031 VanDerWaalsContact CZ2-CB 3.43Å; W996-L1034 PolarHBondContact NE1-O 2.8Å; W996-M1036 HydrophobicContact CD2-CG 4.2Å; W996-M1036 HydrophobicContact CE3-CG 4.21Å; W996-M1036 HydrophobicContact CH2-CB 4.23Å; W996-M1036 HydrophobicContact CH2-CG 3.79Å; W996-M1036 HydrophobicContact CH2-SD 3.84Å; W996-M1036 HydrophobicContact CZ2-CB 3.75Å; W996-M1036 HydrophobicContact CZ2-CG 3.79Å; W996-M1036 HydrophobicContact CZ2-SD 4.32Å; W996-M1036 HydrophobicContact CZ3-CG 4.01Å; W996-M1036 HydrophobicContact CZ3-SD 4.15Å; W996-P1037 VanDerWaalsContact CB-CD 3.46Å; W996-P1037 HydrophobicContact CB-CG 3.67Å; W996-P1037 VanDerWaalsContact CD1-CD 3.49Å; W996-P1037 HydrophobicContact CG-CG 4.15Å |
| 997 | R | 74.4 | Confident | 68.8 | Low | 88 Ų | 88 | 70.2 Ų | 70.2 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.8 | 169.8 | 175.8 | 162.8 | 63.3 | -153.9 | 6.3 | 109 | F995 V1017 E1018 V1020 | F995-R997 HydrophobicContact CE2-CB 4.2Å; F995-R997 PolarHBondContact O-N 2.92Å; R997-V1017 WeakPolarHBondContact O-CA 3.07Å; R997-E1018 HydrophobicContact CB-CB 4.42Å; R997-E1018 IonicContact CZ-OE2 3.43Å; R997-E1018 PolarHBondContact N-O 2.87Å; R997-E1018 IonicContact NE-OE2 2.69Å; R997-E1018 PolarHBondContact NE-OE2 2.85Å; R997-E1018 IonicContact NH2-OE2 3.31Å; R997-E1018 PolarHBondContact NH2-OE2 2.99Å; R997-E1018 PolarHBondContact O-N 2.77Å; R997-V1020 HydrophobicContact CB-CG2 3.59Å |
| 998 | K | 69.7 | Low | 69.6 | Low | 124 Ų | 124 | 70.5 Ų | 70.5 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.8 | -179.6 | -64.5 | 161.8 | -71.1 | -175.8 | 0 | 108.3 | P1037 | K998-P1037 HydrophobicContact CD-CB 4.19Å; K998-P1037 HydrophobicContact CD-CG 4.23Å; K998-P1037 HydrophobicContact CG-CB 4.11Å; K998-P1037 HydrophobicContact CG-CG 4.12Å |
| 999 | H | 80.5 | Confident | 69.5 | Low | 74 Ų | 74 | 70.6 Ų | 70.6 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 171.3 | 168.8 | -73 | 84 | 0 | 0 | 0 | 111.5 | R1015 T1016 E1018 | H999-R1015 VanDerWaalsContact O-CD 3.3Å; H999-R1015 WeakPolarHBondContact O-CD 3.43Å; H999-T1016 VanDerWaalsContact CB-OG1 3.29Å; H999-T1016 WeakPolarHBondContact CB-OG1 3.43Å; H999-T1016 PolarHBondContact N-O 3.04Å; H999-T1016 PolarHBondContact ND1-OG1 2.79Å; H999-T1016 VanDerWaalsContact ND1-OG1 3.13Å; H999-E1018 VanDerWaalsContact CE1-CD 3.42Å; H999-E1018 IonicContact CE1-OE1 2.8Å; H999-E1018 PolarHBondContact CE1-OE1 3.04Å; H999-E1018 IonicContact CE1-OE2 3.71Å |
| 1000 | D | 75.3 | Confident | 69.4 | Low | 149 Ų | 149 | 69.7 Ų | 69.7 | 80% | 0.797 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 157.2 | 172.7 | -65.1 | -57.8 | 0 | 0 | 0 | 112 | R1015 | D1000-R1015 VanDerWaalsContact O-CB 3.23Å; D1000-R1015 WeakPolarHBondContact O-CB 3.32Å |
| 1001 | W | 73 | Confident | 70 | Confident | 64 Ų | 64 | 66 Ų | 66 | 24% | 0.242 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 142 | 178.2 | -65.7 | 104 | 0 | 0 | 0 | 111 | Q1013 R1015 H1040 R1041 | W1001-Q1013 HydrophobicContact CB-CB 4.21Å; W1001-Q1013 HydrophobicContact CE3-CB 4.02Å; W1001-R1015 HydrophobicContact CD2-CB 4.2Å; W1001-R1015 HydrophobicContact CD2-CG 4.19Å; W1001-R1015 HydrophobicContact CE3-CB 3.83Å; W1001-R1015 HydrophobicContact CE3-CG 3.78Å; W1001-R1015 HydrophobicContact CH2-CG 3.99Å; W1001-R1015 HydrophobicContact CZ2-CG 4.4Å; W1001-R1015 HydrophobicContact CZ3-CB 4.2Å; W1001-R1015 HydrophobicContact CZ3-CG 3.67Å; W1001-H1040 WeakPolarHBondContact CH2-O 3.28Å; W1001-H1040 VanDerWaalsContact CZ3-C 3.47Å; W1001-R1041 HydrophobicContact CD2-CB 4.42Å; W1001-R1041 HydrophobicContact CE3-CB 4.1Å; W1001-R1041 HydrophobicContact CH2-CB 3.5Å; W1001-R1041 HydrophobicContact CZ2-CB 3.83Å; W1001-R1041 HydrophobicContact CZ3-CB 3.65Å |
| 1002 | S | 76.1 | Confident | 70.9 | Confident | 52 Ų | 52 | 67.5 Ų | 67.5 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 168.3 | 168.5 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | Q1013 V1014 | S1002-Q1013 WeakPolarHBondContact O-CG 2.99Å; S1002-Q1013 PolarHBondContact O-NE2 3.4Å; S1002-Q1013 WeakPolarHBondContact OG-CA 3.45Å; S1002-V1014 WeakPolarHBondContact CB-O 3.26Å; S1002-V1014 PolarHBondContact N-O 3.2Å; S1002-V1014 PolarHBondContact OG-N 2.9Å; S1002-V1014 PolarHBondContact OG-O 3.23Å |
| 1003 | A | 75.3 | Confident | 71.7 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 71% | 0.711 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 155.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1004 | C | 75.1 | Confident | 72.3 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 143.7 | 173.3 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | V1006 Q1013 C1043 L1045 | C1004-V1006 PolarHBondContact O-N 2.84Å; C1004-Q1013 HydrophobicContact CB-CG 4.31Å; C1004-C1043 WeakPolarHBondContact CA-SG 3.31Å; C1004-C1043 HydrophobicContact CB-CB 3.95Å; C1004-C1043 WeakPolarHBondContact CB-SG 3.19Å; C1004-C1043 WeakPolarHBondContact SG-CB 3.08Å; C1004-C1043 PolarHBondContact SG-O 2.96Å; C1004-C1043 VanDerWaalsContact SG-O 3.41Å; C1004-C1043 CovalentContact SG-SG 2.04Å; C1004-C1043 PolarHBondContact SG-SG 2.88Å; C1004-L1045 HydrophobicContact CB-CD1 4.22Å |
| 1005 | S | 76.9 | Confident | 71.7 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 58% | 0.58 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -71.4 | -4.8 | -178 | 69.6 | 0 | 0 | 0 | 0 | 114.9 | G1011 T1012 | S1005-G1011 WeakPolarHBondContact OG-CA 3.49Å; S1005-T1012 WeakPolarHBondContact CB-O 3.28Å; S1005-T1012 PolarHBondContact N-O 2.86Å; S1005-T1012 PolarHBondContact OG-N 2.94Å |
| 1006 | V | 67.8 | Low | 72 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | trans | -134 | 167.9 | 177.1 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | C1004 C1008 G1009 L1045 | C1004-V1006 PolarHBondContact O-N 2.84Å; V1006-C1008 VanDerWaalsContact CG2-O 3.27Å; V1006-C1008 WeakPolarHBondContact CG2-O 3.39Å; V1006-G1009 WeakPolarHBondContact CG2-O 3.37Å; V1006-L1045 HydrophobicContact CG2-CD1 4.33Å; V1006-L1045 WeakPolarHBondContact O-CD1 3.17Å | ||
| 1007 | T | 67.7 | Low | 71.9 | Confident | 136 Ų | 136 | 67.7 Ų | 67.7 | 83% | 0.834 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -109.7 | -18.9 | 176.8 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | L1045 | T1007-L1045 VanDerWaalsContact C-CD1 3.48Å; T1007-L1045 WeakPolarHBondContact O-CD1 3.45Å |
| 1008 | C | 68.6 | Low | 72 | Confident | 43 Ų | 43 | 66 Ų | 66 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -140 | 152.2 | 167.9 | 61.1 | 0 | 0 | 0 | 0 | 109.1 | V1006 V1046 C1048 | V1006-C1008 VanDerWaalsContact CG2-O 3.27Å; V1006-C1008 WeakPolarHBondContact CG2-O 3.39Å; C1008-V1046 CarbonylContact C-O 3.59Å; C1008-V1046 VanDerWaalsContact CA-O 3.27Å; C1008-V1046 WeakPolarHBondContact CA-O 3.34Å; C1008-V1046 WeakPolarHBondContact CB-O 3.49Å; C1008-C1048 HydrophobicContact CB-CB 4.05Å; C1008-C1048 WeakPolarHBondContact CB-SG 3.41Å; C1008-C1048 WeakPolarHBondContact SG-CB 3.26Å; C1008-C1048 CovalentContact SG-SG 2.05Å; C1008-C1048 PolarHBondContact SG-SG 2.93Å |
| 1009 | G | 59.3 | Low | 72.4 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 70.1 | -163.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1006 L1045 V1046 | V1006-G1009 WeakPolarHBondContact CG2-O 3.37Å; G1009-L1045 WeakPolarHBondContact CA-O 3.41Å; G1009-L1045 PolarHBondContact N-O 3.13Å; G1009-L1045 WeakPolarHBondContact O-CB 3.17Å; G1009-L1045 PolarHBondContact O-N 2.81Å; G1009-V1046 PolarHBondContact N-O 3.19Å |
| 1010 | S | 55.5 | Low | 72.1 | Confident | 89 Ų | 89 | 56.7 Ų | 56.7 | 62% | 0.622 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.4 | -174.4 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | D1044 | S1010-D1044 VanDerWaalsContact CB-OD1 3.24Å; S1010-D1044 WeakPolarHBondContact CB-OD1 3.29Å; S1010-D1044 PolarHBondContact OG-OD1 2.84Å |
| 1011 | G | 74.8 | Confident | 72 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | -166.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1005 I1042 C1043 | S1005-G1011 WeakPolarHBondContact OG-CA 3.49Å; G1011-I1042 CarbonylContact O-C 3.42Å; G1011-I1042 WeakPolarHBondContact O-CA 3.02Å; G1011-C1043 PolarHBondContact N-O 3.09Å; G1011-C1043 PolarHBondContact O-N 2.89Å; G1011-C1043 PolarHBondContact O-SG 2.79Å |
| 1012 | T | 71.9 | Confident | 71.7 | Confident | 61 Ų | 61 | 56 Ų | 56 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144.8 | 177.5 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | S1005 H1040 R1041 C1043 | S1005-T1012 WeakPolarHBondContact CB-O 3.28Å; S1005-T1012 PolarHBondContact N-O 2.86Å; S1005-T1012 PolarHBondContact OG-N 2.94Å; T1012-H1040 HydrophobicContact CG2-CB 4.29Å; T1012-R1041 CarbonylContact C-O 3.6Å; T1012-R1041 WeakPolarHBondContact CA-O 3.3Å; T1012-C1043 VanDerWaalsContact C-SG 3.51Å; T1012-C1043 PolarHBondContact N-SG 3.12Å; T1012-C1043 VanDerWaalsContact N-SG 3.38Å |
| 1013 | Q | 76.8 | Confident | 71.2 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 145.5 | 166.7 | -66.8 | 176.8 | -70.4 | 0 | 0 | 110.4 | W1001 S1002 C1004 H1040 R1041 C1043 | W1001-Q1013 HydrophobicContact CB-CB 4.21Å; W1001-Q1013 HydrophobicContact CE3-CB 4.02Å; S1002-Q1013 WeakPolarHBondContact O-CG 2.99Å; S1002-Q1013 PolarHBondContact O-NE2 3.4Å; S1002-Q1013 WeakPolarHBondContact OG-CA 3.45Å; C1004-Q1013 HydrophobicContact CB-CG 4.31Å; Q1013-H1040 CarbonylContact O-C 3.56Å; Q1013-H1040 WeakPolarHBondContact O-CA 3.43Å; Q1013-R1041 PolarHBondContact N-O 3.18Å; Q1013-R1041 PolarHBondContact O-N 3.42Å; Q1013-C1043 HydrophobicContact CG-CB 4.01Å |
| 1014 | V | 71.3 | Confident | 70.9 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 147.5 | -178.8 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | S1002 N1039 | S1002-V1014 WeakPolarHBondContact CB-O 3.26Å; S1002-V1014 PolarHBondContact N-O 3.2Å; S1002-V1014 PolarHBondContact OG-N 2.9Å; S1002-V1014 PolarHBondContact OG-O 3.23Å; V1014-N1039 CarbonylContact C-O 3.57Å; V1014-N1039 VanDerWaalsContact CA-O 3.23Å; V1014-N1039 WeakPolarHBondContact CA-O 3.38Å |
| 1015 | R | 63.9 | Low | 70.9 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | trans | -140.6 | 155 | 170.7 | 68.5 | 176.8 | 172.2 | -162.6 | -11 | 111.7 | H999 D1000 W1001 V1017 S1038 N1039 | H999-R1015 VanDerWaalsContact O-CD 3.3Å; H999-R1015 WeakPolarHBondContact O-CD 3.43Å; D1000-R1015 VanDerWaalsContact O-CB 3.23Å; D1000-R1015 WeakPolarHBondContact O-CB 3.32Å; W1001-R1015 HydrophobicContact CD2-CB 4.2Å; W1001-R1015 HydrophobicContact CD2-CG 4.19Å; W1001-R1015 HydrophobicContact CE3-CB 3.83Å; W1001-R1015 HydrophobicContact CE3-CG 3.78Å; W1001-R1015 HydrophobicContact CH2-CG 3.99Å; W1001-R1015 HydrophobicContact CZ2-CG 4.4Å; W1001-R1015 HydrophobicContact CZ3-CB 4.2Å; W1001-R1015 HydrophobicContact CZ3-CG 3.67Å; R1015-V1017 HydrophobicContact CG-CG2 4.15Å; R1015-S1038 VanDerWaalsContact CZ-O 3.31Å; R1015-S1038 PolarHBondContact NE-O 2.03Å; R1015-S1038 PolarHBondContact NH2-O 3.38Å; R1015-N1039 PolarHBondContact N-O 2.87Å; R1015-N1039 WeakPolarHBondContact O-CB 3.21Å | ||
| 1016 | T | 79 | Confident | 70.8 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | trans | -81.4 | 146.8 | 169.1 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | H999 | H999-T1016 VanDerWaalsContact CB-OG1 3.29Å; H999-T1016 WeakPolarHBondContact CB-OG1 3.43Å; H999-T1016 PolarHBondContact N-O 3.04Å; H999-T1016 PolarHBondContact ND1-OG1 2.79Å; H999-T1016 VanDerWaalsContact ND1-OG1 3.13Å | ||
| 1017 | V | 76.4 | Confident | 71.2 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 118.7 | -177.6 | -173 | 0 | 0 | 0 | 0 | 108.2 | W996 R997 R1015 M1036 P1037 N1039 | W996-V1017 HydrophobicContact CB-CG1 4.04Å; W996-V1017 HydrophobicContact CD2-CG1 4.3Å; W996-V1017 HydrophobicContact CE3-CG1 3.86Å; W996-V1017 HydrophobicContact CG-CG1 4.44Å; R997-V1017 WeakPolarHBondContact O-CA 3.07Å; R1015-V1017 HydrophobicContact CG-CG2 4.15Å; V1017-M1036 HydrophobicContact CG1-CG 4.38Å; V1017-P1037 HydrophobicContact CG1-CB 4.1Å; V1017-P1037 HydrophobicContact CG1-CG 3.99Å; V1017-N1039 HydrophobicContact CG2-CB 4.41Å |
| 1018 | E | 77.8 | Confident | 71.4 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.3 | -169.6 | -62.3 | 174.9 | 168.3 | 0 | 0 | 111.3 | W996 R997 H999 V1020 V1025 | W996-E1018 CarbonylContact C-O 3.58Å; W996-E1018 VanDerWaalsContact CA-O 3.28Å; W996-E1018 WeakPolarHBondContact CA-O 3.1Å; R997-E1018 HydrophobicContact CB-CB 4.42Å; R997-E1018 IonicContact CZ-OE2 3.43Å; R997-E1018 PolarHBondContact N-O 2.87Å; R997-E1018 IonicContact NE-OE2 2.69Å; R997-E1018 PolarHBondContact NE-OE2 2.85Å; R997-E1018 IonicContact NH2-OE2 3.31Å; R997-E1018 PolarHBondContact NH2-OE2 2.99Å; R997-E1018 PolarHBondContact O-N 2.77Å; H999-E1018 VanDerWaalsContact CE1-CD 3.42Å; H999-E1018 IonicContact CE1-OE1 2.8Å; H999-E1018 PolarHBondContact CE1-OE1 3.04Å; H999-E1018 IonicContact CE1-OE2 3.71Å; E1018-V1020 HydrophobicContact CB-CG2 4.45Å; E1018-V1025 HydrophobicContact CB-CG1 4.47Å |
| 1019 | C | 76.9 | Confident | 71.6 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.014 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.2 | 168.4 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | W996 V1026 C1031 | W996-C1019 HydrophobicContact CE3-CB 4.09Å; W996-C1019 HydrophobicContact CH2-CB 4.39Å; W996-C1019 HydrophobicContact CZ3-CB 3.92Å; C1019-V1026 HydrophobicContact CB-CG2 4.33Å; C1019-V1026 PolarHBondContact O-N 2.79Å; C1019-C1031 VanDerWaalsContact CA-SG 3.55Å; C1019-C1031 HydrophobicContact CB-CB 3.83Å; C1019-C1031 WeakPolarHBondContact CB-SG 3.45Å; C1019-C1031 WeakPolarHBondContact SG-CB 3.4Å; C1019-C1031 PolarHBondContact SG-N 2.99Å; C1019-C1031 CovalentContact SG-SG 2.04Å; C1019-C1031 PolarHBondContact SG-SG 2.78Å |
| 1020 | V | 75.6 | Confident | 72.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.2 | -179.2 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | P994 F995 R997 E1018 E1024 | P994-V1020 CarbonylContact C-O 3.51Å; P994-V1020 VanDerWaalsContact CA-O 3.23Å; P994-V1020 WeakPolarHBondContact CA-O 3.47Å; F995-V1020 HydrophobicContact CD1-CB 4.4Å; F995-V1020 HydrophobicContact CE1-CB 4.01Å; F995-V1020 HydrophobicContact CE1-CG1 3.85Å; F995-V1020 HydrophobicContact CE2-CB 4.2Å; F995-V1020 HydrophobicContact CZ-CB 3.9Å; F995-V1020 HydrophobicContact CZ-CG1 3.8Å; F995-V1020 PolarHBondContact N-O 3.04Å; F995-V1020 PolarHBondContact O-N 2.83Å; R997-V1020 HydrophobicContact CB-CG2 3.59Å; E1018-V1020 HydrophobicContact CB-CG2 4.45Å; V1020-E1024 CarbonylContact C-O 3.51Å; V1020-E1024 VanDerWaalsContact CA-O 3.31Å; V1020-E1024 WeakPolarHBondContact CA-O 3.38Å |
| 1021 | Y | 72.3 | Confident | 72.8 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.7 | 174 | -177.3 | -125.1 | 0 | 0 | 0 | 109.2 | P992 P994 N1023 E1024 Y1030 | P992-Y1021 WeakPolarHBondContact O-CE2 3.45Å; P994-Y1021 HydrophobicContact CB-CD2 3.93Å; P994-Y1021 HydrophobicContact CB-CG 4.34Å; P994-Y1021 HydrophobicContact CG-CD2 4.41Å; Y1021-N1023 PolarHBondContact O-N 2.67Å; Y1021-E1024 PolarHBondContact N-O 3.36Å; Y1021-E1024 PolarHBondContact O-N 2.66Å; Y1021-Y1030 HydrophobicContact CD1-CD1 4.5Å |
| 1022 | K | 66.1 | Low | 72.5 | Confident | 139 Ų | 139 | 73.8 Ų | 73.8 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 41.3 | -175.6 | -59.3 | 177.6 | 178.1 | 173.7 | 0 | 113.6 | E1024 | K1022-E1024 PolarHBondContact O-N 2.84Š|
| 1023 | N | 66 | Low | 71.7 | Confident | 138 Ų | 138 | 78.1 Ų | 78.1 | 74% | 0.738 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -10.6 | -173.9 | -68 | -5.4 | 0 | 0 | 0 | 117.4 | Y1021 | Y1021-N1023 PolarHBondContact O-N 2.67Š|
| 1024 | E | 70.4 | Confident | 70.8 | Confident | 144 Ų | 144 | 80.3 Ų | 80.3 | 67% | 0.673 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 149.3 | 175 | -65.3 | -174.6 | 166.2 | 0 | 0 | 111.8 | V1020 Y1021 K1022 | V1020-E1024 CarbonylContact C-O 3.51Å; V1020-E1024 VanDerWaalsContact CA-O 3.31Å; V1020-E1024 WeakPolarHBondContact CA-O 3.38Å; Y1021-E1024 PolarHBondContact N-O 3.36Å; Y1021-E1024 PolarHBondContact O-N 2.66Å; K1022-E1024 PolarHBondContact O-N 2.84Å |
| 1025 | V | 74.4 | Confident | 70.3 | Confident | 87 Ų | 87 | 81.3 Ų | 81.3 | 53% | 0.527 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.1 | 171.2 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | E1018 | E1018-V1025 HydrophobicContact CB-CG1 4.47Å |
| 1026 | V | 73.9 | Confident | 70.8 | Confident | 32 Ų | 32 | 84.7 Ų | 84.7 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | trans | -120.8 | 159 | -179.1 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | C1019 Y1030 | C1019-V1026 HydrophobicContact CB-CG2 4.33Å; C1019-V1026 PolarHBondContact O-N 2.79Å; V1026-Y1030 HydrophobicContact CB-CD2 3.71Å; V1026-Y1030 HydrophobicContact CB-CE2 4.17Å; V1026-Y1030 HydrophobicContact CB-CG 4.2Å; V1026-Y1030 HydrophobicContact CG2-CD2 3.84Å; V1026-Y1030 HydrophobicContact CG2-CG 3.84Å | ||
| 1027 | G | 76.8 | Confident | 70.4 | Confident | 51 Ų | 51 | 82.1 Ų | 82.1 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | trans | -55.4 | 143.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1029 Y1030 | G1027-G1029 PolarHBondContact O-N 2.93Å; G1027-Y1030 WeakPolarHBondContact O-CD2 3.01Å; G1027-Y1030 PolarHBondContact O-N 3.32Å | ||
| 1028 | T | 71.4 | Confident | 70.2 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -52.6 | -25.1 | -174.1 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | W996 Y1030 C1031 R1032 | W996-T1028 HydrophobicContact CH2-CG2 3.87Å; W996-T1028 HydrophobicContact CZ3-CG2 4.1Å; T1028-Y1030 PolarHBondContact O-N 3.12Å; T1028-C1031 CarbonylContact O-C 3.59Å; T1028-C1031 PolarHBondContact O-N 2.71Å; T1028-R1032 PolarHBondContact O-N 2.96Å |
| 1029 | G | 74.3 | Confident | 70.2 | Confident | 55 Ų | 55 | 84.4 Ų | 84.4 | 57% | 0.567 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -54.6 | -31.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | G1027 C1031 R1032 | G1027-G1029 PolarHBondContact O-N 2.93Å; G1029-C1031 PolarHBondContact O-N 2.91Å; G1029-R1032 WeakPolarHBondContact O-CB 3.44Å; G1029-R1032 PolarHBondContact O-N 3.13Å |
| 1030 | Y | 68.2 | Low | 70.2 | Confident | 149 Ų | 149 | 89.9 Ų | 89.9 | 58% | 0.584 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -66.2 | -26.4 | 174.8 | -77.5 | -88.1 | 0 | 0 | 0 | 112.9 | P994 Y1021 V1026 G1027 T1028 | P994-Y1030 WeakPolarHBondContact CG-O 3.39Å; Y1021-Y1030 HydrophobicContact CD1-CD1 4.5Å; V1026-Y1030 HydrophobicContact CB-CD2 3.71Å; V1026-Y1030 HydrophobicContact CB-CE2 4.17Å; V1026-Y1030 HydrophobicContact CB-CG 4.2Å; V1026-Y1030 HydrophobicContact CG2-CD2 3.84Å; V1026-Y1030 HydrophobicContact CG2-CG 3.84Å; G1027-Y1030 WeakPolarHBondContact O-CD2 3.01Å; G1027-Y1030 PolarHBondContact O-N 3.32Å; T1028-Y1030 PolarHBondContact O-N 3.12Å |
| 1031 | C | 70.3 | Confident | 69.7 | Low | 1 Ų | 1 | 95.5 Ų | 95.5 | 1% | 0.007 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -98.8 | 11.7 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 113 | W996 C1019 T1028 G1029 N1033 L1034 | W996-C1031 HydrophobicContact CD2-CB 4.01Å; W996-C1031 HydrophobicContact CH2-CB 4.06Å; W996-C1031 HydrophobicContact CZ2-CB 3.43Å; W996-C1031 VanDerWaalsContact CZ2-CB 3.43Å; C1019-C1031 VanDerWaalsContact CA-SG 3.55Å; C1019-C1031 HydrophobicContact CB-CB 3.83Å; C1019-C1031 WeakPolarHBondContact CB-SG 3.45Å; C1019-C1031 WeakPolarHBondContact SG-CB 3.4Å; C1019-C1031 PolarHBondContact SG-N 2.99Å; C1019-C1031 CovalentContact SG-SG 2.04Å; C1019-C1031 PolarHBondContact SG-SG 2.78Å; T1028-C1031 CarbonylContact O-C 3.59Å; T1028-C1031 PolarHBondContact O-N 2.71Å; G1029-C1031 PolarHBondContact O-N 2.91Å; C1031-N1033 PolarHBondContact O-N 3.25Å; C1031-L1034 PolarHBondContact O-N 2.76Å; C1031-L1034 VanDerWaalsContact O-O 3.06Å |
| 1032 | R | 68.9 | Low | 69.6 | Low | 215 Ų | 215 | 98.4 Ų | 98.4 | 81% | 0.811 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -30.4 | -174.6 | 179.8 | 173.3 | -177.7 | 152.7 | 3.3 | 115.1 | T1028 G1029 | T1028-R1032 PolarHBondContact O-N 2.96Å; G1029-R1032 WeakPolarHBondContact O-CB 3.44Å; G1029-R1032 PolarHBondContact O-N 3.13Å |
| 1033 | N | 55.3 | Low | 69.6 | Low | 151 Ų | 151 | 92.5 Ų | 92.5 | 81% | 0.807 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 3.9 | -179.6 | -64 | -24.1 | 0 | 0 | 0 | 113.7 | C1031 | C1031-N1033 PolarHBondContact O-N 3.25Š|
| 1034 | L | 57.3 | Low | 69.2 | Low | 76 Ų | 76 | 91.2 Ų | 91.2 | 40% | 0.398 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -115.8 | 124.3 | 177.3 | -66.9 | 170.4 | 0 | 0 | 0 | 108.9 | P994 W996 C1031 M1036 | P994-L1034 WeakPolarHBondContact O-CD1 3.02Å; W996-L1034 PolarHBondContact NE1-O 2.8Å; C1031-L1034 PolarHBondContact O-N 2.76Å; C1031-L1034 VanDerWaalsContact O-O 3.06Å; L1034-M1036 PolarHBondContact O-N 2.69Å |
| 1035 | P | 62.3 | Low | 68.6 | Low | 101 Ų | 101 | 87.8 Ų | 87.8 | 66% | 0.656 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 125.1 | -178.8 | 25.2 | -33.7 | 0 | 0 | 0 | 110.1 | P1037 | P1035-P1037 WeakPolarHBondContact O-CD 3.48Š|
| 1036 | M | 72.9 | Confident | 67.8 | Low | 114 Ų | 114 | 88.7 Ų | 88.7 | 56% | 0.562 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 122.4 | 179.8 | -170.7 | 175.7 | 72.9 | 0 | 0 | 109.6 | W996 V1017 L1034 | W996-M1036 HydrophobicContact CD2-CG 4.2Å; W996-M1036 HydrophobicContact CE3-CG 4.21Å; W996-M1036 HydrophobicContact CH2-CB 4.23Å; W996-M1036 HydrophobicContact CH2-CG 3.79Å; W996-M1036 HydrophobicContact CH2-SD 3.84Å; W996-M1036 HydrophobicContact CZ2-CB 3.75Å; W996-M1036 HydrophobicContact CZ2-CG 3.79Å; W996-M1036 HydrophobicContact CZ2-SD 4.32Å; W996-M1036 HydrophobicContact CZ3-CG 4.01Å; W996-M1036 HydrophobicContact CZ3-SD 4.15Å; V1017-M1036 HydrophobicContact CG1-CG 4.38Å; L1034-M1036 PolarHBondContact O-N 2.69Å |
| 1037 | P | 72.1 | Confident | 66.8 | Low | 32 Ų | 32 | 93.7 Ų | 93.7 | 21% | 0.208 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 145.5 | 173.8 | -26.5 | 32.9 | 0 | 0 | 0 | 111.8 | W996 K998 V1017 P1035 N1039 | W996-P1037 VanDerWaalsContact CB-CD 3.46Å; W996-P1037 HydrophobicContact CB-CG 3.67Å; W996-P1037 VanDerWaalsContact CD1-CD 3.49Å; W996-P1037 HydrophobicContact CG-CG 4.15Å; K998-P1037 HydrophobicContact CD-CB 4.19Å; K998-P1037 HydrophobicContact CD-CG 4.23Å; K998-P1037 HydrophobicContact CG-CB 4.11Å; K998-P1037 HydrophobicContact CG-CG 4.12Å; V1017-P1037 HydrophobicContact CG1-CB 4.1Å; V1017-P1037 HydrophobicContact CG1-CG 3.99Å; P1035-P1037 WeakPolarHBondContact O-CD 3.48Å; P1037-N1039 PolarHBondContact O-N 3.4Å |
| 1038 | S | 72.2 | Confident | 66.3 | Low | 56 Ų | 56 | 94.2 Ų | 94.2 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 131.7 | 176.6 | 70 | 0 | 0 | 0 | 0 | 110.8 | R1015 H1040 | R1015-S1038 VanDerWaalsContact CZ-O 3.31Å; R1015-S1038 PolarHBondContact NE-O 2.03Å; R1015-S1038 PolarHBondContact NH2-O 3.38Å; S1038-H1040 VanDerWaalsContact C-N 3.31Å; S1038-H1040 WeakPolarHBondContact CB-O 3.34Å; S1038-H1040 PolarHBondContact OG-O 2.04Å; S1038-H1040 VanDerWaalsContact OG-O 3.04Å |
| 1039 | N | 76.2 | Confident | 66.3 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -84.1 | -9.3 | 170.6 | 65.6 | -24.3 | 0 | 0 | 0 | 112.2 | V1014 R1015 V1017 P1037 | V1014-N1039 CarbonylContact C-O 3.57Å; V1014-N1039 VanDerWaalsContact CA-O 3.23Å; V1014-N1039 WeakPolarHBondContact CA-O 3.38Å; R1015-N1039 PolarHBondContact N-O 2.87Å; R1015-N1039 WeakPolarHBondContact O-CB 3.21Å; V1017-N1039 HydrophobicContact CG2-CB 4.41Å; P1037-N1039 PolarHBondContact O-N 3.4Å |
| 1040 | H | 77.2 | Confident | 66.1 | Low | 116 Ų | 116 | 93.6 Ų | 93.6 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.8 | -180 | 56.1 | -88.3 | 0 | 0 | 0 | 111.7 | W1001 T1012 Q1013 S1038 | W1001-H1040 WeakPolarHBondContact CH2-O 3.28Å; W1001-H1040 VanDerWaalsContact CZ3-C 3.47Å; T1012-H1040 HydrophobicContact CG2-CB 4.29Å; Q1013-H1040 CarbonylContact O-C 3.56Å; Q1013-H1040 WeakPolarHBondContact O-CA 3.43Å; S1038-H1040 VanDerWaalsContact C-N 3.31Å; S1038-H1040 WeakPolarHBondContact CB-O 3.34Å; S1038-H1040 PolarHBondContact OG-O 2.04Å; S1038-H1040 VanDerWaalsContact OG-O 3.04Å |
| 1041 | R | 65.6 | Low | 66.5 | Low | 118 Ų | 118 | 88.8 Ų | 88.8 | 45% | 0.445 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 134.5 | 173.5 | 172.7 | 174 | 81.7 | 169.6 | 2.6 | 109.7 | W1001 T1012 Q1013 | W1001-R1041 HydrophobicContact CD2-CB 4.42Å; W1001-R1041 HydrophobicContact CE3-CB 4.1Å; W1001-R1041 HydrophobicContact CH2-CB 3.5Å; W1001-R1041 HydrophobicContact CZ2-CB 3.83Å; W1001-R1041 HydrophobicContact CZ3-CB 3.65Å; T1012-R1041 CarbonylContact C-O 3.6Å; T1012-R1041 WeakPolarHBondContact CA-O 3.3Å; Q1013-R1041 PolarHBondContact N-O 3.18Å; Q1013-R1041 PolarHBondContact O-N 3.42Å |
| 1042 | I | 69.9 | Low | 65.8 | Low | 122 Ų | 122 | 93.5 Ų | 93.5 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 138.7 | 171.3 | -61.3 | 169.4 | 0 | 0 | 0 | 109.3 | G1011 | G1011-I1042 CarbonylContact O-C 3.42Å; G1011-I1042 WeakPolarHBondContact O-CA 3.02Å |
| 1043 | C | 66.3 | Low | 65.4 | Low | 14 Ų | 14 | 86.7 Ų | 86.7 | 10% | 0.095 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115.2 | 177.7 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | C1004 G1011 T1012 Q1013 | C1004-C1043 WeakPolarHBondContact CA-SG 3.31Å; C1004-C1043 HydrophobicContact CB-CB 3.95Å; C1004-C1043 WeakPolarHBondContact CB-SG 3.19Å; C1004-C1043 WeakPolarHBondContact SG-CB 3.08Å; C1004-C1043 PolarHBondContact SG-O 2.96Å; C1004-C1043 VanDerWaalsContact SG-O 3.41Å; C1004-C1043 CovalentContact SG-SG 2.04Å; C1004-C1043 PolarHBondContact SG-SG 2.88Å; G1011-C1043 PolarHBondContact N-O 3.09Å; G1011-C1043 PolarHBondContact O-N 2.89Å; G1011-C1043 PolarHBondContact O-SG 2.79Å; T1012-C1043 VanDerWaalsContact C-SG 3.51Å; T1012-C1043 PolarHBondContact N-SG 3.12Å; T1012-C1043 VanDerWaalsContact N-SG 3.38Å; Q1013-C1043 HydrophobicContact CG-CB 4.01Å |
| 1044 | D | 57.4 | Low | 65.9 | Low | 111 Ų | 111 | 80.4 Ų | 80.4 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.6 | 178 | -56.1 | -64.2 | 0 | 0 | 0 | 109.9 | S1010 | S1010-D1044 VanDerWaalsContact CB-OD1 3.24Å; S1010-D1044 WeakPolarHBondContact CB-OD1 3.29Å; S1010-D1044 PolarHBondContact OG-OD1 2.84Å |
| 1045 | L | 58.6 | Low | 66.4 | Low | 73 Ų | 73 | 82.4 Ų | 82.4 | 38% | 0.382 | 45% | 0.445 | S | S | . | . | trans | -104.9 | 167.4 | 172.2 | -61 | 179.1 | 0 | 0 | 0 | 110.2 | C1004 V1006 T1007 G1009 | C1004-L1045 HydrophobicContact CB-CD1 4.22Å; V1006-L1045 HydrophobicContact CG2-CD1 4.33Å; V1006-L1045 WeakPolarHBondContact O-CD1 3.17Å; T1007-L1045 VanDerWaalsContact C-CD1 3.48Å; T1007-L1045 WeakPolarHBondContact O-CD1 3.45Å; G1009-L1045 WeakPolarHBondContact CA-O 3.41Å; G1009-L1045 PolarHBondContact N-O 3.13Å; G1009-L1045 WeakPolarHBondContact O-CB 3.17Å; G1009-L1045 PolarHBondContact O-N 2.81Å | ||
| 1046 | V | 56.8 | Low | 66.8 | Low | 106 Ų | 106 | 81 Ų | 81 | 64% | 0.642 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 150.7 | -178.7 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | C1008 G1009 | C1008-V1046 CarbonylContact C-O 3.59Å; C1008-V1046 VanDerWaalsContact CA-O 3.27Å; C1008-V1046 WeakPolarHBondContact CA-O 3.34Å; C1008-V1046 WeakPolarHBondContact CB-O 3.49Å; G1009-V1046 PolarHBondContact N-O 3.19Å |
| 1047 | L | 53.2 | Low | 66.7 | Low | 136 Ų | 136 | 80.4 Ų | 80.4 | 71% | 0.712 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 146.4 | 179.9 | -74.5 | 154.3 | 0 | 0 | 0 | 112.2 | ||
| 1048 | C | 65.3 | Low | 66.4 | Low | 62 Ų | 62 | 84.5 Ų | 84.5 | 42% | 0.419 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 154.5 | 179.4 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | C1008 | C1008-C1048 HydrophobicContact CB-CB 4.05Å; C1008-C1048 WeakPolarHBondContact CB-SG 3.41Å; C1008-C1048 WeakPolarHBondContact SG-CB 3.26Å; C1008-C1048 CovalentContact SG-SG 2.05Å; C1008-C1048 PolarHBondContact SG-SG 2.93Å |
| 1049 | P | 72.7 | Confident | 66.4 | Low | 25 Ų | 25 | 83.1 Ų | 83.1 | 16% | 0.162 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 160.4 | 178.1 | 30.5 | -36.4 | 0 | 0 | 0 | 113 | I1075 Y1076 A1087 | P1049-I1075 WeakPolarHBondContact CA-O 3.44Å; P1049-I1075 WeakPolarHBondContact CB-O 3.27Å; P1049-Y1076 HydrophobicContact CB-CD1 3.69Å; P1049-Y1076 HydrophobicContact CB-CD2 4.39Å; P1049-Y1076 HydrophobicContact CB-CE1 3.84Å; P1049-Y1076 HydrophobicContact CB-CG 3.97Å; P1049-Y1076 HydrophobicContact CG-CD1 4.06Å; P1049-Y1076 HydrophobicContact CG-CE1 3.68Å; P1049-A1087 HydrophobicContact CG-CB 4.39Å; P1049-A1087 VanDerWaalsContact CG-O 3.29Å; P1049-A1087 WeakPolarHBondContact CG-O 3.31Å |
| 1050 | E | 69.9 | Low | 66.4 | Low | 114 Ų | 114 | 83.6 Ų | 83.6 | 53% | 0.533 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 161.2 | -165.5 | -155.7 | 169.2 | -147.4 | 0 | 0 | 112.6 | I1075 Q1077 C1088 | E1050-I1075 PolarHBondContact N-O 3.1Å; E1050-I1075 PolarHBondContact O-N 2.94Å; E1050-Q1077 PolarHBondContact OE2-NE2 2.71Å; E1050-C1088 PolarHBondContact O-SG 3.48Å |
| 1051 | W | 76 | Confident | 65.7 | Low | 48 Ų | 48 | 80.6 Ų | 80.6 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.6 | -179 | -65.9 | 105.4 | 0 | 0 | 0 | 112 | V1072 R1073 C1074 C1088 D1089 E1090 K1093 P1094 | W1051-V1072 HydrophobicContact CE3-CG1 4.11Å; W1051-R1073 CarbonylContact C-O 3.59Å; W1051-R1073 WeakPolarHBondContact CA-O 3.37Å; W1051-C1074 HydrophobicContact CD2-CB 4.43Å; W1051-C1074 HydrophobicContact CE3-CB 3.88Å; W1051-C1074 HydrophobicContact CH2-CB 4.24Å; W1051-C1074 HydrophobicContact CZ3-CB 3.78Å; W1051-C1088 HydrophobicContact CD2-CB 4.01Å; W1051-C1088 VanDerWaalsContact CE2-CB 3.48Å; W1051-C1088 HydrophobicContact CG-CB 4.4Å; W1051-C1088 HydrophobicContact CH2-CB 4.39Å; W1051-C1088 HydrophobicContact CZ2-CB 3.7Å; W1051-D1089 PolarHBondContact NE1-O 3.21Å; W1051-E1090 WeakPolarHBondContact CH2-OE1 3.27Å; W1051-K1093 HydrophobicContact CD2-CB 4.29Å; W1051-K1093 HydrophobicContact CD2-CG 4.23Å; W1051-K1093 HydrophobicContact CE3-CG 4.31Å; W1051-K1093 HydrophobicContact CH2-CD 3.78Å; W1051-K1093 HydrophobicContact CH2-CG 4.11Å; W1051-K1093 HydrophobicContact CZ2-CB 3.97Å; W1051-K1093 HydrophobicContact CZ2-CD 3.89Å; W1051-K1093 HydrophobicContact CZ2-CG 4.02Å; W1051-K1093 HydrophobicContact CZ3-CD 4.25Å; W1051-K1093 HydrophobicContact CZ3-CG 4.25Å; W1051-P1094 HydrophobicContact CB-CG 4.49Å |
| 1052 | E | 56.2 | Low | 65.6 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 135.6 | 173.5 | -165.3 | 179.8 | -122.7 | 0 | 0 | 111.5 | R1073 I1075 | E1052-R1073 PolarHBondContact N-O 3.33Å; E1052-R1073 PolarHBondContact O-N 3.39Å; E1052-I1075 HydrophobicContact CB-CD1 3.79Å; E1052-I1075 HydrophobicContact CB-CG1 4.07Å; E1052-I1075 HydrophobicContact CG-CD1 4.28Å |
| 1053 | L | 59.8 | Low | 65.3 | Low | 72 Ų | 72 | 79.9 Ų | 79.9 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.9 | 178.9 | -76 | 167.2 | 0 | 0 | 0 | 110.2 | V1072 P1094 | L1053-V1072 HydrophobicContact CD2-CG1 4.18Å; L1053-V1072 HydrophobicContact CD2-CG2 3.73Å; L1053-P1094 HydrophobicContact CD1-CB 4.14Å; L1053-P1094 HydrophobicContact CD1-CG 4.02Å; L1053-P1094 HydrophobicContact CD2-CB 3.61Å; L1053-P1094 HydrophobicContact CD2-CG 3.84Å; L1053-P1094 HydrophobicContact CG-CB 4.21Å; L1053-P1094 HydrophobicContact CG-CG 3.98Å |
| 1054 | G | 66.5 | Low | 64.8 | Low | 19 Ų | 19 | 80.9 Ų | 80.9 | 20% | 0.196 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 163.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1070 V1071 | G1054-R1070 WeakPolarHBondContact O-CB 3.42Å; G1054-R1070 WeakPolarHBondContact O-CD 3.47Å; G1054-V1071 WeakPolarHBondContact CA-O 3.45Å; G1054-V1071 PolarHBondContact N-O 3.47Å |
| 1055 | P | 68.3 | Low | 64.9 | Low | 119 Ų | 119 | 80.4 Ų | 80.4 | 77% | 0.773 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 157.4 | 178 | 29.5 | -35.7 | 0 | 0 | 0 | 112.2 | R1070 | P1055-R1070 WeakPolarHBondContact O-CB 3.49Š|
| 1056 | W | 69.7 | Low | 65.6 | Low | 70 Ų | 70 | 77.2 Ų | 77.2 | 27% | 0.265 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 134.9 | 175 | -68.3 | 108.8 | 0 | 0 | 0 | 111.8 | Q1068 K1069 R1070 D1097 R1098 Q1099 | W1056-Q1068 HydrophobicContact CB-CB 4.28Å; W1056-Q1068 HydrophobicContact CD2-CB 4.47Å; W1056-Q1068 HydrophobicContact CE3-CB 3.88Å; W1056-K1069 CarbonylContact C-O 3.58Å; W1056-K1069 WeakPolarHBondContact CA-O 3.44Å; W1056-R1070 HydrophobicContact CD2-CB 4.1Å; W1056-R1070 HydrophobicContact CD2-CG 4.07Å; W1056-R1070 HydrophobicContact CE3-CB 3.92Å; W1056-R1070 HydrophobicContact CE3-CG 3.87Å; W1056-R1070 HydrophobicContact CH2-CG 3.89Å; W1056-R1070 HydrophobicContact CZ2-CG 4.12Å; W1056-R1070 VanDerWaalsContact CZ2-CZ 3.4Å; W1056-R1070 HydrophobicContact CZ3-CB 4.27Å; W1056-R1070 HydrophobicContact CZ3-CG 3.77Å; W1056-D1097 VanDerWaalsContact CZ3-O 3.27Å; W1056-D1097 WeakPolarHBondContact CZ3-O 3.17Å; W1056-R1098 VanDerWaalsContact CH2-C 3.45Å; W1056-Q1099 HydrophobicContact CE3-CB 4.3Å; W1056-Q1099 HydrophobicContact CH2-CB 3.5Å; W1056-Q1099 VanDerWaalsContact CH2-CB 3.5Å; W1056-Q1099 HydrophobicContact CZ2-CB 3.76Å; W1056-Q1099 HydrophobicContact CZ3-CB 3.78Å |
| 1057 | E | 70.8 | Confident | 66.4 | Low | 103 Ų | 103 | 77.6 Ų | 77.6 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 151.4 | 166.5 | -69.2 | 176.4 | 174.2 | 0 | 0 | 110.8 | Q1068 K1069 | E1057-Q1068 WeakPolarHBondContact O-CB 3.26Å; E1057-Q1068 VanDerWaalsContact O-CD 3.27Å; E1057-Q1068 WeakPolarHBondContact O-CG 3.47Å; E1057-Q1068 PolarHBondContact O-NE2 2.75Å; E1057-K1069 HydrophobicContact CG-CB 4.48Å; E1057-K1069 PolarHBondContact N-O 2.81Å |
| 1058 | P | 66.4 | Low | 67.1 | Low | 117 Ų | 117 | 73.3 Ų | 73.3 | 76% | 0.76 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 152.3 | 177.2 | -26.7 | 35.7 | 0 | 0 | 0 | 113.7 | S1060 | P1058-S1060 PolarHBondContact O-N 2.74Š|
| 1059 | C | 72 | Confident | 67.2 | Low | 28 Ų | 28 | 75 Ų | 75 | 19% | 0.189 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 134 | 179.4 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | V1061 Q1068 C1101 | C1059-V1061 PolarHBondContact O-N 2.98Å; C1059-Q1068 HydrophobicContact CB-CG 4.37Å; C1059-C1101 VanDerWaalsContact CA-SG 3.54Å; C1059-C1101 HydrophobicContact CB-CB 3.97Å; C1059-C1101 WeakPolarHBondContact CB-SG 3.42Å; C1059-C1101 WeakPolarHBondContact SG-CB 3.46Å; C1059-C1101 CovalentContact SG-SG 2.04Å; C1059-C1101 PolarHBondContact SG-SG 2.04Å |
| 1060 | S | 75.4 | Confident | 66.3 | Low | 84 Ų | 84 | 76.2 Ų | 76.2 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -66.2 | -6.3 | -174.2 | 68.5 | 0 | 0 | 0 | 0 | 115.6 | P1058 G1066 Q1067 | P1058-S1060 PolarHBondContact O-N 2.74Å; S1060-G1066 WeakPolarHBondContact OG-CA 3.42Å; S1060-Q1067 PolarHBondContact N-O 2.58Å; S1060-Q1067 PolarHBondContact OG-N 3.12Å |
| 1061 | V | 63.4 | Low | 66.3 | Low | 53 Ų | 53 | 74.7 Ų | 74.7 | 32% | 0.321 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -137.8 | 159.5 | 172.7 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | C1059 C1063 V1065 Q1103 | C1059-V1061 PolarHBondContact O-N 2.98Å; V1061-C1063 VanDerWaalsContact CG2-O 3.28Å; V1061-C1063 WeakPolarHBondContact CG2-O 3.31Å; V1061-V1065 WeakPolarHBondContact CG2-O 3.27Å; V1061-Q1103 PolarHBondContact O-OE1 3.06Å; V1061-Q1103 VanDerWaalsContact O-OE1 3.07Å |
| 1062 | T | 63.9 | Low | 66.1 | Low | 129 Ų | 129 | 74.3 Ų | 74.3 | 79% | 0.791 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -101.1 | -4.6 | -178.3 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | Q1103 | T1062-Q1103 VanDerWaalsContact CA-OE1 3.23Å; T1062-Q1103 PolarHBondContact O-OE1 2.88Å |
| 1063 | C | 62.6 | Low | 66.8 | Low | 96 Ų | 96 | 76.1 Ų | 76.1 | 65% | 0.649 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -155.5 | 151.6 | 168.8 | 61.5 | 0 | 0 | 0 | 0 | 109.3 | V1061 | V1061-C1063 VanDerWaalsContact CG2-O 3.28Å; V1061-C1063 WeakPolarHBondContact CG2-O 3.31Å |
| 1064 | G | 54.9 | Low | 67.4 | Low | 35 Ų | 35 | 73.2 Ų | 73.2 | 36% | 0.361 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.7 | -154.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1102 Q1103 | G1064-V1102 VanDerWaalsContact O-CA 3.28Å; G1064-V1102 WeakPolarHBondContact O-CA 3.39Å; G1064-Q1103 PolarHBondContact N-O 2.89Å; G1064-Q1103 PolarHBondContact O-N 3.15Å; G1064-Q1103 VanDerWaalsContact O-N 3.08Å |
| 1065 | V | 60.4 | Low | 67.4 | Low | 101 Ų | 101 | 73.2 Ų | 73.2 | 61% | 0.612 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.6 | -168.8 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | V1061 V1100 C1101 V1102 | V1061-V1065 WeakPolarHBondContact CG2-O 3.27Å; V1065-V1100 HydrophobicContact CG1-CG1 3.57Å; V1065-C1101 CarbonylContact C-O 3.18Å; V1065-C1101 WeakPolarHBondContact CA-O 3.43Å; V1065-V1102 HydrophobicContact CB-CG2 4.5Å; V1065-V1102 HydrophobicContact CG1-CG2 4.32Å; V1065-V1102 HydrophobicContact CG2-CG1 4.04Å; V1065-V1102 HydrophobicContact CG2-CG2 4.03Å |
| 1066 | G | 72.8 | Confident | 67.2 | Low | 6 Ų | 6 | 72.8 Ų | 72.8 | 6% | 0.062 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | -167.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1060 V1100 C1101 | S1060-G1066 WeakPolarHBondContact OG-CA 3.42Å; G1066-V1100 WeakPolarHBondContact O-CA 3.24Å; G1066-V1100 WeakPolarHBondContact O-CG1 3.09Å; G1066-C1101 PolarHBondContact N-O 2.8Å; G1066-C1101 PolarHBondContact O-N 3.27Å; G1066-C1101 PolarHBondContact O-SG 2.97Å |
| 1067 | Q | 75 | Confident | 66.7 | Low | 114 Ų | 114 | 74.8 Ų | 74.8 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 160.2 | 176.9 | -65.6 | -176.3 | 2.3 | 0 | 0 | 112.6 | S1060 Q1099 V1100 C1101 | S1060-Q1067 PolarHBondContact N-O 2.58Å; S1060-Q1067 PolarHBondContact OG-N 3.12Å; Q1067-Q1099 CarbonylContact C-O 3.56Å; Q1067-Q1099 VanDerWaalsContact CA-O 3.3Å; Q1067-Q1099 WeakPolarHBondContact CA-O 3.38Å; Q1067-V1100 HydrophobicContact CG-CG2 4.41Å; Q1067-C1101 PolarHBondContact N-SG 3.25Å |
| 1068 | Q | 67 | Low | 66 | Low | 45 Ų | 45 | 76.9 Ų | 76.9 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157.4 | 176.2 | -62.2 | -174.3 | -33.6 | 0 | 0 | 110.3 | W1056 E1057 C1059 R1098 Q1099 C1101 | W1056-Q1068 HydrophobicContact CB-CB 4.28Å; W1056-Q1068 HydrophobicContact CD2-CB 4.47Å; W1056-Q1068 HydrophobicContact CE3-CB 3.88Å; E1057-Q1068 WeakPolarHBondContact O-CB 3.26Å; E1057-Q1068 VanDerWaalsContact O-CD 3.27Å; E1057-Q1068 WeakPolarHBondContact O-CG 3.47Å; E1057-Q1068 PolarHBondContact O-NE2 2.75Å; C1059-Q1068 HydrophobicContact CB-CG 4.37Å; Q1068-R1098 WeakPolarHBondContact O-CA 3.44Å; Q1068-Q1099 PolarHBondContact N-O 3.16Å; Q1068-Q1099 PolarHBondContact O-N 3.25Å; Q1068-C1101 HydrophobicContact CG-CB 4.3Å |
| 1069 | K | 67.6 | Low | 65.4 | Low | 98 Ų | 98 | 75.1 Ų | 75.1 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 159.7 | 175.3 | -57.2 | 176.8 | -167.1 | 151.8 | 0 | 112.7 | W1056 E1057 D1097 R1098 | W1056-K1069 CarbonylContact C-O 3.58Å; W1056-K1069 WeakPolarHBondContact CA-O 3.44Å; E1057-K1069 HydrophobicContact CG-CB 4.48Å; E1057-K1069 PolarHBondContact N-O 2.81Å; K1069-D1097 CarbonylContact C-O 3.58Å; K1069-D1097 WeakPolarHBondContact CA-O 3.23Å; K1069-R1098 HydrophobicContact CG-CG 4.12Å |
| 1070 | R | 52.8 | Low | 64.7 | Low | 50 Ų | 50 | 83.5 Ų | 83.5 | 19% | 0.189 | 44% | 0.44 | C | S | . | . | trans | -145.8 | 162.1 | 171.1 | 64.3 | 177.4 | 173.2 | -174.6 | -3.2 | 113 | G1054 P1055 W1056 T1096 D1097 | G1054-R1070 WeakPolarHBondContact O-CB 3.42Å; G1054-R1070 WeakPolarHBondContact O-CD 3.47Å; P1055-R1070 WeakPolarHBondContact O-CB 3.49Å; W1056-R1070 HydrophobicContact CD2-CB 4.1Å; W1056-R1070 HydrophobicContact CD2-CG 4.07Å; W1056-R1070 HydrophobicContact CE3-CB 3.92Å; W1056-R1070 HydrophobicContact CE3-CG 3.87Å; W1056-R1070 HydrophobicContact CH2-CG 3.89Å; W1056-R1070 HydrophobicContact CZ2-CG 4.12Å; W1056-R1070 VanDerWaalsContact CZ2-CZ 3.4Å; W1056-R1070 HydrophobicContact CZ3-CB 4.27Å; W1056-R1070 HydrophobicContact CZ3-CG 3.77Å; R1070-T1096 PolarHBondContact NE-O 2.99Å; R1070-T1096 VanDerWaalsContact NE-O 3.09Å; R1070-T1096 PolarHBondContact NH2-O 2.8Å; R1070-T1096 VanDerWaalsContact NH2-O 3.11Å; R1070-D1097 PolarHBondContact N-O 2.9Å | ||
| 1071 | V | 70.9 | Confident | 64.1 | Low | 82 Ų | 82 | 84 Ų | 84 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | trans | -103.3 | 140.5 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | G1054 R1073 | G1054-V1071 WeakPolarHBondContact CA-O 3.45Å; G1054-V1071 PolarHBondContact N-O 3.47Å; V1071-R1073 HydrophobicContact CG1-CG 4.31Å | ||
| 1072 | V | 71.2 | Confident | 64 | Low | 40 Ų | 40 | 85.8 Ų | 85.8 | 24% | 0.242 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.5 | 178.2 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | W1051 L1053 | W1051-V1072 HydrophobicContact CE3-CG1 4.11Å; L1053-V1072 HydrophobicContact CD2-CG1 4.18Å; L1053-V1072 HydrophobicContact CD2-CG2 3.73Å |
| 1073 | R | 71.7 | Confident | 63.8 | Low | 137 Ų | 137 | 80.2 Ų | 80.2 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 150.9 | -178.2 | -58.3 | -176 | -172.8 | 128.7 | 1.1 | 112.2 | W1051 E1052 V1071 | W1051-R1073 CarbonylContact C-O 3.59Å; W1051-R1073 WeakPolarHBondContact CA-O 3.37Å; E1052-R1073 PolarHBondContact N-O 3.33Å; E1052-R1073 PolarHBondContact O-N 3.39Å; V1071-R1073 HydrophobicContact CG1-CG 4.31Å |
| 1074 | C | 72.4 | Confident | 63.7 | Low | 12 Ų | 12 | 84.1 Ų | 84.1 | 8% | 0.081 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.6 | 172.5 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | W1051 A1083 C1088 | W1051-C1074 HydrophobicContact CD2-CB 4.43Å; W1051-C1074 HydrophobicContact CE3-CB 3.88Å; W1051-C1074 HydrophobicContact CH2-CB 4.24Å; W1051-C1074 HydrophobicContact CZ3-CB 3.78Å; C1074-A1083 PolarHBondContact O-N 3.43Å; C1074-C1088 VanDerWaalsContact CA-SG 3.6Å; C1074-C1088 HydrophobicContact CB-CB 3.76Å; C1074-C1088 WeakPolarHBondContact CB-SG 3.4Å; C1074-C1088 WeakPolarHBondContact SG-CB 3.42Å; C1074-C1088 PolarHBondContact SG-N 3.23Å; C1074-C1088 CovalentContact SG-SG 2.02Å; C1074-C1088 PolarHBondContact SG-SG 2.9Å |
| 1075 | I | 66.2 | Low | 63.5 | Low | 19 Ų | 19 | 88 Ų | 88 | 10% | 0.097 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 149.2 | -178.6 | 49.6 | 167.8 | 0 | 0 | 0 | 112.6 | P1049 E1050 E1052 V1082 | P1049-I1075 WeakPolarHBondContact CA-O 3.44Å; P1049-I1075 WeakPolarHBondContact CB-O 3.27Å; E1050-I1075 PolarHBondContact N-O 3.1Å; E1050-I1075 PolarHBondContact O-N 2.94Å; E1052-I1075 HydrophobicContact CB-CD1 3.79Å; E1052-I1075 HydrophobicContact CB-CG1 4.07Å; E1052-I1075 HydrophobicContact CG-CD1 4.28Å; I1075-V1082 HydrophobicContact CG2-CG2 4.38Å |
| 1076 | Y | 63.9 | Low | 63.6 | Low | 110 Ų | 110 | 86.6 Ų | 86.6 | 43% | 0.431 | 46% | 0.46 | S | S | . | . | trans | -81.3 | 122.8 | 164.3 | -68.8 | -88.1 | 0 | 0 | 0 | 109.6 | P1049 D1078 S1079 R1080 A1083 | P1049-Y1076 HydrophobicContact CB-CD1 3.69Å; P1049-Y1076 HydrophobicContact CB-CD2 4.39Å; P1049-Y1076 HydrophobicContact CB-CE1 3.84Å; P1049-Y1076 HydrophobicContact CB-CG 3.97Å; P1049-Y1076 HydrophobicContact CG-CD1 4.06Å; P1049-Y1076 HydrophobicContact CG-CE1 3.68Å; Y1076-D1078 PolarHBondContact O-N 3.37Å; Y1076-S1079 PolarHBondContact O-N 3.13Å; Y1076-S1079 VanDerWaalsContact O-N 3.11Å; Y1076-R1080 PolarHBondContact O-N 3.12Å; Y1076-A1083 HydrophobicContact CD2-CB 3.71Å; Y1076-A1083 HydrophobicContact CE2-CB 3.42Å; Y1076-A1083 VanDerWaalsContact CE2-CB 3.42Å | ||
| 1077 | Q | 58.4 | Low | 62.9 | Low | 111 Ų | 111 | 88.1 Ų | 88.1 | 52% | 0.519 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -48.2 | -173.7 | -70.2 | -171.9 | -6.3 | 0 | 0 | 113.2 | E1050 S1079 | E1050-Q1077 PolarHBondContact OE2-NE2 2.71Å; Q1077-S1079 VanDerWaalsContact C-N 3.28Å; Q1077-S1079 PolarHBondContact O-N 3.48Å |
| 1078 | D | 56.9 | Low | 62.5 | Low | 148 Ų | 148 | 83 Ų | 83 | 79% | 0.791 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.3 | -177 | -73.6 | -27.2 | 0 | 0 | 0 | 114.4 | Y1076 | Y1076-D1078 PolarHBondContact O-N 3.37Š|
| 1079 | S | 54.5 | Low | 62.4 | Low | 79 Ų | 79 | 85 Ų | 85 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -24.5 | -167.2 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | Y1076 Q1077 V1081 | Y1076-S1079 PolarHBondContact O-N 3.13Å; Y1076-S1079 VanDerWaalsContact O-N 3.11Å; Q1077-S1079 VanDerWaalsContact C-N 3.28Å; Q1077-S1079 PolarHBondContact O-N 3.48Å; S1079-V1081 PolarHBondContact O-N 3.48Å |
| 1080 | R | 56.5 | Low | 62.3 | Low | 204 Ų | 204 | 85.8 Ų | 85.8 | 77% | 0.77 | 47% | 0.467 | S | S | * | . | trans | 51.6 | 11.6 | -167.7 | -71.3 | -176.2 | 167.6 | 177.2 | -4 | 115.4 | Y1076 | Y1076-R1080 PolarHBondContact O-N 3.12Š| ||
| 1081 | V | 62.6 | Low | 62.7 | Low | 94 Ų | 94 | 91.5 Ų | 91.5 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 128.1 | 170.4 | 177 | 0 | 0 | 0 | 0 | 107.7 | S1079 A1083 | S1079-V1081 PolarHBondContact O-N 3.48Å; V1081-A1083 PolarHBondContact O-N 3.21Å |
| 1082 | V | 61.9 | Low | 62.2 | Low | 92 Ų | 92 | 93.2 Ų | 93.2 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | B | Isolated β-bridge | trans | -60.2 | 118.6 | 171.8 | -178 | 0 | 0 | 0 | 0 | 107.8 | I1075 | I1075-V1082 HydrophobicContact CG2-CG2 4.38Å |
| 1083 | A | 58.8 | Low | 62 | Low | 11 Ų | 11 | 95.1 Ų | 95.1 | 9% | 0.091 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 149.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | C1074 Y1076 V1081 A1087 | C1074-A1083 PolarHBondContact O-N 3.43Å; Y1076-A1083 HydrophobicContact CD2-CB 3.71Å; Y1076-A1083 HydrophobicContact CE2-CB 3.42Å; Y1076-A1083 VanDerWaalsContact CE2-CB 3.42Å; V1081-A1083 PolarHBondContact O-N 3.21Å; A1083-A1087 HydrophobicContact CB-CB 3.6Å |
| 1084 | E | 61.1 | Low | 61.5 | Low | 178 Ų | 178 | 90.6 Ų | 90.6 | 83% | 0.832 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 148.9 | 177.8 | -65.6 | -172.4 | 132.5 | 0 | 0 | 111.3 | G1086 A1087 | E1084-G1086 PolarHBondContact O-N 2.65Å; E1084-A1087 WeakPolarHBondContact O-CB 3.45Å; E1084-A1087 PolarHBondContact O-N 3.13Å |
| 1085 | A | 51.3 | Low | 61 | Low | 117 Ų | 117 | 96.8 Ų | 96.8 | 97% | 0.967 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 110.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1086 | G | 61.9 | Low | 60.8 | Low | 71 Ų | 71 | 99.4 Ų | 99.4 | 73% | 0.732 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.9 | -6.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1084 | E1084-G1086 PolarHBondContact O-N 2.65Š|
| 1087 | A | 58.8 | Low | 60.7 | Low | 38 Ų | 38 | 97.3 Ų | 97.3 | 31% | 0.314 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -75.6 | -27.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1049 A1083 E1084 | P1049-A1087 HydrophobicContact CG-CB 4.39Å; P1049-A1087 VanDerWaalsContact CG-O 3.29Å; P1049-A1087 WeakPolarHBondContact CG-O 3.31Å; A1083-A1087 HydrophobicContact CB-CB 3.6Å; E1084-A1087 WeakPolarHBondContact O-CB 3.45Å; E1084-A1087 PolarHBondContact O-N 3.13Å |
| 1088 | C | 66.8 | Low | 61.4 | Low | 8 Ų | 8 | 98.5 Ų | 98.5 | 5% | 0.054 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -100.3 | 146.2 | 171.1 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | E1050 W1051 C1074 E1090 | E1050-C1088 PolarHBondContact O-SG 3.48Å; W1051-C1088 HydrophobicContact CD2-CB 4.01Å; W1051-C1088 VanDerWaalsContact CE2-CB 3.48Å; W1051-C1088 HydrophobicContact CG-CB 4.4Å; W1051-C1088 HydrophobicContact CH2-CB 4.39Å; W1051-C1088 HydrophobicContact CZ2-CB 3.7Å; C1074-C1088 VanDerWaalsContact CA-SG 3.6Å; C1074-C1088 HydrophobicContact CB-CB 3.76Å; C1074-C1088 WeakPolarHBondContact CB-SG 3.4Å; C1074-C1088 WeakPolarHBondContact SG-CB 3.42Å; C1074-C1088 PolarHBondContact SG-N 3.23Å; C1074-C1088 CovalentContact SG-SG 2.02Å; C1074-C1088 PolarHBondContact SG-SG 2.9Å; C1088-E1090 PolarHBondContact O-N 2.94Å |
| 1089 | D | 64.3 | Low | 61.9 | Low | 86 Ų | 86 | 96.3 Ų | 96.3 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | trans | -67.1 | 115.6 | 176.7 | 175.3 | 17 | 0 | 0 | 0 | 111.8 | W1051 M1091 N1092 | W1051-D1089 PolarHBondContact NE1-O 3.21Å; D1089-M1091 PolarHBondContact O-N 2.03Å; D1089-M1091 WeakPolarHBondContact OD1-CB 3.03Å; D1089-M1091 WeakPolarHBondContact OD1-CG 3.18Å; D1089-M1091 PolarHBondContact OD1-N 3.49Å; D1089-N1092 PolarHBondContact O-N 3.09Å; D1089-N1092 PolarHBondContact OD2-ND2 2.99Å | ||
| 1090 | E | 64.8 | Low | 62.8 | Low | 114 Ų | 114 | 96.8 Ų | 96.8 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -59.4 | -24.1 | 177.2 | -76 | -84.4 | 135.7 | 0 | 0 | 113 | W1051 C1088 N1092 K1093 | W1051-E1090 WeakPolarHBondContact CH2-OE1 3.27Å; C1088-E1090 PolarHBondContact O-N 2.94Å; E1090-N1092 PolarHBondContact O-N 3.26Å; E1090-K1093 VanDerWaalsContact CD-CD 3.48Å; E1090-K1093 WeakPolarHBondContact O-CB 3.31Å; E1090-K1093 PolarHBondContact O-N 3.25Å; E1090-K1093 WeakPolarHBondContact OE1-CD 3.02Å; E1090-K1093 IonicContact OE1-NZ 3.21Å; E1090-K1093 PolarHBondContact OE1-NZ 2.88Å; E1090-K1093 VanDerWaalsContact OE2-CD 3.22Å; E1090-K1093 WeakPolarHBondContact OE2-CD 3.03Å; E1090-K1093 IonicContact OE2-NZ 2.68Å; E1090-K1093 PolarHBondContact OE2-NZ 3.47Å |
| 1091 | M | 61.7 | Low | 63.3 | Low | 171 Ų | 171 | 87.9 Ų | 87.9 | 84% | 0.842 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -62.9 | -29 | 174.8 | -66.8 | -82.2 | -72.5 | 0 | 0 | 112.4 | D1089 | D1089-M1091 PolarHBondContact O-N 2.03Å; D1089-M1091 WeakPolarHBondContact OD1-CB 3.03Å; D1089-M1091 WeakPolarHBondContact OD1-CG 3.18Å; D1089-M1091 PolarHBondContact OD1-N 3.49Å |
| 1092 | N | 61.1 | Low | 63.3 | Low | 117 Ų | 117 | 88.4 Ų | 88.4 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -96.3 | 9.6 | -178.7 | -74.5 | -68.9 | 0 | 0 | 0 | 113.1 | D1089 E1090 P1094 | D1089-N1092 PolarHBondContact O-N 3.09Å; D1089-N1092 PolarHBondContact OD2-ND2 2.99Å; E1090-N1092 PolarHBondContact O-N 3.26Å; N1092-P1094 WeakPolarHBondContact O-CD 3.27Å |
| 1093 | K | 66.8 | Low | 62.8 | Low | 81 Ų | 81 | 88.1 Ų | 88.1 | 35% | 0.352 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -76.1 | 119.2 | -178.2 | -173.4 | 172.7 | 175.9 | 175.7 | 0 | 111 | W1051 E1090 V1095 | W1051-K1093 HydrophobicContact CD2-CB 4.29Å; W1051-K1093 HydrophobicContact CD2-CG 4.23Å; W1051-K1093 HydrophobicContact CE3-CG 4.31Å; W1051-K1093 HydrophobicContact CH2-CD 3.78Å; W1051-K1093 HydrophobicContact CH2-CG 4.11Å; W1051-K1093 HydrophobicContact CZ2-CB 3.97Å; W1051-K1093 HydrophobicContact CZ2-CD 3.89Å; W1051-K1093 HydrophobicContact CZ2-CG 4.02Å; W1051-K1093 HydrophobicContact CZ3-CD 4.25Å; W1051-K1093 HydrophobicContact CZ3-CG 4.25Å; E1090-K1093 VanDerWaalsContact CD-CD 3.48Å; E1090-K1093 WeakPolarHBondContact O-CB 3.31Å; E1090-K1093 PolarHBondContact O-N 3.25Å; E1090-K1093 WeakPolarHBondContact OE1-CD 3.02Å; E1090-K1093 IonicContact OE1-NZ 3.21Å; E1090-K1093 PolarHBondContact OE1-NZ 2.88Å; E1090-K1093 VanDerWaalsContact OE2-CD 3.22Å; E1090-K1093 WeakPolarHBondContact OE2-CD 3.03Å; E1090-K1093 IonicContact OE2-NZ 2.68Å; E1090-K1093 PolarHBondContact OE2-NZ 3.47Å; K1093-V1095 PolarHBondContact O-N 2.89Å |
| 1094 | P | 61.4 | Low | 61.9 | Low | 41 Ų | 41 | 90.5 Ų | 90.5 | 27% | 0.266 | 52% | 0.516 | S | S | . | . | trans | -58.4 | 122.2 | -176.7 | -29 | 37.1 | 0 | 0 | 0 | 113.5 | W1051 L1053 N1092 T1096 | W1051-P1094 HydrophobicContact CB-CG 4.49Å; L1053-P1094 HydrophobicContact CD1-CB 4.14Å; L1053-P1094 HydrophobicContact CD1-CG 4.02Å; L1053-P1094 HydrophobicContact CD2-CB 3.61Å; L1053-P1094 HydrophobicContact CD2-CG 3.84Å; L1053-P1094 HydrophobicContact CG-CB 4.21Å; L1053-P1094 HydrophobicContact CG-CG 3.98Å; N1092-P1094 WeakPolarHBondContact O-CD 3.27Å; P1094-T1096 VanDerWaalsContact C-N 3.35Å; P1094-T1096 PolarHBondContact O-N 3.01Å | ||
| 1095 | V | 61.7 | Low | 60.7 | Low | 142 Ų | 142 | 88.3 Ų | 88.3 | 86% | 0.861 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -70.1 | -22.9 | -163.6 | -175.3 | 0 | 0 | 0 | 0 | 114.5 | K1093 | K1093-V1095 PolarHBondContact O-N 2.89Š|
| 1096 | T | 60.6 | Low | 60 | Low | 75 Ų | 75 | 88.3 Ų | 88.3 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | trans | -113.5 | 106.5 | -170.4 | 53 | 0 | 0 | 0 | 0 | 114.1 | R1070 P1094 R1098 | R1070-T1096 PolarHBondContact NE-O 2.99Å; R1070-T1096 VanDerWaalsContact NE-O 3.09Å; R1070-T1096 PolarHBondContact NH2-O 2.8Å; R1070-T1096 VanDerWaalsContact NH2-O 3.11Å; P1094-T1096 VanDerWaalsContact C-N 3.35Å; P1094-T1096 PolarHBondContact O-N 3.01Å; T1096-R1098 VanDerWaalsContact C-N 3.35Å | ||
| 1097 | D | 62.5 | Low | 58.6 | Low | 66 Ų | 66 | 90.7 Ų | 90.7 | 35% | 0.353 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -82.4 | -10.7 | 168.2 | 77.3 | -44.5 | 0 | 0 | 0 | 113.1 | W1056 K1069 R1070 | W1056-D1097 VanDerWaalsContact CZ3-O 3.27Å; W1056-D1097 WeakPolarHBondContact CZ3-O 3.17Å; K1069-D1097 CarbonylContact C-O 3.58Å; K1069-D1097 WeakPolarHBondContact CA-O 3.23Å; R1070-D1097 PolarHBondContact N-O 2.9Å |
| 1098 | R | 72.9 | Confident | 57.4 | Low | 135 Ų | 135 | 93.8 Ų | 93.8 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.2 | -170.7 | -83.5 | 164.8 | 158.5 | 99.5 | -14.9 | 112 | W1056 Q1068 K1069 T1096 | W1056-R1098 VanDerWaalsContact CH2-C 3.45Å; Q1068-R1098 WeakPolarHBondContact O-CA 3.44Å; K1069-R1098 HydrophobicContact CG-CG 4.12Å; T1096-R1098 VanDerWaalsContact C-N 3.35Å |
| 1099 | Q | 67.9 | Low | 55.4 | Low | 103 Ų | 103 | 102.5 Ų | 102.5 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -145.1 | 151.9 | 177 | -180 | 168.7 | -21.4 | 0 | 0 | 111.4 | W1056 Q1067 Q1068 | W1056-Q1099 HydrophobicContact CE3-CB 4.3Å; W1056-Q1099 HydrophobicContact CH2-CB 3.5Å; W1056-Q1099 VanDerWaalsContact CH2-CB 3.5Å; W1056-Q1099 HydrophobicContact CZ2-CB 3.76Å; W1056-Q1099 HydrophobicContact CZ3-CB 3.78Å; Q1067-Q1099 CarbonylContact C-O 3.56Å; Q1067-Q1099 VanDerWaalsContact CA-O 3.3Å; Q1067-Q1099 WeakPolarHBondContact CA-O 3.38Å; Q1068-Q1099 PolarHBondContact N-O 3.16Å; Q1068-Q1099 PolarHBondContact O-N 3.25Å |
| 1100 | V | 74.4 | Confident | 53.4 | Low | 88 Ų | 88 | 107.8 Ų | 107.8 | 53% | 0.533 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 139.5 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 110 | V1065 G1066 Q1067 | V1065-V1100 HydrophobicContact CG1-CG1 3.57Å; G1066-V1100 WeakPolarHBondContact O-CA 3.24Å; G1066-V1100 WeakPolarHBondContact O-CG1 3.09Å; Q1067-V1100 HydrophobicContact CG-CG2 4.41Å |
| 1101 | C | 65.5 | Low | 51.5 | Low | 18 Ų | 18 | 108.2 Ų | 108.2 | 12% | 0.122 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.6 | 152 | -178.8 | 48.5 | 0 | 0 | 0 | 0 | 111 | C1059 V1065 G1066 Q1067 Q1068 | C1059-C1101 VanDerWaalsContact CA-SG 3.54Å; C1059-C1101 HydrophobicContact CB-CB 3.97Å; C1059-C1101 WeakPolarHBondContact CB-SG 3.42Å; C1059-C1101 WeakPolarHBondContact SG-CB 3.46Å; C1059-C1101 CovalentContact SG-SG 2.04Å; C1059-C1101 PolarHBondContact SG-SG 2.04Å; V1065-C1101 CarbonylContact C-O 3.18Å; V1065-C1101 WeakPolarHBondContact CA-O 3.43Å; G1066-C1101 PolarHBondContact N-O 2.8Å; G1066-C1101 PolarHBondContact O-N 3.27Å; G1066-C1101 PolarHBondContact O-SG 2.97Å; Q1067-C1101 PolarHBondContact N-SG 3.25Å; Q1068-C1101 HydrophobicContact CG-CB 4.3Å |
| 1102 | V | 62.8 | Low | 49.8 | Very low | 104 Ų | 104 | 109.1 Ų | 109.1 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -141.5 | 139 | 179.2 | -164 | 0 | 0 | 0 | 0 | 110.6 | G1064 V1065 | G1064-V1102 VanDerWaalsContact O-CA 3.28Å; G1064-V1102 WeakPolarHBondContact O-CA 3.39Å; V1065-V1102 HydrophobicContact CB-CG2 4.5Å; V1065-V1102 HydrophobicContact CG1-CG2 4.32Å; V1065-V1102 HydrophobicContact CG2-CG1 4.04Å; V1065-V1102 HydrophobicContact CG2-CG2 4.03Å |
| 1103 | Q | 52.2 | Low | 47.8 | Very low | 86 Ų | 86 | 109 Ų | 109 | 40% | 0.402 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.7 | 179 | -72.4 | 178.5 | -64.8 | 0 | 0 | 113.2 | V1061 T1062 G1064 | V1061-Q1103 PolarHBondContact O-OE1 3.06Å; V1061-Q1103 VanDerWaalsContact O-OE1 3.07Å; T1062-Q1103 VanDerWaalsContact CA-OE1 3.23Å; T1062-Q1103 PolarHBondContact O-OE1 2.88Å; G1064-Q1103 PolarHBondContact N-O 2.89Å; G1064-Q1103 PolarHBondContact O-N 3.15Å; G1064-Q1103 VanDerWaalsContact O-N 3.08Å |
| 1104 | A | 39.5 | Very low | 45.8 | Very low | 61 Ų | 61 | 111.9 Ų | 111.9 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | trans | -130.5 | -165.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T3 | T3-A1104 HydrophobicContact CG2-CB 4.2Š| ||
| 1105 | V | 36.3 | Very low | 44 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 80% | 0.8 | 62% | 0.617 | S | S | * | * | trans | -129.5 | 145.8 | -158.4 | -170.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1106 | L | 35.9 | Very low | 42.3 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | trans | -74.8 | 164.7 | 176.5 | -66.8 | 166.4 | 0 | 0 | 0 | 112.1 | ||||
| 1107 | P | 33.2 | Very low | 40.7 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 79% | 0.786 | 60% | 0.602 | S | S | * | * | cis | -127.6 | -154.6 | 14.9 | 44.4 | -26 | 0 | 0 | 0 | 112 | ||||
| 1108 | S | 33.6 | Very low | 39.1 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | cis | -158.4 | 142.5 | 7.6 | 53 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1109 | F | 24.5 | Very low | 36.9 | Very low | 190 Ų | 190 | 122 Ų | 122 | 83% | 0.833 | 63% | 0.629 | S | S | * | * | trans | 59.3 | 119.6 | 145.1 | -135.1 | -110.6 | 0 | 0 | 0 | 122.4 | ||||
| 1110 | R | 23.5 | Very low | 35.1 | Very low | 197 Ų | 197 | 123.6 Ų | 123.6 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | 101.8 | 130 | 139.9 | -121.6 | -167.7 | 163.1 | 159.2 | 3.7 | 121.3 | ||||
| 1111 | D | 23.9 | Very low | 32.8 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 66% | 0.658 | 65% | 0.652 | S | S | * | * | trans | 68.3 | 139.5 | 154.2 | -59.8 | -31.3 | 0 | 0 | 0 | 121.6 | ||||
| 1112 | F | 25 | Very low | 30.8 | Very low | 190 Ų | 190 | 129.3 Ų | 129.3 | 83% | 0.833 | 68% | 0.682 | S | S | * | * | trans | 68.6 | 124.2 | 162.9 | -119 | -95.6 | 0 | 0 | 0 | 120.1 | ||||
| 1113 | I | 20.5 | Very low | 29.1 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 60% | 0.595 | 68% | 0.683 | S | S | * | * | cis | -164.4 | 150.1 | -31.1 | -130.6 | 170 | 0 | 0 | 0 | 108.1 | ||||
| 1114 | L | 23.3 | Very low | 27.6 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | 13.8 | 120 | 158.8 | -60.7 | 149.8 | 0 | 0 | 0 | 119.3 | ||||
| 1115 | K | 24.9 | Very low | 26.9 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 78% | 0.778 | 71% | 0.709 | S | S | * | * | 171.9 | 130.8 | 110.5 | -95.6 | 160.7 | -174.2 | 174.3 | 0 | 116.3 | |||||
| 1116 | F | 26 | Very low | 26.2 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 70% | 0.697 | 70% | 0.703 | S | S | * | * | trans | 58.4 | 124.4 | 159.4 | -60 | -64.7 | 0 | 0 | 0 | 118 | ||||
| 1117 | C | 27.7 | Very low | 25.6 | Very low | 46 Ų | 46 | 140.7 Ų | 140.7 | 31% | 0.311 | 72% | 0.718 | S | S | . | * | cis | 63.5 | 76 | 27.7 | -51.2 | 0 | 0 | 0 | 0 | 115.2 | D9 | D9-C1117 PolarHBondContact OD1-SG 3.28Š| ||
| 1118 | I | 28.4 | Very low | 25.1 | Very low | 159 Ų | 159 | 140 Ų | 140 | 82% | 0.815 | 72% | 0.716 | S | S | * | * | 39.8 | 134 | 108.1 | -61.1 | 173.7 | 0 | 0 | 0 | 117.8 | |||||
| 1119 | Q | 26.4 | Very low | 25 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 60% | 0.598 | 72% | 0.717 | S | S | * | * | trans | 68.5 | 97.6 | 168.4 | -80.6 | -169.1 | -40.3 | 0 | 0 | 119.1 | D1121 | Q1119-D1121 HydrophobicContact CB-CB 4.2Å; Q1119-D1121 HydrophobicContact CG-CB 3.98Å; Q1119-D1121 WeakPolarHBondContact CG-OD2 3.43Å; Q1119-D1121 PolarHBondContact NE2-OD2 3.26Å; Q1119-D1121 PolarHBondContact O-N 3.03Å | ||
| 1120 | P | 29.2 | Very low | 25.1 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | trans | -83.2 | 36.7 | 145 | 36.8 | -34 | 0 | 0 | 0 | 112.2 | C1122 | P1120-C1122 PolarHBondContact O-N 3.39Å; P1120-C1122 VanDerWaalsContact O-N 3.08Å | ||
| 1121 | D | 27.2 | Very low | 25.1 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | trans | -82 | 80.7 | 177.3 | -94.4 | -45.5 | 0 | 0 | 0 | 111.1 | Q1119 | Q1119-D1121 HydrophobicContact CB-CB 4.2Å; Q1119-D1121 HydrophobicContact CG-CB 3.98Å; Q1119-D1121 WeakPolarHBondContact CG-OD2 3.43Å; Q1119-D1121 PolarHBondContact NE2-OD2 3.26Å; Q1119-D1121 PolarHBondContact O-N 3.03Å | ||
| 1122 | C | 23.6 | Very low | 25 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | -165.5 | 102.2 | 134.5 | -102.9 | 0 | 0 | 0 | 0 | 114 | P1120 | P1120-C1122 PolarHBondContact O-N 3.39Å; P1120-C1122 VanDerWaalsContact O-N 3.08Å | ||
| 1123 | S | 25.5 | Very low | 25.1 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | 60.2 | 121.5 | 106.7 | -58.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1124 | L | 21.9 | Very low | 25.2 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | 97.3 | 138.1 | 123.6 | -80.2 | 169.7 | 0 | 0 | 0 | 121 | |||||
| 1125 | L | 24.1 | Very low | 25.2 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | trans | 69.9 | 76.5 | 159.2 | -60.2 | 162 | 0 | 0 | 0 | 115.1 | ||||
| 1126 | I | 21.7 | Very low | 25.2 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 67% | 0.672 | 72% | 0.721 | S | S | * | * | 55.9 | 99.4 | 64.3 | -45.6 | 163.4 | 0 | 0 | 0 | 111.7 | |||||
| 1127 | Y | 24.2 | Very low | 25.3 | Very low | 235 Ų | 235 | 124.5 Ų | 124.5 | 92% | 0.922 | 73% | 0.729 | S | S | * | * | trans | -146 | 122.6 | 137.9 | -110 | -73.2 | 0 | 0 | 0 | 110.8 | ||||
| 1128 | S | 23 | Very low | 25.4 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -101.1 | 147.4 | 176.5 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1129 | S | 29.5 | Very low | 25.4 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -161 | 135.5 | 161.7 | 68.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1130 | V | 27.6 | Very low | 25.6 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.655 | 75% | 0.754 | S | S | * | * | S | Bend | cis | -132.7 | 163.4 | -2.2 | -176.4 | 0 | 0 | 0 | 0 | 109 | P1172 | V1130-P1172 HydrophobicContact CG2-CG 3.89Š|
| 1131 | S | 24.3 | Very low | 25.7 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | 89.8 | 70 | 165.4 | 88.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 1132 | G | 20.8 | Very low | 26 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -66.6 | 123.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1133 | P | 27.6 | Very low | 26.5 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -74.5 | 141.7 | 169.8 | 31.1 | -33.1 | 0 | 0 | 0 | 110.6 | S1135 | P1133-S1135 PolarHBondContact O-N 3.47Š| ||
| 1134 | M | 21.9 | Very low | 27.1 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | 6.3 | 103.1 | 162 | -63.8 | 175.9 | 173.1 | 0 | 0 | 118.6 | ||||
| 1135 | S | 24.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | -159.7 | 123.6 | 125.5 | -76.9 | 0 | 0 | 0 | 0 | 106.6 | P1133 | P1133-S1135 PolarHBondContact O-N 3.47Š| |||
| 1136 | L | 24.9 | Very low | 29.2 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | cis | 60.1 | 132.4 | 43.3 | -93.7 | 164.4 | 0 | 0 | 0 | 112.9 | ||||
| 1137 | V | 27.2 | Very low | 29.9 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | 68.4 | 119.9 | -166.4 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1138 | D | 29 | Very low | 30.3 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | cis | -140.2 | 127.6 | -7.1 | -176.5 | 33 | 0 | 0 | 0 | 106.6 | ||||
| 1139 | G | 28.8 | Very low | 30.7 | Very low | 50 Ų | 50 | 133.4 Ų | 133.4 | 52% | 0.515 | 76% | 0.763 | S | S | . | * | 125.1 | 171.8 | 80.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1140 | R | 32 | Very low | 30.5 | Very low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | 66.3 | 135.6 | 179.6 | -55.9 | 176.9 | -174.9 | -176.5 | 2.4 | 114.5 | ||||
| 1141 | N | 30.5 | Very low | 30.1 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | cis | -158.3 | 143.7 | -1.2 | -114.1 | -20.5 | 0 | 0 | 0 | 112.6 | ||||
| 1142 | R | 33.9 | Very low | 30 | Very low | 226 Ų | 226 | 143.4 Ų | 143.4 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 42.1 | 111.6 | 135.6 | -59.9 | 166.7 | 178.6 | -172.1 | -4.4 | 120.5 | ||||
| 1143 | S | 33.2 | Very low | 30.1 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -166.3 | 128 | 120.2 | -169.9 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1144 | S | 39.1 | Very low | 30 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | cis | 98.3 | 108.3 | 22 | 83 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1145 | T | 48.9 | Very low | 30 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | 170.5 | 158.7 | 141.4 | 29.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1146 | L | 41.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 63.2 | 151.6 | -178.9 | -81.2 | 66.4 | 0 | 0 | 0 | 117 | ||||
| 1147 | R | 36.7 | Very low | 30.3 | Very low | 230 Ų | 230 | 144.3 Ų | 144.3 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | cis | 96.8 | 119.8 | -12.6 | -57.5 | -170 | 170.1 | -160.8 | -3.2 | 123.4 | ||||
| 1148 | S | 31.6 | Very low | 30.2 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 74.9 | 160.3 | 145.3 | -53.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1149 | P | 30.8 | Very low | 30.1 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | -135.2 | 170.9 | -56 | 40.4 | -25.7 | 0 | 0 | 0 | 113.9 | |||||
| 1150 | M | 25.2 | Very low | 30.4 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | 163.5 | -177.6 | 147.6 | -89.1 | -64.2 | 165.2 | 0 | 0 | 115.4 | ||||
| 1151 | L | 21 | Very low | 30.3 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -81.2 | 158.9 | -159.8 | -82.7 | 75 | 0 | 0 | 0 | 119.9 | ||||
| 1152 | R | 20.9 | Very low | 30.8 | Very low | 215 Ų | 215 | 144.9 Ų | 144.9 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | 61.2 | 134.5 | 140.2 | -80 | -176.8 | 172.5 | -173.6 | -2.4 | 122.9 | ||||
| 1153 | T | 24.3 | Very low | 31 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | 59.3 | 145.6 | 145.3 | 51.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1154 | S | 23.9 | Very low | 31.7 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | cis | -176.8 | 140.4 | -30.3 | 45.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1155 | I | 22.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | trans | 72.5 | 108.1 | 163.9 | -60.3 | 172 | 0 | 0 | 0 | 118.2 | ||||
| 1156 | V | 23.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 46.1 | 98.3 | 141.6 | -169.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1157 | S | 33.7 | Very low | 35 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | trans | -143.1 | 151.1 | 134.4 | -79.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1158 | K | 24.4 | Very low | 37 | Very low | 205 Ų | 205 | 123.6 Ų | 123.6 | 89% | 0.891 | 70% | 0.704 | S | S | * | * | trans | -107.4 | 113.9 | -168.9 | -69.8 | -179.2 | 177.2 | 179 | 0 | 112.2 | ||||
| 1159 | A | 27 | Very low | 39.1 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 84% | 0.835 | 68% | 0.684 | S | S | * | * | trans | -138.7 | 152.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1160 | V | 35.6 | Very low | 41.3 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | trans | -120.8 | 122.1 | -164.1 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1161 | D | 30 | Very low | 43.6 | Very low | 152 Ų | 152 | 112.3 Ų | 112.3 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | trans | 29.3 | 132.1 | 172 | -92 | -58.4 | 0 | 0 | 0 | 121.6 | ||||
| 1162 | S | 39.3 | Very low | 46.1 | Very low | 121 Ų | 121 | 109.7 Ų | 109.7 | 85% | 0.846 | 63% | 0.63 | S | S | * | * | trans | -156 | 65 | -178.4 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1163 | N | 39.6 | Very low | 48.6 | Very low | 161 Ų | 161 | 102.9 Ų | 102.9 | 86% | 0.861 | 61% | 0.605 | S | S | * | * | trans | -146.3 | 53.5 | -179.5 | -151.6 | 4.9 | 0 | 0 | 0 | 113.7 | ||||
| 1164 | A | 46.2 | Very low | 50.9 | Low | 57 Ų | 57 | 100.2 Ų | 100.2 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | trans | -119.5 | 128.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1194 | A1164-V1194 HydrophobicContact CB-CG2 3.87Š| ||
| 1165 | P | 51.2 | Low | 52.9 | Low | 98 Ų | 98 | 103.5 Ų | 103.5 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | trans | -80 | 154.6 | -169.8 | 31.3 | -35.9 | 0 | 0 | 0 | 114 | ||||
| 1166 | T | 70.2 | Confident | 55.1 | Low | 28 Ų | 28 | 97.4 Ų | 97.4 | 17% | 0.172 | 56% | 0.564 | C | S | . | * | trans | -106.6 | 156.1 | 176.5 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | R1192 D1193 L1199 Y1203 H1206 | T1166-R1192 CarbonylContact C-O 2.93Å; T1166-R1192 VanDerWaalsContact CA-O 3.26Å; T1166-R1192 WeakPolarHBondContact CA-O 3.31Å; T1166-R1192 VanDerWaalsContact CB-O 3.32Å; T1166-R1192 WeakPolarHBondContact CB-O 3.42Å; T1166-D1193 HydrophobicContact CG2-CB 4.14Å; T1166-L1199 HydrophobicContact CG2-CD1 3.67Å; T1166-Y1203 PolarHBondContact OG1-O 2.98Å; T1166-H1206 PolarHBondContact O-NE2 2.98Å; T1166-H1206 VanDerWaalsContact O-NE2 3.1Å; T1166-H1206 PolarHBondContact OG1-CE1 2.83Å; T1166-H1206 PolarHBondContact OG1-NE2 3.2Å | ||
| 1167 | K | 77.3 | Confident | 57.1 | Low | 128 Ų | 128 | 95.6 Ų | 95.6 | 56% | 0.557 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -144.2 | 146.6 | -170.4 | 178 | -169 | 160.9 | -146.6 | 0 | 111.6 | E1169 R1192 C1204 | K1167-E1169 IonicContact NZ-OE1 3.4Å; K1167-E1169 PolarHBondContact NZ-OE1 2.98Å; K1167-E1169 VanDerWaalsContact NZ-OE1 3.13Å; K1167-R1192 PolarHBondContact N-O 2.84Å; K1167-R1192 PolarHBondContact O-N 3.41Å; K1167-C1204 VanDerWaalsContact C-SG 3.6Å |
| 1168 | W | 79.5 | Confident | 57.9 | Low | 31 Ų | 31 | 92.2 Ų | 92.2 | 12% | 0.117 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.3 | 164.6 | -67.6 | 110.7 | 0 | 0 | 0 | 111.5 | V1189 V1190 C1191 D1201 C1204 A1207 P1209 P1210 | W1168-V1189 HydrophobicContact CD2-CG1 4.49Å; W1168-V1189 HydrophobicContact CE3-CG1 3.84Å; W1168-V1189 HydrophobicContact CZ3-CG1 4.4Å; W1168-V1190 VanDerWaalsContact CE3-C 3.49Å; W1168-C1191 HydrophobicContact CE3-CB 4.18Å; W1168-C1191 HydrophobicContact CH2-CB 4.38Å; W1168-C1191 HydrophobicContact CZ3-CB 3.98Å; W1168-D1201 HydrophobicContact CH2-CB 3.74Å; W1168-C1204 HydrophobicContact CD2-CB 3.89Å; W1168-C1204 VanDerWaalsContact CE2-CB 3.45Å; W1168-C1204 HydrophobicContact CE3-CB 4.49Å; W1168-C1204 HydrophobicContact CG-CB 4.28Å; W1168-C1204 HydrophobicContact CH2-CB 4.37Å; W1168-C1204 HydrophobicContact CZ2-CB 3.72Å; W1168-C1204 PolarHBondContact NE1-O 3.16Å; W1168-A1207 PolarHBondContact NE1-O 2.57Å; W1168-P1209 HydrophobicContact CD2-CB 4.03Å; W1168-P1209 HydrophobicContact CE3-CB 4.24Å; W1168-P1209 HydrophobicContact CH2-CB 4.11Å; W1168-P1209 HydrophobicContact CZ2-CB 3.9Å; W1168-P1209 HydrophobicContact CZ2-CG 4.24Å; W1168-P1209 HydrophobicContact CZ3-CB 4.27Å; W1168-P1210 HydrophobicContact CB-CG 4.43Å |
| 1169 | E | 74.9 | Confident | 59.4 | Low | 75 Ų | 75 | 88.3 Ų | 88.3 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.6 | 168.1 | -58.3 | -154.1 | 125.8 | 0 | 0 | 110.9 | K1167 V1189 V1190 R1192 | K1167-E1169 IonicContact NZ-OE1 3.4Å; K1167-E1169 PolarHBondContact NZ-OE1 2.98Å; K1167-E1169 VanDerWaalsContact NZ-OE1 3.13Å; E1169-V1189 WeakPolarHBondContact O-CA 3.5Å; E1169-V1190 PolarHBondContact N-O 2.87Å; E1169-V1190 PolarHBondContact O-N 3.1Å; E1169-R1192 WeakPolarHBondContact OE2-CD 3.27Å; E1169-R1192 IonicContact OE2-NH1 3.24Å; E1169-R1192 PolarHBondContact OE2-NH1 2.8Å |
| 1170 | T | 77.6 | Confident | 60.7 | Low | 56 Ų | 56 | 86.7 Ų | 86.7 | 34% | 0.344 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.2 | -179.4 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | R1187 L1188 V1189 P1210 | T1170-R1187 PolarHBondContact OG1-NH1 3.01Å; T1170-R1187 VanDerWaalsContact OG1-NH1 3.12Å; T1170-L1188 CarbonylContact C-O 3.55Å; T1170-L1188 WeakPolarHBondContact CA-O 3.43Å; T1170-V1189 HydrophobicContact CG2-CG1 4.39Å; T1170-V1189 HydrophobicContact CG2-CG2 4.12Å; T1170-P1210 HydrophobicContact CG2-CB 3.78Å; T1170-P1210 HydrophobicContact CG2-CG 3.86Å |
| 1171 | G | 72.8 | Confident | 61.6 | Low | 29 Ų | 29 | 81.6 Ų | 81.6 | 30% | 0.299 | 48% | 0.476 | S | S | . | . | trans | -68 | 176.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1188 | G1171-L1188 PolarHBondContact N-O 3.27Š| ||
| 1172 | P | 74 | Confident | 63.1 | Low | 78 Ų | 78 | 79.5 Ų | 79.5 | 51% | 0.506 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 154.9 | 171.5 | 28.6 | -34.6 | 0 | 0 | 0 | 111 | V1130 R1187 | V1130-P1172 HydrophobicContact CG2-CG 3.89Å; P1172-R1187 WeakPolarHBondContact O-CB 3.36Å |
| 1173 | W | 72.8 | Confident | 64.2 | Low | 73 Ų | 73 | 74.1 Ų | 74.1 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 144.8 | 167.5 | -67.8 | 111.5 | 0 | 0 | 0 | 111 | R1185 S1186 R1187 V1211 E1214 | W1173-R1185 HydrophobicContact CB-CG 4.41Å; W1173-R1185 HydrophobicContact CD2-CG 4.17Å; W1173-R1185 HydrophobicContact CE3-CB 4.4Å; W1173-R1185 HydrophobicContact CE3-CG 3.86Å; W1173-R1185 HydrophobicContact CG-CG 4.44Å; W1173-R1185 HydrophobicContact CZ3-CG 4.46Å; W1173-R1185 WeakPolarHBondContact CZ3-O 3.28Å; W1173-S1186 CarbonylContact C-O 3.49Å; W1173-S1186 WeakPolarHBondContact CA-O 3.28Å; W1173-S1186 VanDerWaalsContact CE3-C 3.46Å; W1173-R1187 HydrophobicContact CD2-CB 4.28Å; W1173-R1187 HydrophobicContact CD2-CG 4.08Å; W1173-R1187 HydrophobicContact CE3-CB 3.95Å; W1173-R1187 HydrophobicContact CE3-CG 3.76Å; W1173-R1187 HydrophobicContact CH2-CG 4.12Å; W1173-R1187 HydrophobicContact CZ2-CG 4.43Å; W1173-R1187 VanDerWaalsContact CZ2-NE 3.27Å; W1173-R1187 HydrophobicContact CZ3-CB 4.4Å; W1173-R1187 HydrophobicContact CZ3-CG 3.78Å; W1173-V1211 VanDerWaalsContact CH2-O 3.28Å; W1173-V1211 WeakPolarHBondContact CH2-O 3.39Å; W1173-E1214 HydrophobicContact CH2-CB 3.49Å; W1173-E1214 VanDerWaalsContact CH2-CB 3.49Å; W1173-E1214 HydrophobicContact CZ2-CB 3.91Å; W1173-E1214 HydrophobicContact CZ3-CB 3.82Å |
| 1174 | T | 72.5 | Confident | 65.8 | Low | 73 Ų | 73 | 72.5 Ų | 72.5 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -67 | 168.6 | 163.8 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | R1185 S1186 | T1174-R1185 WeakPolarHBondContact O-CB 3.28Å; T1174-S1186 WeakPolarHBondContact CG2-O 3.36Å; T1174-S1186 PolarHBondContact N-O 2.91Å; T1174-S1186 PolarHBondContact OG1-N 3.18Å |
| 1175 | E | 66.7 | Low | 67 | Low | 168 Ų | 168 | 74 Ų | 74 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 158.8 | 157.6 | -68.1 | -60 | 154.1 | 0 | 0 | 112.4 | ||
| 1176 | C | 67.7 | Low | 67.8 | Low | 33 Ų | 33 | 71.6 Ų | 71.6 | 22% | 0.223 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -72 | 139.5 | 173.1 | -161.6 | 0 | 0 | 0 | 0 | 110.7 | T1178 C1216 | C1176-T1178 PolarHBondContact O-N 3.3Å; C1176-T1178 VanDerWaalsContact O-N 3.08Å; C1176-C1216 VanDerWaalsContact CA-SG 3.53Å; C1176-C1216 HydrophobicContact CB-CB 4Å; C1176-C1216 WeakPolarHBondContact CB-SG 3.35Å; C1176-C1216 WeakPolarHBondContact SG-CB 3.44Å; C1176-C1216 CovalentContact SG-SG 2.04Å; C1176-C1216 PolarHBondContact SG-SG 3.11Å |
| 1177 | S | 66.8 | Low | 67.8 | Low | 83 Ų | 83 | 73.2 Ų | 73.2 | 58% | 0.58 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -66.3 | -10.8 | -175.4 | 68.5 | 0 | 0 | 0 | 0 | 115.2 | K1184 | S1177-K1184 VanDerWaalsContact CB-O 3.25Å; S1177-K1184 WeakPolarHBondContact CB-O 3.37Å; S1177-K1184 PolarHBondContact N-O 3.39Å; S1177-K1184 PolarHBondContact OG-N 3.35Å; S1177-K1184 PolarHBondContact OG-O 2.97Å |
| 1178 | T | 50.4 | Low | 67.8 | Low | 53 Ų | 53 | 73.1 Ų | 73.1 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | trans | -140.2 | 136.9 | 179.6 | 41.4 | 0 | 0 | 0 | 0 | 109.8 | C1176 C1180 E1182 G1183 | C1176-T1178 PolarHBondContact O-N 3.3Å; C1176-T1178 VanDerWaalsContact O-N 3.08Å; T1178-C1180 VanDerWaalsContact C-N 3.3Å; T1178-C1180 PolarHBondContact O-N 3Å; T1178-E1182 VanDerWaalsContact OG1-C 3.28Å; T1178-E1182 PolarHBondContact OG1-O 2.92Å; T1178-G1183 WeakPolarHBondContact OG1-CA 3.28Å; T1178-G1183 PolarHBondContact OG1-N 2.9Å | ||
| 1179 | N | 55.3 | Low | 67.9 | Low | 123 Ų | 123 | 73.1 Ų | 73.1 | 66% | 0.658 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -76.8 | -19.7 | -176.4 | -57.8 | 6.8 | 0 | 0 | 0 | 112.4 | S1218 | N1179-S1218 WeakPolarHBondContact O-CB 3.45Å; N1179-S1218 PolarHBondContact O-OG 3.23Å |
| 1180 | C | 54.7 | Low | 68.3 | Low | 67 Ų | 67 | 71.2 Ų | 71.2 | 45% | 0.453 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -142 | 143 | -178.2 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | T1178 | T1178-C1180 VanDerWaalsContact C-N 3.3Å; T1178-C1180 PolarHBondContact O-N 3Å |
| 1181 | G | 54.7 | Low | 68.4 | Low | 27 Ų | 27 | 68.6 Ų | 68.6 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.5 | -161.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1217 S1218 C1220 | G1181-S1217 CarbonylContact O-C 3.53Å; G1181-S1217 VanDerWaalsContact O-CA 3.29Å; G1181-S1217 WeakPolarHBondContact O-CA 3.43Å; G1181-S1218 PolarHBondContact N-O 2.85Å; G1181-S1218 PolarHBondContact O-N 3.43Å; G1181-C1220 PolarHBondContact N-SG 2.77Å |
| 1182 | E | 60.4 | Low | 68.7 | Low | 108 Ų | 108 | 71 Ų | 71 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 137.4 | 176.8 | -75.5 | -85.6 | 98.8 | 0 | 0 | 111.7 | T1178 K1215 C1216 S1217 | T1178-E1182 VanDerWaalsContact OG1-C 3.28Å; T1178-E1182 PolarHBondContact OG1-O 2.92Å; E1182-K1215 IonicContact OE2-NZ 2.9Å; E1182-K1215 PolarHBondContact OE2-NZ 3.01Å; E1182-C1216 CarbonylContact C-O 3.55Å; E1182-S1217 PolarHBondContact OE1-OG 2.04Å |
| 1183 | G | 62.1 | Low | 68.8 | Low | 8 Ų | 8 | 68.2 Ų | 68.2 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | -174.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1178 K1215 C1216 | T1178-G1183 WeakPolarHBondContact OG1-CA 3.28Å; T1178-G1183 PolarHBondContact OG1-N 2.9Å; G1183-K1215 WeakPolarHBondContact O-CA 3.49Å; G1183-C1216 PolarHBondContact N-O 3.4Å; G1183-C1216 PolarHBondContact O-N 3.27Å |
| 1184 | K | 73.9 | Confident | 68.6 | Low | 126 Ų | 126 | 68.5 Ų | 68.5 | 55% | 0.548 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145 | 178.8 | -58.4 | 174.1 | -171.9 | 170.7 | 0 | 110.8 | S1177 L1213 E1214 C1216 | S1177-K1184 VanDerWaalsContact CB-O 3.25Å; S1177-K1184 WeakPolarHBondContact CB-O 3.37Å; S1177-K1184 PolarHBondContact N-O 3.39Å; S1177-K1184 PolarHBondContact OG-N 3.35Å; S1177-K1184 PolarHBondContact OG-O 2.97Å; K1184-L1213 HydrophobicContact CB-CD2 4.05Å; K1184-L1213 HydrophobicContact CD-CD2 3.8Å; K1184-L1213 HydrophobicContact CG-CD2 4.3Å; K1184-E1214 CarbonylContact C-O 3.58Å; K1184-E1214 WeakPolarHBondContact CA-O 3.44Å; K1184-C1216 VanDerWaalsContact C-SG 3.55Å |
| 1185 | R | 71 | Confident | 68.4 | Low | 88 Ų | 88 | 72.5 Ų | 72.5 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 152.5 | 169 | 59.6 | -175.6 | -173.6 | -174.9 | -2.5 | 110.5 | W1173 T1174 L1213 E1214 | W1173-R1185 HydrophobicContact CB-CG 4.41Å; W1173-R1185 HydrophobicContact CD2-CG 4.17Å; W1173-R1185 HydrophobicContact CE3-CB 4.4Å; W1173-R1185 HydrophobicContact CE3-CG 3.86Å; W1173-R1185 HydrophobicContact CG-CG 4.44Å; W1173-R1185 HydrophobicContact CZ3-CG 4.46Å; W1173-R1185 WeakPolarHBondContact CZ3-O 3.28Å; T1174-R1185 WeakPolarHBondContact O-CB 3.28Å; R1185-L1213 CarbonylContact O-C 3.58Å; R1185-L1213 WeakPolarHBondContact O-CA 3.01Å; R1185-E1214 HydrophobicContact CG-CB 4.25Å; R1185-E1214 IonicContact CZ-OE2 3.38Å; R1185-E1214 PolarHBondContact N-O 3.21Å; R1185-E1214 IonicContact NE-OE2 3.91Å; R1185-E1214 PolarHBondContact NE-OE2 2.92Å; R1185-E1214 IonicContact NH2-OE2 3.25Å; R1185-E1214 PolarHBondContact NH2-OE2 3.24Å; R1185-E1214 PolarHBondContact O-N 2.95Å |
| 1186 | S | 68.6 | Low | 68.2 | Low | 48 Ų | 48 | 65.9 Ų | 65.9 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 163.4 | -175.8 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | W1173 T1174 G1212 | W1173-S1186 CarbonylContact C-O 3.49Å; W1173-S1186 WeakPolarHBondContact CA-O 3.28Å; W1173-S1186 VanDerWaalsContact CE3-C 3.46Å; T1174-S1186 WeakPolarHBondContact CG2-O 3.36Å; T1174-S1186 PolarHBondContact N-O 2.91Å; T1174-S1186 PolarHBondContact OG1-N 3.18Å; S1186-G1212 CarbonylContact C-O 3.51Å; S1186-G1212 WeakPolarHBondContact CA-O 3.04Å; S1186-G1212 WeakPolarHBondContact CB-O 3.48Å |
| 1187 | R | 70 | Confident | 68.2 | Low | 62 Ų | 62 | 71.5 Ų | 71.5 | 23% | 0.234 | 37% | 0.37 | C | S | . | . | trans | -150.8 | 148.9 | 173.1 | 61.3 | -176.2 | 173.6 | 166 | -7 | 111.7 | T1170 P1172 W1173 V1211 G1212 | T1170-R1187 PolarHBondContact OG1-NH1 3.01Å; T1170-R1187 VanDerWaalsContact OG1-NH1 3.12Å; P1172-R1187 WeakPolarHBondContact O-CB 3.36Å; W1173-R1187 HydrophobicContact CD2-CB 4.28Å; W1173-R1187 HydrophobicContact CD2-CG 4.08Å; W1173-R1187 HydrophobicContact CE3-CB 3.95Å; W1173-R1187 HydrophobicContact CE3-CG 3.76Å; W1173-R1187 HydrophobicContact CH2-CG 4.12Å; W1173-R1187 HydrophobicContact CZ2-CG 4.43Å; W1173-R1187 VanDerWaalsContact CZ2-NE 3.27Å; W1173-R1187 HydrophobicContact CZ3-CB 4.4Å; W1173-R1187 HydrophobicContact CZ3-CG 3.78Å; R1187-V1211 PolarHBondContact NE-O 3.38Å; R1187-V1211 PolarHBondContact NH2-O 3.28Å; R1187-G1212 PolarHBondContact N-O 2.87Å | ||
| 1188 | L | 77.3 | Confident | 68.3 | Low | 126 Ų | 126 | 72 Ų | 72 | 66% | 0.66 | 37% | 0.369 | S | S | * | . | trans | -68.9 | 140.5 | 172.4 | -177 | 62.9 | 0 | 0 | 0 | 110.4 | T1170 G1171 V1190 | T1170-L1188 CarbonylContact C-O 3.55Å; T1170-L1188 WeakPolarHBondContact CA-O 3.43Å; G1171-L1188 PolarHBondContact N-O 3.27Å; L1188-V1190 HydrophobicContact CD1-CG1 4.17Å; L1188-V1190 HydrophobicContact CD2-CG1 4.3Å; L1188-V1190 HydrophobicContact CG-CG1 4.09Å | ||
| 1189 | V | 82.5 | Confident | 69.3 | Low | 32 Ų | 32 | 71.5 Ų | 71.5 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.6 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | W1168 E1169 T1170 P1209 | W1168-V1189 HydrophobicContact CD2-CG1 4.49Å; W1168-V1189 HydrophobicContact CE3-CG1 3.84Å; W1168-V1189 HydrophobicContact CZ3-CG1 4.4Å; E1169-V1189 WeakPolarHBondContact O-CA 3.5Å; T1170-V1189 HydrophobicContact CG2-CG1 4.39Å; T1170-V1189 HydrophobicContact CG2-CG2 4.12Å; V1189-P1209 HydrophobicContact CG1-CB 4.17Å |
| 1190 | V | 82.1 | Confident | 70 | Confident | 35 Ų | 35 | 69.4 Ų | 69.4 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147.4 | -177.1 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | W1168 E1169 L1188 V1198 | W1168-V1190 VanDerWaalsContact CE3-C 3.49Å; E1169-V1190 PolarHBondContact N-O 2.87Å; E1169-V1190 PolarHBondContact O-N 3.1Å; L1188-V1190 HydrophobicContact CD1-CG1 4.17Å; L1188-V1190 HydrophobicContact CD2-CG1 4.3Å; L1188-V1190 HydrophobicContact CG-CG1 4.09Å; V1190-V1198 HydrophobicContact CB-CG1 4.47Å |
| 1191 | C | 79.9 | Confident | 70.6 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 135 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | W1168 V1198 L1199 Y1203 C1204 | W1168-C1191 HydrophobicContact CE3-CB 4.18Å; W1168-C1191 HydrophobicContact CH2-CB 4.38Å; W1168-C1191 HydrophobicContact CZ3-CB 3.98Å; C1191-V1198 WeakPolarHBondContact O-CA 3.41Å; C1191-L1199 PolarHBondContact O-N 2.76Å; C1191-Y1203 VanDerWaalsContact SG-C 3.58Å; C1191-C1204 WeakPolarHBondContact CA-SG 3.36Å; C1191-C1204 HydrophobicContact CB-CB 3.67Å; C1191-C1204 WeakPolarHBondContact CB-SG 3.07Å; C1191-C1204 WeakPolarHBondContact SG-CB 2.98Å; C1191-C1204 PolarHBondContact SG-N 2.93Å; C1191-C1204 VanDerWaalsContact SG-N 3.38Å; C1191-C1204 CovalentContact SG-SG 2.03Å; C1191-C1204 PolarHBondContact SG-SG 3.19Å |
| 1192 | R | 78.5 | Confident | 71.3 | Confident | 79 Ų | 79 | 76 Ų | 76 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.5 | 176.3 | -76.8 | 179.3 | 163.7 | -177.6 | -6.8 | 113.1 | T1166 K1167 E1169 G1196 R1197 V1198 | T1166-R1192 CarbonylContact C-O 2.93Å; T1166-R1192 VanDerWaalsContact CA-O 3.26Å; T1166-R1192 WeakPolarHBondContact CA-O 3.31Å; T1166-R1192 VanDerWaalsContact CB-O 3.32Å; T1166-R1192 WeakPolarHBondContact CB-O 3.42Å; K1167-R1192 PolarHBondContact N-O 2.84Å; K1167-R1192 PolarHBondContact O-N 3.41Å; E1169-R1192 WeakPolarHBondContact OE2-CD 3.27Å; E1169-R1192 IonicContact OE2-NH1 3.24Å; E1169-R1192 PolarHBondContact OE2-NH1 2.8Å; R1192-G1196 PolarHBondContact NE-O 2.04Å; R1192-R1197 VanDerWaalsContact CA-O 3.31Å; R1192-R1197 WeakPolarHBondContact CA-O 3.34Å; R1192-V1198 HydrophobicContact CG-CG2 4.28Å |
| 1193 | D | 76 | Confident | 71.9 | Confident | 20 Ų | 20 | 77.6 Ų | 77.6 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | trans | -86.6 | 172.9 | 162.7 | 68.6 | 10.9 | 0 | 0 | 0 | 112.5 | T1166 Y1195 G1196 R1197 L1199 | T1166-D1193 HydrophobicContact CG2-CB 4.14Å; D1193-Y1195 PolarHBondContact O-N 2.69Å; D1193-Y1195 VanDerWaalsContact O-N 3.09Å; D1193-Y1195 VanDerWaalsContact OD1-C 3.31Å; D1193-Y1195 WeakPolarHBondContact OD1-CA 3.41Å; D1193-Y1195 WeakPolarHBondContact OD1-CB 3.15Å; D1193-Y1195 PolarHBondContact OD1-N 2.82Å; D1193-G1196 PolarHBondContact O-N 3.24Å; D1193-G1196 PolarHBondContact OD1-N 3Å; D1193-G1196 VanDerWaalsContact OD1-N 3.12Å; D1193-R1197 PolarHBondContact N-O 2.85Å; D1193-R1197 WeakPolarHBondContact OD1-CB 3.47Å; D1193-R1197 PolarHBondContact OD1-N 2.68Å; D1193-R1197 IonicContact OD1-NE 2.94Å; D1193-R1197 IonicContact OD2-CZ 3.94Å; D1193-R1197 IonicContact OD2-NE 2.94Å; D1193-R1197 PolarHBondContact OD2-NE 3.46Å; D1193-R1197 IonicContact OD2-NH2 2.7Å; D1193-R1197 PolarHBondContact OD2-NH2 2.89Å; D1193-L1199 HydrophobicContact CB-CD1 4.04Å | ||
| 1194 | V | 69.6 | Low | 72.4 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 47% | 0.473 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -10.9 | 174.6 | -73.3 | 0 | 0 | 0 | 0 | 114.5 | A1164 | A1164-V1194 HydrophobicContact CB-CG2 3.87Š|
| 1195 | Y | 68.2 | Low | 72 | Confident | 157 Ų | 157 | 74.3 Ų | 74.3 | 62% | 0.616 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7 | 174.5 | -51.1 | -74.3 | 0 | 0 | 0 | 112.2 | D1193 R1197 | D1193-Y1195 PolarHBondContact O-N 2.69Å; D1193-Y1195 VanDerWaalsContact O-N 3.09Å; D1193-Y1195 VanDerWaalsContact OD1-C 3.31Å; D1193-Y1195 WeakPolarHBondContact OD1-CA 3.41Å; D1193-Y1195 WeakPolarHBondContact OD1-CB 3.15Å; D1193-Y1195 PolarHBondContact OD1-N 2.82Å; Y1195-R1197 PolarHBondContact O-N 2.99Å |
| 1196 | G | 63 | Low | 72.1 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | trans | 74.9 | 5.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1192 D1193 | R1192-G1196 PolarHBondContact NE-O 2.04Å; D1193-G1196 PolarHBondContact O-N 3.24Å; D1193-G1196 PolarHBondContact OD1-N 3Å; D1193-G1196 VanDerWaalsContact OD1-N 3.12Å | ||
| 1197 | R | 66.3 | Low | 71.7 | Confident | 152 Ų | 152 | 76.5 Ų | 76.5 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | trans | -74 | 129.1 | -179.8 | -60.7 | -179.2 | -64.6 | -162.6 | 0.4 | 109 | R1192 D1193 Y1195 L1199 | R1192-R1197 VanDerWaalsContact CA-O 3.31Å; R1192-R1197 WeakPolarHBondContact CA-O 3.34Å; D1193-R1197 PolarHBondContact N-O 2.85Å; D1193-R1197 WeakPolarHBondContact OD1-CB 3.47Å; D1193-R1197 PolarHBondContact OD1-N 2.68Å; D1193-R1197 IonicContact OD1-NE 2.94Å; D1193-R1197 IonicContact OD2-CZ 3.94Å; D1193-R1197 IonicContact OD2-NE 2.94Å; D1193-R1197 PolarHBondContact OD2-NE 3.46Å; D1193-R1197 IonicContact OD2-NH2 2.7Å; D1193-R1197 PolarHBondContact OD2-NH2 2.89Å; Y1195-R1197 PolarHBondContact O-N 2.99Å; R1197-L1199 PolarHBondContact O-N 3.49Å | ||
| 1198 | V | 70.6 | Confident | 71.5 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.7 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | V1190 C1191 R1192 | V1190-V1198 HydrophobicContact CB-CG1 4.47Å; C1191-V1198 WeakPolarHBondContact O-CA 3.41Å; R1192-V1198 HydrophobicContact CG-CG2 4.28Å |
| 1199 | L | 70.4 | Confident | 71.2 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 154.7 | 178.9 | -69.4 | 175.1 | 0 | 0 | 0 | 110.4 | T1166 C1191 D1193 R1197 Y1203 | T1166-L1199 HydrophobicContact CG2-CD1 3.67Å; C1191-L1199 PolarHBondContact O-N 2.76Å; D1193-L1199 HydrophobicContact CB-CD1 4.04Å; R1197-L1199 PolarHBondContact O-N 3.49Å; L1199-Y1203 HydrophobicContact CB-CD2 4.1Å; L1199-Y1203 HydrophobicContact CB-CG 4.28Å; L1199-Y1203 HydrophobicContact CD1-CG 4.22Å |
| 1200 | P | 70.1 | Confident | 70.9 | Confident | 79 Ų | 79 | 77.1 Ų | 77.1 | 51% | 0.513 | 43% | 0.429 | S | S | . | . | trans | -54.4 | 142.5 | 166.8 | -25.4 | 33.8 | 0 | 0 | 0 | 112.1 | V1202 Y1203 | P1200-V1202 HydrophobicContact CB-CG2 4.35Å; P1200-V1202 PolarHBondContact O-N 3.35Å; P1200-Y1203 HydrophobicContact CB-CD2 4.07Å; P1200-Y1203 HydrophobicContact CB-CE2 4.3Å; P1200-Y1203 HydrophobicContact CG-CD2 4.19Å; P1200-Y1203 HydrophobicContact CG-CE2 4.08Å; P1200-Y1203 WeakPolarHBondContact O-CB 3.43Å; P1200-Y1203 WeakPolarHBondContact O-CD2 3.49Å; P1200-Y1203 PolarHBondContact O-N 3.22Å | ||
| 1201 | D | 67.3 | Low | 70.5 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -50.4 | -29.9 | -175.2 | -65.2 | -18.3 | 0 | 0 | 0 | 114.9 | W1168 Y1203 C1204 | W1168-D1201 HydrophobicContact CH2-CB 3.74Å; D1201-Y1203 PolarHBondContact O-N 2.92Å; D1201-Y1203 VanDerWaalsContact O-N 3.12Å; D1201-C1204 PolarHBondContact O-N 2.03Å |
| 1202 | V | 69.3 | Low | 70.3 | Confident | 129 Ų | 129 | 81.5 Ų | 81.5 | 78% | 0.782 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -51.7 | -33.3 | 174.9 | -151.3 | 0 | 0 | 0 | 0 | 112.4 | P1200 C1204 | P1200-V1202 HydrophobicContact CB-CG2 4.35Å; P1200-V1202 PolarHBondContact O-N 3.35Å; V1202-C1204 VanDerWaalsContact C-N 3.29Å; V1202-C1204 PolarHBondContact O-N 3.29Å |
| 1203 | Y | 72.8 | Confident | 69.9 | Low | 141 Ų | 141 | 82.5 Ų | 82.5 | 55% | 0.553 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -78.5 | -3.5 | -179.8 | -68.6 | -82.8 | 0 | 0 | 0 | 114.3 | T1166 C1191 L1199 P1200 D1201 H1206 | T1166-Y1203 PolarHBondContact OG1-O 2.98Å; C1191-Y1203 VanDerWaalsContact SG-C 3.58Å; L1199-Y1203 HydrophobicContact CB-CD2 4.1Å; L1199-Y1203 HydrophobicContact CB-CG 4.28Å; L1199-Y1203 HydrophobicContact CD1-CG 4.22Å; P1200-Y1203 HydrophobicContact CB-CD2 4.07Å; P1200-Y1203 HydrophobicContact CB-CE2 4.3Å; P1200-Y1203 HydrophobicContact CG-CD2 4.19Å; P1200-Y1203 HydrophobicContact CG-CE2 4.08Å; P1200-Y1203 WeakPolarHBondContact O-CB 3.43Å; P1200-Y1203 WeakPolarHBondContact O-CD2 3.49Å; P1200-Y1203 PolarHBondContact O-N 3.22Å; D1201-Y1203 PolarHBondContact O-N 2.92Å; D1201-Y1203 VanDerWaalsContact O-N 3.12Å; Y1203-H1206 PolarHBondContact O-CE1 2.9Å; Y1203-H1206 VanDerWaalsContact O-CE1 3.26Å |
| 1204 | C | 73.9 | Confident | 69.9 | Low | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -118.9 | 13 | 173.9 | -71.4 | 0 | 0 | 0 | 0 | 113.3 | K1167 W1168 C1191 D1201 V1202 H1206 A1207 | K1167-C1204 VanDerWaalsContact C-SG 3.6Å; W1168-C1204 HydrophobicContact CD2-CB 3.89Å; W1168-C1204 VanDerWaalsContact CE2-CB 3.45Å; W1168-C1204 HydrophobicContact CE3-CB 4.49Å; W1168-C1204 HydrophobicContact CG-CB 4.28Å; W1168-C1204 HydrophobicContact CH2-CB 4.37Å; W1168-C1204 HydrophobicContact CZ2-CB 3.72Å; W1168-C1204 PolarHBondContact NE1-O 3.16Å; C1191-C1204 WeakPolarHBondContact CA-SG 3.36Å; C1191-C1204 HydrophobicContact CB-CB 3.67Å; C1191-C1204 WeakPolarHBondContact CB-SG 3.07Å; C1191-C1204 WeakPolarHBondContact SG-CB 2.98Å; C1191-C1204 PolarHBondContact SG-N 2.93Å; C1191-C1204 VanDerWaalsContact SG-N 3.38Å; C1191-C1204 CovalentContact SG-SG 2.03Å; C1191-C1204 PolarHBondContact SG-SG 3.19Å; D1201-C1204 PolarHBondContact O-N 2.03Å; V1202-C1204 VanDerWaalsContact C-N 3.29Å; V1202-C1204 PolarHBondContact O-N 3.29Å; C1204-H1206 PolarHBondContact O-N 2.84Å; C1204-A1207 PolarHBondContact O-N 3.02Å; C1204-A1207 VanDerWaalsContact O-O 3.05Å |
| 1205 | G | 65.5 | Low | 69.8 | Low | 64 Ų | 64 | 88.3 Ų | 88.3 | 66% | 0.66 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | A1207 | G1205-A1207 PolarHBondContact O-N 2.91Š|
| 1206 | H | 71.7 | Confident | 69.6 | Low | 135 Ų | 135 | 81.8 Ų | 81.8 | 63% | 0.625 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.1 | 169.8 | 40.3 | -89.2 | 0 | 0 | 0 | 114.4 | T1166 Y1203 C1204 | T1166-H1206 PolarHBondContact O-NE2 2.98Å; T1166-H1206 VanDerWaalsContact O-NE2 3.1Å; T1166-H1206 PolarHBondContact OG1-CE1 2.83Å; T1166-H1206 PolarHBondContact OG1-NE2 3.2Å; Y1203-H1206 PolarHBondContact O-CE1 2.9Å; Y1203-H1206 VanDerWaalsContact O-CE1 3.26Å; C1204-H1206 PolarHBondContact O-N 2.84Å |
| 1207 | A | 59.7 | Low | 69.1 | Low | 48 Ų | 48 | 84.8 Ų | 84.8 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -130.7 | 143.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1168 C1204 G1205 | W1168-A1207 PolarHBondContact NE1-O 2.57Å; C1204-A1207 PolarHBondContact O-N 3.02Å; C1204-A1207 VanDerWaalsContact O-O 3.05Å; G1205-A1207 PolarHBondContact O-N 2.91Å |
| 1208 | S | 66.5 | Low | 68.4 | Low | 105 Ų | 105 | 80.1 Ų | 80.1 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 133.1 | 170.5 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1209 | P | 70.9 | Confident | 67.7 | Low | 77 Ų | 77 | 85.4 Ų | 85.4 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 133.2 | 176.7 | 23 | -32.4 | 0 | 0 | 0 | 110.7 | W1168 V1189 | W1168-P1209 HydrophobicContact CD2-CB 4.03Å; W1168-P1209 HydrophobicContact CE3-CB 4.24Å; W1168-P1209 HydrophobicContact CH2-CB 4.11Å; W1168-P1209 HydrophobicContact CZ2-CB 3.9Å; W1168-P1209 HydrophobicContact CZ2-CG 4.24Å; W1168-P1209 HydrophobicContact CZ3-CB 4.27Å; V1189-P1209 HydrophobicContact CG1-CB 4.17Å |
| 1210 | P | 77.5 | Confident | 67.2 | Low | 50 Ų | 50 | 85.6 Ų | 85.6 | 33% | 0.325 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -58 | 151.1 | 176.7 | -27.2 | 35.3 | 0 | 0 | 0 | 112.9 | W1168 T1170 G1212 | W1168-P1210 HydrophobicContact CB-CG 4.43Å; T1170-P1210 HydrophobicContact CG2-CB 3.78Å; T1170-P1210 HydrophobicContact CG2-CG 3.86Å; P1210-G1212 PolarHBondContact O-N 2.88Å; P1210-G1212 VanDerWaalsContact O-N 3.12Å |
| 1211 | V | 71.9 | Confident | 67.3 | Low | 105 Ų | 105 | 82.6 Ų | 82.6 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 120.1 | -179.5 | -162.3 | 0 | 0 | 0 | 0 | 110.2 | W1173 R1187 L1213 | W1173-V1211 VanDerWaalsContact CH2-O 3.28Å; W1173-V1211 WeakPolarHBondContact CH2-O 3.39Å; R1187-V1211 PolarHBondContact NE-O 3.38Å; R1187-V1211 PolarHBondContact NH2-O 3.28Å; V1211-L1213 WeakPolarHBondContact CG1-O 3.41Å |
| 1212 | G | 76.2 | Confident | 67.7 | Low | 23 Ų | 23 | 85.7 Ų | 85.7 | 24% | 0.237 | 48% | 0.476 | C | S | . | . | trans | -93.6 | 6.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1186 R1187 P1210 | S1186-G1212 CarbonylContact C-O 3.51Å; S1186-G1212 WeakPolarHBondContact CA-O 3.04Å; S1186-G1212 WeakPolarHBondContact CB-O 3.48Å; R1187-G1212 PolarHBondContact N-O 2.87Å; P1210-G1212 PolarHBondContact O-N 2.88Å; P1210-G1212 VanDerWaalsContact O-N 3.12Å | ||
| 1213 | L | 70 | Confident | 68.4 | Low | 100 Ų | 100 | 81.1 Ų | 81.1 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 124 | -178.5 | -140.6 | 133.2 | 0 | 0 | 0 | 110.9 | K1184 R1185 V1211 | K1184-L1213 HydrophobicContact CB-CD2 4.05Å; K1184-L1213 HydrophobicContact CD-CD2 3.8Å; K1184-L1213 HydrophobicContact CG-CD2 4.3Å; R1185-L1213 CarbonylContact O-C 3.58Å; R1185-L1213 WeakPolarHBondContact O-CA 3.01Å; V1211-L1213 WeakPolarHBondContact CG1-O 3.41Å |
| 1214 | E | 75.8 | Confident | 68.6 | Low | 79 Ų | 79 | 79.5 Ų | 79.5 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.9 | -171.8 | -174.5 | -175.4 | -138 | 0 | 0 | 110.7 | W1173 K1184 R1185 | W1173-E1214 HydrophobicContact CH2-CB 3.49Å; W1173-E1214 VanDerWaalsContact CH2-CB 3.49Å; W1173-E1214 HydrophobicContact CZ2-CB 3.91Å; W1173-E1214 HydrophobicContact CZ3-CB 3.82Å; K1184-E1214 CarbonylContact C-O 3.58Å; K1184-E1214 WeakPolarHBondContact CA-O 3.44Å; R1185-E1214 HydrophobicContact CG-CB 4.25Å; R1185-E1214 IonicContact CZ-OE2 3.38Å; R1185-E1214 PolarHBondContact N-O 3.21Å; R1185-E1214 IonicContact NE-OE2 3.91Å; R1185-E1214 PolarHBondContact NE-OE2 2.92Å; R1185-E1214 IonicContact NH2-OE2 3.25Å; R1185-E1214 PolarHBondContact NH2-OE2 3.24Å; R1185-E1214 PolarHBondContact O-N 2.95Å |
| 1215 | K | 68.4 | Low | 68.7 | Low | 141 Ų | 141 | 82.3 Ų | 82.3 | 61% | 0.613 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 146.4 | 171.9 | -71.6 | -174.4 | 162.9 | -151.2 | 0 | 112.1 | E1182 G1183 | E1182-K1215 IonicContact OE2-NZ 2.9Å; E1182-K1215 PolarHBondContact OE2-NZ 3.01Å; G1183-K1215 WeakPolarHBondContact O-CA 3.49Å |
| 1216 | C | 63.3 | Low | 69.2 | Low | 20 Ų | 20 | 80.5 Ų | 80.5 | 14% | 0.135 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 150.6 | 176.8 | 41.8 | 0 | 0 | 0 | 0 | 109.6 | C1176 E1182 G1183 K1184 | C1176-C1216 VanDerWaalsContact CA-SG 3.53Å; C1176-C1216 HydrophobicContact CB-CB 4Å; C1176-C1216 WeakPolarHBondContact CB-SG 3.35Å; C1176-C1216 WeakPolarHBondContact SG-CB 3.44Å; C1176-C1216 CovalentContact SG-SG 2.04Å; C1176-C1216 PolarHBondContact SG-SG 3.11Å; E1182-C1216 CarbonylContact C-O 3.55Å; G1183-C1216 PolarHBondContact N-O 3.4Å; G1183-C1216 PolarHBondContact O-N 3.27Å; K1184-C1216 VanDerWaalsContact C-SG 3.55Å |
| 1217 | S | 52 | Low | 69.1 | Low | 92 Ų | 92 | 79.6 Ų | 79.6 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 126 | -171.6 | -31.6 | 0 | 0 | 0 | 0 | 110.5 | G1181 E1182 | G1181-S1217 CarbonylContact O-C 3.53Å; G1181-S1217 VanDerWaalsContact O-CA 3.29Å; G1181-S1217 WeakPolarHBondContact O-CA 3.43Å; E1182-S1217 PolarHBondContact OE1-OG 2.04Å |
| 1218 | S | 52.7 | Low | 69.8 | Low | 55 Ų | 55 | 81.1 Ų | 81.1 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 153.8 | -174.8 | -175 | 0 | 0 | 0 | 0 | 113.5 | N1179 G1181 C1220 | N1179-S1218 WeakPolarHBondContact O-CB 3.45Å; N1179-S1218 PolarHBondContact O-OG 3.23Å; G1181-S1218 PolarHBondContact N-O 2.85Å; G1181-S1218 PolarHBondContact O-N 3.43Å; S1218-C1220 PolarHBondContact O-SG 3.38Å |
| 1219 | R | 56.7 | Low | 70 | Confident | 203 Ų | 203 | 81.4 Ų | 81.4 | 77% | 0.766 | 44% | 0.435 | S | S | * | . | trans | -66.7 | 156.3 | -178.5 | -55.8 | -176.4 | -165.4 | -123.6 | 5.9 | 110.7 | L1251 | R1219-L1251 HydrophobicContact CB-CD1 4.28Å; R1219-L1251 HydrophobicContact CG-CD1 3.88Å | ||
| 1220 | C | 58.8 | Low | 69.6 | Low | 48 Ų | 48 | 83.2 Ų | 83.2 | 32% | 0.324 | 45% | 0.447 | S | S | . | . | trans | -139 | 139 | -171.9 | -56 | 0 | 0 | 0 | 0 | 111.6 | G1181 S1218 V1250 | G1181-C1220 PolarHBondContact N-SG 2.77Å; S1218-C1220 PolarHBondContact O-SG 3.38Å; C1220-V1250 HydrophobicContact CB-CG2 4.29Å; C1220-V1250 WeakPolarHBondContact O-CB 3.41Å; C1220-V1250 VanDerWaalsContact O-CG2 3.31Å; C1220-V1250 WeakPolarHBondContact O-CG2 3.45Å; C1220-V1250 PolarHBondContact O-N 2.75Å; C1220-V1250 VanDerWaalsContact O-N 3.09Å | ||
| 1221 | G | 73.3 | Confident | 68.8 | Low | 15 Ų | 15 | 83.8 Ų | 83.8 | 16% | 0.155 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 160.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1248 D1260 | G1221-I1248 CarbonylContact C-O 3.48Å; G1221-I1248 WeakPolarHBondContact CA-O 3.03Å; G1221-D1260 WeakPolarHBondContact CA-O 3.14Å; G1221-D1260 PolarHBondContact N-O 2.73Å |
| 1222 | R | 75.4 | Confident | 68 | Low | 170 Ų | 170 | 82.1 Ų | 82.1 | 64% | 0.642 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.6 | 173.3 | 171.4 | 178.6 | 175.5 | -176.8 | -0.2 | 109.9 | Q1224 I1248 V1250 C1261 | R1222-Q1224 PolarHBondContact O-N 3.35Å; R1222-I1248 PolarHBondContact N-O 2.85Å; R1222-I1248 VanDerWaalsContact O-CG1 3.27Å; R1222-I1248 WeakPolarHBondContact O-CG1 3.43Å; R1222-I1248 PolarHBondContact O-N 2.85Å; R1222-V1250 HydrophobicContact CB-CG2 3.71Å; R1222-C1261 PolarHBondContact N-SG 2.97Å |
| 1223 | W | 83.5 | Confident | 66.4 | Low | 32 Ų | 32 | 90.9 Ų | 90.9 | 12% | 0.121 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.7 | 168.4 | -61.1 | 111.2 | 0 | 0 | 0 | 111.7 | V1245 A1246 C1247 I1258 C1261 D1262 L1263 R1266 P1267 | W1223-V1245 HydrophobicContact CE3-CG1 3.94Å; W1223-V1245 HydrophobicContact CZ3-CG1 4.45Å; W1223-A1246 WeakPolarHBondContact CA-O 3.19Å; W1223-C1247 HydrophobicContact CE3-CB 4.3Å; W1223-C1247 HydrophobicContact CZ3-CB 4.09Å; W1223-I1258 HydrophobicContact CH2-CD1 4.13Å; W1223-I1258 HydrophobicContact CH2-CG1 3.52Å; W1223-I1258 HydrophobicContact CZ3-CD1 4.34Å; W1223-I1258 HydrophobicContact CZ3-CG1 3.92Å; W1223-C1261 HydrophobicContact CD2-CB 3.86Å; W1223-C1261 VanDerWaalsContact CE2-CB 3.41Å; W1223-C1261 HydrophobicContact CE3-CB 4.29Å; W1223-C1261 HydrophobicContact CG-CB 4.43Å; W1223-C1261 HydrophobicContact CH2-CB 3.95Å; W1223-C1261 HydrophobicContact CZ2-CB 3.46Å; W1223-C1261 VanDerWaalsContact CZ2-CB 3.46Å; W1223-C1261 HydrophobicContact CZ3-CB 4.34Å; W1223-D1262 PolarHBondContact NE1-O 3.3Å; W1223-L1263 HydrophobicContact CH2-CD2 4.15Å; W1223-L1263 HydrophobicContact CZ2-CD2 4.09Å; W1223-R1266 HydrophobicContact CD2-CG 4.41Å; W1223-R1266 HydrophobicContact CE3-CG 4.31Å; W1223-R1266 HydrophobicContact CH2-CB 4.04Å; W1223-R1266 HydrophobicContact CH2-CG 3.67Å; W1223-R1266 HydrophobicContact CZ2-CB 3.61Å; W1223-R1266 HydrophobicContact CZ2-CG 3.77Å; W1223-R1266 HydrophobicContact CZ3-CG 3.95Å; W1223-P1267 HydrophobicContact CB-CG 3.82Å; W1223-P1267 VanDerWaalsContact CG-CD 3.41Å; W1223-P1267 HydrophobicContact CG-CG 4.15Å |
| 1224 | Q | 78.1 | Confident | 65.4 | Low | 108 Ų | 108 | 88.4 Ų | 88.4 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138 | 165 | -177.3 | 161 | -75.7 | 0 | 0 | 109.7 | R1222 A1246 I1248 | R1222-Q1224 PolarHBondContact O-N 3.35Å; Q1224-A1246 PolarHBondContact N-O 3.18Å; Q1224-A1246 PolarHBondContact O-N 2.94Å; Q1224-I1248 HydrophobicContact CB-CD1 3.76Å; Q1224-I1248 HydrophobicContact CB-CG1 4.03Å; Q1224-I1248 HydrophobicContact CG-CD1 4.42Å |
| 1225 | T | 74.4 | Confident | 63.6 | Low | 58 Ų | 58 | 88.2 Ų | 88.2 | 36% | 0.356 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.4 | -179.9 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | E1244 V1245 P1267 | T1225-E1244 WeakPolarHBondContact CA-O 3.34Å; T1225-V1245 HydrophobicContact CG2-CG1 4.43Å; T1225-V1245 HydrophobicContact CG2-CG2 4.26Å; T1225-P1267 HydrophobicContact CG2-CB 3.58Å; T1225-P1267 HydrophobicContact CG2-CG 3.67Å |
| 1226 | G | 77.7 | Confident | 62.4 | Low | 26 Ų | 26 | 87.7 Ų | 87.7 | 27% | 0.268 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 172.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1244 | G1226-E1244 PolarHBondContact N-O 3.25Å |
| 1227 | P | 69 | Low | 61.6 | Low | 117 Ų | 117 | 95 Ų | 95 | 76% | 0.76 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 155.3 | 171.1 | 29.1 | -35 | 0 | 0 | 0 | 111.3 | R1243 | P1227-R1243 VanDerWaalsContact O-CB 3.27Å; P1227-R1243 WeakPolarHBondContact O-CB 3.13Å |
| 1228 | W | 73.6 | Confident | 61.7 | Low | 79 Ų | 79 | 96.6 Ų | 96.6 | 30% | 0.299 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132.2 | 167.5 | -68.4 | 100.1 | 0 | 0 | 0 | 109.8 | T1241 R1243 V1268 K1271 | W1228-T1241 HydrophobicContact CE3-CG2 4.03Å; W1228-T1241 WeakPolarHBondContact CZ3-O 3.38Å; W1228-R1243 HydrophobicContact CD2-CB 3.96Å; W1228-R1243 HydrophobicContact CD2-CG 3.96Å; W1228-R1243 HydrophobicContact CE3-CB 3.85Å; W1228-R1243 HydrophobicContact CE3-CG 3.87Å; W1228-R1243 HydrophobicContact CG-CB 4.36Å; W1228-R1243 HydrophobicContact CH2-CG 3.89Å; W1228-R1243 HydrophobicContact CZ2-CG 4Å; W1228-R1243 VanDerWaalsContact CZ2-NE 3.27Å; W1228-R1243 HydrophobicContact CZ3-CB 4.25Å; W1228-R1243 HydrophobicContact CZ3-CG 3.82Å; W1228-V1268 HydrophobicContact CH2-CG2 4.38Å; W1228-V1268 HydrophobicContact CZ2-CG2 4.48Å; W1228-K1271 HydrophobicContact CE3-CB 4.17Å; W1228-K1271 HydrophobicContact CH2-CB 3.49Å; W1228-K1271 VanDerWaalsContact CH2-CB 3.49Å; W1228-K1271 HydrophobicContact CZ2-CB 4Å; W1228-K1271 HydrophobicContact CZ2-CD 4.2Å; W1228-K1271 HydrophobicContact CZ3-CB 3.58Å |
| 1229 | L | 71.6 | Confident | 61.7 | Low | 111 Ų | 111 | 95.1 Ų | 95.1 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 144.4 | 173.8 | -68.4 | 170.9 | 0 | 0 | 0 | 110.5 | T1241 Y1242 | L1229-T1241 WeakPolarHBondContact O-CB 3.09Å; L1229-T1241 PolarHBondContact O-OG1 2.87Å; L1229-Y1242 PolarHBondContact N-O 2.83Å |
| 1230 | P | 61.2 | Low | 62.2 | Low | 116 Ų | 116 | 87.2 Ų | 87.2 | 75% | 0.753 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 144.3 | 175 | -26 | 35.3 | 0 | 0 | 0 | 112.4 | ||
| 1231 | C | 60.5 | Low | 63 | Low | 62 Ų | 62 | 85.4 Ų | 85.4 | 42% | 0.419 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 131.7 | 175.8 | -75.2 | 0 | 0 | 0 | 0 | 110.6 | C1273 | C1231-C1273 VanDerWaalsContact CA-SG 3.54Å; C1231-C1273 HydrophobicContact CB-CB 3.76Å; C1231-C1273 WeakPolarHBondContact CB-SG 3.08Å; C1231-C1273 VanDerWaalsContact SG-CA 3.57Å; C1231-C1273 WeakPolarHBondContact SG-CB 3.49Å; C1231-C1273 CovalentContact SG-SG 2.03Å; C1231-C1273 PolarHBondContact SG-SG 2.99Å |
| 1232 | P | 56.6 | Low | 63.1 | Low | 70 Ų | 70 | 87.9 Ų | 87.9 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -64 | 136.5 | 178 | -22.4 | 33.6 | 0 | 0 | 0 | 112.8 | S1234 | P1232-S1234 PolarHBondContact O-N 3.05Å; P1232-S1234 VanDerWaalsContact O-N 3.11Å |
| 1233 | E | 43 | Very low | 63.3 | Low | 207 Ų | 207 | 82.1 Ų | 82.1 | 97% | 0.967 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -83.7 | 74.9 | 174.8 | -66.3 | -161.8 | 154.6 | 0 | 0 | 112.1 | ||
| 1234 | S | 47.2 | Very low | 62.8 | Low | 48 Ų | 48 | 86 Ų | 86 | 34% | 0.336 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -139.7 | 137.8 | 156.6 | 70 | 0 | 0 | 0 | 0 | 110.5 | E557 P1232 K1236 | E557-S1234 WeakPolarHBondContact OE2-CB 3.43Å; E557-S1234 PolarHBondContact OE2-OG 3.39Å; P1232-S1234 PolarHBondContact O-N 3.05Å; P1232-S1234 VanDerWaalsContact O-N 3.11Å; S1234-K1236 VanDerWaalsContact C-N 3.25Å; S1234-K1236 PolarHBondContact O-N 3.11Å |
| 1235 | C | 39.7 | Very low | 63 | Low | 75 Ų | 75 | 81.6 Ų | 81.6 | 51% | 0.507 | 44% | 0.439 | S | S | . | . | trans | -78.3 | 45 | -160.7 | -83.9 | 0 | 0 | 0 | 0 | 116.3 | L1275 C1278 | C1235-L1275 VanDerWaalsContact C-CD2 3.42Å; C1235-L1275 HydrophobicContact CB-CD2 4.44Å; C1235-C1278 HydrophobicContact CB-CB 3.82Å; C1235-C1278 WeakPolarHBondContact CB-SG 3.42Å; C1235-C1278 WeakPolarHBondContact SG-CB 3.46Å; C1235-C1278 CovalentContact SG-SG 2.05Å; C1235-C1278 PolarHBondContact SG-SG 3.34Å | ||
| 1236 | K | 42 | Very low | 63.2 | Low | 129 Ų | 129 | 79.6 Ų | 79.6 | 56% | 0.561 | 43% | 0.428 | S | S | * | . | trans | -97 | 128.3 | 175.3 | -75.7 | 175.3 | 176 | 167.1 | 0 | 112.6 | E557 S1234 L1275 | E557-K1236 WeakPolarHBondContact OE1-CD 3.45Å; E557-K1236 WeakPolarHBondContact OE1-CE 3.38Å; E557-K1236 IonicContact OE1-NZ 3.72Å; E557-K1236 PolarHBondContact OE1-NZ 2.84Å; S1234-K1236 VanDerWaalsContact C-N 3.25Å; S1234-K1236 PolarHBondContact O-N 3.11Å; K1236-L1275 WeakPolarHBondContact O-CD1 3.21Å; K1236-L1275 VanDerWaalsContact O-CD2 3.3Å; K1236-L1275 WeakPolarHBondContact O-CD2 3.47Å | ||
| 1237 | K | 47.8 | Very low | 63.2 | Low | 173 Ų | 173 | 78.6 Ų | 78.6 | 75% | 0.752 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 140.5 | 174.1 | -67.4 | 174.6 | -179.9 | 171.3 | 0 | 110 | ||
| 1238 | N | 53.2 | Low | 63.6 | Low | 126 Ų | 126 | 73.7 Ų | 73.7 | 67% | 0.674 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 18.2 | 176.7 | -47 | -13.9 | 0 | 0 | 0 | 116.9 | ||
| 1239 | A | 52.1 | Low | 63.5 | Low | 24 Ų | 24 | 70.8 Ų | 70.8 | 20% | 0.198 | 38% | 0.376 | C | S | . | . | trans | -55.6 | 147.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C1273 | A1239-C1273 HydrophobicContact CB-CB 4.12Å; A1239-C1273 WeakPolarHBondContact O-CA 3.46Å; A1239-C1273 VanDerWaalsContact O-CB 3.25Å; A1239-C1273 WeakPolarHBondContact O-CB 3.44Å; A1239-C1273 PolarHBondContact O-N 3Å | ||
| 1240 | N | 67.8 | Low | 63.2 | Low | 38 Ų | 38 | 69.8 Ų | 69.8 | 20% | 0.203 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 145.7 | 178.7 | -72.3 | -21.6 | 0 | 0 | 0 | 111 | Y1242 E1270 K1271 A1272 | N1240-Y1242 HydrophobicContact CB-CE2 3.92Å; N1240-Y1242 WeakPolarHBondContact O-CE2 3.07Å; N1240-E1270 HydrophobicContact CB-CG 3.91Å; N1240-E1270 VanDerWaalsContact ND2-CD 3.26Å; N1240-E1270 PolarHBondContact ND2-OE1 2.72Å; N1240-K1271 CarbonylContact C-O 3.16Å; N1240-K1271 WeakPolarHBondContact CA-O 3.37Å; N1240-A1272 VanDerWaalsContact OD1-CA 3.24Å; N1240-A1272 WeakPolarHBondContact OD1-CA 3.28Å |
| 1241 | T | 75.8 | Confident | 63.2 | Low | 10 Ų | 10 | 69.9 Ų | 69.9 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 151.2 | 164.6 | 167.8 | 0 | 0 | 0 | 0 | 109.5 | W1228 L1229 E1270 K1271 C1273 | W1228-T1241 HydrophobicContact CE3-CG2 4.03Å; W1228-T1241 WeakPolarHBondContact CZ3-O 3.38Å; L1229-T1241 WeakPolarHBondContact O-CB 3.09Å; L1229-T1241 PolarHBondContact O-OG1 2.87Å; T1241-E1270 WeakPolarHBondContact O-CA 3.05Å; T1241-K1271 HydrophobicContact CG2-CB 4.19Å; T1241-K1271 HydrophobicContact CG2-CG 4.46Å; T1241-K1271 VanDerWaalsContact CG2-O 3.24Å; T1241-K1271 WeakPolarHBondContact CG2-O 3.3Å; T1241-K1271 PolarHBondContact N-O 3.01Å; T1241-K1271 PolarHBondContact O-N 3.41Å; T1241-C1273 PolarHBondContact N-SG 2.89Å; T1241-C1273 VanDerWaalsContact N-SG 3.42Å |
| 1242 | Y | 75.4 | Confident | 63.7 | Low | 66 Ų | 66 | 70.9 Ų | 70.9 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 154.1 | -176.1 | -59.7 | -92.3 | 0 | 0 | 0 | 110.5 | F601 L1229 N1240 S1269 E1270 | F601-Y1242 HydrophobicContact CD2-CD2 4.4Å; F601-Y1242 HydrophobicContact CD2-CE2 4Å; F601-Y1242 AromaticContact CE2-CD2 3.9Å; F601-Y1242 HydrophobicContact CE2-CD2 3.9Å; F601-Y1242 AromaticContact CE2-CE2 3.57Å; F601-Y1242 HydrophobicContact CE2-CE2 3.57Å; L1229-Y1242 PolarHBondContact N-O 2.83Å; N1240-Y1242 HydrophobicContact CB-CE2 3.92Å; N1240-Y1242 WeakPolarHBondContact O-CE2 3.07Å; Y1242-S1269 CarbonylContact C-O 3.55Å; Y1242-S1269 VanDerWaalsContact CA-O 3.26Å; Y1242-S1269 WeakPolarHBondContact CA-O 3.44Å; Y1242-E1270 HydrophobicContact CD1-CB 4.02Å; Y1242-E1270 HydrophobicContact CD1-CG 4.06Å; Y1242-E1270 HydrophobicContact CE1-CB 3.9Å; Y1242-E1270 HydrophobicContact CE1-CG 3.52Å; Y1242-E1270 WeakPolarHBondContact CE1-OE1 3.42Å; Y1242-E1270 PolarHBondContact OH-OE1 3.12Å |
| 1243 | R | 80.1 | Confident | 64 | Low | 50 Ų | 50 | 72.7 Ų | 72.7 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 153.2 | 169.9 | 66.6 | 172.9 | 172.8 | 178.6 | -6 | 111.1 | P1227 W1228 V1245 V1268 S1269 | P1227-R1243 VanDerWaalsContact O-CB 3.27Å; P1227-R1243 WeakPolarHBondContact O-CB 3.13Å; W1228-R1243 HydrophobicContact CD2-CB 3.96Å; W1228-R1243 HydrophobicContact CD2-CG 3.96Å; W1228-R1243 HydrophobicContact CE3-CB 3.85Å; W1228-R1243 HydrophobicContact CE3-CG 3.87Å; W1228-R1243 HydrophobicContact CG-CB 4.36Å; W1228-R1243 HydrophobicContact CH2-CG 3.89Å; W1228-R1243 HydrophobicContact CZ2-CG 4Å; W1228-R1243 VanDerWaalsContact CZ2-NE 3.27Å; W1228-R1243 HydrophobicContact CZ3-CB 4.25Å; W1228-R1243 HydrophobicContact CZ3-CG 3.82Å; R1243-V1245 HydrophobicContact CG-CG2 4.19Å; R1243-V1268 VanDerWaalsContact CZ-O 3.29Å; R1243-V1268 PolarHBondContact NE-O 2.9Å; R1243-V1268 PolarHBondContact NH2-O 3.31Å; R1243-S1269 PolarHBondContact N-O 2.72Å |
| 1244 | E | 72.5 | Confident | 65.3 | Low | 113 Ų | 113 | 67.7 Ų | 67.7 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 142.2 | 171.1 | -154 | -175.2 | -178.7 | 0 | 0 | 111.2 | T1225 G1226 R1255 | T1225-E1244 WeakPolarHBondContact CA-O 3.34Å; G1226-E1244 PolarHBondContact N-O 3.25Å; E1244-R1255 IonicContact OE1-CZ 2.8Å; E1244-R1255 IonicContact OE1-NH1 3.75Å; E1244-R1255 PolarHBondContact OE1-NH1 2.5Å; E1244-R1255 IonicContact OE1-NH2 3.4Å; E1244-R1255 PolarHBondContact OE1-NH2 2.9Å |
| 1245 | V | 81.8 | Confident | 66.2 | Low | 15 Ų | 15 | 73 Ų | 73 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 114.2 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | W1223 T1225 R1243 P1267 | W1223-V1245 HydrophobicContact CE3-CG1 3.94Å; W1223-V1245 HydrophobicContact CZ3-CG1 4.45Å; T1225-V1245 HydrophobicContact CG2-CG1 4.43Å; T1225-V1245 HydrophobicContact CG2-CG2 4.26Å; R1243-V1245 HydrophobicContact CG-CG2 4.19Å; V1245-P1267 HydrophobicContact CG1-CB 4.05Å; V1245-P1267 HydrophobicContact CG1-CG 4.09Å; V1245-P1267 HydrophobicContact CG2-CB 4.36Å |
| 1246 | A | 78.7 | Confident | 67.5 | Low | 16 Ų | 16 | 71.6 Ų | 71.6 | 13% | 0.132 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | W1223 Q1224 R1255 | W1223-A1246 WeakPolarHBondContact CA-O 3.19Å; Q1224-A1246 PolarHBondContact N-O 3.18Å; Q1224-A1246 PolarHBondContact O-N 2.94Å; A1246-R1255 HydrophobicContact CB-CG 4.4Å |
| 1247 | C | 77.5 | Confident | 68.9 | Low | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.5 | 162.6 | -173 | 0 | 0 | 0 | 0 | 108.5 | W1223 R1255 T1256 C1261 | W1223-C1247 HydrophobicContact CE3-CB 4.3Å; W1223-C1247 HydrophobicContact CZ3-CB 4.09Å; C1247-R1255 WeakPolarHBondContact O-CA 3.34Å; C1247-T1256 PolarHBondContact O-N 2.9Å; C1247-C1261 WeakPolarHBondContact CA-SG 3.28Å; C1247-C1261 HydrophobicContact CB-CB 3.88Å; C1247-C1261 WeakPolarHBondContact CB-SG 3.05Å; C1247-C1261 WeakPolarHBondContact SG-CB 3.13Å; C1247-C1261 PolarHBondContact SG-N 3Å; C1247-C1261 CovalentContact SG-SG 2.03Å; C1247-C1261 PolarHBondContact SG-SG 3.24Å |
| 1248 | I | 78.5 | Confident | 69.9 | Low | 13 Ų | 13 | 65.6 Ų | 65.6 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 144.3 | 174.6 | 53.9 | 166.4 | 0 | 0 | 0 | 111.6 | G1221 R1222 Q1224 V1250 D1254 | G1221-I1248 CarbonylContact C-O 3.48Å; G1221-I1248 WeakPolarHBondContact CA-O 3.03Å; R1222-I1248 PolarHBondContact N-O 2.85Å; R1222-I1248 VanDerWaalsContact O-CG1 3.27Å; R1222-I1248 WeakPolarHBondContact O-CG1 3.43Å; R1222-I1248 PolarHBondContact O-N 2.85Å; Q1224-I1248 HydrophobicContact CB-CD1 3.76Å; Q1224-I1248 HydrophobicContact CB-CG1 4.03Å; Q1224-I1248 HydrophobicContact CG-CD1 4.42Å; I1248-V1250 PolarHBondContact O-N 3.13Å; I1248-D1254 CarbonylContact C-O 3.59Å; I1248-D1254 WeakPolarHBondContact CA-O 3.47Å; I1248-D1254 WeakPolarHBondContact CB-O 3.39Å |
| 1249 | S | 71.3 | Confident | 70.5 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 130.9 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L1251 T1252 N1253 D1254 | S1249-L1251 PolarHBondContact O-N 3.18Å; S1249-L1251 PolarHBondContact OG-N 3Å; S1249-L1251 VanDerWaalsContact OG-N 3.16Å; S1249-T1252 VanDerWaalsContact CB-OG1 3.31Å; S1249-T1252 WeakPolarHBondContact CB-OG1 3.37Å; S1249-T1252 PolarHBondContact OG-N 2.77Å; S1249-T1252 PolarHBondContact OG-OG1 2.91Å; S1249-N1253 WeakPolarHBondContact O-CA 3.36Å; S1249-N1253 PolarHBondContact O-N 2.87Å; S1249-D1254 PolarHBondContact N-O 2.64Å |
| 1250 | V | 64.1 | Low | 71.1 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -14.7 | 171.7 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | C1220 R1222 I1248 | C1220-V1250 HydrophobicContact CB-CG2 4.29Å; C1220-V1250 WeakPolarHBondContact O-CB 3.41Å; C1220-V1250 VanDerWaalsContact O-CG2 3.31Å; C1220-V1250 WeakPolarHBondContact O-CG2 3.45Å; C1220-V1250 PolarHBondContact O-N 2.75Å; C1220-V1250 VanDerWaalsContact O-N 3.09Å; R1222-V1250 HydrophobicContact CB-CG2 3.71Å; I1248-V1250 PolarHBondContact O-N 3.13Å |
| 1251 | L | 62.4 | Low | 71.3 | Confident | 117 Ų | 117 | 65.2 Ų | 65.2 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -35.5 | -177 | -74.2 | 167.2 | 0 | 0 | 0 | 114.4 | R1219 S1249 | R1219-L1251 HydrophobicContact CB-CD1 4.28Å; R1219-L1251 HydrophobicContact CG-CD1 3.88Å; S1249-L1251 PolarHBondContact O-N 3.18Å; S1249-L1251 PolarHBondContact OG-N 3Å; S1249-L1251 VanDerWaalsContact OG-N 3.16Å |
| 1252 | T | 70.1 | Confident | 70.9 | Confident | 84 Ų | 84 | 68.1 Ų | 68.1 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -13.7 | 180 | 73.9 | 0 | 0 | 0 | 0 | 113 | S1249 D1254 | S1249-T1252 VanDerWaalsContact CB-OG1 3.31Å; S1249-T1252 WeakPolarHBondContact CB-OG1 3.37Å; S1249-T1252 PolarHBondContact OG-N 2.77Å; S1249-T1252 PolarHBondContact OG-OG1 2.91Å; T1252-D1254 WeakPolarHBondContact CB-OD2 3.26Å; T1252-D1254 PolarHBondContact O-N 2.59Å; T1252-D1254 VanDerWaalsContact O-N 3.12Å; T1252-D1254 PolarHBondContact OG1-OD2 2.74Å |
| 1253 | N | 64.1 | Low | 70.4 | Confident | 108 Ų | 108 | 69.9 Ų | 69.9 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | trans | 63.5 | 5.6 | -178.2 | -144 | 93 | 0 | 0 | 0 | 115.3 | S1249 | S1249-N1253 WeakPolarHBondContact O-CA 3.36Å; S1249-N1253 PolarHBondContact O-N 2.87Å | ||
| 1254 | D | 69.2 | Low | 69.6 | Low | 102 Ų | 102 | 75.4 Ų | 75.4 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -78.9 | 161 | 172.6 | -54.3 | -64.5 | 0 | 0 | 0 | 112.6 | I1248 S1249 T1252 T1256 | I1248-D1254 CarbonylContact C-O 3.59Å; I1248-D1254 WeakPolarHBondContact CA-O 3.47Å; I1248-D1254 WeakPolarHBondContact CB-O 3.39Å; S1249-D1254 PolarHBondContact N-O 2.64Å; T1252-D1254 WeakPolarHBondContact CB-OD2 3.26Å; T1252-D1254 PolarHBondContact O-N 2.59Å; T1252-D1254 VanDerWaalsContact O-N 3.12Å; T1252-D1254 PolarHBondContact OG1-OD2 2.74Å; D1254-T1256 PolarHBondContact O-N 3.35Å |
| 1255 | R | 66.7 | Low | 69.2 | Low | 160 Ų | 160 | 79 Ų | 79 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | B | Isolated β-bridge | trans | -74.3 | 111.2 | 176.3 | -166.2 | 177 | -166.7 | 139.9 | 1.8 | 110.4 | E1244 A1246 C1247 | E1244-R1255 IonicContact OE1-CZ 2.8Å; E1244-R1255 IonicContact OE1-NH1 3.75Å; E1244-R1255 PolarHBondContact OE1-NH1 2.5Å; E1244-R1255 IonicContact OE1-NH2 3.4Å; E1244-R1255 PolarHBondContact OE1-NH2 2.9Å; A1246-R1255 HydrophobicContact CB-CG 4.4Å; C1247-R1255 WeakPolarHBondContact O-CA 3.34Å |
| 1256 | T | 67.4 | Low | 69 | Low | 44 Ų | 44 | 83.7 Ų | 83.7 | 27% | 0.27 | 43% | 0.43 | S | S | . | . | trans | -101.6 | -176.1 | -179 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | C1247 D1254 D1260 | C1247-T1256 PolarHBondContact O-N 2.9Å; D1254-T1256 PolarHBondContact O-N 3.35Å; T1256-D1260 WeakPolarHBondContact CB-OD2 3.41Å; T1256-D1260 WeakPolarHBondContact OG1-CB 3.45Å; T1256-D1260 PolarHBondContact OG1-OD2 2.86Å | ||
| 1257 | D | 70.6 | Confident | 69.1 | Low | 96 Ų | 96 | 84.3 Ų | 84.3 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | trans | -64 | 149.5 | 172 | -178.8 | 57.5 | 0 | 0 | 0 | 111.2 | S1259 D1260 | D1257-S1259 PolarHBondContact O-N 2.87Å; D1257-S1259 VanDerWaalsContact O-N 3.12Å; D1257-S1259 VanDerWaalsContact OD2-CB 3.23Å; D1257-S1259 WeakPolarHBondContact OD2-CB 3.13Å; D1257-S1259 PolarHBondContact OD2-N 3.08Å; D1257-S1259 PolarHBondContact OD2-OG 2.94Å; D1257-D1260 PolarHBondContact O-N 3.12Å | ||
| 1258 | I | 69.7 | Low | 68.7 | Low | 81 Ų | 81 | 88.8 Ų | 88.8 | 42% | 0.415 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -65 | -16.5 | -175.5 | -159.5 | 163.1 | 0 | 0 | 0 | 113.4 | W1223 L1263 | W1223-I1258 HydrophobicContact CH2-CD1 4.13Å; W1223-I1258 HydrophobicContact CH2-CG1 3.52Å; W1223-I1258 HydrophobicContact CZ3-CD1 4.34Å; W1223-I1258 HydrophobicContact CZ3-CG1 3.92Å; I1258-L1263 HydrophobicContact CG1-CD2 4.24Å |
| 1259 | S | 65.3 | Low | 68.7 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 61% | 0.608 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -80.1 | -16.8 | 176.3 | 65 | 0 | 0 | 0 | 0 | 115.6 | D1257 C1261 | D1257-S1259 PolarHBondContact O-N 2.87Å; D1257-S1259 VanDerWaalsContact O-N 3.12Å; D1257-S1259 VanDerWaalsContact OD2-CB 3.23Å; D1257-S1259 WeakPolarHBondContact OD2-CB 3.13Å; D1257-S1259 PolarHBondContact OD2-N 3.08Å; D1257-S1259 PolarHBondContact OD2-OG 2.94Å; S1259-C1261 PolarHBondContact O-N 3.46Å |
| 1260 | D | 64.5 | Low | 68.5 | Low | 87 Ų | 87 | 93.7 Ų | 93.7 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -67.6 | -15.7 | 172.7 | -73 | -49.5 | 0 | 0 | 0 | 112.7 | G1221 T1256 D1257 | G1221-D1260 WeakPolarHBondContact CA-O 3.14Å; G1221-D1260 PolarHBondContact N-O 2.73Å; T1256-D1260 WeakPolarHBondContact CB-OD2 3.41Å; T1256-D1260 WeakPolarHBondContact OG1-CB 3.45Å; T1256-D1260 PolarHBondContact OG1-OD2 2.86Å; D1257-D1260 PolarHBondContact O-N 3.12Å |
| 1261 | C | 71.5 | Confident | 68.3 | Low | 5 Ų | 5 | 94.8 Ų | 94.8 | 3% | 0.034 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -106.8 | 142.9 | -179.6 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | R1222 W1223 C1247 S1259 L1263 | R1222-C1261 PolarHBondContact N-SG 2.97Å; W1223-C1261 HydrophobicContact CD2-CB 3.86Å; W1223-C1261 VanDerWaalsContact CE2-CB 3.41Å; W1223-C1261 HydrophobicContact CE3-CB 4.29Å; W1223-C1261 HydrophobicContact CG-CB 4.43Å; W1223-C1261 HydrophobicContact CH2-CB 3.95Å; W1223-C1261 HydrophobicContact CZ2-CB 3.46Å; W1223-C1261 VanDerWaalsContact CZ2-CB 3.46Å; W1223-C1261 HydrophobicContact CZ3-CB 4.34Å; C1247-C1261 WeakPolarHBondContact CA-SG 3.28Å; C1247-C1261 HydrophobicContact CB-CB 3.88Å; C1247-C1261 WeakPolarHBondContact CB-SG 3.05Å; C1247-C1261 WeakPolarHBondContact SG-CB 3.13Å; C1247-C1261 PolarHBondContact SG-N 3Å; C1247-C1261 CovalentContact SG-SG 2.03Å; C1247-C1261 PolarHBondContact SG-SG 3.24Å; S1259-C1261 PolarHBondContact O-N 3.46Å; C1261-L1263 PolarHBondContact O-N 3.11Å |
| 1262 | D | 67.1 | Low | 68.3 | Low | 71 Ų | 71 | 91.4 Ų | 91.4 | 38% | 0.38 | 47% | 0.471 | S | S | . | . | trans | -57.2 | 102.3 | 173.7 | 179.9 | -14 | 0 | 0 | 0 | 111.3 | W1223 D1264 R1265 R1266 | W1223-D1262 PolarHBondContact NE1-O 3.3Å; D1262-D1264 VanDerWaalsContact C-N 3.31Å; D1262-D1264 PolarHBondContact O-N 2.77Å; D1262-D1264 PolarHBondContact OD1-N 2.85Å; D1262-D1264 VanDerWaalsContact OD1-N 3.09Å; D1262-R1265 HydrophobicContact CB-CB 4.24Å; D1262-R1265 HydrophobicContact CB-CG 4.38Å; D1262-R1265 PolarHBondContact O-N 3.4Å; D1262-R1265 VanDerWaalsContact O-N 3.09Å; D1262-R1265 PolarHBondContact OD1-N 2.88Å; D1262-R1265 WeakPolarHBondContact OD2-CD 3.25Å; D1262-R1265 VanDerWaalsContact OD2-CG 3.26Å; D1262-R1265 WeakPolarHBondContact OD2-CG 3.25Å; D1262-R1265 IonicContact OD2-CZ 3.16Å; D1262-R1265 IonicContact OD2-NE 2.7Å; D1262-R1265 PolarHBondContact OD2-NE 2.98Å; D1262-R1266 PolarHBondContact O-N 3.34Å | ||
| 1263 | L | 65.3 | Low | 67.7 | Low | 103 Ų | 103 | 88 Ų | 88 | 54% | 0.539 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -63.6 | -32.2 | -177.2 | -67.1 | 177 | 0 | 0 | 0 | 113 | W1223 I1258 C1261 R1265 R1266 | W1223-L1263 HydrophobicContact CH2-CD2 4.15Å; W1223-L1263 HydrophobicContact CZ2-CD2 4.09Å; I1258-L1263 HydrophobicContact CG1-CD2 4.24Å; C1261-L1263 PolarHBondContact O-N 3.11Å; L1263-R1265 PolarHBondContact O-N 3.37Å; L1263-R1266 VanDerWaalsContact O-CB 3.3Å; L1263-R1266 WeakPolarHBondContact O-CB 3.16Å; L1263-R1266 PolarHBondContact O-N 3.24Å; L1263-R1266 VanDerWaalsContact O-N 3.11Å |
| 1264 | D | 62.3 | Low | 67 | Low | 166 Ų | 166 | 86.1 Ų | 86.1 | 89% | 0.888 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -69.7 | -17.4 | 177.1 | -71.1 | -31 | 0 | 0 | 0 | 111.6 | D1262 | D1262-D1264 VanDerWaalsContact C-N 3.31Å; D1262-D1264 PolarHBondContact O-N 2.77Å; D1262-D1264 PolarHBondContact OD1-N 2.85Å; D1262-D1264 VanDerWaalsContact OD1-N 3.09Å |
| 1265 | R | 65.3 | Low | 65.9 | Low | 190 Ų | 190 | 84.5 Ų | 84.5 | 72% | 0.717 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -100.3 | 6.9 | 172.1 | -64.7 | -177.6 | -162.2 | -112.4 | -5.3 | 114.6 | D1262 L1263 P1267 | D1262-R1265 HydrophobicContact CB-CB 4.24Å; D1262-R1265 HydrophobicContact CB-CG 4.38Å; D1262-R1265 PolarHBondContact O-N 3.4Å; D1262-R1265 VanDerWaalsContact O-N 3.09Å; D1262-R1265 PolarHBondContact OD1-N 2.88Å; D1262-R1265 WeakPolarHBondContact OD2-CD 3.25Å; D1262-R1265 VanDerWaalsContact OD2-CG 3.26Å; D1262-R1265 WeakPolarHBondContact OD2-CG 3.25Å; D1262-R1265 IonicContact OD2-CZ 3.16Å; D1262-R1265 IonicContact OD2-NE 2.7Å; D1262-R1265 PolarHBondContact OD2-NE 2.98Å; L1263-R1265 PolarHBondContact O-N 3.37Å; R1265-P1267 VanDerWaalsContact O-CD 3.25Å; R1265-P1267 WeakPolarHBondContact O-CD 3.46Å |
| 1266 | R | 76.5 | Confident | 64.8 | Low | 113 Ų | 113 | 81.1 Ų | 81.1 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 119.2 | -177.1 | -175.6 | 172.2 | 179.5 | -100.3 | -2 | 111.4 | W1223 D1262 L1263 | W1223-R1266 HydrophobicContact CD2-CG 4.41Å; W1223-R1266 HydrophobicContact CE3-CG 4.31Å; W1223-R1266 HydrophobicContact CH2-CB 4.04Å; W1223-R1266 HydrophobicContact CH2-CG 3.67Å; W1223-R1266 HydrophobicContact CZ2-CB 3.61Å; W1223-R1266 HydrophobicContact CZ2-CG 3.77Å; W1223-R1266 HydrophobicContact CZ3-CG 3.95Å; D1262-R1266 PolarHBondContact O-N 3.34Å; L1263-R1266 VanDerWaalsContact O-CB 3.3Å; L1263-R1266 WeakPolarHBondContact O-CB 3.16Å; L1263-R1266 PolarHBondContact O-N 3.24Å; L1263-R1266 VanDerWaalsContact O-N 3.11Å |
| 1267 | P | 80.7 | Confident | 62.8 | Low | 29 Ų | 29 | 88 Ų | 88 | 19% | 0.188 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 140 | 178.9 | -24.5 | 34 | 0 | 0 | 0 | 112.5 | W1223 T1225 V1245 R1265 S1269 | W1223-P1267 HydrophobicContact CB-CG 3.82Å; W1223-P1267 VanDerWaalsContact CG-CD 3.41Å; W1223-P1267 HydrophobicContact CG-CG 4.15Å; T1225-P1267 HydrophobicContact CG2-CB 3.58Å; T1225-P1267 HydrophobicContact CG2-CG 3.67Å; V1245-P1267 HydrophobicContact CG1-CB 4.05Å; V1245-P1267 HydrophobicContact CG1-CG 4.09Å; V1245-P1267 HydrophobicContact CG2-CB 4.36Å; R1265-P1267 VanDerWaalsContact O-CD 3.25Å; R1265-P1267 WeakPolarHBondContact O-CD 3.46Å; P1267-S1269 PolarHBondContact O-N 2.72Å |
| 1268 | V | 69.4 | Low | 61.1 | Low | 99 Ų | 99 | 88 Ų | 88 | 60% | 0.6 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 134.5 | 174.6 | -65 | 0 | 0 | 0 | 0 | 111.4 | W1228 R1243 | W1228-V1268 HydrophobicContact CH2-CG2 4.38Å; W1228-V1268 HydrophobicContact CZ2-CG2 4.48Å; R1243-V1268 VanDerWaalsContact CZ-O 3.29Å; R1243-V1268 PolarHBondContact NE-O 2.9Å; R1243-V1268 PolarHBondContact NH2-O 3.31Å |
| 1269 | S | 78.9 | Confident | 59.1 | Low | 44 Ų | 44 | 93.7 Ų | 93.7 | 31% | 0.308 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -96.5 | -6.1 | -179.9 | 51.7 | 0 | 0 | 0 | 0 | 114 | Y1242 R1243 P1267 | Y1242-S1269 CarbonylContact C-O 3.55Å; Y1242-S1269 VanDerWaalsContact CA-O 3.26Å; Y1242-S1269 WeakPolarHBondContact CA-O 3.44Å; R1243-S1269 PolarHBondContact N-O 2.72Å; P1267-S1269 PolarHBondContact O-N 2.72Å |
| 1270 | E | 68 | Low | 57.1 | Low | 92 Ų | 92 | 101 Ų | 101 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.7 | -176.7 | -178.4 | 175.7 | -138.8 | 0 | 0 | 110.3 | N1240 T1241 Y1242 | N1240-E1270 HydrophobicContact CB-CG 3.91Å; N1240-E1270 VanDerWaalsContact ND2-CD 3.26Å; N1240-E1270 PolarHBondContact ND2-OE1 2.72Å; T1241-E1270 WeakPolarHBondContact O-CA 3.05Å; Y1242-E1270 HydrophobicContact CD1-CB 4.02Å; Y1242-E1270 HydrophobicContact CD1-CG 4.06Å; Y1242-E1270 HydrophobicContact CE1-CB 3.9Å; Y1242-E1270 HydrophobicContact CE1-CG 3.52Å; Y1242-E1270 WeakPolarHBondContact CE1-OE1 3.42Å; Y1242-E1270 PolarHBondContact OH-OE1 3.12Å |
| 1271 | K | 58.9 | Low | 55.4 | Low | 112 Ų | 112 | 102.4 Ų | 102.4 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 139.8 | 179.8 | 172 | -172.6 | 170.8 | -167.2 | 0 | 110.7 | W1228 N1240 T1241 C1273 | W1228-K1271 HydrophobicContact CE3-CB 4.17Å; W1228-K1271 HydrophobicContact CH2-CB 3.49Å; W1228-K1271 VanDerWaalsContact CH2-CB 3.49Å; W1228-K1271 HydrophobicContact CZ2-CB 4Å; W1228-K1271 HydrophobicContact CZ2-CD 4.2Å; W1228-K1271 HydrophobicContact CZ3-CB 3.58Å; N1240-K1271 CarbonylContact C-O 3.16Å; N1240-K1271 WeakPolarHBondContact CA-O 3.37Å; T1241-K1271 HydrophobicContact CG2-CB 4.19Å; T1241-K1271 HydrophobicContact CG2-CG 4.46Å; T1241-K1271 VanDerWaalsContact CG2-O 3.24Å; T1241-K1271 WeakPolarHBondContact CG2-O 3.3Å; T1241-K1271 PolarHBondContact N-O 3.01Å; T1241-K1271 PolarHBondContact O-N 3.41Å; K1271-C1273 PolarHBondContact O-N 3.17Å |
| 1272 | A | 62.4 | Low | 53.2 | Low | 47 Ų | 47 | 107.9 Ų | 107.9 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61 | 126.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1240 | N1240-A1272 VanDerWaalsContact OD1-CA 3.24Å; N1240-A1272 WeakPolarHBondContact OD1-CA 3.28Å |
| 1273 | C | 58.9 | Low | 51.2 | Low | 11 Ų | 11 | 115.6 Ų | 115.6 | 7% | 0.074 | 58% | 0.583 | C | S | . | * | trans | -68.4 | 152.2 | 156.2 | -67.9 | 0 | 0 | 0 | 0 | 109.2 | C1231 A1239 T1241 K1271 | C1231-C1273 VanDerWaalsContact CA-SG 3.54Å; C1231-C1273 HydrophobicContact CB-CB 3.76Å; C1231-C1273 WeakPolarHBondContact CB-SG 3.08Å; C1231-C1273 VanDerWaalsContact SG-CA 3.57Å; C1231-C1273 WeakPolarHBondContact SG-CB 3.49Å; C1231-C1273 CovalentContact SG-SG 2.03Å; C1231-C1273 PolarHBondContact SG-SG 2.99Å; A1239-C1273 HydrophobicContact CB-CB 4.12Å; A1239-C1273 WeakPolarHBondContact O-CA 3.46Å; A1239-C1273 VanDerWaalsContact O-CB 3.25Å; A1239-C1273 WeakPolarHBondContact O-CB 3.44Å; A1239-C1273 PolarHBondContact O-N 3Å; T1241-C1273 PolarHBondContact N-SG 2.89Å; T1241-C1273 VanDerWaalsContact N-SG 3.42Å; K1271-C1273 PolarHBondContact O-N 3.17Å | ||
| 1274 | N | 48.3 | Very low | 49.4 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 37% | 0.374 | 59% | 0.589 | S | S | . | * | trans | -137.5 | 114 | -159.5 | -139 | -22.9 | 0 | 0 | 0 | 109.4 | V1832 N1833 | N1274-V1832 HydrophobicContact CB-CB 4.42Å; N1274-V1832 HydrophobicContact CB-CG1 4.21Å; N1274-V1832 HydrophobicContact CB-CG2 4.02Å; N1274-V1832 VanDerWaalsContact O-CG2 3.27Å; N1274-V1832 WeakPolarHBondContact O-CG2 3.45Å; N1274-V1832 WeakPolarHBondContact OD1-CA 3.46Å; N1274-N1833 PolarHBondContact ND2-N 3.25Å | ||
| 1275 | L | 47.1 | Very low | 48 | Very low | 67 Ų | 67 | 114.5 Ų | 114.5 | 35% | 0.351 | 58% | 0.583 | S | S | . | * | trans | -103.3 | 124.7 | -166.8 | -70.7 | 78.8 | 0 | 0 | 0 | 112.5 | C1235 K1236 | C1235-L1275 VanDerWaalsContact C-CD2 3.42Å; C1235-L1275 HydrophobicContact CB-CD2 4.44Å; K1236-L1275 WeakPolarHBondContact O-CD1 3.21Å; K1236-L1275 VanDerWaalsContact O-CD2 3.3Å; K1236-L1275 WeakPolarHBondContact O-CD2 3.47Å | ||
| 1276 | S | 42 | Very low | 46.5 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 63% | 0.629 | 59% | 0.588 | S | S | * | * | trans | -152.4 | 58.4 | 165.1 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | V1832 | S1276-V1832 VanDerWaalsContact CB-CG2 3.5Å; S1276-V1832 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 1277 | Q | 27.1 | Very low | 44.6 | Very low | 189 Ų | 189 | 113 Ų | 113 | 88% | 0.883 | 61% | 0.605 | S | S | * | * | trans | -159.7 | 90.4 | 157.5 | -110.6 | 169.4 | 23.5 | 0 | 0 | 109.1 | ||||
| 1278 | C | 33.8 | Very low | 42.9 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | trans | -166 | 126.1 | 167.9 | -109.5 | 0 | 0 | 0 | 0 | 107.3 | C1235 | C1235-C1278 HydrophobicContact CB-CB 3.82Å; C1235-C1278 WeakPolarHBondContact CB-SG 3.42Å; C1235-C1278 WeakPolarHBondContact SG-CB 3.46Å; C1235-C1278 CovalentContact SG-SG 2.05Å; C1235-C1278 PolarHBondContact SG-SG 3.34Å | ||
| 1279 | E | 27.5 | Very low | 42 | Very low | 200 Ų | 200 | 119.6 Ų | 119.6 | 94% | 0.935 | 64% | 0.641 | S | S | * | * | trans | -103.2 | 178.1 | -166.3 | -64.7 | -153.4 | 130.7 | 0 | 0 | 114.7 | ||||
| 1280 | R | 23.8 | Very low | 41.4 | Very low | 240 Ų | 240 | 119 Ų | 119 | 91% | 0.906 | 64% | 0.641 | S | S | * | * | trans | -66.3 | 144.7 | -168.4 | -73 | 169.5 | 161.5 | 158.4 | -7.9 | 114.7 | ||||
| 1281 | S | 28.4 | Very low | 41.8 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 83% | 0.825 | 63% | 0.633 | S | S | * | * | trans | -140 | 166.1 | 133.3 | 72.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1282 | T | 24.7 | Very low | 42.6 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 73% | 0.73 | 62% | 0.622 | S | S | * | * | trans | -153.8 | 137 | -174.2 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1283 | Y | 25.3 | Very low | 43.5 | Very low | 233 Ų | 233 | 113.5 Ų | 113.5 | 91% | 0.914 | 61% | 0.609 | S | S | * | * | trans | -153.2 | 161.9 | 160.8 | -139 | -101.3 | 0 | 0 | 0 | 112.3 | ||||
| 1284 | Y | 28.9 | Very low | 44.4 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | trans | -121.6 | 167.5 | -175.4 | -90.2 | -116.3 | 0 | 0 | 0 | 111 | D1725 | Y1284-D1725 PolarHBondContact OH-OD1 3.3Š| ||
| 1285 | G | 32.5 | Very low | 45.7 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | -170.9 | 132.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1286 | D | 33.5 | Very low | 47 | Very low | 152 Ų | 152 | 119.5 Ų | 119.5 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 161.6 | -174.1 | -86.6 | -64.7 | 0 | 0 | 0 | 113.5 | ||
| 1287 | P | 36.9 | Very low | 48.7 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -79 | 154 | -171.7 | 31.2 | -36.4 | 0 | 0 | 0 | 115.5 | ||
| 1288 | L | 43.6 | Very low | 50.9 | Low | 148 Ų | 148 | 117 Ų | 117 | 78% | 0.775 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 145.3 | -172.8 | -72.1 | 161.8 | 0 | 0 | 0 | 114.3 | ||
| 1289 | P | 51.3 | Low | 53 | Low | 119 Ų | 119 | 115.1 Ų | 115.1 | 77% | 0.773 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -73 | 161.8 | 168.4 | -14.5 | 30.3 | 0 | 0 | 0 | 113.6 | ||
| 1290 | G | 66.6 | Low | 55.3 | Low | 31 Ų | 31 | 110.8 Ų | 110.8 | 32% | 0.32 | 60% | 0.598 | S | S | . | * | trans | 123 | 7.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118 | E1319 | G1290-E1319 WeakPolarHBondContact O-CB 3.38Å; G1290-E1319 PolarHBondContact O-N 3.27Å | ||
| 1291 | Y | 75.5 | Confident | 57.8 | Low | 63 Ų | 63 | 100.9 Ų | 100.9 | 25% | 0.247 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.7 | -171.1 | -60.2 | -89.1 | 0 | 0 | 0 | 113.1 | E1318 A1325 V1329 P1331 | Y1291-E1318 HydrophobicContact CD1-CB 3.94Å; Y1291-E1318 HydrophobicContact CD1-CG 4.31Å; Y1291-E1318 HydrophobicContact CE1-CB 3.73Å; Y1291-E1318 HydrophobicContact CE1-CG 3.79Å; Y1291-E1318 PolarHBondContact OH-OE1 2.79Å; Y1291-E1318 VanDerWaalsContact OH-OE1 3.14Å; Y1291-A1325 HydrophobicContact CD1-CB 3.5Å; Y1291-A1325 HydrophobicContact CE1-CB 3.76Å; Y1291-V1329 HydrophobicContact CD1-CG1 4.15Å; Y1291-V1329 HydrophobicContact CD2-CB 4.49Å; Y1291-V1329 HydrophobicContact CD2-CG1 3.37Å; Y1291-V1329 HydrophobicContact CE1-CG1 4.33Å; Y1291-V1329 HydrophobicContact CE2-CG1 3.64Å; Y1291-V1329 HydrophobicContact CG-CB 4.34Å; Y1291-V1329 HydrophobicContact CG-CG1 3.66Å; Y1291-P1331 WeakPolarHBondContact O-CD 3.21Å |
| 1292 | V | 75.8 | Confident | 60.1 | Low | 43 Ų | 43 | 99.3 Ų | 99.3 | 26% | 0.261 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.7 | 152.3 | -170.5 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | V1317 E1319 C1330 | V1292-V1317 HydrophobicContact CG2-CG2 4.27Å; V1292-V1317 PolarHBondContact N-O 2.82Å; V1292-V1317 PolarHBondContact O-N 3.11Å; V1292-E1319 HydrophobicContact CG2-CB 4.34Å; V1292-C1330 VanDerWaalsContact C-SG 3.6Å; V1292-C1330 PolarHBondContact O-SG 3.47Å |
| 1293 | W | 82.7 | Confident | 61.9 | Low | 30 Ų | 30 | 100.3 Ų | 100.3 | 11% | 0.114 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 123.3 | 178.6 | -64.7 | 103.4 | 0 | 0 | 0 | 112 | V1314 Q1315 C1316 R1327 C1330 P1331 Q1335 P1336 | W1293-V1314 HydrophobicContact CE3-CG1 3.93Å; W1293-Q1315 WeakPolarHBondContact CA-O 3.05Å; W1293-C1316 HydrophobicContact CE3-CB 4.12Å; W1293-C1316 HydrophobicContact CH2-CB 4.34Å; W1293-C1316 HydrophobicContact CZ3-CB 3.91Å; W1293-R1327 HydrophobicContact CH2-CB 4.04Å; W1293-R1327 HydrophobicContact CH2-CG 3.97Å; W1293-R1327 HydrophobicContact CZ3-CG 4Å; W1293-C1330 HydrophobicContact CD2-CB 3.97Å; W1293-C1330 VanDerWaalsContact CE2-CB 3.44Å; W1293-C1330 HydrophobicContact CG-CB 4.42Å; W1293-C1330 HydrophobicContact CH2-CB 4.2Å; W1293-C1330 HydrophobicContact CZ2-CB 3.57Å; W1293-P1331 PolarHBondContact NE1-O 3.22Å; W1293-Q1335 HydrophobicContact CD2-CB 4.31Å; W1293-Q1335 HydrophobicContact CD2-CG 4.05Å; W1293-Q1335 HydrophobicContact CE3-CG 4.12Å; W1293-Q1335 HydrophobicContact CH2-CG 4.25Å; W1293-Q1335 HydrophobicContact CZ2-CB 4.14Å; W1293-Q1335 HydrophobicContact CZ2-CG 4.15Å; W1293-Q1335 HydrophobicContact CZ3-CG 4.22Å; W1293-P1336 HydrophobicContact CB-CG 4.23Å |
| 1294 | R | 76.3 | Confident | 64.1 | Low | 180 Ų | 180 | 95.1 Ų | 95.1 | 68% | 0.679 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 154.5 | 165.9 | -78.9 | -168 | 175.4 | -162.8 | -1.2 | 111.9 | V1314 Q1315 V1317 | R1294-V1314 WeakPolarHBondContact O-CA 3.24Å; R1294-Q1315 PolarHBondContact N-O 2.91Å; R1294-Q1315 PolarHBondContact O-N 3.35Å; R1294-V1317 HydrophobicContact CB-CG2 4.22Å; R1294-V1317 HydrophobicContact CG-CG2 3.78Å |
| 1295 | T | 75.8 | Confident | 66 | Low | 60 Ų | 60 | 88.6 Ų | 88.6 | 37% | 0.368 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.4 | 179 | 65.6 | 0 | 0 | 0 | 0 | 111 | R1312 L1313 V1314 P1336 | T1295-R1312 VanDerWaalsContact CB-NH1 3.29Å; T1295-R1312 PolarHBondContact OG1-NH1 3.28Å; T1295-L1313 WeakPolarHBondContact CA-O 3.47Å; T1295-V1314 HydrophobicContact CG2-CG1 4.48Å; T1295-V1314 HydrophobicContact CG2-CG2 4.07Å; T1295-P1336 HydrophobicContact CG2-CB 3.5Å; T1295-P1336 HydrophobicContact CG2-CG 3.58Å |
| 1296 | G | 75.7 | Confident | 66.9 | Low | 34 Ų | 34 | 86 Ų | 86 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | trans | -79.9 | -178.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | R1312 L1313 | G1296-R1312 WeakPolarHBondContact O-CD 3.04Å; G1296-L1313 PolarHBondContact N-O 3.3Å | ||
| 1297 | D | 77.2 | Confident | 68.2 | Low | 155 Ų | 155 | 87.3 Ų | 87.3 | 83% | 0.829 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 162.9 | 178.9 | -69.6 | -62.4 | 0 | 0 | 0 | 114.1 | R1312 | D1297-R1312 WeakPolarHBondContact O-CB 3.47Š|
| 1298 | W | 72.3 | Confident | 70 | Confident | 71 Ų | 71 | 81.8 Ų | 81.8 | 27% | 0.269 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 127.2 | 177.7 | -67.7 | 98.9 | 0 | 0 | 0 | 111.5 | Q1310 E1311 R1312 T1338 R1340 | W1298-Q1310 HydrophobicContact CB-CB 4.42Å; W1298-Q1310 HydrophobicContact CE3-CB 4.08Å; W1298-Q1310 WeakPolarHBondContact CZ3-O 3.1Å; W1298-E1311 WeakPolarHBondContact CA-O 3.04Å; W1298-R1312 HydrophobicContact CD2-CB 4.16Å; W1298-R1312 HydrophobicContact CD2-CG 4.08Å; W1298-R1312 HydrophobicContact CE3-CB 3.96Å; W1298-R1312 HydrophobicContact CE3-CG 3.87Å; W1298-R1312 HydrophobicContact CH2-CG 3.9Å; W1298-R1312 HydrophobicContact CZ2-CG 4.09Å; W1298-R1312 VanDerWaalsContact CZ2-NE 3.25Å; W1298-R1312 HydrophobicContact CZ3-CB 4.31Å; W1298-R1312 HydrophobicContact CZ3-CG 3.77Å; W1298-T1338 VanDerWaalsContact CZ3-O 3.28Å; W1298-T1338 WeakPolarHBondContact CZ3-O 3.47Å; W1298-R1340 HydrophobicContact CD2-CG 4.12Å; W1298-R1340 HydrophobicContact CE3-CB 4.46Å; W1298-R1340 HydrophobicContact CE3-CG 3.76Å; W1298-R1340 HydrophobicContact CH2-CB 3.81Å; W1298-R1340 HydrophobicContact CH2-CG 3.97Å; W1298-R1340 HydrophobicContact CZ2-CB 4.35Å; W1298-R1340 HydrophobicContact CZ2-CG 4.3Å; W1298-R1340 HydrophobicContact CZ3-CB 3.88Å; W1298-R1340 HydrophobicContact CZ3-CG 3.69Å |
| 1299 | S | 78 | Confident | 71.4 | Confident | 55 Ų | 55 | 78.7 Ų | 78.7 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 162.8 | 175.1 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | Q1310 E1311 | S1299-Q1310 WeakPolarHBondContact O-CB 3.05Å; S1299-Q1310 VanDerWaalsContact O-CG 3.24Å; S1299-Q1310 WeakPolarHBondContact O-CG 3.33Å; S1299-Q1310 PolarHBondContact O-NE2 2.9Å; S1299-E1311 PolarHBondContact N-O 3.04Å; S1299-E1311 PolarHBondContact OG-N 3.43Å; S1299-E1311 PolarHBondContact OG-O 3.13Å |
| 1300 | S | 76.6 | Confident | 72.6 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 77% | 0.769 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 148 | 172 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | S1302 | S1300-S1302 PolarHBondContact O-N 2.76Š|
| 1301 | C | 75.5 | Confident | 73 | Confident | 32 Ų | 32 | 78.2 Ų | 78.2 | 22% | 0.216 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 125.7 | 179.4 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | R1303 Q1310 C1342 | C1301-R1303 PolarHBondContact O-N 2.88Å; C1301-Q1310 HydrophobicContact CB-CG 4.34Å; C1301-C1342 WeakPolarHBondContact CA-SG 3.46Å; C1301-C1342 HydrophobicContact CB-CB 3.91Å; C1301-C1342 WeakPolarHBondContact CB-SG 3.46Å; C1301-C1342 WeakPolarHBondContact SG-CB 3.3Å; C1301-C1342 CovalentContact SG-SG 2.03Å; C1301-C1342 PolarHBondContact SG-SG 2.75Å |
| 1302 | S | 77.7 | Confident | 72.6 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 59% | 0.587 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -66.8 | 2.1 | -169.9 | 65.8 | 0 | 0 | 0 | 0 | 116.4 | S1300 I1309 | S1300-S1302 PolarHBondContact O-N 2.76Å; S1302-I1309 WeakPolarHBondContact CB-O 3.5Å; S1302-I1309 PolarHBondContact N-O 2.9Å; S1302-I1309 PolarHBondContact OG-N 2.85Å; S1302-I1309 PolarHBondContact OG-O 3.23Å |
| 1303 | R | 61.6 | Low | 72.5 | Confident | 140 Ų | 140 | 81 Ų | 81 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | trans | -142.4 | 140.1 | 173.1 | -59 | -161.1 | 74.9 | -162.3 | -0.8 | 110.9 | C1301 C1305 M1344 | C1301-R1303 PolarHBondContact O-N 2.88Å; R1303-C1305 VanDerWaalsContact C-N 3.34Å; R1303-C1305 PolarHBondContact O-N 3.04Å; R1303-M1344 VanDerWaalsContact O-SD 3.4Å | ||
| 1304 | T | 70.9 | Confident | 72.5 | Confident | 125 Ų | 125 | 80.3 Ų | 80.3 | 77% | 0.767 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -76.6 | -13.3 | 179.7 | 47.1 | 0 | 0 | 0 | 0 | 114.7 | M1344 | T1304-M1344 VanDerWaalsContact O-CE 3.24Å; T1304-M1344 WeakPolarHBondContact O-CE 3.28Å |
| 1305 | C | 68.7 | Low | 72.6 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -149.3 | 152 | 170 | 70.9 | 0 | 0 | 0 | 0 | 111 | R1303 Q1345 C1347 | R1303-C1305 VanDerWaalsContact C-N 3.34Å; R1303-C1305 PolarHBondContact O-N 3.04Å; C1305-Q1345 WeakPolarHBondContact CA-O 3.33Å; C1305-Q1345 WeakPolarHBondContact CB-O 3.26Å; C1305-C1347 HydrophobicContact CB-CB 3.96Å; C1305-C1347 WeakPolarHBondContact CB-SG 3.21Å; C1305-C1347 WeakPolarHBondContact SG-CB 3.48Å; C1305-C1347 CovalentContact SG-SG 2.04Å; C1305-C1347 PolarHBondContact SG-SG 3.28Å |
| 1306 | G | 52 | Low | 72.9 | Confident | 19 Ų | 19 | 72.8 Ų | 72.8 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 70.7 | -159.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1344 Q1345 | G1306-M1344 WeakPolarHBondContact CA-O 3.42Å; G1306-M1344 PolarHBondContact N-O 3.22Å; G1306-M1344 PolarHBondContact O-N 2.9Å; G1306-Q1345 PolarHBondContact N-O 3.16Å |
| 1307 | R | 62.1 | Low | 73 | Confident | 180 Ų | 180 | 71.9 Ų | 71.9 | 68% | 0.679 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.9 | -178.3 | -175.4 | -177.9 | -80.8 | -158.1 | -2.6 | 111.3 | C1342 M1343 | R1307-C1342 WeakPolarHBondContact CA-O 3.44Å; R1307-M1343 HydrophobicContact CB-SD 3.96Å |
| 1308 | G | 73.7 | Confident | 73 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | -167.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1342 | G1308-C1342 PolarHBondContact N-O 3.31Å; G1308-C1342 PolarHBondContact O-N 2.91Å |
| 1309 | I | 73.2 | Confident | 72.1 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.5 | 175.6 | -62.9 | 176.5 | 0 | 0 | 0 | 108.9 | S1302 E1311 H1339 R1340 C1342 | S1302-I1309 WeakPolarHBondContact CB-O 3.5Å; S1302-I1309 PolarHBondContact N-O 2.9Å; S1302-I1309 PolarHBondContact OG-N 2.85Å; S1302-I1309 PolarHBondContact OG-O 3.23Å; I1309-E1311 HydrophobicContact CG2-CG 4.12Å; I1309-H1339 HydrophobicContact CG2-CB 4.23Å; I1309-R1340 WeakPolarHBondContact CA-O 3.43Å; I1309-C1342 VanDerWaalsContact C-SG 3.53Å; I1309-C1342 PolarHBondContact N-SG 2.98Å |
| 1310 | Q | 77.4 | Confident | 71.5 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 145.4 | 163.6 | -60.7 | -179.1 | -87.3 | 0 | 0 | 108.8 | W1298 S1299 C1301 H1339 R1340 C1342 | W1298-Q1310 HydrophobicContact CB-CB 4.42Å; W1298-Q1310 HydrophobicContact CE3-CB 4.08Å; W1298-Q1310 WeakPolarHBondContact CZ3-O 3.1Å; S1299-Q1310 WeakPolarHBondContact O-CB 3.05Å; S1299-Q1310 VanDerWaalsContact O-CG 3.24Å; S1299-Q1310 WeakPolarHBondContact O-CG 3.33Å; S1299-Q1310 PolarHBondContact O-NE2 2.9Å; C1301-Q1310 HydrophobicContact CB-CG 4.34Å; Q1310-H1339 WeakPolarHBondContact O-CA 3.42Å; Q1310-R1340 HydrophobicContact CB-CG 4.01Å; Q1310-R1340 PolarHBondContact N-O 3.2Å; Q1310-R1340 PolarHBondContact O-N 2.86Å; Q1310-R1340 VanDerWaalsContact OE1-CZ 3.26Å; Q1310-C1342 HydrophobicContact CG-CB 3.96Å |
| 1311 | E | 73.4 | Confident | 71 | Confident | 108 Ų | 108 | 71.3 Ų | 71.3 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 156.2 | -175.8 | -59.3 | -175.4 | 161.3 | 0 | 0 | 109.9 | W1298 S1299 I1309 T1338 | W1298-E1311 WeakPolarHBondContact CA-O 3.04Å; S1299-E1311 PolarHBondContact N-O 3.04Å; S1299-E1311 PolarHBondContact OG-N 3.43Å; S1299-E1311 PolarHBondContact OG-O 3.13Å; I1309-E1311 HydrophobicContact CG2-CG 4.12Å; E1311-T1338 CarbonylContact C-O 3.4Å; E1311-T1338 WeakPolarHBondContact CA-O 3.38Å |
| 1312 | R | 67.3 | Low | 70.2 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 21% | 0.208 | 40% | 0.397 | C | S | . | . | trans | -147.9 | 151.5 | 173.9 | 66.2 | 171.8 | 178.2 | 165.5 | 4.3 | 112.4 | T1295 G1296 D1297 W1298 K1337 T1338 | T1295-R1312 VanDerWaalsContact CB-NH1 3.29Å; T1295-R1312 PolarHBondContact OG1-NH1 3.28Å; G1296-R1312 WeakPolarHBondContact O-CD 3.04Å; D1297-R1312 WeakPolarHBondContact O-CB 3.47Å; W1298-R1312 HydrophobicContact CD2-CB 4.16Å; W1298-R1312 HydrophobicContact CD2-CG 4.08Å; W1298-R1312 HydrophobicContact CE3-CB 3.96Å; W1298-R1312 HydrophobicContact CE3-CG 3.87Å; W1298-R1312 HydrophobicContact CH2-CG 3.9Å; W1298-R1312 HydrophobicContact CZ2-CG 4.09Å; W1298-R1312 VanDerWaalsContact CZ2-NE 3.25Å; W1298-R1312 HydrophobicContact CZ3-CB 4.31Å; W1298-R1312 HydrophobicContact CZ3-CG 3.77Å; R1312-K1337 PolarHBondContact NE-O 3.28Å; R1312-K1337 PolarHBondContact NH2-O 2.81Å; R1312-T1338 PolarHBondContact N-O 2.65Å | ||
| 1313 | L | 74.4 | Confident | 69.8 | Low | 111 Ų | 111 | 70.6 Ų | 70.6 | 58% | 0.581 | 39% | 0.386 | S | S | * | . | trans | -75.4 | 144.1 | 175.3 | -165.6 | 64.3 | 0 | 0 | 0 | 111.2 | T1295 G1296 Q1315 | T1295-L1313 WeakPolarHBondContact CA-O 3.47Å; G1296-L1313 PolarHBondContact N-O 3.3Å; L1313-Q1315 HydrophobicContact CD2-CG 4.24Å; L1313-Q1315 HydrophobicContact CG-CG 4.17Å | ||
| 1314 | V | 81.9 | Confident | 69.9 | Low | 14 Ų | 14 | 69.6 Ų | 69.6 | 9% | 0.085 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 123.3 | 176.8 | 179 | 0 | 0 | 0 | 0 | 108.3 | W1293 R1294 T1295 Q1335 P1336 T1338 | W1293-V1314 HydrophobicContact CE3-CG1 3.93Å; R1294-V1314 WeakPolarHBondContact O-CA 3.24Å; T1295-V1314 HydrophobicContact CG2-CG1 4.48Å; T1295-V1314 HydrophobicContact CG2-CG2 4.07Å; V1314-Q1335 HydrophobicContact CG1-CG 4.12Å; V1314-P1336 HydrophobicContact CG1-CG 4.46Å; V1314-T1338 HydrophobicContact CB-CG2 4.26Å; V1314-T1338 HydrophobicContact CG2-CG2 3.77Å |
| 1315 | Q | 79.5 | Confident | 69.7 | Low | 82 Ų | 82 | 64.2 Ų | 64.2 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.5 | -171.7 | -76.1 | 168.9 | -51 | 0 | 0 | 111 | W1293 R1294 L1313 L1324 | W1293-Q1315 WeakPolarHBondContact CA-O 3.05Å; R1294-Q1315 PolarHBondContact N-O 2.91Å; R1294-Q1315 PolarHBondContact O-N 3.35Å; L1313-Q1315 HydrophobicContact CD2-CG 4.24Å; L1313-Q1315 HydrophobicContact CG-CG 4.17Å; Q1315-L1324 HydrophobicContact CB-CD1 3.78Å; Q1315-L1324 HydrophobicContact CG-CD1 3.83Å |
| 1316 | C | 81.6 | Confident | 69.5 | Low | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.8 | 170.6 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | W1293 A1325 C1330 | W1293-C1316 HydrophobicContact CE3-CB 4.12Å; W1293-C1316 HydrophobicContact CH2-CB 4.34Å; W1293-C1316 HydrophobicContact CZ3-CB 3.91Å; C1316-A1325 PolarHBondContact O-N 2.96Å; C1316-C1330 WeakPolarHBondContact CA-SG 3.21Å; C1316-C1330 HydrophobicContact CB-CB 3.84Å; C1316-C1330 WeakPolarHBondContact CB-SG 3.36Å; C1316-C1330 WeakPolarHBondContact SG-CB 3.42Å; C1316-C1330 PolarHBondContact SG-N 3.31Å; C1316-C1330 CovalentContact SG-SG 2.02Å; C1316-C1330 PolarHBondContact SG-SG 3.02Å |
| 1317 | V | 78.4 | Confident | 70.1 | Confident | 15 Ų | 15 | 72.5 Ų | 72.5 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 151.4 | 179.5 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | V1292 R1294 S1323 L1324 | V1292-V1317 HydrophobicContact CG2-CG2 4.27Å; V1292-V1317 PolarHBondContact N-O 2.82Å; V1292-V1317 PolarHBondContact O-N 3.11Å; R1294-V1317 HydrophobicContact CB-CG2 4.22Å; R1294-V1317 HydrophobicContact CG-CG2 3.78Å; V1317-S1323 WeakPolarHBondContact CA-O 3.38Å; V1317-S1323 WeakPolarHBondContact CB-O 3.44Å; V1317-L1324 HydrophobicContact CG1-CD1 4.4Å |
| 1318 | E | 76 | Confident | 70.3 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 29% | 0.285 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 135.5 | 178 | -174.7 | 173.7 | -123.7 | 0 | 0 | 111.7 | Y1291 G1320 T1321 G1322 S1323 | Y1291-E1318 HydrophobicContact CD1-CB 3.94Å; Y1291-E1318 HydrophobicContact CD1-CG 4.31Å; Y1291-E1318 HydrophobicContact CE1-CB 3.73Å; Y1291-E1318 HydrophobicContact CE1-CG 3.79Å; Y1291-E1318 PolarHBondContact OH-OE1 2.79Å; Y1291-E1318 VanDerWaalsContact OH-OE1 3.14Å; E1318-G1320 VanDerWaalsContact C-N 3.33Å; E1318-G1320 PolarHBondContact O-N 3.14Å; E1318-T1321 WeakPolarHBondContact CB-OG1 3.41Å; E1318-T1321 WeakPolarHBondContact OE2-CG2 3.47Å; E1318-T1321 PolarHBondContact OE2-OG1 3.49Å; E1318-G1322 PolarHBondContact O-N 3.3Å; E1318-S1323 WeakPolarHBondContact CB-OG 3.36Å; E1318-S1323 PolarHBondContact N-O 2.91Å; E1318-S1323 VanDerWaalsContact N-O 3.1Å; E1318-S1323 PolarHBondContact OE2-OG 3.48Å |
| 1319 | E | 53.8 | Low | 70.2 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 66% | 0.659 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 74.2 | -170.3 | -166.9 | 159.7 | -129.2 | 0 | 0 | 112.2 | G1290 V1292 | G1290-E1319 WeakPolarHBondContact O-CB 3.38Å; G1290-E1319 PolarHBondContact O-N 3.27Å; V1292-E1319 HydrophobicContact CG2-CB 4.34Å |
| 1320 | G | 65.4 | Low | 70.3 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 81% | 0.814 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 158 | -44.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1318 | E1318-G1320 VanDerWaalsContact C-N 3.33Å; E1318-G1320 PolarHBondContact O-N 3.14Å |
| 1321 | T | 65.8 | Low | 69.9 | Low | 98 Ų | 98 | 68.6 Ų | 68.6 | 60% | 0.601 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -27.2 | 176.8 | 61 | 0 | 0 | 0 | 0 | 112.6 | E1318 S1323 | E1318-T1321 WeakPolarHBondContact CB-OG1 3.41Å; E1318-T1321 WeakPolarHBondContact OE2-CG2 3.47Å; E1318-T1321 PolarHBondContact OE2-OG1 3.49Å; T1321-S1323 PolarHBondContact O-N 2.03Å; T1321-S1323 WeakPolarHBondContact OG1-CB 3.47Å; T1321-S1323 PolarHBondContact OG1-N 3.26Å; T1321-S1323 VanDerWaalsContact OG1-N 3.11Å; T1321-S1323 PolarHBondContact OG1-OG 2.92Å |
| 1322 | G | 60.1 | Low | 69.2 | Low | 50 Ų | 50 | 70 Ų | 70 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | trans | 69.8 | 12.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1318 | E1318-G1322 PolarHBondContact O-N 3.3Š| ||
| 1323 | S | 69 | Low | 69 | Low | 50 Ų | 50 | 76.8 Ų | 76.8 | 35% | 0.35 | 43% | 0.43 | S | S | . | . | trans | -61.9 | 146.2 | 179.1 | 76.1 | 0 | 0 | 0 | 0 | 111.3 | V1317 E1318 T1321 A1325 | V1317-S1323 WeakPolarHBondContact CA-O 3.38Å; V1317-S1323 WeakPolarHBondContact CB-O 3.44Å; E1318-S1323 WeakPolarHBondContact CB-OG 3.36Å; E1318-S1323 PolarHBondContact N-O 2.91Å; E1318-S1323 VanDerWaalsContact N-O 3.1Å; E1318-S1323 PolarHBondContact OE2-OG 3.48Å; T1321-S1323 PolarHBondContact O-N 2.03Å; T1321-S1323 WeakPolarHBondContact OG1-CB 3.47Å; T1321-S1323 PolarHBondContact OG1-N 3.26Å; T1321-S1323 VanDerWaalsContact OG1-N 3.11Å; T1321-S1323 PolarHBondContact OG1-OG 2.92Å; S1323-A1325 PolarHBondContact O-N 2.73Å | ||
| 1324 | L | 62.4 | Low | 68.8 | Low | 120 Ų | 120 | 76.5 Ų | 76.5 | 63% | 0.628 | 43% | 0.426 | S | S | * | . | B | Isolated β-bridge | trans | -81.6 | 107.4 | -179.3 | -169.9 | 76.2 | 0 | 0 | 0 | 110.1 | Q1315 V1317 | Q1315-L1324 HydrophobicContact CB-CD1 3.78Å; Q1315-L1324 HydrophobicContact CG-CD1 3.83Å; V1317-L1324 HydrophobicContact CG1-CD1 4.4Å |
| 1325 | A | 66.6 | Low | 68.4 | Low | 11 Ų | 11 | 78.5 Ų | 78.5 | 9% | 0.091 | 43% | 0.434 | C | S | . | . | trans | -93.7 | 151.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1291 C1316 S1323 R1327 | Y1291-A1325 HydrophobicContact CD1-CB 3.5Å; Y1291-A1325 HydrophobicContact CE1-CB 3.76Å; C1316-A1325 PolarHBondContact O-N 2.96Å; S1323-A1325 PolarHBondContact O-N 2.73Å; A1325-R1327 PolarHBondContact O-N 2.97Å | ||
| 1326 | P | 65.3 | Low | 68.4 | Low | 85 Ų | 85 | 76.4 Ų | 76.4 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | trans | -58.5 | 137.7 | 174.4 | -22.5 | 33 | 0 | 0 | 0 | 111.8 | S1328 V1329 | P1326-S1328 PolarHBondContact O-N 3.04Å; P1326-V1329 HydrophobicContact CB-CG2 4.19Å; P1326-V1329 HydrophobicContact CG-CG2 4.4Å; P1326-V1329 PolarHBondContact O-N 3.09Å | ||
| 1327 | R | 65.5 | Low | 67.5 | Low | 143 Ų | 143 | 84.6 Ų | 84.6 | 54% | 0.54 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -14.6 | -175.6 | -76.5 | -173.9 | 62.9 | -153.3 | -4.7 | 115.2 | W1293 A1325 | W1293-R1327 HydrophobicContact CH2-CB 4.04Å; W1293-R1327 HydrophobicContact CH2-CG 3.97Å; W1293-R1327 HydrophobicContact CZ3-CG 4Å; A1325-R1327 PolarHBondContact O-N 2.97Å |
| 1328 | S | 65.5 | Low | 67.3 | Low | 111 Ų | 111 | 86 Ų | 86 | 78% | 0.776 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -19.7 | 174.2 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | P1326 | P1326-S1328 PolarHBondContact O-N 3.04Š|
| 1329 | V | 72.3 | Confident | 67.4 | Low | 61 Ų | 61 | 88.5 Ų | 88.5 | 37% | 0.37 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -34.4 | -175.8 | -165.1 | 0 | 0 | 0 | 0 | 111.7 | Y1291 P1326 | Y1291-V1329 HydrophobicContact CD1-CG1 4.15Å; Y1291-V1329 HydrophobicContact CD2-CB 4.49Å; Y1291-V1329 HydrophobicContact CD2-CG1 3.37Å; Y1291-V1329 HydrophobicContact CE1-CG1 4.33Å; Y1291-V1329 HydrophobicContact CE2-CG1 3.64Å; Y1291-V1329 HydrophobicContact CG-CB 4.34Å; Y1291-V1329 HydrophobicContact CG-CG1 3.66Å; P1326-V1329 HydrophobicContact CB-CG2 4.19Å; P1326-V1329 HydrophobicContact CG-CG2 4.4Å; P1326-V1329 PolarHBondContact O-N 3.09Å |
| 1330 | C | 75.5 | Confident | 68.3 | Low | 4 Ų | 4 | 86.9 Ų | 86.9 | 3% | 0.027 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -71.4 | 143 | 173.2 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | V1292 W1293 C1316 H1332 | V1292-C1330 VanDerWaalsContact C-SG 3.6Å; V1292-C1330 PolarHBondContact O-SG 3.47Å; W1293-C1330 HydrophobicContact CD2-CB 3.97Å; W1293-C1330 VanDerWaalsContact CE2-CB 3.44Å; W1293-C1330 HydrophobicContact CG-CB 4.42Å; W1293-C1330 HydrophobicContact CH2-CB 4.2Å; W1293-C1330 HydrophobicContact CZ2-CB 3.57Å; C1316-C1330 WeakPolarHBondContact CA-SG 3.21Å; C1316-C1330 HydrophobicContact CB-CB 3.84Å; C1316-C1330 WeakPolarHBondContact CB-SG 3.36Å; C1316-C1330 WeakPolarHBondContact SG-CB 3.42Å; C1316-C1330 PolarHBondContact SG-N 3.31Å; C1316-C1330 CovalentContact SG-SG 2.02Å; C1316-C1330 PolarHBondContact SG-SG 3.02Å; C1330-H1332 PolarHBondContact O-N 3.45Å |
| 1331 | P | 67.1 | Low | 68.3 | Low | 41 Ų | 41 | 87.7 Ų | 87.7 | 27% | 0.266 | 46% | 0.462 | S | S | . | . | trans | -61.6 | 110.3 | 177.6 | 23.1 | -32.4 | 0 | 0 | 0 | 111.8 | Y1291 W1293 Y1333 Q1334 | Y1291-P1331 WeakPolarHBondContact O-CD 3.21Å; W1293-P1331 PolarHBondContact NE1-O 3.22Å; P1331-Y1333 HydrophobicContact CB-CD1 3.95Å; P1331-Y1333 HydrophobicContact CB-CE1 3.47Å; P1331-Y1333 VanDerWaalsContact CB-CE1 3.47Å; P1331-Y1333 PolarHBondContact O-N 3.08Å; P1331-Y1333 VanDerWaalsContact O-N 3.12Å; P1331-Q1334 HydrophobicContact CB-CG 4.49Å; P1331-Q1334 HydrophobicContact CG-CG 4.3Å; P1331-Q1334 PolarHBondContact O-N 3.39Å; P1331-Q1334 VanDerWaalsContact O-N 3.08Å | ||
| 1332 | H | 60.5 | Low | 68.5 | Low | 136 Ų | 136 | 83.9 Ų | 83.9 | 63% | 0.63 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -61.9 | -24.6 | -172.8 | -163.4 | -47.1 | 0 | 0 | 0 | 113.6 | C1330 Q1334 Q1335 | C1330-H1332 PolarHBondContact O-N 3.45Å; H1332-Q1334 PolarHBondContact O-N 3.36Å; H1332-Q1335 PolarHBondContact O-N 3.12Å |
| 1333 | Y | 62.9 | Low | 68.2 | Low | 198 Ų | 198 | 88.2 Ų | 88.2 | 78% | 0.776 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -71.7 | -12.4 | 178.4 | 66.3 | -93.3 | 0 | 0 | 0 | 113.9 | P1331 | P1331-Y1333 HydrophobicContact CB-CD1 3.95Å; P1331-Y1333 HydrophobicContact CB-CE1 3.47Å; P1331-Y1333 VanDerWaalsContact CB-CE1 3.47Å; P1331-Y1333 PolarHBondContact O-N 3.08Å; P1331-Y1333 VanDerWaalsContact O-N 3.12Å |
| 1334 | Q | 69.1 | Low | 67.6 | Low | 106 Ų | 106 | 90.1 Ų | 90.1 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -99.2 | -0.4 | 177.2 | -59.3 | -169.8 | -0.9 | 0 | 0 | 113.9 | P1331 H1332 P1336 | P1331-Q1334 HydrophobicContact CB-CG 4.49Å; P1331-Q1334 HydrophobicContact CG-CG 4.3Å; P1331-Q1334 PolarHBondContact O-N 3.39Å; P1331-Q1334 VanDerWaalsContact O-N 3.08Å; H1332-Q1334 PolarHBondContact O-N 3.36Å; Q1334-P1336 VanDerWaalsContact O-CD 3.25Å; Q1334-P1336 WeakPolarHBondContact O-CD 3.49Å |
| 1335 | Q | 74.4 | Confident | 67.2 | Low | 56 Ų | 56 | 92.8 Ų | 92.8 | 26% | 0.262 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 122.6 | -169.7 | -168.7 | -175.9 | -23.3 | 0 | 0 | 112.6 | W1293 V1314 H1332 | W1293-Q1335 HydrophobicContact CD2-CB 4.31Å; W1293-Q1335 HydrophobicContact CD2-CG 4.05Å; W1293-Q1335 HydrophobicContact CE3-CG 4.12Å; W1293-Q1335 HydrophobicContact CH2-CG 4.25Å; W1293-Q1335 HydrophobicContact CZ2-CB 4.14Å; W1293-Q1335 HydrophobicContact CZ2-CG 4.15Å; W1293-Q1335 HydrophobicContact CZ3-CG 4.22Å; V1314-Q1335 HydrophobicContact CG1-CG 4.12Å; H1332-Q1335 PolarHBondContact O-N 3.12Å |
| 1336 | P | 78.5 | Confident | 66.1 | Low | 37 Ų | 37 | 101.3 Ų | 101.3 | 24% | 0.24 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 151.4 | 177.1 | -24.5 | 36 | 0 | 0 | 0 | 114.4 | W1293 T1295 V1314 Q1334 | W1293-P1336 HydrophobicContact CB-CG 4.23Å; T1295-P1336 HydrophobicContact CG2-CB 3.5Å; T1295-P1336 HydrophobicContact CG2-CG 3.58Å; V1314-P1336 HydrophobicContact CG1-CG 4.46Å; Q1334-P1336 VanDerWaalsContact O-CD 3.25Å; Q1334-P1336 WeakPolarHBondContact O-CD 3.49Å |
| 1337 | K | 64.3 | Low | 65.5 | Low | 173 Ų | 173 | 100.8 Ų | 100.8 | 75% | 0.752 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 136.7 | 175.2 | -64.6 | -177.4 | 179.6 | 180 | 0 | 112.2 | R1312 | R1312-K1337 PolarHBondContact NE-O 3.28Å; R1312-K1337 PolarHBondContact NH2-O 2.81Å |
| 1338 | T | 74.2 | Confident | 64.5 | Low | 44 Ų | 44 | 102.3 Ų | 102.3 | 27% | 0.27 | 51% | 0.512 | S | S | . | . | trans | -92.4 | -26.2 | -179.2 | 52 | 0 | 0 | 0 | 0 | 114.6 | W1298 E1311 R1312 V1314 | W1298-T1338 VanDerWaalsContact CZ3-O 3.28Å; W1298-T1338 WeakPolarHBondContact CZ3-O 3.47Å; E1311-T1338 CarbonylContact C-O 3.4Å; E1311-T1338 WeakPolarHBondContact CA-O 3.38Å; R1312-T1338 PolarHBondContact N-O 2.65Å; V1314-T1338 HydrophobicContact CB-CG2 4.26Å; V1314-T1338 HydrophobicContact CG2-CG2 3.77Å | ||
| 1339 | H | 76.3 | Confident | 63.7 | Low | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.9 | -174.9 | -38.4 | 137 | 0 | 0 | 0 | 111.2 | I1309 Q1310 | I1309-H1339 HydrophobicContact CG2-CB 4.23Å; Q1310-H1339 WeakPolarHBondContact O-CA 3.42Å |
| 1340 | R | 73.5 | Confident | 62.5 | Low | 107 Ų | 107 | 102 Ų | 102 | 40% | 0.404 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 145.9 | 169.8 | 75.4 | -179.4 | -165.2 | -171.8 | 7.9 | 111.6 | W1298 I1309 Q1310 | W1298-R1340 HydrophobicContact CD2-CG 4.12Å; W1298-R1340 HydrophobicContact CE3-CB 4.46Å; W1298-R1340 HydrophobicContact CE3-CG 3.76Å; W1298-R1340 HydrophobicContact CH2-CB 3.81Å; W1298-R1340 HydrophobicContact CH2-CG 3.97Å; W1298-R1340 HydrophobicContact CZ2-CB 4.35Å; W1298-R1340 HydrophobicContact CZ2-CG 4.3Å; W1298-R1340 HydrophobicContact CZ3-CB 3.88Å; W1298-R1340 HydrophobicContact CZ3-CG 3.69Å; I1309-R1340 WeakPolarHBondContact CA-O 3.43Å; Q1310-R1340 HydrophobicContact CB-CG 4.01Å; Q1310-R1340 PolarHBondContact N-O 3.2Å; Q1310-R1340 PolarHBondContact O-N 2.86Å; Q1310-R1340 VanDerWaalsContact OE1-CZ 3.26Å |
| 1341 | P | 65.8 | Low | 61.6 | Low | 96 Ų | 96 | 104 Ų | 104 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 145.2 | 172.6 | 30.6 | -34.4 | 0 | 0 | 0 | 111.3 | ||
| 1342 | C | 70.1 | Confident | 61.5 | Low | 19 Ų | 19 | 103.3 Ų | 103.3 | 13% | 0.128 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 164.2 | 169.7 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | C1301 R1307 G1308 I1309 Q1310 | C1301-C1342 WeakPolarHBondContact CA-SG 3.46Å; C1301-C1342 HydrophobicContact CB-CB 3.91Å; C1301-C1342 WeakPolarHBondContact CB-SG 3.46Å; C1301-C1342 WeakPolarHBondContact SG-CB 3.3Å; C1301-C1342 CovalentContact SG-SG 2.03Å; C1301-C1342 PolarHBondContact SG-SG 2.75Å; R1307-C1342 WeakPolarHBondContact CA-O 3.44Å; G1308-C1342 PolarHBondContact N-O 3.31Å; G1308-C1342 PolarHBondContact O-N 2.91Å; I1309-C1342 VanDerWaalsContact C-SG 3.53Å; I1309-C1342 PolarHBondContact N-SG 2.98Å; Q1310-C1342 HydrophobicContact CG-CB 3.96Å |
| 1343 | M | 53.8 | Low | 62.1 | Low | 141 Ų | 141 | 100 Ų | 100 | 70% | 0.695 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 110.1 | 177.7 | -166.2 | 106.1 | 78.7 | 0 | 0 | 109.3 | R1307 | R1307-M1343 HydrophobicContact CB-SD 3.96Å |
| 1344 | M | 56.1 | Low | 62.9 | Low | 90 Ų | 90 | 92 Ų | 92 | 44% | 0.443 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -83 | 163.9 | 162.5 | -76 | -158.9 | 65.8 | 0 | 0 | 110.2 | R1303 T1304 G1306 | R1303-M1344 VanDerWaalsContact O-SD 3.4Å; T1304-M1344 VanDerWaalsContact O-CE 3.24Å; T1304-M1344 WeakPolarHBondContact O-CE 3.28Å; G1306-M1344 WeakPolarHBondContact CA-O 3.42Å; G1306-M1344 PolarHBondContact N-O 3.22Å; G1306-M1344 PolarHBondContact O-N 2.9Å |
| 1345 | Q | 54.2 | Low | 62.9 | Low | 175 Ų | 175 | 94 Ų | 94 | 82% | 0.818 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 167 | -174.1 | -66.6 | -167 | -8.5 | 0 | 0 | 112.6 | C1305 G1306 C1347 | C1305-Q1345 WeakPolarHBondContact CA-O 3.33Å; C1305-Q1345 WeakPolarHBondContact CB-O 3.26Å; G1306-Q1345 PolarHBondContact N-O 3.16Å; Q1345-C1347 PolarHBondContact O-N 2.9Å |
| 1346 | K | 43.2 | Very low | 62.7 | Low | 191 Ų | 191 | 93.6 Ų | 93.6 | 83% | 0.83 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 131.5 | -174.3 | -74.4 | -177.2 | 174.2 | -179.1 | 0 | 111.1 | L1348 | K1346-L1348 PolarHBondContact O-N 2.84Š|
| 1347 | C | 52 | Low | 62.4 | Low | 73 Ų | 73 | 93.6 Ų | 93.6 | 49% | 0.493 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 119.3 | 167.8 | -43.3 | 0 | 0 | 0 | 0 | 108.9 | C1305 Q1345 | C1305-C1347 HydrophobicContact CB-CB 3.96Å; C1305-C1347 WeakPolarHBondContact CB-SG 3.21Å; C1305-C1347 WeakPolarHBondContact SG-CB 3.48Å; C1305-C1347 CovalentContact SG-SG 2.04Å; C1305-C1347 PolarHBondContact SG-SG 3.28Å; Q1345-C1347 PolarHBondContact O-N 2.9Å |
| 1348 | L | 45.2 | Very low | 63.1 | Low | 176 Ų | 176 | 95.2 Ų | 95.2 | 92% | 0.921 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 128.4 | 172.9 | -63.8 | 168.8 | 0 | 0 | 0 | 108.3 | K1346 | K1346-L1348 PolarHBondContact O-N 2.84Š|
| 1349 | G | 48.3 | Very low | 63.1 | Low | 79 Ų | 79 | 96.4 Ų | 96.4 | 81% | 0.814 | 50% | 0.503 | S | S | * | . | trans | 154.7 | -17.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1350 | T | 48.1 | Very low | 63 | Low | 85 Ų | 85 | 93 Ų | 93 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | trans | -109.6 | 107.9 | -171.7 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | T1352 | T1350-T1352 PolarHBondContact O-N 2.85Š| ||
| 1351 | S | 56 | Low | 63 | Low | 46 Ų | 46 | 93.5 Ų | 93.5 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | trans | -79.3 | 49.9 | 176.3 | -163.1 | 0 | 0 | 0 | 0 | 113.6 | K1379 V1380 D1381 | S1351-K1379 WeakPolarHBondContact O-CA 3.41Å; S1351-K1379 VanDerWaalsContact O-CG 3.3Å; S1351-K1379 WeakPolarHBondContact O-CG 3.08Å; S1351-V1380 PolarHBondContact O-N 3.19Å; S1351-V1380 WeakPolarHBondContact OG-CB 3.24Å; S1351-D1381 PolarHBondContact OG-OD1 3.06Å; S1351-D1381 VanDerWaalsContact OG-OD1 3.06Å; S1351-D1381 PolarHBondContact OG-OD2 2.89Å | ||
| 1352 | T | 64.7 | Low | 63.5 | Low | 27 Ų | 27 | 90.2 Ų | 90.2 | 17% | 0.166 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 149 | 172.8 | 62.3 | 0 | 0 | 0 | 0 | 111 | T1350 L1386 D1390 L1394 | T1350-T1352 PolarHBondContact O-N 2.85Å; T1352-L1386 HydrophobicContact CG2-CD1 3.88Å; T1352-D1390 HydrophobicContact CG2-CB 4.38Å; T1352-D1390 WeakPolarHBondContact CG2-O 3.49Å; T1352-D1390 PolarHBondContact OG1-O 2.9Å; T1352-L1394 WeakPolarHBondContact O-CD1 3.31Å |
| 1353 | Q | 74.1 | Confident | 63.8 | Low | 67 Ų | 67 | 93 Ų | 93 | 31% | 0.313 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 150.9 | 176.2 | 64.8 | 171.6 | -33.9 | 0 | 0 | 112.9 | R1355 V1378 V1380 | Q1353-R1355 PolarHBondContact O-N 3.41Å; Q1353-V1378 HydrophobicContact CG-CG2 3.78Å; Q1353-V1378 PolarHBondContact N-O 2.96Å; Q1353-V1378 WeakPolarHBondContact O-CG2 3.42Å; Q1353-V1378 PolarHBondContact O-N 2.9Å; Q1353-V1380 HydrophobicContact CB-CG2 4.03Å; Q1353-V1380 HydrophobicContact CG-CG2 3.81Å |
| 1354 | W | 79.4 | Confident | 64.2 | Low | 30 Ų | 30 | 88.5 Ų | 88.5 | 11% | 0.114 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 97.9 | 173 | -68.9 | 110.9 | 0 | 0 | 0 | 112 | V1375 C1377 D1388 C1391 L1394 K1396 P1397 | W1354-V1375 HydrophobicContact CB-CG1 4.35Å; W1354-V1375 HydrophobicContact CE3-CG1 3.97Å; W1354-C1377 HydrophobicContact CE3-CB 4.09Å; W1354-C1377 HydrophobicContact CH2-CB 4.12Å; W1354-C1377 HydrophobicContact CZ3-CB 3.73Å; W1354-C1377 VanDerWaalsContact CZ3-N 3.33Å; W1354-D1388 HydrophobicContact CH2-CB 4.19Å; W1354-D1388 VanDerWaalsContact CH2-OD1 3.27Å; W1354-D1388 WeakPolarHBondContact CH2-OD1 3.06Å; W1354-D1388 WeakPolarHBondContact CZ3-OD1 3.25Å; W1354-C1391 HydrophobicContact CD2-CB 3.81Å; W1354-C1391 HydrophobicContact CE3-CB 4.34Å; W1354-C1391 HydrophobicContact CG-CB 4.35Å; W1354-C1391 HydrophobicContact CH2-CB 3.88Å; W1354-C1391 HydrophobicContact CZ2-CB 3.34Å; W1354-C1391 HydrophobicContact CZ3-CB 4.36Å; W1354-C1391 PolarHBondContact NE1-O 2.8Å; W1354-L1394 PolarHBondContact NE1-O 2.85Å; W1354-K1396 HydrophobicContact CD2-CB 4.2Å; W1354-K1396 HydrophobicContact CD2-CD 4.43Å; W1354-K1396 HydrophobicContact CD2-CG 3.87Å; W1354-K1396 HydrophobicContact CE3-CD 4.17Å; W1354-K1396 HydrophobicContact CE3-CG 3.97Å; W1354-K1396 HydrophobicContact CH2-CB 4.46Å; W1354-K1396 HydrophobicContact CH2-CD 3.47Å; W1354-K1396 VanDerWaalsContact CH2-CD 3.47Å; W1354-K1396 HydrophobicContact CH2-CG 3.97Å; W1354-K1396 HydrophobicContact CZ2-CB 3.8Å; W1354-K1396 HydrophobicContact CZ2-CD 3.7Å; W1354-K1396 HydrophobicContact CZ2-CG 3.8Å; W1354-K1396 HydrophobicContact CZ3-CD 3.7Å; W1354-K1396 VanDerWaalsContact CZ3-CE 3.41Å; W1354-K1396 HydrophobicContact CZ3-CG 4.04Å; W1354-K1396 VanDerWaalsContact CZ3-NZ 3.32Å; W1354-P1397 HydrophobicContact CB-CG 3.55Å; W1354-P1397 HydrophobicContact CG-CG 4.23Å |
| 1355 | R | 69.3 | Low | 64.7 | Low | 148 Ų | 148 | 90.4 Ų | 90.4 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 134.4 | 170.8 | -81.4 | -168.2 | -177.4 | -153.4 | 5.2 | 110.9 | Q1353 V1375 Q1376 V1378 | Q1353-R1355 PolarHBondContact O-N 3.41Å; R1355-V1375 WeakPolarHBondContact O-CA 3.24Å; R1355-Q1376 PolarHBondContact N-O 2.79Å; R1355-Q1376 PolarHBondContact O-N 2.73Å; R1355-Q1376 VanDerWaalsContact O-N 3.07Å; R1355-V1378 HydrophobicContact CB-CG2 4.1Å; R1355-V1378 HydrophobicContact CG-CG2 3.67Å |
| 1356 | S | 69.4 | Low | 65.6 | Low | 48 Ų | 48 | 83.7 Ų | 83.7 | 34% | 0.336 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.6 | -179.4 | -70.2 | 0 | 0 | 0 | 0 | 110.5 | R1373 P1397 | S1356-R1373 VanDerWaalsContact CB-NH1 3.34Å; S1356-P1397 WeakPolarHBondContact OG-CB 3.35Å |
| 1357 | G | 73.1 | Confident | 66.4 | Low | 37 Ų | 37 | 75.3 Ų | 75.3 | 38% | 0.381 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 172.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1373 R1374 | G1357-R1373 WeakPolarHBondContact O-CD 3.09Å; G1357-R1374 PolarHBondContact N-O 2.8Å |
| 1358 | K | 77.8 | Confident | 67.4 | Low | 206 Ų | 206 | 81.3 Ų | 81.3 | 90% | 0.896 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 144.8 | 169.1 | -70.3 | -175.6 | 179.7 | 178.4 | 0 | 109.9 | R1373 | K1358-R1373 WeakPolarHBondContact O-CB 3.49Š|
| 1359 | W | 73.8 | Confident | 68.9 | Low | 70 Ų | 70 | 73.5 Ų | 73.5 | 27% | 0.265 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 142.6 | 170.8 | -69.4 | 107.1 | 0 | 0 | 0 | 110.7 | R1371 R1373 P1398 H1401 | W1359-R1371 HydrophobicContact CB-CB 4.39Å; W1359-R1371 HydrophobicContact CB-CG 4.28Å; W1359-R1371 HydrophobicContact CD2-CG 4Å; W1359-R1371 HydrophobicContact CE3-CB 4.2Å; W1359-R1371 HydrophobicContact CE3-CG 3.75Å; W1359-R1371 HydrophobicContact CG-CG 4.26Å; W1359-R1371 HydrophobicContact CZ3-CG 4.43Å; W1359-R1371 VanDerWaalsContact CZ3-O 3.26Å; W1359-R1371 WeakPolarHBondContact CZ3-O 3.45Å; W1359-R1373 HydrophobicContact CD2-CB 4.16Å; W1359-R1373 HydrophobicContact CD2-CG 4.11Å; W1359-R1373 HydrophobicContact CE3-CB 3.76Å; W1359-R1373 HydrophobicContact CE3-CG 3.73Å; W1359-R1373 HydrophobicContact CH2-CG 3.88Å; W1359-R1373 HydrophobicContact CZ2-CG 4.27Å; W1359-R1373 VanDerWaalsContact CZ2-CZ 3.41Å; W1359-R1373 HydrophobicContact CZ3-CB 4.1Å; W1359-R1373 HydrophobicContact CZ3-CG 3.6Å; W1359-P1398 WeakPolarHBondContact CH2-O 3.35Å; W1359-H1401 HydrophobicContact CE3-CB 4.23Å; W1359-H1401 HydrophobicContact CH2-CB 3.24Å; W1359-H1401 HydrophobicContact CZ2-CB 3.62Å; W1359-H1401 HydrophobicContact CZ3-CB 3.58Å |
| 1360 | S | 75.6 | Confident | 70.3 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 165.5 | 165.1 | 74.1 | 0 | 0 | 0 | 0 | 111.5 | R1371 S1372 | S1360-R1371 WeakPolarHBondContact O-CB 3.2Å; S1360-R1371 WeakPolarHBondContact OG-CA 3.39Å; S1360-S1372 WeakPolarHBondContact CB-O 3.23Å; S1360-S1372 PolarHBondContact N-O 2.9Å; S1360-S1372 PolarHBondContact OG-N 3.04Å; S1360-S1372 PolarHBondContact OG-O 2.99Å |
| 1361 | P | 73 | Confident | 71.5 | Confident | 117 Ų | 117 | 72.3 Ų | 72.3 | 76% | 0.76 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 157.2 | 154.8 | -25.1 | 35.5 | 0 | 0 | 0 | 111.7 | ||
| 1362 | C | 77.2 | Confident | 72.3 | Confident | 27 Ų | 27 | 72.9 Ų | 72.9 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.7 | 174.1 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | V1364 C1403 M1405 | C1362-V1364 PolarHBondContact O-N 2.72Å; C1362-C1403 WeakPolarHBondContact CA-SG 3.44Å; C1362-C1403 HydrophobicContact CB-CB 3.88Å; C1362-C1403 WeakPolarHBondContact CB-SG 3.22Å; C1362-C1403 WeakPolarHBondContact SG-CB 3.45Å; C1362-C1403 CovalentContact SG-SG 2.03Å; C1362-C1403 PolarHBondContact SG-SG 2.66Å; C1362-M1405 HydrophobicContact CB-CG 3.98Å; C1362-M1405 HydrophobicContact CB-SD 3.95Å |
| 1363 | S | 75 | Confident | 72.3 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -65.4 | 4.5 | 179.8 | 71.7 | 0 | 0 | 0 | 0 | 115.3 | T1370 | S1363-T1370 WeakPolarHBondContact CB-O 3.29Å; S1363-T1370 PolarHBondContact N-O 2.91Å; S1363-T1370 PolarHBondContact OG-N 2.88Å; S1363-T1370 PolarHBondContact OG-O 3.44Å; S1363-T1370 PolarHBondContact OG-OG1 3.4Å |
| 1364 | V | 63.5 | Low | 72.4 | Confident | 46 Ų | 46 | 80.2 Ų | 80.2 | 28% | 0.279 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -143.8 | 148.3 | 175.2 | -60 | 0 | 0 | 0 | 0 | 107.7 | C1362 C1366 M1405 | C1362-V1364 PolarHBondContact O-N 2.72Å; V1364-C1366 WeakPolarHBondContact CB-O 3.07Å; V1364-C1366 WeakPolarHBondContact CG2-O 3.46Å; V1364-M1405 HydrophobicContact CG2-CG 4.37Å; V1364-M1405 WeakPolarHBondContact O-CG 3.12Å |
| 1365 | T | 66 | Low | 72.3 | Confident | 130 Ų | 130 | 79.6 Ų | 79.6 | 80% | 0.798 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -82.2 | -20.3 | 171.9 | 48.2 | 0 | 0 | 0 | 0 | 112.6 | M1405 | T1365-M1405 WeakPolarHBondContact O-CB 3.38Š|
| 1366 | C | 73.5 | Confident | 72.6 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -138.8 | 155.6 | 177.9 | 72.9 | 0 | 0 | 0 | 0 | 111.9 | V1364 L1406 C1408 | V1364-C1366 WeakPolarHBondContact CB-O 3.07Å; V1364-C1366 WeakPolarHBondContact CG2-O 3.46Å; C1366-L1406 CarbonylContact C-O 3.5Å; C1366-L1406 WeakPolarHBondContact CA-O 3.38Å; C1366-L1406 WeakPolarHBondContact CB-O 3.44Å; C1366-C1408 HydrophobicContact CB-CB 3.86Å; C1366-C1408 WeakPolarHBondContact CB-SG 3.38Å; C1366-C1408 PolarHBondContact O-SG 2.87Å; C1366-C1408 WeakPolarHBondContact SG-CA 3.38Å; C1366-C1408 WeakPolarHBondContact SG-CB 3.27Å; C1366-C1408 CovalentContact SG-SG 2.05Å; C1366-C1408 PolarHBondContact SG-SG 3.5Å |
| 1367 | G | 58.5 | Low | 73.1 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 72 | -152.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1404 M1405 L1406 C1408 | G1367-R1404 CarbonylContact O-C 3.58Å; G1367-R1404 VanDerWaalsContact O-CA 3.29Å; G1367-R1404 WeakPolarHBondContact O-CA 3.39Å; G1367-M1405 PolarHBondContact O-N 2.94Å; G1367-L1406 PolarHBondContact N-O 2.89Å; G1367-C1408 PolarHBondContact N-SG 3.28Å; G1367-C1408 VanDerWaalsContact N-SG 3.44Å |
| 1368 | R | 74.7 | Confident | 73.2 | Confident | 199 Ų | 199 | 72.9 Ų | 72.9 | 75% | 0.751 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.5 | -177.9 | -79.6 | -168.7 | -79.1 | -158.1 | -1.8 | 110.5 | R1404 | R1368-R1404 HydrophobicContact CG-CG 3.98Å |
| 1369 | G | 75.2 | Confident | 73 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | -159.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1402 C1403 | G1369-R1402 CarbonylContact O-C 3.52Å; G1369-R1402 WeakPolarHBondContact O-CA 3.41Å; G1369-C1403 VanDerWaalsContact C-SG 3.51Å; G1369-C1403 PolarHBondContact N-O 3.28Å; G1369-C1403 PolarHBondContact O-N 3.18Å |
| 1370 | T | 77.4 | Confident | 72.6 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.7 | 179 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | S1363 L1400 H1401 R1402 C1403 | S1363-T1370 WeakPolarHBondContact CB-O 3.29Å; S1363-T1370 PolarHBondContact N-O 2.91Å; S1363-T1370 PolarHBondContact OG-N 2.88Å; S1363-T1370 PolarHBondContact OG-O 3.44Å; S1363-T1370 PolarHBondContact OG-OG1 3.4Å; T1370-L1400 HydrophobicContact CG2-CD2 4.26Å; T1370-H1401 CarbonylContact C-O 3.54Å; T1370-H1401 WeakPolarHBondContact CA-O 3.24Å; T1370-R1402 HydrophobicContact CG2-CG 4.32Å; T1370-C1403 VanDerWaalsContact CA-SG 3.52Å; T1370-C1403 PolarHBondContact N-SG 3.44Å; T1370-C1403 VanDerWaalsContact N-SG 3.42Å |
| 1371 | R | 75.3 | Confident | 72.3 | Confident | 86 Ų | 86 | 69.4 Ų | 69.4 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.8 | 162.5 | 53.9 | -174.8 | -179.3 | -175.2 | -8 | 108.1 | W1359 S1360 H1401 C1403 | W1359-R1371 HydrophobicContact CB-CB 4.39Å; W1359-R1371 HydrophobicContact CB-CG 4.28Å; W1359-R1371 HydrophobicContact CD2-CG 4Å; W1359-R1371 HydrophobicContact CE3-CB 4.2Å; W1359-R1371 HydrophobicContact CE3-CG 3.75Å; W1359-R1371 HydrophobicContact CG-CG 4.26Å; W1359-R1371 HydrophobicContact CZ3-CG 4.43Å; W1359-R1371 VanDerWaalsContact CZ3-O 3.26Å; W1359-R1371 WeakPolarHBondContact CZ3-O 3.45Å; S1360-R1371 WeakPolarHBondContact O-CB 3.2Å; S1360-R1371 WeakPolarHBondContact OG-CA 3.39Å; R1371-H1401 HydrophobicContact CG-CB 4.19Å; R1371-H1401 PolarHBondContact N-O 3.19Å; R1371-H1401 PolarHBondContact NE-CD2 3.3Å; R1371-H1401 PolarHBondContact NH2-CD2 3.33Å; R1371-H1401 PolarHBondContact NH2-NE2 3.38Å; R1371-H1401 PolarHBondContact O-N 2.73Å; R1371-C1403 HydrophobicContact CG-CB 4.32Å; R1371-C1403 PolarHBondContact N-SG 2.73Å |
| 1372 | S | 70.8 | Confident | 71.8 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 157.9 | 178 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | S1360 H1399 | S1360-S1372 WeakPolarHBondContact CB-O 3.23Å; S1360-S1372 PolarHBondContact N-O 2.9Å; S1360-S1372 PolarHBondContact OG-N 3.04Å; S1360-S1372 PolarHBondContact OG-O 2.99Å; S1372-H1399 CarbonylContact C-O 3.47Å; S1372-H1399 WeakPolarHBondContact CA-O 3.17Å |
| 1373 | R | 65.4 | Low | 71 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 21% | 0.208 | 36% | 0.36 | C | S | . | . | trans | -146.2 | 149.2 | 168.8 | 66.5 | -177.4 | 172.5 | 173.3 | 0.6 | 110 | S1356 G1357 K1358 W1359 V1375 P1398 H1399 | S1356-R1373 VanDerWaalsContact CB-NH1 3.34Å; G1357-R1373 WeakPolarHBondContact O-CD 3.09Å; K1358-R1373 WeakPolarHBondContact O-CB 3.49Å; W1359-R1373 HydrophobicContact CD2-CB 4.16Å; W1359-R1373 HydrophobicContact CD2-CG 4.11Å; W1359-R1373 HydrophobicContact CE3-CB 3.76Å; W1359-R1373 HydrophobicContact CE3-CG 3.73Å; W1359-R1373 HydrophobicContact CH2-CG 3.88Å; W1359-R1373 HydrophobicContact CZ2-CG 4.27Å; W1359-R1373 VanDerWaalsContact CZ2-CZ 3.41Å; W1359-R1373 HydrophobicContact CZ3-CB 4.1Å; W1359-R1373 HydrophobicContact CZ3-CG 3.6Å; R1373-V1375 HydrophobicContact CG-CG2 3.92Å; R1373-P1398 PolarHBondContact NE-O 2.92Å; R1373-P1398 PolarHBondContact NH2-O 2.04Å; R1373-H1399 PolarHBondContact N-O 2.88Å | ||
| 1374 | R | 76.1 | Confident | 70.7 | Confident | 193 Ų | 193 | 71.2 Ų | 71.2 | 73% | 0.728 | 37% | 0.366 | S | S | * | . | trans | -69.9 | 134.3 | 168.7 | -168.5 | 176.7 | -71.6 | -171.4 | -3.9 | 108.7 | G1357 Q1376 | G1357-R1374 PolarHBondContact N-O 2.8Å; R1374-Q1376 HydrophobicContact CG-CG 4.18Å | ||
| 1375 | V | 78.4 | Confident | 71 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122.9 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 106.5 | W1354 R1355 R1373 K1396 P1397 H1399 | W1354-V1375 HydrophobicContact CB-CG1 4.35Å; W1354-V1375 HydrophobicContact CE3-CG1 3.97Å; R1355-V1375 WeakPolarHBondContact O-CA 3.24Å; R1373-V1375 HydrophobicContact CG-CG2 3.92Å; V1375-K1396 HydrophobicContact CG1-CG 4.29Å; V1375-P1397 HydrophobicContact CG1-CB 4.09Å; V1375-P1397 HydrophobicContact CG1-CG 4.1Å; V1375-P1397 HydrophobicContact CG2-CB 4.45Å; V1375-H1399 HydrophobicContact CG2-CB 4.11Å |
| 1376 | Q | 75.1 | Confident | 71 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.7 | -177.7 | -75.7 | 177.4 | -88.8 | 0 | 0 | 110.5 | R1355 R1374 | R1355-Q1376 PolarHBondContact N-O 2.79Å; R1355-Q1376 PolarHBondContact O-N 2.73Å; R1355-Q1376 VanDerWaalsContact O-N 3.07Å; R1374-Q1376 HydrophobicContact CG-CG 4.18Å |
| 1377 | C | 78.8 | Confident | 70.8 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132.1 | 166.2 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | W1354 P1385 L1386 C1391 | W1354-C1377 HydrophobicContact CE3-CB 4.09Å; W1354-C1377 HydrophobicContact CH2-CB 4.12Å; W1354-C1377 HydrophobicContact CZ3-CB 3.73Å; W1354-C1377 VanDerWaalsContact CZ3-N 3.33Å; C1377-P1385 WeakPolarHBondContact O-CA 3.23Å; C1377-L1386 HydrophobicContact CB-CB 4.31Å; C1377-L1386 PolarHBondContact O-N 3.45Å; C1377-C1391 WeakPolarHBondContact CA-SG 3.31Å; C1377-C1391 HydrophobicContact CB-CB 3.68Å; C1377-C1391 WeakPolarHBondContact CB-SG 3.07Å; C1377-C1391 WeakPolarHBondContact SG-CB 3.15Å; C1377-C1391 PolarHBondContact SG-N 3.19Å; C1377-C1391 VanDerWaalsContact SG-N 3.37Å; C1377-C1391 CovalentContact SG-SG 2.03Å; C1377-C1391 PolarHBondContact SG-SG 2.86Å |
| 1378 | V | 77.1 | Confident | 71 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 6% | 0.055 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.1 | 171.1 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | Q1353 R1355 G1383 K1384 | Q1353-V1378 HydrophobicContact CG-CG2 3.78Å; Q1353-V1378 PolarHBondContact N-O 2.96Å; Q1353-V1378 WeakPolarHBondContact O-CG2 3.42Å; Q1353-V1378 PolarHBondContact O-N 2.9Å; R1355-V1378 HydrophobicContact CB-CG2 4.1Å; R1355-V1378 HydrophobicContact CG-CG2 3.67Å; V1378-G1383 WeakPolarHBondContact CG1-O 3.29Å; V1378-K1384 VanDerWaalsContact CA-O 3.28Å; V1378-K1384 WeakPolarHBondContact CA-O 3.3Å; V1378-K1384 WeakPolarHBondContact CB-O 3.45Å |
| 1379 | K | 72.8 | Confident | 70.5 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 138.9 | 161.8 | -156.2 | 176.7 | 179.6 | -179.3 | 0 | 107.8 | S1351 D1381 G1383 K1384 L1386 | S1351-K1379 WeakPolarHBondContact O-CA 3.41Å; S1351-K1379 VanDerWaalsContact O-CG 3.3Å; S1351-K1379 WeakPolarHBondContact O-CG 3.08Å; K1379-D1381 PolarHBondContact O-N 3.07Å; K1379-G1383 PolarHBondContact O-N 2.77Å; K1379-K1384 PolarHBondContact N-O 3.34Å; K1379-L1386 HydrophobicContact CB-CD1 4.05Å |
| 1380 | V | 65.3 | Low | 70 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 35% | 0.345 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -41.9 | -174.3 | 175 | 0 | 0 | 0 | 0 | 110.8 | S1351 Q1353 | S1351-V1380 PolarHBondContact O-N 3.19Å; S1351-V1380 WeakPolarHBondContact OG-CB 3.24Å; Q1353-V1380 HydrophobicContact CB-CG2 4.03Å; Q1353-V1380 HydrophobicContact CG-CG2 3.81Å |
| 1381 | D | 68.5 | Low | 69.7 | Low | 89 Ų | 89 | 74.4 Ų | 74.4 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -50.5 | -164 | -28.1 | -58.7 | 0 | 0 | 0 | 111.4 | S1351 K1379 | S1351-D1381 PolarHBondContact OG-OD1 3.06Å; S1351-D1381 VanDerWaalsContact OG-OD1 3.06Å; S1351-D1381 PolarHBondContact OG-OD2 2.89Å; K1379-D1381 PolarHBondContact O-N 3.07Å |
| 1382 | S | 63.3 | Low | 69 | Low | 72 Ų | 72 | 74.5 Ų | 74.5 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -10.8 | -175.7 | 69.3 | 0 | 0 | 0 | 0 | 115 | K1384 | S1382-K1384 PolarHBondContact O-N 2.68Š|
| 1383 | G | 60.6 | Low | 68.3 | Low | 38 Ų | 38 | 78.5 Ų | 78.5 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | trans | 62.4 | -1.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | V1378 K1379 | V1378-G1383 WeakPolarHBondContact CG1-O 3.29Å; K1379-G1383 PolarHBondContact O-N 2.77Å | ||
| 1384 | K | 69.4 | Low | 68.1 | Low | 151 Ų | 151 | 78.9 Ų | 78.9 | 66% | 0.657 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 139.4 | 178.1 | -93.2 | -177.3 | 173.6 | 176.1 | 0 | 110.6 | V1378 K1379 S1382 L1386 | V1378-K1384 VanDerWaalsContact CA-O 3.28Å; V1378-K1384 WeakPolarHBondContact CA-O 3.3Å; V1378-K1384 WeakPolarHBondContact CB-O 3.45Å; K1379-K1384 PolarHBondContact N-O 3.34Å; S1382-K1384 PolarHBondContact O-N 2.68Å; K1384-L1386 PolarHBondContact O-N 2.81Å |
| 1385 | P | 68.6 | Low | 67.3 | Low | 87 Ų | 87 | 77.5 Ų | 77.5 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | B | Isolated β-bridge | trans | -65.9 | 127.5 | 171.3 | 29 | -33.5 | 0 | 0 | 0 | 110 | C1377 | C1377-P1385 WeakPolarHBondContact O-CA 3.23Å |
| 1386 | L | 66 | Low | 66.9 | Low | 54 Ų | 54 | 80.8 Ų | 80.8 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 161.7 | 172.7 | -70.2 | 177.6 | 0 | 0 | 0 | 110.4 | T1352 C1377 K1379 K1384 D1390 | T1352-L1386 HydrophobicContact CG2-CD1 3.88Å; C1377-L1386 HydrophobicContact CB-CB 4.31Å; C1377-L1386 PolarHBondContact O-N 3.45Å; K1379-L1386 HydrophobicContact CB-CD1 4.05Å; K1384-L1386 PolarHBondContact O-N 2.81Å; L1386-D1390 HydrophobicContact CB-CB 4.19Å; L1386-D1390 HydrophobicContact CD1-CB 4.01Å |
| 1387 | P | 69 | Low | 67 | Low | 84 Ų | 84 | 78.2 Ų | 78.2 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -48.9 | 147.7 | 162.1 | -26.3 | 35.2 | 0 | 0 | 0 | 112.3 | E1389 D1390 | P1387-E1389 PolarHBondContact O-N 3.44Å; P1387-E1389 VanDerWaalsContact O-N 3.1Å; P1387-D1390 WeakPolarHBondContact CD-OD2 3.04Å; P1387-D1390 PolarHBondContact O-N 2.88Å |
| 1388 | D | 63.2 | Low | 66.3 | Low | 89 Ų | 89 | 81.7 Ų | 81.7 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -60.2 | -22.2 | 179.8 | -106 | 9.8 | 0 | 0 | 0 | 113 | W1354 K1396 | W1354-D1388 HydrophobicContact CH2-CB 4.19Å; W1354-D1388 VanDerWaalsContact CH2-OD1 3.27Å; W1354-D1388 WeakPolarHBondContact CH2-OD1 3.06Å; W1354-D1388 WeakPolarHBondContact CZ3-OD1 3.25Å; D1388-K1396 IonicContact OD1-NZ 2.71Å; D1388-K1396 PolarHBondContact OD1-NZ 3.43Å; D1388-K1396 IonicContact OD2-NZ 3.95Å; D1388-K1396 PolarHBondContact OD2-NZ 2.77Å |
| 1389 | E | 64.5 | Low | 66 | Low | 158 Ų | 158 | 86.4 Ų | 86.4 | 74% | 0.738 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -73.5 | -29.6 | -177.8 | -59.5 | -170.1 | 150.9 | 0 | 0 | 112.8 | P1387 C1391 S1392 | P1387-E1389 PolarHBondContact O-N 3.44Å; P1387-E1389 VanDerWaalsContact O-N 3.1Å; E1389-C1391 PolarHBondContact O-N 2.94Å; E1389-S1392 WeakPolarHBondContact O-CB 3.43Å; E1389-S1392 PolarHBondContact O-N 3.44Å; E1389-S1392 PolarHBondContact O-OG 2.83Å |
| 1390 | D | 64 | Low | 66.1 | Low | 82 Ų | 82 | 85.8 Ų | 85.8 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -70.2 | -15.2 | 179.3 | -65.1 | -20.3 | 0 | 0 | 0 | 113.3 | T1352 L1386 P1387 | T1352-D1390 HydrophobicContact CG2-CB 4.38Å; T1352-D1390 WeakPolarHBondContact CG2-O 3.49Å; T1352-D1390 PolarHBondContact OG1-O 2.9Å; L1386-D1390 HydrophobicContact CB-CB 4.19Å; L1386-D1390 HydrophobicContact CD1-CB 4.01Å; P1387-D1390 WeakPolarHBondContact CD-OD2 3.04Å; P1387-D1390 PolarHBondContact O-N 2.88Å |
| 1391 | C | 70.8 | Confident | 66.5 | Low | 1 Ų | 1 | 86.6 Ų | 86.6 | 1% | 0.007 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -109.1 | 13.1 | 171.7 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | W1354 C1377 E1389 L1393 L1394 | W1354-C1391 HydrophobicContact CD2-CB 3.81Å; W1354-C1391 HydrophobicContact CE3-CB 4.34Å; W1354-C1391 HydrophobicContact CG-CB 4.35Å; W1354-C1391 HydrophobicContact CH2-CB 3.88Å; W1354-C1391 HydrophobicContact CZ2-CB 3.34Å; W1354-C1391 HydrophobicContact CZ3-CB 4.36Å; W1354-C1391 PolarHBondContact NE1-O 2.8Å; C1377-C1391 WeakPolarHBondContact CA-SG 3.31Å; C1377-C1391 HydrophobicContact CB-CB 3.68Å; C1377-C1391 WeakPolarHBondContact CB-SG 3.07Å; C1377-C1391 WeakPolarHBondContact SG-CB 3.15Å; C1377-C1391 PolarHBondContact SG-N 3.19Å; C1377-C1391 VanDerWaalsContact SG-N 3.37Å; C1377-C1391 CovalentContact SG-SG 2.03Å; C1377-C1391 PolarHBondContact SG-SG 2.86Å; E1389-C1391 PolarHBondContact O-N 2.94Å; C1391-L1393 PolarHBondContact O-N 2.02Å; C1391-L1394 PolarHBondContact O-N 2.94Å |
| 1392 | S | 60.4 | Low | 66.8 | Low | 89 Ų | 89 | 93 Ų | 93 | 62% | 0.622 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.8 | -177 | 58 | 0 | 0 | 0 | 0 | 114.5 | E1389 L1394 | E1389-S1392 WeakPolarHBondContact O-CB 3.43Å; E1389-S1392 PolarHBondContact O-N 3.44Å; E1389-S1392 PolarHBondContact O-OG 2.83Å; S1392-L1394 PolarHBondContact O-N 2.94Å |
| 1393 | L | 57.7 | Low | 67.2 | Low | 142 Ų | 142 | 90.3 Ų | 90.3 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -3.9 | 176.1 | -62.6 | 176.9 | 0 | 0 | 0 | 113.9 | C1391 | C1391-L1393 PolarHBondContact O-N 2.02Š|
| 1394 | L | 59.9 | Low | 67.2 | Low | 64 Ų | 64 | 97.6 Ų | 97.6 | 34% | 0.335 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -118.5 | 135.8 | -176 | -63.4 | 165.4 | 0 | 0 | 0 | 110.2 | T1352 W1354 C1391 S1392 K1396 | T1352-L1394 WeakPolarHBondContact O-CD1 3.31Å; W1354-L1394 PolarHBondContact NE1-O 2.85Å; C1391-L1394 PolarHBondContact O-N 2.94Å; S1392-L1394 PolarHBondContact O-N 2.94Å; L1394-K1396 PolarHBondContact O-N 2.84Å |
| 1395 | D | 60.6 | Low | 67.2 | Low | 164 Ų | 164 | 94.2 Ų | 94.2 | 88% | 0.877 | 48% | 0.477 | S | S | * | . | trans | -57.2 | 106.8 | 179.9 | -81.4 | -50.6 | 0 | 0 | 0 | 111.6 | P1397 | D1395-P1397 WeakPolarHBondContact O-CD 3.2Š| ||
| 1396 | K | 70 | Confident | 67.1 | Low | 85 Ų | 85 | 97 Ų | 97 | 37% | 0.37 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 117 | -179 | -173.5 | 165.9 | -172.9 | 155.2 | 0 | 110.4 | W1354 V1375 D1388 L1394 | W1354-K1396 HydrophobicContact CD2-CB 4.2Å; W1354-K1396 HydrophobicContact CD2-CD 4.43Å; W1354-K1396 HydrophobicContact CD2-CG 3.87Å; W1354-K1396 HydrophobicContact CE3-CD 4.17Å; W1354-K1396 HydrophobicContact CE3-CG 3.97Å; W1354-K1396 HydrophobicContact CH2-CB 4.46Å; W1354-K1396 HydrophobicContact CH2-CD 3.47Å; W1354-K1396 VanDerWaalsContact CH2-CD 3.47Å; W1354-K1396 HydrophobicContact CH2-CG 3.97Å; W1354-K1396 HydrophobicContact CZ2-CB 3.8Å; W1354-K1396 HydrophobicContact CZ2-CD 3.7Å; W1354-K1396 HydrophobicContact CZ2-CG 3.8Å; W1354-K1396 HydrophobicContact CZ3-CD 3.7Å; W1354-K1396 VanDerWaalsContact CZ3-CE 3.41Å; W1354-K1396 HydrophobicContact CZ3-CG 4.04Å; W1354-K1396 VanDerWaalsContact CZ3-NZ 3.32Å; V1375-K1396 HydrophobicContact CG1-CG 4.29Å; D1388-K1396 IonicContact OD1-NZ 2.71Å; D1388-K1396 PolarHBondContact OD1-NZ 3.43Å; D1388-K1396 IonicContact OD2-NZ 3.95Å; D1388-K1396 PolarHBondContact OD2-NZ 2.77Å; L1394-K1396 PolarHBondContact O-N 2.84Å |
| 1397 | P | 76.7 | Confident | 66.8 | Low | 28 Ų | 28 | 99 Ų | 99 | 18% | 0.182 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 143.3 | -179.3 | -26.2 | 33.4 | 0 | 0 | 0 | 111.8 | W1354 S1356 V1375 D1395 H1399 | W1354-P1397 HydrophobicContact CB-CG 3.55Å; W1354-P1397 HydrophobicContact CG-CG 4.23Å; S1356-P1397 WeakPolarHBondContact OG-CB 3.35Å; V1375-P1397 HydrophobicContact CG1-CB 4.09Å; V1375-P1397 HydrophobicContact CG1-CG 4.1Å; V1375-P1397 HydrophobicContact CG2-CB 4.45Å; D1395-P1397 WeakPolarHBondContact O-CD 3.2Å; P1397-H1399 PolarHBondContact O-N 2.91Å |
| 1398 | P | 64.3 | Low | 66.8 | Low | 73 Ų | 73 | 97 Ų | 97 | 47% | 0.474 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 127 | 177.7 | 22.2 | -32.4 | 0 | 0 | 0 | 110.2 | W1359 R1373 | W1359-P1398 WeakPolarHBondContact CH2-O 3.35Å; R1373-P1398 PolarHBondContact NE-O 2.92Å; R1373-P1398 PolarHBondContact NH2-O 2.04Å |
| 1399 | H | 71.4 | Confident | 67.4 | Low | 108 Ų | 108 | 93.9 Ų | 93.9 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -86.4 | -17.1 | 174.5 | 64.2 | -91.9 | 0 | 0 | 0 | 112.1 | S1372 R1373 V1375 P1397 | S1372-H1399 CarbonylContact C-O 3.47Å; S1372-H1399 WeakPolarHBondContact CA-O 3.17Å; R1373-H1399 PolarHBondContact N-O 2.88Å; V1375-H1399 HydrophobicContact CG2-CB 4.11Å; P1397-H1399 PolarHBondContact O-N 2.91Å |
| 1400 | L | 73.3 | Confident | 67.7 | Low | 87 Ų | 87 | 95.8 Ų | 95.8 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.9 | 173.4 | -86.9 | 165.3 | 0 | 0 | 0 | 109.3 | T1370 | T1370-L1400 HydrophobicContact CG2-CD2 4.26Å |
| 1401 | H | 73.9 | Confident | 68.6 | Low | 74 Ų | 74 | 93.3 Ų | 93.3 | 34% | 0.343 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.7 | 176.6 | 173.4 | 107.2 | 0 | 0 | 0 | 110.2 | W1359 T1370 R1371 C1403 | W1359-H1401 HydrophobicContact CE3-CB 4.23Å; W1359-H1401 HydrophobicContact CH2-CB 3.24Å; W1359-H1401 HydrophobicContact CZ2-CB 3.62Å; W1359-H1401 HydrophobicContact CZ3-CB 3.58Å; T1370-H1401 CarbonylContact C-O 3.54Å; T1370-H1401 WeakPolarHBondContact CA-O 3.24Å; R1371-H1401 HydrophobicContact CG-CB 4.19Å; R1371-H1401 PolarHBondContact N-O 3.19Å; R1371-H1401 PolarHBondContact NE-CD2 3.3Å; R1371-H1401 PolarHBondContact NH2-CD2 3.33Å; R1371-H1401 PolarHBondContact NH2-NE2 3.38Å; R1371-H1401 PolarHBondContact O-N 2.73Å; H1401-C1403 PolarHBondContact O-N 2.93Å |
| 1402 | R | 74.5 | Confident | 68.7 | Low | 224 Ų | 224 | 98.7 Ų | 98.7 | 85% | 0.845 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 99.8 | -179 | -66.3 | 175.8 | 179.7 | 167.6 | -0.4 | 110 | G1369 T1370 | G1369-R1402 CarbonylContact O-C 3.52Å; G1369-R1402 WeakPolarHBondContact O-CA 3.41Å; T1370-R1402 HydrophobicContact CG2-CG 4.32Å |
| 1403 | C | 72.9 | Confident | 69.5 | Low | 14 Ų | 14 | 97.6 Ų | 97.6 | 10% | 0.095 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 150.3 | 170.8 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | C1362 G1369 T1370 R1371 H1401 | C1362-C1403 WeakPolarHBondContact CA-SG 3.44Å; C1362-C1403 HydrophobicContact CB-CB 3.88Å; C1362-C1403 WeakPolarHBondContact CB-SG 3.22Å; C1362-C1403 WeakPolarHBondContact SG-CB 3.45Å; C1362-C1403 CovalentContact SG-SG 2.03Å; C1362-C1403 PolarHBondContact SG-SG 2.66Å; G1369-C1403 VanDerWaalsContact C-SG 3.51Å; G1369-C1403 PolarHBondContact N-O 3.28Å; G1369-C1403 PolarHBondContact O-N 3.18Å; T1370-C1403 VanDerWaalsContact CA-SG 3.52Å; T1370-C1403 PolarHBondContact N-SG 3.44Å; T1370-C1403 VanDerWaalsContact N-SG 3.42Å; R1371-C1403 HydrophobicContact CG-CB 4.32Å; R1371-C1403 PolarHBondContact N-SG 2.73Å; H1401-C1403 PolarHBondContact O-N 2.93Å |
| 1404 | R | 61.4 | Low | 70.4 | Confident | 192 Ų | 192 | 95.6 Ų | 95.6 | 73% | 0.725 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 92 | 179.1 | -159.1 | 170.7 | -168.7 | 167.6 | -2.5 | 108 | G1367 R1368 | G1367-R1404 CarbonylContact O-C 3.58Å; G1367-R1404 VanDerWaalsContact O-CA 3.29Å; G1367-R1404 WeakPolarHBondContact O-CA 3.39Å; R1368-R1404 HydrophobicContact CG-CG 3.98Å |
| 1405 | M | 69.5 | Low | 71.4 | Confident | 80 Ų | 80 | 102 Ų | 102 | 39% | 0.394 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 173.1 | 173.6 | -62.2 | -62.5 | -77.4 | 0 | 0 | 109.8 | C1362 V1364 T1365 G1367 | C1362-M1405 HydrophobicContact CB-CG 3.98Å; C1362-M1405 HydrophobicContact CB-SD 3.95Å; V1364-M1405 HydrophobicContact CG2-CG 4.37Å; V1364-M1405 WeakPolarHBondContact O-CG 3.12Å; T1365-M1405 WeakPolarHBondContact O-CB 3.38Å; G1367-M1405 PolarHBondContact O-N 2.94Å |
| 1406 | L | 64.6 | Low | 72.1 | Confident | 145 Ų | 145 | 97.5 Ų | 97.5 | 76% | 0.759 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -50.6 | 149.8 | 177 | -78.7 | 80.5 | 0 | 0 | 0 | 111.1 | C1366 G1367 C1408 | C1366-L1406 CarbonylContact C-O 3.5Å; C1366-L1406 WeakPolarHBondContact CA-O 3.38Å; C1366-L1406 WeakPolarHBondContact CB-O 3.44Å; G1367-L1406 PolarHBondContact N-O 2.89Å; L1406-C1408 PolarHBondContact O-N 2.78Å; L1406-C1408 VanDerWaalsContact O-N 3.09Å |
| 1407 | T | 60.7 | Low | 72.5 | Confident | 97 Ų | 97 | 95.9 Ų | 95.9 | 60% | 0.595 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 118.4 | -179 | 45 | 0 | 0 | 0 | 0 | 110.8 | L1436 | T1407-L1436 WeakPolarHBondContact O-CD1 3.5Š|
| 1408 | C | 68.6 | Low | 72.4 | Confident | 42 Ų | 42 | 100.1 Ų | 100.1 | 28% | 0.284 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 145.5 | 173.9 | -71.6 | 0 | 0 | 0 | 0 | 111.2 | C1366 G1367 L1406 R1410 | C1366-C1408 HydrophobicContact CB-CB 3.86Å; C1366-C1408 WeakPolarHBondContact CB-SG 3.38Å; C1366-C1408 PolarHBondContact O-SG 2.87Å; C1366-C1408 WeakPolarHBondContact SG-CA 3.38Å; C1366-C1408 WeakPolarHBondContact SG-CB 3.27Å; C1366-C1408 CovalentContact SG-SG 2.05Å; C1366-C1408 PolarHBondContact SG-SG 3.5Å; G1367-C1408 PolarHBondContact N-SG 3.28Å; G1367-C1408 VanDerWaalsContact N-SG 3.44Å; L1406-C1408 PolarHBondContact O-N 2.78Å; L1406-C1408 VanDerWaalsContact O-N 3.09Å; C1408-R1410 PolarHBondContact O-N 3.33Å |
| 1409 | P | 75.6 | Confident | 72.9 | Confident | 23 Ų | 23 | 98.3 Ų | 98.3 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 140.5 | 167.9 | 31.7 | -36.1 | 0 | 0 | 0 | 108.5 | L1435 L1436 R1442 D1446 C1447 | P1409-L1435 CarbonylContact C-O 3.55Å; P1409-L1435 VanDerWaalsContact CA-O 3.25Å; P1409-L1435 WeakPolarHBondContact CA-O 3.45Å; P1409-L1436 HydrophobicContact CB-CB 4.35Å; P1409-L1436 HydrophobicContact CB-CD1 4.01Å; P1409-L1436 HydrophobicContact CG-CD1 4.37Å; P1409-R1442 HydrophobicContact CB-CG 4.2Å; P1409-D1446 HydrophobicContact CG-CB 4.23Å; P1409-D1446 VanDerWaalsContact CG-O 3.28Å; P1409-D1446 WeakPolarHBondContact CG-O 3.36Å; P1409-C1447 VanDerWaalsContact C-SG 3.51Å |
| 1410 | R | 71.2 | Confident | 73.1 | Confident | 197 Ų | 197 | 97.6 Ų | 97.6 | 74% | 0.743 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 146.4 | -174.1 | -92.2 | -179.2 | 162.1 | 171.7 | -8.6 | 111.3 | C1408 R1412 L1435 | C1408-R1410 PolarHBondContact O-N 3.33Å; R1410-R1412 PolarHBondContact O-N 2.72Å; R1410-L1435 PolarHBondContact N-O 2.88Å; R1410-L1435 PolarHBondContact O-N 3.03Å |
| 1411 | W | 82.5 | Confident | 72.2 | Confident | 30 Ų | 30 | 94.6 Ų | 94.6 | 11% | 0.114 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 104 | 167.3 | -60.9 | 118.2 | 0 | 0 | 0 | 110.9 | V1432 C1434 D1444 C1447 D1448 L1449 T1451 K1452 P1453 | W1411-V1432 HydrophobicContact CB-CG1 4.27Å; W1411-V1432 HydrophobicContact CD2-CG1 4.38Å; W1411-V1432 HydrophobicContact CE3-CG1 3.81Å; W1411-C1434 HydrophobicContact CE3-CB 4.24Å; W1411-C1434 HydrophobicContact CH2-CB 4.44Å; W1411-C1434 HydrophobicContact CZ3-CB 3.99Å; W1411-D1444 HydrophobicContact CH2-CB 3.82Å; W1411-D1444 VanDerWaalsContact CH2-O 3.3Å; W1411-D1444 WeakPolarHBondContact CH2-O 3.45Å; W1411-D1444 HydrophobicContact CZ3-CB 4.34Å; W1411-D1444 WeakPolarHBondContact CZ3-OD1 3.46Å; W1411-C1447 HydrophobicContact CD2-CB 3.86Å; W1411-C1447 HydrophobicContact CE3-CB 4.35Å; W1411-C1447 HydrophobicContact CG-CB 4.42Å; W1411-C1447 HydrophobicContact CH2-CB 3.95Å; W1411-C1447 HydrophobicContact CZ2-CB 3.4Å; W1411-C1447 HydrophobicContact CZ3-CB 4.4Å; W1411-D1448 PolarHBondContact NE1-O 2.8Å; W1411-L1449 HydrophobicContact CH2-CD2 4.43Å; W1411-L1449 HydrophobicContact CZ2-CD2 4.2Å; W1411-T1451 PolarHBondContact NE1-OG1 2.77Å; W1411-K1452 HydrophobicContact CD2-CB 4.32Å; W1411-K1452 HydrophobicContact CD2-CG 4.07Å; W1411-K1452 HydrophobicContact CE3-CG 4.16Å; W1411-K1452 HydrophobicContact CH2-CB 4.37Å; W1411-K1452 HydrophobicContact CH2-CD 3.64Å; W1411-K1452 HydrophobicContact CH2-CG 3.88Å; W1411-K1452 HydrophobicContact CZ2-CB 3.75Å; W1411-K1452 HydrophobicContact CZ2-CD 3.88Å; W1411-K1452 HydrophobicContact CZ2-CG 3.76Å; W1411-K1452 HydrophobicContact CZ3-CD 4.04Å; W1411-K1452 HydrophobicContact CZ3-CG 4.07Å; W1411-P1453 HydrophobicContact CB-CG 3.82Å; W1411-P1453 VanDerWaalsContact CG-CD 3.41Å; W1411-P1453 HydrophobicContact CG-CG 4.35Å |
| 1412 | R | 73.5 | Confident | 71.7 | Confident | 114 Ų | 114 | 97.1 Ų | 97.1 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.6 | 169.8 | -170.4 | 177.9 | -179.7 | 173.6 | -4.2 | 109 | R1410 Y1414 V1433 L1435 R1438 | R1410-R1412 PolarHBondContact O-N 2.72Å; R1412-Y1414 HydrophobicContact CG-CE2 4.35Å; R1412-V1433 PolarHBondContact N-O 3.2Å; R1412-V1433 PolarHBondContact O-N 2.86Å; R1412-L1435 HydrophobicContact CB-CD1 3.67Å; R1412-L1435 HydrophobicContact CG-CD1 4.1Å; R1412-R1438 PolarHBondContact NH1-O 2.76Å |
| 1413 | V | 76.9 | Confident | 71.1 | Confident | 66 Ų | 66 | 89.2 Ų | 89.2 | 40% | 0.4 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.1 | 179.7 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | R1430 P1453 | V1413-R1430 VanDerWaalsContact CG1-NH1 3.33Å; V1413-P1453 HydrophobicContact CG2-CB 3.9Å; V1413-P1453 HydrophobicContact CG2-CG 3.75Å |
| 1414 | Y | 77.3 | Confident | 70.1 | Confident | 101 Ų | 101 | 89 Ų | 89 | 40% | 0.396 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 164.6 | 171.2 | -73.4 | -99.8 | 0 | 0 | 0 | 110.7 | R1412 K1431 V1433 | R1412-Y1414 HydrophobicContact CG-CE2 4.35Å; Y1414-K1431 WeakPolarHBondContact CB-O 3.26Å; Y1414-K1431 HydrophobicContact CD2-CB 4.12Å; Y1414-K1431 WeakPolarHBondContact CD2-O 3.27Å; Y1414-K1431 HydrophobicContact CG-CB 4.3Å; Y1414-K1431 PolarHBondContact N-O 3.09Å; Y1414-V1433 HydrophobicContact CE2-CG2 3.74Å |
| 1415 | K | 79.2 | Confident | 70 | Confident | 198 Ų | 198 | 87.2 Ų | 87.2 | 86% | 0.861 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 147 | 173.2 | -70.8 | -174.8 | 176.3 | -177.2 | 0 | 110.1 | ||
| 1416 | W | 76.6 | Confident | 70.2 | Confident | 70 Ų | 70 | 83.8 Ų | 83.8 | 27% | 0.265 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 148.2 | 168.8 | -66.9 | 111.3 | 0 | 0 | 0 | 110.8 | R1428 R1430 V1454 T1455 S1457 | W1416-R1428 HydrophobicContact CB-CB 4.33Å; W1416-R1428 HydrophobicContact CB-CG 4.28Å; W1416-R1428 HydrophobicContact CD2-CG 3.9Å; W1416-R1428 HydrophobicContact CE3-CB 4.23Å; W1416-R1428 HydrophobicContact CE3-CG 3.75Å; W1416-R1428 HydrophobicContact CG-CG 4.17Å; W1416-R1428 HydrophobicContact CZ3-CG 4.38Å; W1416-R1428 VanDerWaalsContact CZ3-O 3.23Å; W1416-R1428 WeakPolarHBondContact CZ3-O 3.43Å; W1416-R1430 HydrophobicContact CD2-CB 4.08Å; W1416-R1430 HydrophobicContact CD2-CG 4.12Å; W1416-R1430 HydrophobicContact CE3-CB 3.62Å; W1416-R1430 HydrophobicContact CE3-CG 3.65Å; W1416-R1430 HydrophobicContact CH2-CG 3.89Å; W1416-R1430 VanDerWaalsContact CH2-NE 3.34Å; W1416-R1430 HydrophobicContact CZ2-CG 4.37Å; W1416-R1430 VanDerWaalsContact CZ2-NE 3.34Å; W1416-R1430 HydrophobicContact CZ3-CB 4Å; W1416-R1430 HydrophobicContact CZ3-CG 3.52Å; W1416-V1454 HydrophobicContact CH2-CG2 4.46Å; W1416-T1455 WeakPolarHBondContact CZ3-O 3.06Å; W1416-S1457 VanDerWaalsContact CZ2-CB 3.46Å |
| 1417 | S | 77.7 | Confident | 70.6 | Confident | 50 Ų | 50 | 81.2 Ų | 81.2 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 166.2 | 162.2 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | R1428 S1429 | S1417-R1428 WeakPolarHBondContact OG-CA 3.47Å; S1417-S1429 WeakPolarHBondContact CB-O 3.46Å; S1417-S1429 PolarHBondContact N-O 3.04Å; S1417-S1429 PolarHBondContact OG-N 3.16Å; S1417-S1429 PolarHBondContact OG-O 2.86Å |
| 1418 | P | 74.5 | Confident | 71.3 | Confident | 118 Ų | 118 | 81 Ų | 81 | 77% | 0.766 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 158.3 | 154.2 | -24.5 | 35.3 | 0 | 0 | 0 | 111.6 | ||
| 1419 | C | 75.2 | Confident | 71.3 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 136.6 | 173.3 | -160.7 | 0 | 0 | 0 | 0 | 109.5 | A1421 G1426 C1459 | C1419-A1421 PolarHBondContact O-N 2.03Å; C1419-G1426 VanDerWaalsContact SG-CA 3.55Å; C1419-C1459 WeakPolarHBondContact CA-SG 3.48Å; C1419-C1459 HydrophobicContact CB-CB 3.98Å; C1419-C1459 WeakPolarHBondContact CB-SG 3.36Å; C1419-C1459 WeakPolarHBondContact SG-CB 3.37Å; C1419-C1459 CovalentContact SG-SG 2.04Å; C1419-C1459 PolarHBondContact SG-SG 2.84Å |
| 1420 | S | 75.5 | Confident | 70.7 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 65% | 0.65 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -72.3 | -6.1 | -179.9 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | I1427 | S1420-I1427 WeakPolarHBondContact CB-O 3.41Å; S1420-I1427 PolarHBondContact N-O 3.02Å; S1420-I1427 PolarHBondContact OG-N 2.98Å; S1420-I1427 PolarHBondContact OG-O 2.95Å; S1420-I1427 VanDerWaalsContact OG-O 3.07Å |
| 1421 | A | 53.5 | Low | 71 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 21% | 0.207 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -117 | 133.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | C1419 | C1419-A1421 PolarHBondContact O-N 2.03Š|
| 1422 | T | 63.6 | Low | 71 | Confident | 127 Ų | 127 | 80 Ų | 80 | 78% | 0.779 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -80.6 | -5.8 | 176.3 | 52 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1423 | C | 62.7 | Low | 71.4 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -153.9 | 136.4 | 170.7 | 62.1 | 0 | 0 | 0 | 0 | 108.4 | C1464 | C1423-C1464 VanDerWaalsContact C-SG 3.58Š|
| 1424 | G | 52.1 | Low | 71.6 | Confident | 11 Ų | 11 | 72.6 Ų | 72.6 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.3 | -155.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1426 V1460 D1461 C1464 | G1424-G1426 PolarHBondContact O-N 2.92Å; G1424-G1426 VanDerWaalsContact O-N 3.07Å; G1424-V1460 WeakPolarHBondContact O-CA 3.44Å; G1424-D1461 PolarHBondContact N-O 3.37Å; G1424-D1461 PolarHBondContact O-N 2.04Å; G1424-C1464 WeakPolarHBondContact CA-SG 3.42Å; G1424-C1464 PolarHBondContact N-SG 3.46Å |
| 1425 | H | 60 | Low | 71.6 | Confident | 154 Ų | 154 | 68.2 Ų | 68.2 | 71% | 0.713 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 97.8 | -171.9 | -73.3 | -71.1 | 0 | 0 | 0 | 113 | C1459 V1460 | H1425-C1459 WeakPolarHBondContact CA-O 3.25Å; H1425-V1460 WeakPolarHBondContact ND1-CG2 3.47Å |
| 1426 | G | 72.8 | Confident | 71.4 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 7% | 0.072 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -177 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1419 G1424 C1459 | C1419-G1426 VanDerWaalsContact SG-CA 3.55Å; G1424-G1426 PolarHBondContact O-N 2.92Å; G1424-G1426 VanDerWaalsContact O-N 3.07Å; G1426-C1459 PolarHBondContact N-O 3.27Å; G1426-C1459 PolarHBondContact O-N 3.19Å; G1426-C1459 VanDerWaalsContact O-O 3.13Å; G1426-C1459 PolarHBondContact O-SG 2.59Å |
| 1427 | I | 72.6 | Confident | 70.9 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 47% | 0.467 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135 | 170.4 | -57.5 | 175.5 | 0 | 0 | 0 | 107.8 | S1420 T1456 S1457 | S1420-I1427 WeakPolarHBondContact CB-O 3.41Å; S1420-I1427 PolarHBondContact N-O 3.02Å; S1420-I1427 PolarHBondContact OG-N 2.98Å; S1420-I1427 PolarHBondContact OG-O 2.95Å; S1420-I1427 VanDerWaalsContact OG-O 3.07Å; I1427-T1456 HydrophobicContact CG2-CG2 4.33Å; I1427-S1457 WeakPolarHBondContact CA-O 3.5Å |
| 1428 | R | 76.1 | Confident | 70.5 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.8 | 166.6 | 59 | -178.1 | 178.4 | -171.2 | -4.4 | 108.9 | W1416 S1417 S1457 C1459 | W1416-R1428 HydrophobicContact CB-CB 4.33Å; W1416-R1428 HydrophobicContact CB-CG 4.28Å; W1416-R1428 HydrophobicContact CD2-CG 3.9Å; W1416-R1428 HydrophobicContact CE3-CB 4.23Å; W1416-R1428 HydrophobicContact CE3-CG 3.75Å; W1416-R1428 HydrophobicContact CG-CG 4.17Å; W1416-R1428 HydrophobicContact CZ3-CG 4.38Å; W1416-R1428 VanDerWaalsContact CZ3-O 3.23Å; W1416-R1428 WeakPolarHBondContact CZ3-O 3.43Å; S1417-R1428 WeakPolarHBondContact OG-CA 3.47Å; R1428-S1457 WeakPolarHBondContact CG-O 3.41Å; R1428-S1457 PolarHBondContact N-O 3.32Å; R1428-S1457 PolarHBondContact NE-OG 3.33Å; R1428-S1457 VanDerWaalsContact NE-OG 3.12Å; R1428-S1457 PolarHBondContact NH2-OG 2.99Å; R1428-S1457 PolarHBondContact O-N 3.38Å; R1428-C1459 HydrophobicContact CB-CB 4.46Å; R1428-C1459 HydrophobicContact CG-CB 4.03Å; R1428-C1459 PolarHBondContact N-SG 3.42Å; R1428-C1459 VanDerWaalsContact N-SG 3.4Å |
| 1429 | S | 68.6 | Low | 70.1 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 43% | 0.427 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.5 | -175.4 | -64.2 | 0 | 0 | 0 | 0 | 110.1 | S1417 T1455 | S1417-S1429 WeakPolarHBondContact CB-O 3.46Å; S1417-S1429 PolarHBondContact N-O 3.04Å; S1417-S1429 PolarHBondContact OG-N 3.16Å; S1417-S1429 PolarHBondContact OG-O 2.86Å; S1429-T1455 CarbonylContact C-O 3.58Å; S1429-T1455 WeakPolarHBondContact CA-O 3.47Å |
| 1430 | R | 62.2 | Low | 70 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | trans | -140 | 144.5 | 175.5 | 68.3 | -174.8 | 174.4 | -171.9 | -6.6 | 111.2 | V1413 W1416 V1432 V1454 T1455 | V1413-R1430 VanDerWaalsContact CG1-NH1 3.33Å; W1416-R1430 HydrophobicContact CD2-CB 4.08Å; W1416-R1430 HydrophobicContact CD2-CG 4.12Å; W1416-R1430 HydrophobicContact CE3-CB 3.62Å; W1416-R1430 HydrophobicContact CE3-CG 3.65Å; W1416-R1430 HydrophobicContact CH2-CG 3.89Å; W1416-R1430 VanDerWaalsContact CH2-NE 3.34Å; W1416-R1430 HydrophobicContact CZ2-CG 4.37Å; W1416-R1430 VanDerWaalsContact CZ2-NE 3.34Å; W1416-R1430 HydrophobicContact CZ3-CB 4Å; W1416-R1430 HydrophobicContact CZ3-CG 3.52Å; R1430-V1432 HydrophobicContact CG-CG2 4.12Å; R1430-V1454 VanDerWaalsContact CZ-O 3.25Å; R1430-V1454 PolarHBondContact NE-O 2.84Å; R1430-V1454 PolarHBondContact NH2-O 2.97Å; R1430-T1455 PolarHBondContact N-O 2.95Å | ||
| 1431 | K | 78.1 | Confident | 70.1 | Confident | 148 Ų | 148 | 71.7 Ų | 71.7 | 64% | 0.643 | 38% | 0.376 | S | S | * | . | trans | -72.5 | 135.8 | 170.7 | -159 | 168.1 | -173.2 | 174.3 | 0 | 109.4 | Y1414 V1433 | Y1414-K1431 WeakPolarHBondContact CB-O 3.26Å; Y1414-K1431 HydrophobicContact CD2-CB 4.12Å; Y1414-K1431 WeakPolarHBondContact CD2-O 3.27Å; Y1414-K1431 HydrophobicContact CG-CB 4.3Å; Y1414-K1431 PolarHBondContact N-O 3.09Å; K1431-V1433 HydrophobicContact CG-CG1 4.48Å | ||
| 1432 | V | 81.9 | Confident | 71.2 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.1 | 174 | 177.4 | 0 | 0 | 0 | 0 | 105.6 | W1411 R1430 P1453 T1455 | W1411-V1432 HydrophobicContact CB-CG1 4.27Å; W1411-V1432 HydrophobicContact CD2-CG1 4.38Å; W1411-V1432 HydrophobicContact CE3-CG1 3.81Å; R1430-V1432 HydrophobicContact CG-CG2 4.12Å; V1432-P1453 HydrophobicContact CG1-CB 4.34Å; V1432-P1453 HydrophobicContact CG1-CG 4.32Å; V1432-P1453 HydrophobicContact CG2-CB 4.37Å; V1432-T1455 HydrophobicContact CB-CG2 3.99Å; V1432-T1455 HydrophobicContact CG2-CG2 3.92Å |
| 1433 | V | 81.5 | Confident | 71.8 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 15% | 0.145 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 146.9 | -179.8 | -81.2 | 0 | 0 | 0 | 0 | 110.3 | R1412 Y1414 K1431 L1435 | R1412-V1433 PolarHBondContact N-O 3.2Å; R1412-V1433 PolarHBondContact O-N 2.86Å; Y1414-V1433 HydrophobicContact CE2-CG2 3.74Å; K1431-V1433 HydrophobicContact CG-CG1 4.48Å; V1433-L1435 HydrophobicContact CG2-CD1 4.35Å; V1433-L1435 HydrophobicContact CG2-CG 4.45Å |
| 1434 | C | 81.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 123.7 | 170.8 | -170.4 | 0 | 0 | 0 | 0 | 109.8 | W1411 R1442 C1447 | W1411-C1434 HydrophobicContact CE3-CB 4.24Å; W1411-C1434 HydrophobicContact CH2-CB 4.44Å; W1411-C1434 HydrophobicContact CZ3-CB 3.99Å; C1434-R1442 HydrophobicContact CB-CB 4.37Å; C1434-R1442 PolarHBondContact O-N 2.88Å; C1434-C1447 WeakPolarHBondContact CA-SG 3.19Å; C1434-C1447 HydrophobicContact CB-CB 3.82Å; C1434-C1447 WeakPolarHBondContact CB-SG 3.29Å; C1434-C1447 WeakPolarHBondContact SG-CB 2.99Å; C1434-C1447 PolarHBondContact SG-N 3.16Å; C1434-C1447 VanDerWaalsContact SG-N 3.39Å; C1434-C1447 CovalentContact SG-SG 2.03Å; C1434-C1447 PolarHBondContact SG-SG 3.21Å |
| 1435 | L | 78.6 | Confident | 73.1 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.9 | -177.8 | -91.1 | 169.6 | 0 | 0 | 0 | 111.3 | P1409 R1410 R1412 V1433 H1439 D1440 V1441 | P1409-L1435 CarbonylContact C-O 3.55Å; P1409-L1435 VanDerWaalsContact CA-O 3.25Å; P1409-L1435 WeakPolarHBondContact CA-O 3.45Å; R1410-L1435 PolarHBondContact N-O 2.88Å; R1410-L1435 PolarHBondContact O-N 3.03Å; R1412-L1435 HydrophobicContact CB-CD1 3.67Å; R1412-L1435 HydrophobicContact CG-CD1 4.1Å; V1433-L1435 HydrophobicContact CG2-CD1 4.35Å; V1433-L1435 HydrophobicContact CG2-CG 4.45Å; L1435-H1439 VanDerWaalsContact CD2-C 3.44Å; L1435-D1440 CarbonylContact C-O 3.52Å; L1435-D1440 WeakPolarHBondContact CA-O 3.33Å; L1435-D1440 VanDerWaalsContact CD2-O 3.31Å; L1435-D1440 WeakPolarHBondContact CD2-O 3Å; L1435-V1441 HydrophobicContact CD2-CB 4.35Å; L1435-V1441 HydrophobicContact CD2-CG2 3.61Å; L1435-V1441 HydrophobicContact CG-CG2 4.37Å |
| 1436 | L | 73.9 | Confident | 73.4 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 28% | 0.277 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 118.6 | 167 | -165.7 | 70.4 | 0 | 0 | 0 | 108.9 | T1407 P1409 R1438 D1440 R1442 | T1407-L1436 WeakPolarHBondContact O-CD1 3.5Å; P1409-L1436 HydrophobicContact CB-CB 4.35Å; P1409-L1436 HydrophobicContact CB-CD1 4.01Å; P1409-L1436 HydrophobicContact CG-CD1 4.37Å; L1436-R1438 PolarHBondContact O-N 2.81Å; L1436-D1440 HydrophobicContact CB-CB 4.18Å; L1436-D1440 WeakPolarHBondContact CD2-OD2 3.04Å; L1436-D1440 PolarHBondContact N-O 2.83Å; L1436-D1440 PolarHBondContact O-N 2.88Å; L1436-R1442 HydrophobicContact CB-CG 3.84Å |
| 1437 | G | 66.8 | Low | 73.4 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 52% | 0.515 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -133.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1438 | R | 68.3 | Low | 73.2 | Confident | 205 Ų | 205 | 72 Ų | 72 | 77% | 0.774 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -31.6 | -174 | -74.9 | -177.3 | 172.4 | 161.4 | -2.5 | 114.8 | R1412 L1436 | R1412-R1438 PolarHBondContact NH1-O 2.76Å; L1436-R1438 PolarHBondContact O-N 2.81Å |
| 1439 | H | 67.2 | Low | 72.7 | Confident | 156 Ų | 156 | 72.9 Ų | 72.9 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.8 | -17 | -165.2 | -61.5 | -78.6 | 0 | 0 | 0 | 116.2 | L1435 V1441 | L1435-H1439 VanDerWaalsContact CD2-C 3.44Å; H1439-V1441 PolarHBondContact O-N 3.43Å |
| 1440 | D | 73.4 | Confident | 72.4 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 107.5 | -176.7 | 173.2 | 34.1 | 0 | 0 | 0 | 111.3 | L1435 L1436 R1442 | L1435-D1440 CarbonylContact C-O 3.52Å; L1435-D1440 WeakPolarHBondContact CA-O 3.33Å; L1435-D1440 VanDerWaalsContact CD2-O 3.31Å; L1435-D1440 WeakPolarHBondContact CD2-O 3Å; L1436-D1440 HydrophobicContact CB-CB 4.18Å; L1436-D1440 WeakPolarHBondContact CD2-OD2 3.04Å; L1436-D1440 PolarHBondContact N-O 2.83Å; L1436-D1440 PolarHBondContact O-N 2.88Å; D1440-R1442 WeakPolarHBondContact OD2-CD 3.4Å |
| 1441 | V | 77 | Confident | 72.8 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 56% | 0.564 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.9 | -175.8 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | L1435 H1439 | L1435-V1441 HydrophobicContact CD2-CB 4.35Å; L1435-V1441 HydrophobicContact CD2-CG2 3.61Å; L1435-V1441 HydrophobicContact CG-CG2 4.37Å; H1439-V1441 PolarHBondContact O-N 3.43Å |
| 1442 | R | 75.8 | Confident | 72.9 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 153.3 | -178.8 | -61.3 | -63.3 | -63.1 | -139.6 | -4.4 | 110.7 | P1409 C1434 L1436 D1440 D1446 | P1409-R1442 HydrophobicContact CB-CG 4.2Å; C1434-R1442 HydrophobicContact CB-CB 4.37Å; C1434-R1442 PolarHBondContact O-N 2.88Å; L1436-R1442 HydrophobicContact CB-CG 3.84Å; D1440-R1442 WeakPolarHBondContact OD2-CD 3.4Å; R1442-D1446 HydrophobicContact CB-CB 4.02Å; R1442-D1446 IonicContact CZ-OD2 3.74Å; R1442-D1446 IonicContact NE-OD2 3.98Å; R1442-D1446 PolarHBondContact NE-OD2 3.4Å; R1442-D1446 IonicContact NH2-OD1 2.8Å; R1442-D1446 IonicContact NH2-OD2 3.02Å; R1442-D1446 PolarHBondContact NH2-OD2 2.9Å |
| 1443 | P | 76.6 | Confident | 72.8 | Confident | 92 Ų | 92 | 76 Ų | 76 | 60% | 0.597 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 145.3 | 168.1 | -24.9 | 34.7 | 0 | 0 | 0 | 111.5 | G1445 D1446 | P1443-G1445 PolarHBondContact O-N 2.83Å; P1443-D1446 WeakPolarHBondContact O-CB 3.43Å; P1443-D1446 PolarHBondContact O-N 2.84Å |
| 1444 | D | 70.4 | Confident | 72.6 | Confident | 59 Ų | 59 | 79.4 Ų | 79.4 | 32% | 0.316 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -57.3 | -25.1 | -174.9 | -95.4 | 21 | 0 | 0 | 0 | 114.3 | W1411 D1446 C1447 K1452 | W1411-D1444 HydrophobicContact CH2-CB 3.82Å; W1411-D1444 VanDerWaalsContact CH2-O 3.3Å; W1411-D1444 WeakPolarHBondContact CH2-O 3.45Å; W1411-D1444 HydrophobicContact CZ3-CB 4.34Å; W1411-D1444 WeakPolarHBondContact CZ3-OD1 3.46Å; D1444-D1446 VanDerWaalsContact C-N 3.35Å; D1444-C1447 PolarHBondContact O-N 3.26Å; D1444-K1452 WeakPolarHBondContact OD2-CE 3.38Å; D1444-K1452 IonicContact OD2-NZ 2.99Å; D1444-K1452 PolarHBondContact OD2-NZ 3.27Å |
| 1445 | G | 71 | Confident | 72.5 | Confident | 63 Ų | 63 | 82.4 Ų | 82.4 | 65% | 0.649 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -74.7 | -14.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1443 C1447 | P1443-G1445 PolarHBondContact O-N 2.83Å; G1445-C1447 PolarHBondContact O-N 3.2Å |
| 1446 | D | 67.5 | Low | 72.2 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -75.2 | -15.7 | 172.6 | -78.6 | -24.1 | 0 | 0 | 0 | 112.2 | P1409 R1442 P1443 D1444 | P1409-D1446 HydrophobicContact CG-CB 4.23Å; P1409-D1446 VanDerWaalsContact CG-O 3.28Å; P1409-D1446 WeakPolarHBondContact CG-O 3.36Å; R1442-D1446 HydrophobicContact CB-CB 4.02Å; R1442-D1446 IonicContact CZ-OD2 3.74Å; R1442-D1446 IonicContact NE-OD2 3.98Å; R1442-D1446 PolarHBondContact NE-OD2 3.4Å; R1442-D1446 IonicContact NH2-OD1 2.8Å; R1442-D1446 IonicContact NH2-OD2 3.02Å; R1442-D1446 PolarHBondContact NH2-OD2 2.9Å; P1443-D1446 WeakPolarHBondContact O-CB 3.43Å; P1443-D1446 PolarHBondContact O-N 2.84Å; D1444-D1446 VanDerWaalsContact C-N 3.35Å |
| 1447 | C | 73 | Confident | 72 | Confident | 6 Ų | 6 | 84.6 Ų | 84.6 | 4% | 0.041 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -104.2 | 144 | 173.1 | -74.6 | 0 | 0 | 0 | 0 | 110.4 | P1409 W1411 C1434 D1444 G1445 L1449 | P1409-C1447 VanDerWaalsContact C-SG 3.51Å; W1411-C1447 HydrophobicContact CD2-CB 3.86Å; W1411-C1447 HydrophobicContact CE3-CB 4.35Å; W1411-C1447 HydrophobicContact CG-CB 4.42Å; W1411-C1447 HydrophobicContact CH2-CB 3.95Å; W1411-C1447 HydrophobicContact CZ2-CB 3.4Å; W1411-C1447 HydrophobicContact CZ3-CB 4.4Å; C1434-C1447 WeakPolarHBondContact CA-SG 3.19Å; C1434-C1447 HydrophobicContact CB-CB 3.82Å; C1434-C1447 WeakPolarHBondContact CB-SG 3.29Å; C1434-C1447 WeakPolarHBondContact SG-CB 2.99Å; C1434-C1447 PolarHBondContact SG-N 3.16Å; C1434-C1447 VanDerWaalsContact SG-N 3.39Å; C1434-C1447 CovalentContact SG-SG 2.03Å; C1434-C1447 PolarHBondContact SG-SG 3.21Å; D1444-C1447 PolarHBondContact O-N 3.26Å; G1445-C1447 PolarHBondContact O-N 3.2Å; C1447-L1449 PolarHBondContact O-N 3.41Å |
| 1448 | D | 68.7 | Low | 72.1 | Confident | 94 Ų | 94 | 90.6 Ų | 90.6 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | trans | -57.7 | 109.3 | 176.8 | 176.9 | -6.3 | 0 | 0 | 0 | 111.1 | W1411 V1450 T1451 | W1411-D1448 PolarHBondContact NE1-O 2.8Å; D1448-V1450 PolarHBondContact O-N 2.88Å; D1448-V1450 VanDerWaalsContact OD1-CB 3.28Å; D1448-V1450 WeakPolarHBondContact OD1-CB 3.23Å; D1448-V1450 PolarHBondContact OD1-N 2.92Å; D1448-T1451 HydrophobicContact CB-CG2 4.31Å; D1448-T1451 PolarHBondContact O-N 2.93Å; D1448-T1451 PolarHBondContact O-OG1 2.87Å; D1448-T1451 WeakPolarHBondContact OD2-CG2 3.41Å | ||
| 1449 | L | 65.8 | Low | 72.2 | Confident | 111 Ų | 111 | 81.4 Ų | 81.4 | 58% | 0.581 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -62.4 | -28.1 | -177.9 | -63.7 | 175 | 0 | 0 | 0 | 112.9 | W1411 C1447 T1451 K1452 | W1411-L1449 HydrophobicContact CH2-CD2 4.43Å; W1411-L1449 HydrophobicContact CZ2-CD2 4.2Å; C1447-L1449 PolarHBondContact O-N 3.41Å; L1449-T1451 PolarHBondContact O-N 2.89Å; L1449-K1452 WeakPolarHBondContact O-CB 3.39Å; L1449-K1452 PolarHBondContact O-N 3.44Å |
| 1450 | V | 61.9 | Low | 71.9 | Confident | 139 Ų | 139 | 77.7 Ų | 77.7 | 84% | 0.842 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -67.8 | -29.2 | 176.6 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | D1448 | D1448-V1450 PolarHBondContact O-N 2.88Å; D1448-V1450 VanDerWaalsContact OD1-CB 3.28Å; D1448-V1450 WeakPolarHBondContact OD1-CB 3.23Å; D1448-V1450 PolarHBondContact OD1-N 2.92Å |
| 1451 | T | 69.2 | Low | 71.1 | Confident | 82 Ų | 82 | 76.5 Ų | 76.5 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -91.1 | 1.8 | 178.4 | 68.6 | 0 | 0 | 0 | 0 | 114.5 | W1411 D1448 L1449 P1453 | W1411-T1451 PolarHBondContact NE1-OG1 2.77Å; D1448-T1451 HydrophobicContact CB-CG2 4.31Å; D1448-T1451 PolarHBondContact O-N 2.93Å; D1448-T1451 PolarHBondContact O-OG1 2.87Å; D1448-T1451 WeakPolarHBondContact OD2-CG2 3.41Å; L1449-T1451 PolarHBondContact O-N 2.89Å; T1451-P1453 WeakPolarHBondContact O-CD 3.07Å |
| 1452 | K | 81.1 | Confident | 70 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 37% | 0.37 | 45% | 0.446 | S | S | . | . | trans | -61.5 | 114.4 | -173.4 | -173.3 | 173.2 | 177.8 | 176.5 | 0 | 111.8 | W1411 D1444 L1449 | W1411-K1452 HydrophobicContact CD2-CB 4.32Å; W1411-K1452 HydrophobicContact CD2-CG 4.07Å; W1411-K1452 HydrophobicContact CE3-CG 4.16Å; W1411-K1452 HydrophobicContact CH2-CB 4.37Å; W1411-K1452 HydrophobicContact CH2-CD 3.64Å; W1411-K1452 HydrophobicContact CH2-CG 3.88Å; W1411-K1452 HydrophobicContact CZ2-CB 3.75Å; W1411-K1452 HydrophobicContact CZ2-CD 3.88Å; W1411-K1452 HydrophobicContact CZ2-CG 3.76Å; W1411-K1452 HydrophobicContact CZ3-CD 4.04Å; W1411-K1452 HydrophobicContact CZ3-CG 4.07Å; D1444-K1452 WeakPolarHBondContact OD2-CE 3.38Å; D1444-K1452 IonicContact OD2-NZ 2.99Å; D1444-K1452 PolarHBondContact OD2-NZ 3.27Å; L1449-K1452 WeakPolarHBondContact O-CB 3.39Å; L1449-K1452 PolarHBondContact O-N 3.44Å | ||
| 1453 | P | 79.8 | Confident | 68.7 | Low | 32 Ų | 32 | 82.3 Ų | 82.3 | 21% | 0.208 | 47% | 0.466 | C | S | . | . | trans | -63.1 | 138.5 | -178.9 | -24.8 | 35.2 | 0 | 0 | 0 | 112.7 | W1411 V1413 V1432 T1451 T1455 | W1411-P1453 HydrophobicContact CB-CG 3.82Å; W1411-P1453 VanDerWaalsContact CG-CD 3.41Å; W1411-P1453 HydrophobicContact CG-CG 4.35Å; V1413-P1453 HydrophobicContact CG2-CB 3.9Å; V1413-P1453 HydrophobicContact CG2-CG 3.75Å; V1432-P1453 HydrophobicContact CG1-CB 4.34Å; V1432-P1453 HydrophobicContact CG1-CG 4.32Å; V1432-P1453 HydrophobicContact CG2-CB 4.37Å; T1451-P1453 WeakPolarHBondContact O-CD 3.07Å; P1453-T1455 PolarHBondContact O-N 2.89Å | ||
| 1454 | V | 76.6 | Confident | 67.5 | Low | 94 Ų | 94 | 80.9 Ų | 80.9 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | trans | -55.3 | 132.6 | 177.4 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | W1416 R1430 | W1416-V1454 HydrophobicContact CH2-CG2 4.46Å; R1430-V1454 VanDerWaalsContact CZ-O 3.25Å; R1430-V1454 PolarHBondContact NE-O 2.84Å; R1430-V1454 PolarHBondContact NH2-O 2.97Å | ||
| 1455 | T | 80.6 | Confident | 66.9 | Low | 64 Ų | 64 | 81.5 Ų | 81.5 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -87.2 | -19.3 | -178.2 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | W1416 S1429 R1430 V1432 P1453 | W1416-T1455 WeakPolarHBondContact CZ3-O 3.06Å; S1429-T1455 CarbonylContact C-O 3.58Å; S1429-T1455 WeakPolarHBondContact CA-O 3.47Å; R1430-T1455 PolarHBondContact N-O 2.95Å; V1432-T1455 HydrophobicContact CB-CG2 3.99Å; V1432-T1455 HydrophobicContact CG2-CG2 3.92Å; P1453-T1455 PolarHBondContact O-N 2.89Å |
| 1456 | T | 71.3 | Confident | 66.1 | Low | 80 Ų | 80 | 87.4 Ų | 87.4 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.8 | 175.9 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | I1427 | I1427-T1456 HydrophobicContact CG2-CG2 4.33Å |
| 1457 | S | 69.7 | Low | 66.5 | Low | 28 Ų | 28 | 87.6 Ų | 87.6 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 136 | 176.2 | 164.1 | 0 | 0 | 0 | 0 | 108 | W1416 I1427 R1428 | W1416-S1457 VanDerWaalsContact CZ2-CB 3.46Å; I1427-S1457 WeakPolarHBondContact CA-O 3.5Å; R1428-S1457 WeakPolarHBondContact CG-O 3.41Å; R1428-S1457 PolarHBondContact N-O 3.32Å; R1428-S1457 PolarHBondContact NE-OG 3.33Å; R1428-S1457 VanDerWaalsContact NE-OG 3.12Å; R1428-S1457 PolarHBondContact NH2-OG 2.99Å; R1428-S1457 PolarHBondContact O-N 3.38Å |
| 1458 | K | 70.3 | Confident | 66.7 | Low | 175 Ų | 175 | 96.1 Ų | 96.1 | 76% | 0.761 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 142.6 | 161 | -61.1 | -175.4 | -179.6 | -174.8 | 0 | 108.5 | ||
| 1459 | C | 68.8 | Low | 67.6 | Low | 13 Ų | 13 | 92.9 Ų | 92.9 | 9% | 0.088 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 157.2 | 169.2 | 45.6 | 0 | 0 | 0 | 0 | 108.3 | C1419 H1425 G1426 R1428 | C1419-C1459 WeakPolarHBondContact CA-SG 3.48Å; C1419-C1459 HydrophobicContact CB-CB 3.98Å; C1419-C1459 WeakPolarHBondContact CB-SG 3.36Å; C1419-C1459 WeakPolarHBondContact SG-CB 3.37Å; C1419-C1459 CovalentContact SG-SG 2.04Å; C1419-C1459 PolarHBondContact SG-SG 2.84Å; H1425-C1459 WeakPolarHBondContact CA-O 3.25Å; G1426-C1459 PolarHBondContact N-O 3.27Å; G1426-C1459 PolarHBondContact O-N 3.19Å; G1426-C1459 VanDerWaalsContact O-O 3.13Å; G1426-C1459 PolarHBondContact O-SG 2.59Å; R1428-C1459 HydrophobicContact CB-CB 4.46Å; R1428-C1459 HydrophobicContact CG-CB 4.03Å; R1428-C1459 PolarHBondContact N-SG 3.42Å; R1428-C1459 VanDerWaalsContact N-SG 3.4Å |
| 1460 | V | 61.8 | Low | 68.2 | Low | 77 Ų | 77 | 88.6 Ų | 88.6 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.6 | 174.4 | -167 | 0 | 0 | 0 | 0 | 106.2 | G1424 H1425 N1462 | G1424-V1460 WeakPolarHBondContact O-CA 3.44Å; H1425-V1460 WeakPolarHBondContact ND1-CG2 3.47Å; V1460-N1462 WeakPolarHBondContact CG1-OD1 3.12Å |
| 1461 | D | 57.4 | Low | 69 | Low | 55 Ų | 55 | 84.2 Ų | 84.2 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 115.5 | 168.6 | -160.4 | -34.3 | 0 | 0 | 0 | 108.2 | G1424 Q1463 | G1424-D1461 PolarHBondContact N-O 3.37Å; G1424-D1461 PolarHBondContact O-N 2.04Å; D1461-Q1463 PolarHBondContact O-N 3.41Å |
| 1462 | N | 52.3 | Low | 69.5 | Low | 142 Ų | 142 | 82.2 Ų | 82.2 | 76% | 0.759 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -79.4 | -2.1 | -165.1 | -73 | -9.6 | 0 | 0 | 0 | 113.7 | V1460 C1464 | V1460-N1462 WeakPolarHBondContact CG1-OD1 3.12Å; N1462-C1464 PolarHBondContact O-N 2.82Å |
| 1463 | Q | 49.6 | Very low | 69.1 | Low | 166 Ų | 166 | 85.3 Ų | 85.3 | 78% | 0.776 | 44% | 0.44 | S | S | * | . | trans | -82.7 | 54.5 | 174.4 | -65.8 | 179.2 | 104.7 | 0 | 0 | 111.6 | D1461 | D1461-Q1463 PolarHBondContact O-N 3.41Š| ||
| 1464 | C | 51.3 | Low | 68.8 | Low | 61 Ų | 61 | 87 Ų | 87 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | trans | -92 | 132.9 | 170.4 | -97.4 | 0 | 0 | 0 | 0 | 111 | C1423 G1424 N1462 | C1423-C1464 VanDerWaalsContact C-SG 3.58Å; G1424-C1464 WeakPolarHBondContact CA-SG 3.42Å; G1424-C1464 PolarHBondContact N-SG 3.46Å; N1462-C1464 PolarHBondContact O-N 2.82Å | ||
| 1465 | P | 57.3 | Low | 68.7 | Low | 73 Ų | 73 | 85 Ų | 85 | 47% | 0.474 | 43% | 0.432 | S | S | . | . | trans | -57.7 | 143.1 | 153 | -18.6 | 31.9 | 0 | 0 | 0 | 110.1 | Y1467 | P1465-Y1467 HydrophobicContact CB-CE2 3.98Å; P1465-Y1467 HydrophobicContact CG-CE2 4.48Å; P1465-Y1467 VanDerWaalsContact O-CD2 3.3Å; P1465-Y1467 WeakPolarHBondContact O-CD2 3.38Å; P1465-Y1467 WeakPolarHBondContact O-CE2 2.97Å; P1465-Y1467 PolarHBondContact O-N 3.32Å | ||
| 1466 | R | 53.7 | Low | 67.9 | Low | 187 Ų | 187 | 91.8 Ų | 91.8 | 71% | 0.706 | 45% | 0.451 | S | S | * | . | trans | -91.4 | 88.4 | -165.9 | -165.1 | -177 | -169.4 | 150.9 | 3.5 | 113 | E1495 | R1466-E1495 HydrophobicContact CB-CG 3.81Å; R1466-E1495 WeakPolarHBondContact CB-OE1 3.45Å; R1466-E1495 WeakPolarHBondContact CD-OE1 3.18Å | ||
| 1467 | Y | 76.8 | Confident | 67.8 | Low | 76 Ų | 76 | 90.1 Ų | 90.1 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | trans | -79.9 | 140.3 | 174.6 | -52.3 | -74 | 0 | 0 | 0 | 112.4 | P1465 I1493 D1494 V1500 R1504 | P1465-Y1467 HydrophobicContact CB-CE2 3.98Å; P1465-Y1467 HydrophobicContact CG-CE2 4.48Å; P1465-Y1467 VanDerWaalsContact O-CD2 3.3Å; P1465-Y1467 WeakPolarHBondContact O-CD2 3.38Å; P1465-Y1467 WeakPolarHBondContact O-CE2 2.97Å; P1465-Y1467 PolarHBondContact O-N 3.32Å; Y1467-I1493 CarbonylContact C-O 3.58Å; Y1467-I1493 VanDerWaalsContact CA-O 3.28Å; Y1467-I1493 WeakPolarHBondContact CA-O 3.13Å; Y1467-D1494 HydrophobicContact CD1-CB 3.75Å; Y1467-D1494 HydrophobicContact CE1-CB 3.7Å; Y1467-V1500 HydrophobicContact CD1-CG2 3.86Å; Y1467-V1500 HydrophobicContact CE1-CG2 4.31Å; Y1467-R1504 HydrophobicContact CD1-CB 4.25Å; Y1467-R1504 HydrophobicContact CD2-CB 4.23Å; Y1467-R1504 HydrophobicContact CG-CB 4.05Å | ||
| 1468 | R | 77.7 | Confident | 67.3 | Low | 185 Ų | 185 | 95.1 Ų | 95.1 | 70% | 0.698 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.7 | -175.4 | 174 | 176.5 | 174 | 176.2 | -1 | 112.1 | I1493 C1505 | R1468-I1493 HydrophobicContact CB-CG1 4.42Å; R1468-I1493 PolarHBondContact N-O 3.08Å; R1468-I1493 VanDerWaalsContact O-CG1 3.28Å; R1468-I1493 WeakPolarHBondContact O-CG1 3.36Å; R1468-I1493 PolarHBondContact O-N 3.03Å; R1468-C1505 PolarHBondContact N-SG 2.88Å; R1468-C1505 VanDerWaalsContact N-SG 3.43Å; R1468-C1505 PolarHBondContact O-SG 2.91Å; R1468-C1505 VanDerWaalsContact O-SG 3.35Å |
| 1469 | W | 87.2 | Confident | 66.8 | Low | 25 Ų | 25 | 93.8 Ų | 93.8 | 10% | 0.095 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.9 | 168.2 | -65.8 | 102.9 | 0 | 0 | 0 | 112.1 | Y1491 C1492 P1502 C1505 D1506 A1509 K1510 P1511 | W1469-Y1491 WeakPolarHBondContact CA-O 3.48Å; W1469-Y1491 VanDerWaalsContact CE3-C 3.49Å; W1469-C1492 HydrophobicContact CE3-CB 4.42Å; W1469-C1492 HydrophobicContact CZ3-CB 4.29Å; W1469-P1502 HydrophobicContact CH2-CB 3.98Å; W1469-P1502 WeakPolarHBondContact CH2-O 3.22Å; W1469-P1502 HydrophobicContact CZ3-CB 4.43Å; W1469-C1505 HydrophobicContact CD2-CB 3.93Å; W1469-C1505 VanDerWaalsContact CE2-CB 3.4Å; W1469-C1505 HydrophobicContact CG-CB 4.26Å; W1469-C1505 HydrophobicContact CH2-CB 4.33Å; W1469-C1505 HydrophobicContact CZ2-CB 3.64Å; W1469-D1506 PolarHBondContact NE1-O 3.46Å; W1469-A1509 VanDerWaalsContact CD1-C 3.44Å; W1469-K1510 HydrophobicContact CD2-CB 4.11Å; W1469-K1510 HydrophobicContact CD2-CG 3.96Å; W1469-K1510 HydrophobicContact CE3-CD 4.34Å; W1469-K1510 HydrophobicContact CE3-CG 3.97Å; W1469-K1510 HydrophobicContact CH2-CB 4.49Å; W1469-K1510 HydrophobicContact CH2-CD 3.68Å; W1469-K1510 HydrophobicContact CH2-CG 4.06Å; W1469-K1510 HydrophobicContact CZ2-CB 3.94Å; W1469-K1510 HydrophobicContact CZ2-CD 3.95Å; W1469-K1510 HydrophobicContact CZ2-CG 4.01Å; W1469-K1510 HydrophobicContact CZ3-CD 3.88Å; W1469-K1510 HydrophobicContact CZ3-CG 4.02Å; W1469-P1511 HydrophobicContact CB-CG 4.28Å |
| 1470 | A | 77.4 | Confident | 66.5 | Low | 22 Ų | 22 | 99.1 Ų | 99.1 | 18% | 0.182 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 164.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1490 Y1491 I1493 | A1470-T1490 WeakPolarHBondContact O-CA 3.11Å; A1470-Y1491 HydrophobicContact CB-CD2 4.05Å; A1470-Y1491 HydrophobicContact CB-CE2 3.55Å; A1470-Y1491 PolarHBondContact N-O 2.8Å; A1470-Y1491 PolarHBondContact O-N 2.86Å; A1470-I1493 HydrophobicContact CB-CD1 4.01Å; A1470-I1493 HydrophobicContact CB-CG1 4.18Å; A1470-I1493 HydrophobicContact CB-CG2 4.31Å |
| 1471 | T | 79.6 | Confident | 66.3 | Low | 47 Ų | 47 | 96.9 Ų | 96.9 | 29% | 0.288 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 147.5 | -176.1 | 70 | 0 | 0 | 0 | 0 | 111.2 | R1488 E1489 T1490 P1511 | T1471-R1488 PolarHBondContact OG1-NH1 2.81Å; T1471-E1489 VanDerWaalsContact CA-O 3.29Å; T1471-E1489 WeakPolarHBondContact CA-O 3.26Å; T1471-T1490 HydrophobicContact CG2-CG2 3.93Å; T1471-P1511 HydrophobicContact CG2-CB 3.76Å; T1471-P1511 HydrophobicContact CG2-CG 3.64Å |
| 1472 | S | 78.9 | Confident | 66.2 | Low | 40 Ų | 40 | 95 Ų | 95 | 28% | 0.28 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 171.2 | 166.7 | 74.4 | 0 | 0 | 0 | 0 | 111.8 | R1488 E1489 | S1472-R1488 WeakPolarHBondContact O-CD 3.12Å; S1472-R1488 WeakPolarHBondContact OG-CB 3.43Å; S1472-E1489 PolarHBondContact N-O 2.96Å; S1472-E1489 VanDerWaalsContact N-O 3.14Å; S1472-E1489 PolarHBondContact OG-N 3.17Å |
| 1473 | D | 73.8 | Confident | 66.5 | Low | 150 Ų | 150 | 94 Ų | 94 | 80% | 0.802 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 162.8 | 159.7 | -72.3 | -56 | 0 | 0 | 0 | 112.3 | R1488 | D1473-R1488 VanDerWaalsContact O-CB 3.26Å; D1473-R1488 WeakPolarHBondContact O-CB 3.44Å |
| 1474 | W | 72.7 | Confident | 67.3 | Low | 67 Ų | 67 | 87.4 Ų | 87.4 | 25% | 0.254 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 141.8 | 177.5 | -68.2 | 95.3 | 0 | 0 | 0 | 111.9 | Q1486 R1488 A1513 R1515 | W1474-Q1486 HydrophobicContact CB-CB 4.46Å; W1474-Q1486 HydrophobicContact CE3-CB 3.83Å; W1474-Q1486 WeakPolarHBondContact CZ3-O 3.42Å; W1474-R1488 HydrophobicContact CD2-CB 4.15Å; W1474-R1488 HydrophobicContact CD2-CG 3.97Å; W1474-R1488 VanDerWaalsContact CE2-CD 3.49Å; W1474-R1488 HydrophobicContact CE3-CB 4.02Å; W1474-R1488 HydrophobicContact CE3-CG 3.86Å; W1474-R1488 HydrophobicContact CH2-CG 3.98Å; W1474-R1488 HydrophobicContact CZ2-CG 4.08Å; W1474-R1488 HydrophobicContact CZ3-CB 4.44Å; W1474-R1488 HydrophobicContact CZ3-CG 3.86Å; W1474-A1513 WeakPolarHBondContact CZ3-O 3.4Å; W1474-R1515 HydrophobicContact CE3-CB 4.45Å; W1474-R1515 HydrophobicContact CH2-CB 3.79Å; W1474-R1515 HydrophobicContact CZ2-CB 4.38Å; W1474-R1515 HydrophobicContact CZ3-CB 3.84Å |
| 1475 | S | 74.6 | Confident | 68.4 | Low | 52 Ų | 52 | 90.5 Ų | 90.5 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 153.7 | 169.1 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | Q1486 V1487 | S1475-Q1486 WeakPolarHBondContact O-CG 3.44Å; S1475-Q1486 PolarHBondContact O-NE2 3.23Å; S1475-Q1486 WeakPolarHBondContact OG-CA 3.26Å; S1475-V1487 PolarHBondContact N-O 3.15Å; S1475-V1487 PolarHBondContact OG-N 2.96Å |
| 1476 | R | 64.8 | Low | 69.4 | Low | 206 Ų | 206 | 88.3 Ų | 88.3 | 78% | 0.777 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 166.5 | 176.2 | -60.1 | -178.8 | -175.6 | 176 | 2.1 | 111.7 | D1478 | R1476-D1478 WeakPolarHBondContact CB-OD1 3.31Š|
| 1477 | C | 67.6 | Low | 70.3 | Confident | 45 Ų | 45 | 83 Ų | 83 | 30% | 0.304 | 41% | 0.406 | S | S | . | . | trans | -111.3 | 87.8 | 174.5 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | Q1486 C1517 | C1477-Q1486 WeakPolarHBondContact SG-CG 3.36Å; C1477-C1517 HydrophobicContact CB-CB 4.25Å; C1477-C1517 WeakPolarHBondContact CB-SG 3.42Å; C1477-C1517 WeakPolarHBondContact SG-CB 3.12Å; C1477-C1517 CovalentContact SG-SG 2.05Å; C1477-C1517 PolarHBondContact SG-SG 3.23Å | ||
| 1478 | D | 60.1 | Low | 70.1 | Confident | 133 Ų | 133 | 81.9 Ų | 81.9 | 71% | 0.711 | 40% | 0.401 | S | S | * | . | trans | -94.4 | -5.2 | -162.4 | -58.3 | -42.1 | 0 | 0 | 0 | 114.9 | R1476 | R1476-D1478 WeakPolarHBondContact CB-OD1 3.31Š| ||
| 1479 | K | 59.4 | Low | 70.1 | Confident | 148 Ų | 148 | 78 Ų | 78 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | trans | -78.2 | 136.4 | 167.9 | -57.1 | -173.8 | 176.7 | -176.6 | 0 | 111.4 | C1481 Q1484 | K1479-C1481 VanDerWaalsContact C-N 3.27Å; K1479-C1481 PolarHBondContact O-N 2.86Å; K1479-Q1484 VanDerWaalsContact CB-CD 3.48Å; K1479-Q1484 HydrophobicContact CB-CG 4.24Å; K1479-Q1484 HydrophobicContact CD-CG 4.29Å; K1479-Q1484 HydrophobicContact CG-CG 4.37Å; K1479-Q1484 PolarHBondContact O-NE2 2.98Å | ||
| 1480 | H | 62.3 | Low | 69.7 | Low | 124 Ų | 124 | 78.1 Ų | 78.1 | 57% | 0.574 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -65.6 | -20.2 | -179 | -157.8 | 70.4 | 0 | 0 | 0 | 114.9 | S1519 L1521 | H1480-S1519 WeakPolarHBondContact O-CB 3.48Å; H1480-S1519 PolarHBondContact O-OG 3.38Å; H1480-L1521 PolarHBondContact CD2-O 3.5Å |
| 1481 | C | 58.7 | Low | 70.3 | Confident | 30 Ų | 30 | 79.8 Ų | 79.8 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -148 | 141.8 | -169.6 | 152.5 | 0 | 0 | 0 | 0 | 111.3 | K1479 C1522 | K1479-C1481 VanDerWaalsContact C-N 3.27Å; K1479-C1481 PolarHBondContact O-N 2.86Å; C1481-C1522 PolarHBondContact SG-SG 3.47Å |
| 1482 | G | 54.2 | Low | 70.6 | Confident | 17 Ų | 17 | 77.6 Ų | 77.6 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.8 | -177.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1518 S1519 | G1482-L1518 WeakPolarHBondContact O-CA 3.05Å; G1482-S1519 PolarHBondContact N-O 2.83Å; G1482-S1519 VanDerWaalsContact N-O 3.13Å; G1482-S1519 PolarHBondContact O-N 3.42Å |
| 1483 | E | 59.5 | Low | 70.8 | Confident | 119 Ų | 119 | 76.7 Ų | 76.7 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 139.1 | 176.9 | -81 | -158.2 | -168.7 | 0 | 0 | 112.8 | K1516 L1518 | E1483-K1516 IonicContact OE1-NZ 2.67Å; E1483-K1516 PolarHBondContact OE1-NZ 2.87Å; E1483-K1516 WeakPolarHBondContact OE2-CE 3.11Å; E1483-K1516 IonicContact OE2-NZ 2.91Å; E1483-K1516 PolarHBondContact OE2-NZ 2.03Å; E1483-L1518 HydrophobicContact CG-CD1 4.16Å; E1483-L1518 HydrophobicContact CG-CD2 3.88Å; E1483-L1518 HydrophobicContact CG-CG 3.85Å |
| 1484 | Q | 65.3 | Low | 71.1 | Confident | 29 Ų | 29 | 71 Ų | 71 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 173.6 | 178.9 | -76.3 | 175.1 | 91.7 | 0 | 0 | 110.9 | K1479 K1516 C1517 | K1479-Q1484 VanDerWaalsContact CB-CD 3.48Å; K1479-Q1484 HydrophobicContact CB-CG 4.24Å; K1479-Q1484 HydrophobicContact CD-CG 4.29Å; K1479-Q1484 HydrophobicContact CG-CG 4.37Å; K1479-Q1484 PolarHBondContact O-NE2 2.98Å; Q1484-K1516 CarbonylContact O-C 3.55Å; Q1484-K1516 WeakPolarHBondContact O-CA 3.34Å; Q1484-C1517 WeakPolarHBondContact CB-SG 3.03Å; Q1484-C1517 PolarHBondContact N-O 3.19Å; Q1484-C1517 PolarHBondContact O-N 2.79Å |
| 1485 | Q | 74.7 | Confident | 70.9 | Confident | 125 Ų | 125 | 74.6 Ų | 74.6 | 58% | 0.584 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.1 | 173.6 | -62.3 | -177.4 | 13.4 | 0 | 0 | 111.1 | V1514 R1515 K1516 | Q1485-V1514 HydrophobicContact CB-CG1 4.29Å; Q1485-R1515 CarbonylContact C-O 3.53Å; Q1485-R1515 VanDerWaalsContact CA-O 3.24Å; Q1485-R1515 WeakPolarHBondContact CA-O 3.05Å; Q1485-K1516 HydrophobicContact CG-CG 4.4Å |
| 1486 | Q | 77.5 | Confident | 70.9 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 13% | 0.126 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 147.1 | 169.8 | -58.8 | 179.4 | -81.7 | 0 | 0 | 109.7 | W1474 S1475 C1477 V1514 R1515 | W1474-Q1486 HydrophobicContact CB-CB 4.46Å; W1474-Q1486 HydrophobicContact CE3-CB 3.83Å; W1474-Q1486 WeakPolarHBondContact CZ3-O 3.42Å; S1475-Q1486 WeakPolarHBondContact O-CG 3.44Å; S1475-Q1486 PolarHBondContact O-NE2 3.23Å; S1475-Q1486 WeakPolarHBondContact OG-CA 3.26Å; C1477-Q1486 WeakPolarHBondContact SG-CG 3.36Å; Q1486-V1514 WeakPolarHBondContact O-CA 3.24Å; Q1486-R1515 PolarHBondContact N-O 2.79Å; Q1486-R1515 PolarHBondContact O-N 3.49Å |
| 1487 | V | 73.6 | Confident | 71.1 | Confident | 77 Ų | 77 | 76 Ų | 76 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.7 | -179.9 | -173.2 | 0 | 0 | 0 | 0 | 110 | S1475 A1513 V1514 | S1475-V1487 PolarHBondContact N-O 3.15Å; S1475-V1487 PolarHBondContact OG-N 2.96Å; V1487-A1513 CarbonylContact C-O 3.54Å; V1487-A1513 VanDerWaalsContact CA-O 3.3Å; V1487-A1513 WeakPolarHBondContact CA-O 3.48Å; V1487-V1514 HydrophobicContact CG2-CG2 4.42Å |
| 1488 | R | 72.7 | Confident | 71.5 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | trans | -147.9 | 157.8 | 170.7 | 66.5 | 171.5 | 177.6 | 169.7 | -0.8 | 112.2 | T1471 S1472 D1473 W1474 A1512 A1513 | T1471-R1488 PolarHBondContact OG1-NH1 2.81Å; S1472-R1488 WeakPolarHBondContact O-CD 3.12Å; S1472-R1488 WeakPolarHBondContact OG-CB 3.43Å; D1473-R1488 VanDerWaalsContact O-CB 3.26Å; D1473-R1488 WeakPolarHBondContact O-CB 3.44Å; W1474-R1488 HydrophobicContact CD2-CB 4.15Å; W1474-R1488 HydrophobicContact CD2-CG 3.97Å; W1474-R1488 VanDerWaalsContact CE2-CD 3.49Å; W1474-R1488 HydrophobicContact CE3-CB 4.02Å; W1474-R1488 HydrophobicContact CE3-CG 3.86Å; W1474-R1488 HydrophobicContact CH2-CG 3.98Å; W1474-R1488 HydrophobicContact CZ2-CG 4.08Å; W1474-R1488 HydrophobicContact CZ3-CB 4.44Å; W1474-R1488 HydrophobicContact CZ3-CG 3.86Å; R1488-A1512 PolarHBondContact NE-O 2.92Å; R1488-A1512 PolarHBondContact NH2-O 2.74Å; R1488-A1513 PolarHBondContact N-O 2.66Å; R1488-A1513 WeakPolarHBondContact O-CB 3.43Å | ||
| 1489 | E | 76.7 | Confident | 72.5 | Confident | 104 Ų | 104 | 80.7 Ų | 80.7 | 49% | 0.486 | 38% | 0.384 | S | S | . | . | trans | -74.2 | 154.4 | 171.2 | -66.2 | -158.9 | 133.7 | 0 | 0 | 112.7 | T1471 S1472 Y1491 R1499 | T1471-E1489 VanDerWaalsContact CA-O 3.29Å; T1471-E1489 WeakPolarHBondContact CA-O 3.26Å; S1472-E1489 PolarHBondContact N-O 2.96Å; S1472-E1489 VanDerWaalsContact N-O 3.14Å; S1472-E1489 PolarHBondContact OG-N 3.17Å; E1489-Y1491 HydrophobicContact CB-CD1 4.18Å; E1489-Y1491 HydrophobicContact CB-CE1 4.48Å; E1489-R1499 IonicContact OE1-NH1 3.91Å; E1489-R1499 IonicContact OE2-CZ 3.32Å; E1489-R1499 IonicContact OE2-NH1 2.77Å; E1489-R1499 PolarHBondContact OE2-NH1 2.77Å; E1489-R1499 IonicContact OE2-NH2 3.87Å; E1489-R1499 PolarHBondContact OE2-NH2 2.96Å | ||
| 1490 | T | 80.6 | Confident | 73.6 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 16% | 0.16 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 124.5 | 168.3 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | A1470 T1471 K1510 P1511 A1513 | A1470-T1490 WeakPolarHBondContact O-CA 3.11Å; T1471-T1490 HydrophobicContact CG2-CG2 3.93Å; T1490-K1510 WeakPolarHBondContact OG1-CE 3.39Å; T1490-P1511 HydrophobicContact CG2-CB 4.17Å; T1490-A1513 HydrophobicContact CG2-CB 4.39Å |
| 1491 | Y | 88.1 | Confident | 74.3 | Confident | 57 Ų | 57 | 76.1 Ų | 76.1 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 156.9 | -171.2 | 52.8 | -89.5 | 0 | 0 | 0 | 111.3 | W1469 A1470 E1489 I1493 R1499 | W1469-Y1491 WeakPolarHBondContact CA-O 3.48Å; W1469-Y1491 VanDerWaalsContact CE3-C 3.49Å; A1470-Y1491 HydrophobicContact CB-CD2 4.05Å; A1470-Y1491 HydrophobicContact CB-CE2 3.55Å; A1470-Y1491 PolarHBondContact N-O 2.8Å; A1470-Y1491 PolarHBondContact O-N 2.86Å; E1489-Y1491 HydrophobicContact CB-CD1 4.18Å; E1489-Y1491 HydrophobicContact CB-CE1 4.48Å; Y1491-I1493 HydrophobicContact CD2-CG2 3.81Å; Y1491-I1493 HydrophobicContact CE2-CG2 3.8Å; Y1491-R1499 HydrophobicContact CD2-CG 3.68Å; Y1491-R1499 HydrophobicContact CE2-CG 4.01Å; Y1491-R1499 HydrophobicContact CG-CG 4.4Å |
| 1492 | C | 87 | Confident | 74.9 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.007 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.7 | 179.4 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | W1469 R1499 V1500 C1505 | W1469-C1492 HydrophobicContact CE3-CB 4.42Å; W1469-C1492 HydrophobicContact CZ3-CB 4.29Å; C1492-R1499 WeakPolarHBondContact O-CA 3.49Å; C1492-V1500 HydrophobicContact CB-CG2 4.12Å; C1492-V1500 PolarHBondContact O-N 2.92Å; C1492-C1505 VanDerWaalsContact CA-SG 3.52Å; C1492-C1505 HydrophobicContact CB-CB 3.81Å; C1492-C1505 WeakPolarHBondContact CB-SG 3.37Å; C1492-C1505 WeakPolarHBondContact SG-CB 3.39Å; C1492-C1505 PolarHBondContact SG-N 2.82Å; C1492-C1505 CovalentContact SG-SG 2.03Å; C1492-C1505 PolarHBondContact SG-SG 3.28Å |
| 1493 | I | 83 | Confident | 75.5 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 11% | 0.113 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.1 | 173.8 | 57.5 | 167.3 | 0 | 0 | 0 | 111.1 | Y1467 R1468 A1470 Y1491 E1497 Q1498 | Y1467-I1493 CarbonylContact C-O 3.58Å; Y1467-I1493 VanDerWaalsContact CA-O 3.28Å; Y1467-I1493 WeakPolarHBondContact CA-O 3.13Å; R1468-I1493 HydrophobicContact CB-CG1 4.42Å; R1468-I1493 PolarHBondContact N-O 3.08Å; R1468-I1493 VanDerWaalsContact O-CG1 3.28Å; R1468-I1493 WeakPolarHBondContact O-CG1 3.36Å; R1468-I1493 PolarHBondContact O-N 3.03Å; A1470-I1493 HydrophobicContact CB-CD1 4.01Å; A1470-I1493 HydrophobicContact CB-CG1 4.18Å; A1470-I1493 HydrophobicContact CB-CG2 4.31Å; Y1491-I1493 HydrophobicContact CD2-CG2 3.81Å; Y1491-I1493 HydrophobicContact CE2-CG2 3.8Å; I1493-E1497 WeakPolarHBondContact CG2-O 3.34Å; I1493-Q1498 WeakPolarHBondContact CA-O 3.42Å |
| 1494 | D | 79.6 | Confident | 76.2 | Confident | 30 Ų | 30 | 83.3 Ų | 83.3 | 16% | 0.16 | 41% | 0.41 | C | S | . | . | trans | -93.3 | -171 | 169.2 | 73.3 | -8.4 | 0 | 0 | 0 | 111.9 | Y1467 N1496 E1497 Q1498 V1500 | Y1467-D1494 HydrophobicContact CD1-CB 3.75Å; Y1467-D1494 HydrophobicContact CE1-CB 3.7Å; D1494-N1496 PolarHBondContact O-N 2.63Å; D1494-N1496 WeakPolarHBondContact OD1-CA 3.44Å; D1494-N1496 WeakPolarHBondContact OD1-CB 3.49Å; D1494-N1496 PolarHBondContact OD1-N 3.08Å; D1494-N1496 PolarHBondContact OD2-ND2 2.82Å; D1494-N1496 VanDerWaalsContact OD2-ND2 3.14Å; D1494-E1497 PolarHBondContact O-N 2.88Å; D1494-E1497 VanDerWaalsContact O-N 3.17Å; D1494-E1497 PolarHBondContact OD1-N 3.47Å; D1494-Q1498 PolarHBondContact N-O 3.47Å; D1494-Q1498 PolarHBondContact OD1-N 2.82Å; D1494-V1500 HydrophobicContact CB-CG1 4.38Å | ||
| 1495 | E | 69.2 | Low | 76.7 | Confident | 142 Ų | 142 | 82.3 Ų | 82.3 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.2 | 177.2 | -63.7 | -162.4 | 140.4 | 0 | 0 | 113.7 | R1466 E1497 | R1466-E1495 HydrophobicContact CB-CG 3.81Å; R1466-E1495 WeakPolarHBondContact CB-OE1 3.45Å; R1466-E1495 WeakPolarHBondContact CD-OE1 3.18Å; E1495-E1497 VanDerWaalsContact C-N 3.34Å |
| 1496 | N | 73.8 | Confident | 76.5 | Confident | 131 Ų | 131 | 81 Ų | 81 | 70% | 0.701 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 12 | 170.7 | -52.7 | -62 | 0 | 0 | 0 | 112.1 | D1494 Q1498 | D1494-N1496 PolarHBondContact O-N 2.63Å; D1494-N1496 WeakPolarHBondContact OD1-CA 3.44Å; D1494-N1496 WeakPolarHBondContact OD1-CB 3.49Å; D1494-N1496 PolarHBondContact OD1-N 3.08Å; D1494-N1496 PolarHBondContact OD2-ND2 2.82Å; D1494-N1496 VanDerWaalsContact OD2-ND2 3.14Å; N1496-Q1498 PolarHBondContact O-N 3.06Å; N1496-Q1498 VanDerWaalsContact O-N 3.1Å |
| 1497 | E | 69.1 | Low | 76 | Confident | 157 Ų | 157 | 83.3 Ų | 83.3 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | trans | 58 | 12.7 | -171.6 | -52.9 | -162.6 | 144.2 | 0 | 0 | 114.9 | I1493 D1494 E1495 | I1493-E1497 WeakPolarHBondContact CG2-O 3.34Å; D1494-E1497 PolarHBondContact O-N 2.88Å; D1494-E1497 VanDerWaalsContact O-N 3.17Å; D1494-E1497 PolarHBondContact OD1-N 3.47Å; E1495-E1497 VanDerWaalsContact C-N 3.34Å | ||
| 1498 | Q | 76.7 | Confident | 75.4 | Confident | 133 Ų | 133 | 84.9 Ų | 84.9 | 62% | 0.621 | 44% | 0.441 | S | S | * | . | trans | -80.3 | 131.7 | -173.3 | -160.1 | 166.2 | 34.2 | 0 | 0 | 110.5 | I1493 D1494 N1496 V1500 | I1493-Q1498 WeakPolarHBondContact CA-O 3.42Å; D1494-Q1498 PolarHBondContact N-O 3.47Å; D1494-Q1498 PolarHBondContact OD1-N 2.82Å; N1496-Q1498 PolarHBondContact O-N 3.06Å; N1496-Q1498 VanDerWaalsContact O-N 3.1Å; Q1498-V1500 PolarHBondContact O-N 2.64Å | ||
| 1499 | R | 79.9 | Confident | 75.3 | Confident | 143 Ų | 143 | 85.3 Ų | 85.3 | 54% | 0.54 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 109.4 | -179.2 | -68.4 | -164.2 | 179.3 | -161.1 | 0.4 | 110.5 | E1489 Y1491 C1492 | E1489-R1499 IonicContact OE1-NH1 3.91Å; E1489-R1499 IonicContact OE2-CZ 3.32Å; E1489-R1499 IonicContact OE2-NH1 2.77Å; E1489-R1499 PolarHBondContact OE2-NH1 2.77Å; E1489-R1499 IonicContact OE2-NH2 3.87Å; E1489-R1499 PolarHBondContact OE2-NH2 2.96Å; Y1491-R1499 HydrophobicContact CD2-CG 3.68Å; Y1491-R1499 HydrophobicContact CE2-CG 4.01Å; Y1491-R1499 HydrophobicContact CG-CG 4.4Å; C1492-R1499 WeakPolarHBondContact O-CA 3.49Å |
| 1500 | V | 82.1 | Confident | 75.5 | Confident | 41 Ų | 41 | 85.3 Ų | 85.3 | 25% | 0.248 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 165.9 | 177.5 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | Y1467 C1492 D1494 Q1498 R1504 | Y1467-V1500 HydrophobicContact CD1-CG2 3.86Å; Y1467-V1500 HydrophobicContact CE1-CG2 4.31Å; C1492-V1500 HydrophobicContact CB-CG2 4.12Å; C1492-V1500 PolarHBondContact O-N 2.92Å; D1494-V1500 HydrophobicContact CB-CG1 4.38Å; Q1498-V1500 PolarHBondContact O-N 2.64Å; V1500-R1504 HydrophobicContact CG2-CB 4.26Å |
| 1501 | E | 77.8 | Confident | 75.5 | Confident | 136 Ų | 136 | 86 Ų | 86 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | trans | -59.2 | 135.1 | -174.5 | -169.7 | 171.2 | -150.7 | 0 | 0 | 112.3 | A1503 R1504 | E1501-A1503 PolarHBondContact O-N 3.25Å; E1501-R1504 WeakPolarHBondContact O-CB 3.49Å; E1501-R1504 PolarHBondContact O-N 2.91Å | ||
| 1502 | P | 71.2 | Confident | 75 | Confident | 73 Ų | 73 | 86.7 Ų | 86.7 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -52.7 | -23.7 | -173.9 | -32.6 | 37.9 | 0 | 0 | 0 | 116.6 | W1469 R1504 | W1469-P1502 HydrophobicContact CH2-CB 3.98Å; W1469-P1502 WeakPolarHBondContact CH2-O 3.22Å; W1469-P1502 HydrophobicContact CZ3-CB 4.43Å; P1502-R1504 VanDerWaalsContact C-N 3.26Å; P1502-R1504 PolarHBondContact O-N 3Å |
| 1503 | A | 67.4 | Low | 74.7 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 75% | 0.752 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -72.5 | -12.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1501 | E1501-A1503 PolarHBondContact O-N 3.25Š|
| 1504 | R | 73.5 | Confident | 74.2 | Confident | 153 Ų | 153 | 91 Ų | 91 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -78.1 | -21.6 | 177.3 | -62.9 | -69.2 | -179.4 | 158.4 | 1.8 | 113.3 | Y1467 V1500 E1501 P1502 | Y1467-R1504 HydrophobicContact CD1-CB 4.25Å; Y1467-R1504 HydrophobicContact CD2-CB 4.23Å; Y1467-R1504 HydrophobicContact CG-CB 4.05Å; V1500-R1504 HydrophobicContact CG2-CB 4.26Å; E1501-R1504 WeakPolarHBondContact O-CB 3.49Å; E1501-R1504 PolarHBondContact O-N 2.91Å; P1502-R1504 VanDerWaalsContact C-N 3.26Å; P1502-R1504 PolarHBondContact O-N 3Å |
| 1505 | C | 75.6 | Confident | 73.8 | Confident | 8 Ų | 8 | 95 Ų | 95 | 5% | 0.054 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -99.9 | 146.2 | 176.7 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | R1468 W1469 C1492 A1507 | R1468-C1505 PolarHBondContact N-SG 2.88Å; R1468-C1505 VanDerWaalsContact N-SG 3.43Å; R1468-C1505 PolarHBondContact O-SG 2.91Å; R1468-C1505 VanDerWaalsContact O-SG 3.35Å; W1469-C1505 HydrophobicContact CD2-CB 3.93Å; W1469-C1505 VanDerWaalsContact CE2-CB 3.4Å; W1469-C1505 HydrophobicContact CG-CB 4.26Å; W1469-C1505 HydrophobicContact CH2-CB 4.33Å; W1469-C1505 HydrophobicContact CZ2-CB 3.64Å; C1492-C1505 VanDerWaalsContact CA-SG 3.52Å; C1492-C1505 HydrophobicContact CB-CB 3.81Å; C1492-C1505 WeakPolarHBondContact CB-SG 3.37Å; C1492-C1505 WeakPolarHBondContact SG-CB 3.39Å; C1492-C1505 PolarHBondContact SG-N 2.82Å; C1492-C1505 CovalentContact SG-SG 2.03Å; C1492-C1505 PolarHBondContact SG-SG 3.28Å; C1505-A1507 PolarHBondContact O-N 2.97Å; C1505-A1507 VanDerWaalsContact O-N 3.08Å |
| 1506 | D | 71.2 | Confident | 73.8 | Confident | 96 Ų | 96 | 94 Ų | 94 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | trans | -60.6 | 112.1 | 173.5 | 170.3 | 27.1 | 0 | 0 | 0 | 111.3 | W1469 S1508 A1509 | W1469-D1506 PolarHBondContact NE1-O 3.46Å; D1506-S1508 PolarHBondContact O-N 3.42Å; D1506-S1508 VanDerWaalsContact O-N 3.11Å; D1506-S1508 VanDerWaalsContact OD1-CB 3.27Å; D1506-S1508 WeakPolarHBondContact OD1-CB 3.31Å; D1506-S1508 PolarHBondContact OD1-N 2.9Å; D1506-S1508 PolarHBondContact OD1-OG 3.32Å; D1506-S1508 WeakPolarHBondContact OD2-CB 3.2Å; D1506-S1508 PolarHBondContact OD2-OG 3.3Å; D1506-A1509 PolarHBondContact O-N 3.06Å | ||
| 1507 | A | 66.6 | Low | 73.3 | Confident | 77 Ų | 77 | 88.8 Ų | 88.8 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -56.8 | -26.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1505 A1509 K1510 | C1505-A1507 PolarHBondContact O-N 2.97Å; C1505-A1507 VanDerWaalsContact O-N 3.08Å; A1507-A1509 PolarHBondContact O-N 2.84Å; A1507-K1510 VanDerWaalsContact O-CB 3.32Å; A1507-K1510 WeakPolarHBondContact O-CB 3.26Å; A1507-K1510 PolarHBondContact O-N 2.88Å |
| 1508 | S | 61.1 | Low | 72.5 | Confident | 109 Ų | 109 | 86.4 Ų | 86.4 | 76% | 0.762 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -62.7 | -27.9 | 176 | -32 | 0 | 0 | 0 | 0 | 112.7 | D1506 | D1506-S1508 PolarHBondContact O-N 3.42Å; D1506-S1508 VanDerWaalsContact O-N 3.11Å; D1506-S1508 VanDerWaalsContact OD1-CB 3.27Å; D1506-S1508 WeakPolarHBondContact OD1-CB 3.31Å; D1506-S1508 PolarHBondContact OD1-N 2.9Å; D1506-S1508 PolarHBondContact OD1-OG 3.32Å; D1506-S1508 WeakPolarHBondContact OD2-CB 3.2Å; D1506-S1508 PolarHBondContact OD2-OG 3.3Å |
| 1509 | A | 70 | Confident | 71.6 | Confident | 61 Ų | 61 | 81.4 Ų | 81.4 | 50% | 0.504 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -93.4 | 5.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1469 D1506 A1507 P1511 | W1469-A1509 VanDerWaalsContact CD1-C 3.44Å; D1506-A1509 PolarHBondContact O-N 3.06Å; A1507-A1509 PolarHBondContact O-N 2.84Å; A1509-P1511 WeakPolarHBondContact O-CD 3.49Å |
| 1510 | K | 81.6 | Confident | 70.2 | Confident | 104 Ų | 104 | 81.9 Ų | 81.9 | 45% | 0.452 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 121.6 | -175.6 | -170.1 | 172.6 | -174.9 | 174.8 | 0 | 111.6 | W1469 T1490 A1507 | W1469-K1510 HydrophobicContact CD2-CB 4.11Å; W1469-K1510 HydrophobicContact CD2-CG 3.96Å; W1469-K1510 HydrophobicContact CE3-CD 4.34Å; W1469-K1510 HydrophobicContact CE3-CG 3.97Å; W1469-K1510 HydrophobicContact CH2-CB 4.49Å; W1469-K1510 HydrophobicContact CH2-CD 3.68Å; W1469-K1510 HydrophobicContact CH2-CG 4.06Å; W1469-K1510 HydrophobicContact CZ2-CB 3.94Å; W1469-K1510 HydrophobicContact CZ2-CD 3.95Å; W1469-K1510 HydrophobicContact CZ2-CG 4.01Å; W1469-K1510 HydrophobicContact CZ3-CD 3.88Å; W1469-K1510 HydrophobicContact CZ3-CG 4.02Å; T1490-K1510 WeakPolarHBondContact OG1-CE 3.39Å; A1507-K1510 VanDerWaalsContact O-CB 3.32Å; A1507-K1510 WeakPolarHBondContact O-CB 3.26Å; A1507-K1510 PolarHBondContact O-N 2.88Å |
| 1511 | P | 81.6 | Confident | 68.8 | Low | 42 Ų | 42 | 85.9 Ų | 85.9 | 27% | 0.273 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 158.7 | -178 | -23.9 | 36.5 | 0 | 0 | 0 | 114.1 | W1469 T1471 T1490 A1509 | W1469-P1511 HydrophobicContact CB-CG 4.28Å; T1471-P1511 HydrophobicContact CG2-CB 3.76Å; T1471-P1511 HydrophobicContact CG2-CG 3.64Å; T1490-P1511 HydrophobicContact CG2-CB 4.17Å; A1509-P1511 WeakPolarHBondContact O-CD 3.49Å |
| 1512 | A | 76.1 | Confident | 68 | Low | 70 Ų | 70 | 80 Ų | 80 | 58% | 0.579 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 137.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1488 | R1488-A1512 PolarHBondContact NE-O 2.92Å; R1488-A1512 PolarHBondContact NH2-O 2.74Å |
| 1513 | A | 81.8 | Confident | 67.7 | Low | 35 Ų | 35 | 78.7 Ų | 78.7 | 29% | 0.289 | 45% | 0.451 | S | S | . | . | trans | -101.6 | -10.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W1474 V1487 R1488 T1490 | W1474-A1513 WeakPolarHBondContact CZ3-O 3.4Å; V1487-A1513 CarbonylContact C-O 3.54Å; V1487-A1513 VanDerWaalsContact CA-O 3.3Å; V1487-A1513 WeakPolarHBondContact CA-O 3.48Å; R1488-A1513 PolarHBondContact N-O 2.66Å; R1488-A1513 WeakPolarHBondContact O-CB 3.43Å; T1490-A1513 HydrophobicContact CG2-CB 4.39Å | ||
| 1514 | V | 71.1 | Confident | 68.1 | Low | 78 Ų | 78 | 76.8 Ų | 76.8 | 47% | 0.473 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142 | -176.7 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | Q1485 Q1486 V1487 | Q1485-V1514 HydrophobicContact CB-CG1 4.29Å; Q1486-V1514 WeakPolarHBondContact O-CA 3.24Å; V1487-V1514 HydrophobicContact CG2-CG2 4.42Å |
| 1515 | R | 71.5 | Confident | 67.6 | Low | 116 Ų | 116 | 73.4 Ų | 73.4 | 44% | 0.438 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 147.5 | 177.2 | -174.1 | 178.2 | 70.8 | -164.1 | 0.1 | 111 | W1474 Q1485 Q1486 | W1474-R1515 HydrophobicContact CE3-CB 4.45Å; W1474-R1515 HydrophobicContact CH2-CB 3.79Å; W1474-R1515 HydrophobicContact CZ2-CB 4.38Å; W1474-R1515 HydrophobicContact CZ3-CB 3.84Å; Q1485-R1515 CarbonylContact C-O 3.53Å; Q1485-R1515 VanDerWaalsContact CA-O 3.24Å; Q1485-R1515 WeakPolarHBondContact CA-O 3.05Å; Q1486-R1515 PolarHBondContact N-O 2.79Å; Q1486-R1515 PolarHBondContact O-N 3.49Å |
| 1516 | K | 69 | Low | 67.4 | Low | 121 Ų | 121 | 75.4 Ų | 75.4 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 153.8 | 172 | -70.5 | -166.4 | 174.6 | -160.8 | 0 | 113.3 | E1483 Q1484 Q1485 | E1483-K1516 IonicContact OE1-NZ 2.67Å; E1483-K1516 PolarHBondContact OE1-NZ 2.87Å; E1483-K1516 WeakPolarHBondContact OE2-CE 3.11Å; E1483-K1516 IonicContact OE2-NZ 2.91Å; E1483-K1516 PolarHBondContact OE2-NZ 2.03Å; Q1484-K1516 CarbonylContact O-C 3.55Å; Q1484-K1516 WeakPolarHBondContact O-CA 3.34Å; Q1485-K1516 HydrophobicContact CG-CG 4.4Å |
| 1517 | C | 63.3 | Low | 66.8 | Low | 21 Ų | 21 | 73.5 Ų | 73.5 | 14% | 0.142 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 162.1 | 163.6 | 54 | 0 | 0 | 0 | 0 | 110.8 | C1477 Q1484 | C1477-C1517 HydrophobicContact CB-CB 4.25Å; C1477-C1517 WeakPolarHBondContact CB-SG 3.42Å; C1477-C1517 WeakPolarHBondContact SG-CB 3.12Å; C1477-C1517 CovalentContact SG-SG 2.05Å; C1477-C1517 PolarHBondContact SG-SG 3.23Å; Q1484-C1517 WeakPolarHBondContact CB-SG 3.03Å; Q1484-C1517 PolarHBondContact N-O 3.19Å; Q1484-C1517 PolarHBondContact O-N 2.79Å |
| 1518 | L | 53.6 | Low | 66.4 | Low | 107 Ų | 107 | 72.7 Ų | 72.7 | 56% | 0.56 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.9 | 173.4 | -81.4 | 105.9 | 0 | 0 | 0 | 110.4 | G1482 E1483 | G1482-L1518 WeakPolarHBondContact O-CA 3.05Å; E1483-L1518 HydrophobicContact CG-CD1 4.16Å; E1483-L1518 HydrophobicContact CG-CD2 3.88Å; E1483-L1518 HydrophobicContact CG-CG 3.85Å |
| 1519 | S | 56.7 | Low | 66.5 | Low | 28 Ų | 28 | 68.3 Ų | 68.3 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.6 | 167.7 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | H1480 G1482 | H1480-S1519 WeakPolarHBondContact O-CB 3.48Å; H1480-S1519 PolarHBondContact O-OG 3.38Å; G1482-S1519 PolarHBondContact N-O 2.83Å; G1482-S1519 VanDerWaalsContact N-O 3.13Å; G1482-S1519 PolarHBondContact O-N 3.42Å |
| 1520 | E | 50.6 | Low | 66.4 | Low | 153 Ų | 153 | 70.7 Ų | 70.7 | 72% | 0.715 | 39% | 0.386 | S | S | * | . | trans | -92.2 | -6.6 | -173.8 | -64.3 | -59.8 | 139.5 | 0 | 0 | 114.2 | C1522 | E1520-C1522 PolarHBondContact O-N 3.08Š| ||
| 1521 | L | 54 | Low | 65.1 | Low | 124 Ų | 124 | 71.9 Ų | 71.9 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | trans | -77.7 | 51.5 | -176.3 | -70.2 | 170.6 | 0 | 0 | 0 | 113 | H1480 P1523 | H1480-L1521 PolarHBondContact CD2-O 3.5Å; L1521-P1523 VanDerWaalsContact O-CD 3.29Å; L1521-P1523 WeakPolarHBondContact O-CD 3.49Å | ||
| 1522 | C | 60.4 | Low | 64.4 | Low | 14 Ų | 14 | 72.1 Ų | 72.1 | 10% | 0.095 | 39% | 0.39 | C | S | . | . | trans | -81.3 | 115.5 | -179.6 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | C1481 E1520 Y1524 K1552 L1570 | C1481-C1522 PolarHBondContact SG-SG 3.47Å; E1520-C1522 PolarHBondContact O-N 3.08Å; C1522-Y1524 PolarHBondContact O-N 2.99Å; C1522-K1552 WeakPolarHBondContact O-CD 3.31Å; C1522-K1552 WeakPolarHBondContact O-CE 3.24Å; C1522-K1552 PolarHBondContact O-NZ 2.83Å; C1522-L1570 HydrophobicContact CB-CD2 3.85Å | ||
| 1523 | P | 65.9 | Low | 63.8 | Low | 45 Ų | 45 | 75 Ų | 75 | 29% | 0.292 | 40% | 0.401 | S | S | . | . | trans | -75.6 | -3.2 | -177.7 | -16 | 31.7 | 0 | 0 | 0 | 115.4 | L1521 K1552 | L1521-P1523 VanDerWaalsContact O-CD 3.29Å; L1521-P1523 WeakPolarHBondContact O-CD 3.49Å; P1523-K1552 WeakPolarHBondContact O-CB 3.36Å; P1523-K1552 PolarHBondContact O-N 3.49Å | ||
| 1524 | Y | 74.8 | Confident | 62.8 | Low | 50 Ų | 50 | 75.8 Ų | 75.8 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 160.9 | -172.2 | -27.8 | -68 | 0 | 0 | 0 | 111 | C1522 V1550 L1551 K1552 M1566 L1570 | C1522-Y1524 PolarHBondContact O-N 2.99Å; Y1524-V1550 CarbonylContact C-O 3.48Å; Y1524-V1550 VanDerWaalsContact CA-O 3.3Å; Y1524-V1550 WeakPolarHBondContact CA-O 3.04Å; Y1524-L1551 HydrophobicContact CD1-CD2 3.72Å; Y1524-L1551 HydrophobicContact CD1-CG 4.34Å; Y1524-L1551 HydrophobicContact CE1-CD2 3.8Å; Y1524-K1552 VanDerWaalsContact O-CE 3.23Å; Y1524-K1552 WeakPolarHBondContact O-CE 3.43Å; Y1524-M1566 HydrophobicContact CD1-CB 4.4Å; Y1524-M1566 HydrophobicContact CD2-CB 3.87Å; Y1524-M1566 WeakPolarHBondContact CD2-O 3.21Å; Y1524-M1566 HydrophobicContact CE1-CB 4.48Å; Y1524-M1566 HydrophobicContact CE1-CE 3.89Å; Y1524-M1566 HydrophobicContact CE1-SD 4.12Å; Y1524-M1566 HydrophobicContact CE2-CB 3.96Å; Y1524-M1566 HydrophobicContact CE2-CE 4.29Å; Y1524-M1566 HydrophobicContact CG-CB 4.12Å; Y1524-M1566 WeakPolarHBondContact OH-CE 3.45Å; Y1524-L1570 VanDerWaalsContact O-CD1 3.31Å; Y1524-L1570 WeakPolarHBondContact O-CD1 3.41Å |
| 1525 | M | 63.4 | Low | 62.6 | Low | 83 Ų | 83 | 75.6 Ų | 75.6 | 41% | 0.409 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 159 | 171.3 | 62.9 | -177 | -70.1 | 0 | 0 | 113.9 | V1527 V1550 K1552 | M1525-V1527 HydrophobicContact CE-CG2 4.49Å; M1525-V1527 HydrophobicContact CG-CG2 4.41Å; M1525-V1550 HydrophobicContact CG-CG2 3.88Å; M1525-V1550 PolarHBondContact N-O 3.47Å; M1525-V1550 PolarHBondContact O-N 3Å; M1525-K1552 HydrophobicContact CB-CG 4.44Å; M1525-K1552 HydrophobicContact CG-CG 4.07Å; M1525-K1552 HydrophobicContact SD-CG 3.99Å |
| 1526 | W | 71.8 | Confident | 61.7 | Low | 49 Ų | 49 | 76 Ų | 76 | 19% | 0.186 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 136.4 | 170.8 | -67.9 | 109.9 | 0 | 0 | 0 | 111.5 | F1547 H1548 C1549 V1564 C1567 P1573 | W1526-F1547 HydrophobicContact CE3-CB 4.11Å; W1526-H1548 CarbonylContact C-O 3.58Å; W1526-H1548 WeakPolarHBondContact CA-O 3.5Å; W1526-C1549 HydrophobicContact CE3-CB 4.42Å; W1526-C1549 HydrophobicContact CZ3-CB 4.3Å; W1526-V1564 HydrophobicContact CH2-CG1 4.03Å; W1526-C1567 HydrophobicContact CD2-CB 4.05Å; W1526-C1567 HydrophobicContact CH2-CB 4.19Å; W1526-C1567 HydrophobicContact CZ2-CB 3.6Å; W1526-C1567 PolarHBondContact NE1-O 3.24Å; W1526-P1573 HydrophobicContact CB-CG 4.13Å; W1526-P1573 HydrophobicContact CG-CG 4.23Å |
| 1527 | V | 59 | Low | 61.5 | Low | 56 Ų | 56 | 77.5 Ų | 77.5 | 34% | 0.339 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.1 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 110.2 | M1525 F1547 H1548 V1550 | M1525-V1527 HydrophobicContact CE-CG2 4.49Å; M1525-V1527 HydrophobicContact CG-CG2 4.41Å; V1527-F1547 CarbonylContact O-C 3.55Å; V1527-F1547 VanDerWaalsContact O-CA 3.29Å; V1527-F1547 WeakPolarHBondContact O-CA 3.35Å; V1527-H1548 PolarHBondContact N-O 3.11Å; V1527-H1548 PolarHBondContact O-N 3.05Å; V1527-V1550 HydrophobicContact CG2-CB 4.49Å; V1527-V1550 HydrophobicContact CG2-CG1 4.17Å; V1527-V1550 HydrophobicContact CG2-CG2 3.52Å |
| 1528 | P | 56.3 | Low | 61.3 | Low | 61 Ų | 61 | 81.3 Ų | 81.3 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 134.7 | 176.8 | 24.7 | -31.4 | 0 | 0 | 0 | 112.5 | F1547 | P1528-F1547 HydrophobicContact CB-CD1 3.9Å; P1528-F1547 HydrophobicContact CB-CE1 3.55Å; P1528-F1547 HydrophobicContact CB-CZ 4.09Å; P1528-F1547 HydrophobicContact CG-CE1 4.16Å |
| 1529 | G | 64.4 | Low | 60.6 | Low | 16 Ų | 16 | 79.6 Ų | 79.6 | 17% | 0.165 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -178.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113 | S1546 | G1529-S1546 PolarHBondContact N-O 2.74Å |
| 1530 | P | 67.1 | Low | 59.6 | Low | 112 Ų | 112 | 87 Ų | 87 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 154 | 179.9 | 28 | -35.1 | 0 | 0 | 0 | 112.8 | R1545 | P1530-R1545 VanDerWaalsContact O-CB 3.29Å; P1530-R1545 WeakPolarHBondContact O-CB 3.29Å |
| 1531 | W | 55.3 | Low | 59.3 | Low | 129 Ų | 129 | 81.2 Ų | 81.2 | 49% | 0.489 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 145.6 | 171.9 | -68.1 | 103.5 | 0 | 0 | 0 | 111.6 | Q1543 F1544 R1545 | W1531-Q1543 HydrophobicContact CE3-CB 4.05Å; W1531-F1544 CarbonylContact C-O 3.58Å; W1531-R1545 HydrophobicContact CD2-CB 4.02Å; W1531-R1545 HydrophobicContact CD2-CG 4.01Å; W1531-R1545 HydrophobicContact CE3-CB 3.93Å; W1531-R1545 HydrophobicContact CE3-CG 3.88Å; W1531-R1545 HydrophobicContact CG-CB 4.4Å; W1531-R1545 HydrophobicContact CH2-CG 4.07Å; W1531-R1545 HydrophobicContact CZ2-CG 4.19Å; W1531-R1545 VanDerWaalsContact CZ2-CZ 3.5Å; W1531-R1545 VanDerWaalsContact CZ2-NE 3.27Å; W1531-R1545 HydrophobicContact CZ3-CB 4.43Å; W1531-R1545 HydrophobicContact CZ3-CG 3.91Å |
| 1532 | S | 67.5 | Low | 59 | Low | 46 Ų | 46 | 80.5 Ų | 80.5 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 159.6 | 166.6 | 72.2 | 0 | 0 | 0 | 0 | 111.2 | F1544 | S1532-F1544 PolarHBondContact N-O 2.05Å; S1532-F1544 PolarHBondContact OG-N 3.1Å; S1532-F1544 PolarHBondContact OG-O 3.25Å |
| 1533 | T | 62.5 | Low | 58.6 | Low | 132 Ų | 132 | 84.5 Ų | 84.5 | 81% | 0.81 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 154.3 | 161.9 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1534 | C | 60 | Low | 58 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 35% | 0.345 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 138.1 | 178.9 | -160.9 | 0 | 0 | 0 | 0 | 111.4 | K1536 Q1543 | C1534-K1536 WeakPolarHBondContact CB-O 3.3Å; C1534-K1536 PolarHBondContact O-N 3.44Å; C1534-K1536 VanDerWaalsContact O-N 3.14Å; C1534-K1536 PolarHBondContact SG-O 2.96Å; C1534-Q1543 HydrophobicContact CB-CG 4.04Å |
| 1535 | S | 67.8 | Low | 56.9 | Low | 73 Ų | 73 | 86.7 Ų | 86.7 | 51% | 0.51 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -67.7 | -9.7 | 178.4 | 76.4 | 0 | 0 | 0 | 0 | 114.2 | E1542 | S1535-E1542 PolarHBondContact N-O 2.98Å; S1535-E1542 PolarHBondContact OG-N 3.11Å |
| 1536 | K | 53 | Low | 56.7 | Low | 124 Ų | 124 | 85.4 Ų | 85.4 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | trans | -139.5 | 149.4 | 167.5 | -64.4 | -167.2 | -172.4 | 166.5 | 0 | 111.5 | C1534 C1538 E1540 | C1534-K1536 WeakPolarHBondContact CB-O 3.3Å; C1534-K1536 PolarHBondContact O-N 3.44Å; C1534-K1536 VanDerWaalsContact O-N 3.14Å; C1534-K1536 PolarHBondContact SG-O 2.96Å; K1536-C1538 WeakPolarHBondContact CB-O 3.3Å; K1536-E1540 WeakPolarHBondContact CD-O 3.33Å | ||
| 1537 | T | 64 | Low | 56.3 | Low | 154 Ų | 154 | 85.8 Ų | 85.8 | 95% | 0.945 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -84.4 | -18.6 | 174.2 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1538 | C | 58.9 | Low | 57 | Low | 101 Ų | 101 | 86.7 Ų | 86.7 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -151.2 | 155.6 | 170.1 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | K1536 | K1536-C1538 WeakPolarHBondContact CB-O 3.3Š|
| 1539 | G | 38.5 | Very low | 57.8 | Low | 70 Ų | 70 | 83.9 Ų | 83.9 | 72% | 0.722 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 71.3 | 179.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1541 | G1539-G1541 PolarHBondContact O-N 2.87Š|
| 1540 | E | 37.2 | Very low | 58.2 | Low | 185 Ų | 185 | 84.7 Ų | 84.7 | 86% | 0.864 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -63.9 | 128.4 | 180 | -64.7 | -169.1 | 153.2 | 0 | 0 | 111.9 | K1536 | K1536-E1540 WeakPolarHBondContact CD-O 3.33Š|
| 1541 | G | 43.8 | Very low | 58.1 | Low | 31 Ų | 31 | 83 Ų | 83 | 32% | 0.32 | 46% | 0.462 | S | S | . | . | trans | -145.7 | 152.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1539 | G1539-G1541 PolarHBondContact O-N 2.87Š| ||
| 1542 | E | 48.6 | Very low | 58 | Low | 109 Ų | 109 | 82.2 Ų | 82.2 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | trans | -96.4 | 148.4 | -173.7 | -60.9 | -177.2 | 129.6 | 0 | 0 | 111.4 | S1535 F1544 | S1535-E1542 PolarHBondContact N-O 2.98Å; S1535-E1542 PolarHBondContact OG-N 3.11Å; E1542-F1544 HydrophobicContact CB-CE1 4.02Å; E1542-F1544 HydrophobicContact CB-CE2 4.04Å; E1542-F1544 HydrophobicContact CB-CZ 3.47Å; E1542-F1544 VanDerWaalsContact CB-CZ 3.47Å; E1542-F1544 HydrophobicContact CG-CZ 4.37Å; E1542-F1544 WeakPolarHBondContact OE2-CZ 3.2Å | ||
| 1543 | Q | 50.2 | Low | 57.3 | Low | 97 Ų | 97 | 83.9 Ų | 83.9 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | trans | -129 | 149.1 | 170.8 | -69.4 | 178.7 | 30.5 | 0 | 0 | 109.7 | W1531 C1534 | W1531-Q1543 HydrophobicContact CE3-CB 4.05Å; C1534-Q1543 HydrophobicContact CB-CG 4.04Å | ||
| 1544 | F | 54.8 | Low | 56.3 | Low | 86 Ų | 86 | 80.1 Ų | 80.1 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | trans | -136.5 | 148.3 | -174.4 | -43.2 | -83.6 | 0 | 0 | 0 | 111.1 | W1531 S1532 E1542 | W1531-F1544 CarbonylContact C-O 3.58Å; S1532-F1544 PolarHBondContact N-O 2.05Å; S1532-F1544 PolarHBondContact OG-N 3.1Å; S1532-F1544 PolarHBondContact OG-O 3.25Å; E1542-F1544 HydrophobicContact CB-CE1 4.02Å; E1542-F1544 HydrophobicContact CB-CE2 4.04Å; E1542-F1544 HydrophobicContact CB-CZ 3.47Å; E1542-F1544 VanDerWaalsContact CB-CZ 3.47Å; E1542-F1544 HydrophobicContact CG-CZ 4.37Å; E1542-F1544 WeakPolarHBondContact OE2-CZ 3.2Å | ||
| 1545 | R | 50.9 | Low | 55.2 | Low | 55 Ų | 55 | 81 Ų | 81 | 21% | 0.208 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 157 | 173.1 | 61.5 | 176.2 | 170.9 | 179.8 | -3.5 | 112 | P1530 W1531 S1575 | P1530-R1545 VanDerWaalsContact O-CB 3.29Å; P1530-R1545 WeakPolarHBondContact O-CB 3.29Å; W1531-R1545 HydrophobicContact CD2-CB 4.02Å; W1531-R1545 HydrophobicContact CD2-CG 4.01Å; W1531-R1545 HydrophobicContact CE3-CB 3.93Å; W1531-R1545 HydrophobicContact CE3-CG 3.88Å; W1531-R1545 HydrophobicContact CG-CB 4.4Å; W1531-R1545 HydrophobicContact CH2-CG 4.07Å; W1531-R1545 HydrophobicContact CZ2-CG 4.19Å; W1531-R1545 VanDerWaalsContact CZ2-CZ 3.5Å; W1531-R1545 VanDerWaalsContact CZ2-NE 3.27Å; W1531-R1545 HydrophobicContact CZ3-CB 4.43Å; W1531-R1545 HydrophobicContact CZ3-CG 3.91Å; R1545-S1575 PolarHBondContact NH2-O 2.94Å |
| 1546 | S | 59.1 | Low | 53.8 | Low | 57 Ų | 57 | 86.4 Ų | 86.4 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 172.6 | 172.3 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | G1529 H1548 | G1529-S1546 PolarHBondContact N-O 2.74Å; S1546-H1548 PolarHBondContact OG-NE2 3.19Å; S1546-H1548 VanDerWaalsContact OG-NE2 3.16Å |
| 1547 | F | 63.5 | Low | 53.3 | Low | 56 Ų | 56 | 84.2 Ų | 84.2 | 25% | 0.246 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.2 | 168.4 | -72 | -96.1 | 0 | 0 | 0 | 109.5 | W1526 V1527 P1528 P1573 C1574 | W1526-F1547 HydrophobicContact CE3-CB 4.11Å; V1527-F1547 CarbonylContact O-C 3.55Å; V1527-F1547 VanDerWaalsContact O-CA 3.29Å; V1527-F1547 WeakPolarHBondContact O-CA 3.35Å; P1528-F1547 HydrophobicContact CB-CD1 3.9Å; P1528-F1547 HydrophobicContact CB-CE1 3.55Å; P1528-F1547 HydrophobicContact CB-CZ 4.09Å; P1528-F1547 HydrophobicContact CG-CE1 4.16Å; F1547-P1573 HydrophobicContact CB-CG 3.95Å; F1547-P1573 HydrophobicContact CD1-CB 3.83Å; F1547-P1573 HydrophobicContact CD1-CG 3.4Å; F1547-P1573 VanDerWaalsContact CD1-CG 3.4Å; F1547-P1573 HydrophobicContact CD2-CG 3.77Å; F1547-P1573 HydrophobicContact CE1-CB 3.63Å; F1547-P1573 HydrophobicContact CE1-CG 3.73Å; F1547-P1573 HydrophobicContact CE2-CB 4.38Å; F1547-P1573 HydrophobicContact CE2-CG 4.07Å; F1547-P1573 HydrophobicContact CG-CB 4.28Å; F1547-P1573 HydrophobicContact CG-CG 3.43Å; F1547-P1573 VanDerWaalsContact CG-CG 3.43Å; F1547-P1573 HydrophobicContact CZ-CB 3.94Å; F1547-P1573 HydrophobicContact CZ-CG 4.06Å; F1547-C1574 WeakPolarHBondContact CZ-O 3.39Å |
| 1548 | H | 73.3 | Confident | 52.1 | Low | 76 Ų | 76 | 85.8 Ų | 85.8 | 35% | 0.352 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 150.8 | -176.5 | -65.1 | -102 | 0 | 0 | 0 | 110.7 | W1526 V1527 S1546 E1561 | W1526-H1548 CarbonylContact C-O 3.58Å; W1526-H1548 WeakPolarHBondContact CA-O 3.5Å; V1527-H1548 PolarHBondContact N-O 3.11Å; V1527-H1548 PolarHBondContact O-N 3.05Å; S1546-H1548 PolarHBondContact OG-NE2 3.19Å; S1546-H1548 VanDerWaalsContact OG-NE2 3.16Å; H1548-E1561 IonicContact CE1-OE1 3.39Å; H1548-E1561 IonicContact CG-OE1 2.63Å; H1548-E1561 IonicContact ND1-OE1 2.71Å; H1548-E1561 PolarHBondContact ND1-OE1 2.77Å |
| 1549 | C | 74 | Confident | 50.9 | Low | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.007 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.3 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | W1526 A1562 V1564 C1567 | W1526-C1549 HydrophobicContact CE3-CB 4.42Å; W1526-C1549 HydrophobicContact CZ3-CB 4.3Å; C1549-A1562 PolarHBondContact O-N 3.41Å; C1549-V1564 HydrophobicContact CB-CG2 4.4Å; C1549-C1567 VanDerWaalsContact CA-SG 3.59Å; C1549-C1567 HydrophobicContact CB-CB 3.75Å; C1549-C1567 WeakPolarHBondContact CB-SG 3.45Å; C1549-C1567 WeakPolarHBondContact SG-CB 3.28Å; C1549-C1567 CovalentContact SG-SG 2.03Å; C1549-C1567 PolarHBondContact SG-SG 2.88Å |
| 1550 | V | 72.1 | Confident | 51.3 | Low | 34 Ų | 34 | 83.4 Ų | 83.4 | 21% | 0.206 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 157.4 | -179.1 | -50.4 | 0 | 0 | 0 | 0 | 112.1 | Y1524 M1525 V1527 | Y1524-V1550 CarbonylContact C-O 3.48Å; Y1524-V1550 VanDerWaalsContact CA-O 3.3Å; Y1524-V1550 WeakPolarHBondContact CA-O 3.04Å; M1525-V1550 HydrophobicContact CG-CG2 3.88Å; M1525-V1550 PolarHBondContact N-O 3.47Å; M1525-V1550 PolarHBondContact O-N 3Å; V1527-V1550 HydrophobicContact CG2-CB 4.49Å; V1527-V1550 HydrophobicContact CG2-CG1 4.17Å; V1527-V1550 HydrophobicContact CG2-CG2 3.52Å |
| 1551 | L | 65.3 | Low | 51.7 | Low | 77 Ų | 77 | 81.5 Ų | 81.5 | 40% | 0.403 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 134.9 | 171.6 | -79 | 146.9 | 0 | 0 | 0 | 111.7 | Y1524 A1562 | Y1524-L1551 HydrophobicContact CD1-CD2 3.72Å; Y1524-L1551 HydrophobicContact CD1-CG 4.34Å; Y1524-L1551 HydrophobicContact CE1-CD2 3.8Å; L1551-A1562 HydrophobicContact CG-CB 4.25Å |
| 1552 | K | 53.7 | Low | 52.2 | Low | 111 Ų | 111 | 80.4 Ų | 80.4 | 48% | 0.483 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 126.2 | 171.3 | -64.4 | 175.5 | -177.1 | 164.5 | 0 | 109.7 | C1522 P1523 Y1524 M1525 | C1522-K1552 WeakPolarHBondContact O-CD 3.31Å; C1522-K1552 WeakPolarHBondContact O-CE 3.24Å; C1522-K1552 PolarHBondContact O-NZ 2.83Å; P1523-K1552 WeakPolarHBondContact O-CB 3.36Å; P1523-K1552 PolarHBondContact O-N 3.49Å; Y1524-K1552 VanDerWaalsContact O-CE 3.23Å; Y1524-K1552 WeakPolarHBondContact O-CE 3.43Å; M1525-K1552 HydrophobicContact CB-CG 4.44Å; M1525-K1552 HydrophobicContact CG-CG 4.07Å; M1525-K1552 HydrophobicContact SD-CG 3.99Å |
| 1553 | G | 52.3 | Low | 53 | Low | 82 Ų | 82 | 79.7 Ų | 79.7 | 85% | 0.845 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.6 | -4.3 | 170 | 0 | 0 | 0 | 0 | 0 | 116.4 | G1555 | G1553-G1555 PolarHBondContact O-N 3.02Š|
| 1554 | G | 40.9 | Very low | 53.5 | Low | 52 Ų | 52 | 78.7 Ų | 78.7 | 54% | 0.536 | 49% | 0.487 | S | S | . | . | trans | -66.7 | 111.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1555 | G | 38.2 | Very low | 53.8 | Low | 70 Ų | 70 | 81.8 Ų | 81.8 | 72% | 0.722 | 50% | 0.503 | S | S | * | . | trans | -66.5 | 134.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1553 | G1553-G1555 PolarHBondContact O-N 3.02Š| ||
| 1556 | L | 38.1 | Very low | 54.5 | Low | 186 Ų | 186 | 83.1 Ų | 83.1 | 97% | 0.974 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 46.2 | 77 | 167.3 | -67 | 170.4 | 0 | 0 | 0 | 116.5 | ||
| 1557 | G | 42.3 | Very low | 54.9 | Low | 79 Ų | 79 | 80.4 Ų | 80.4 | 81% | 0.814 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 104.2 | -20.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 1558 | M | 38.8 | Very low | 55 | Low | 187 Ų | 187 | 82.3 Ų | 82.3 | 92% | 0.921 | 51% | 0.506 | S | S | * | . | trans | -134.2 | 64.3 | 176.2 | -68.5 | -167.9 | 178 | 0 | 0 | 112.5 | S1560 | M1558-S1560 PolarHBondContact O-N 2.74Š| ||
| 1559 | G | 33.7 | Very low | 54.3 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 118.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1560 | S | 46.5 | Very low | 53.7 | Low | 82 Ų | 82 | 83.2 Ų | 83.2 | 57% | 0.573 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 143.5 | -176.5 | 38.2 | 0 | 0 | 0 | 0 | 112.6 | M1558 A1562 | M1558-S1560 PolarHBondContact O-N 2.74Å; S1560-A1562 PolarHBondContact O-N 2.9Å |
| 1561 | E | 46.7 | Very low | 53.1 | Low | 145 Ų | 145 | 87.1 Ų | 87.1 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | B | Isolated β-bridge | trans | -65.5 | 119.5 | -178.1 | -165.9 | 166.2 | -133.5 | 0 | 0 | 109.7 | H1548 | H1548-E1561 IonicContact CE1-OE1 3.39Å; H1548-E1561 IonicContact CG-OE1 2.63Å; H1548-E1561 IonicContact ND1-OE1 2.71Å; H1548-E1561 PolarHBondContact ND1-OE1 2.77Å |
| 1562 | A | 53 | Low | 52.8 | Low | 8 Ų | 8 | 88.1 Ų | 88.1 | 7% | 0.066 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -85.6 | 143.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | C1549 L1551 S1560 V1564 | C1549-A1562 PolarHBondContact O-N 3.41Å; L1551-A1562 HydrophobicContact CG-CB 4.25Å; S1560-A1562 PolarHBondContact O-N 2.9Å; A1562-V1564 PolarHBondContact O-N 3.34Å; A1562-V1564 VanDerWaalsContact O-N 3.1Å |
| 1563 | V | 65.2 | Low | 52.9 | Low | 94 Ų | 94 | 84.9 Ų | 84.9 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 121.9 | 179.5 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | E1565 M1566 | V1563-E1565 HydrophobicContact CG1-CB 4.29Å; V1563-E1565 HydrophobicContact CG1-CG 4.35Å; V1563-E1565 PolarHBondContact O-N 3.45Å; V1563-M1566 HydrophobicContact CB-CG 4.32Å; V1563-M1566 WeakPolarHBondContact O-CB 3.48Å; V1563-M1566 WeakPolarHBondContact O-CG 3.37Å; V1563-M1566 PolarHBondContact O-N 3.27Å |
| 1564 | V | 62 | Low | 53.3 | Low | 75 Ų | 75 | 82 Ų | 82 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -50.8 | -31.7 | -171.9 | 161.4 | 0 | 0 | 0 | 0 | 113.3 | W1526 C1549 A1562 M1566 C1567 N1568 | W1526-V1564 HydrophobicContact CH2-CG1 4.03Å; C1549-V1564 HydrophobicContact CB-CG2 4.4Å; A1562-V1564 PolarHBondContact O-N 3.34Å; A1562-V1564 VanDerWaalsContact O-N 3.1Å; V1564-M1566 PolarHBondContact O-N 2.72Å; V1564-C1567 PolarHBondContact O-N 3.4Å; V1564-N1568 PolarHBondContact O-N 3.3Å |
| 1565 | E | 60.1 | Low | 54.3 | Low | 152 Ų | 152 | 81.3 Ų | 81.3 | 71% | 0.71 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.9 | -29.7 | 176.1 | -58.3 | -173 | 142.5 | 0 | 0 | 113.6 | V1563 N1568 | V1563-E1565 HydrophobicContact CG1-CB 4.29Å; V1563-E1565 HydrophobicContact CG1-CG 4.35Å; V1563-E1565 PolarHBondContact O-N 3.45Å; E1565-N1568 WeakPolarHBondContact O-CB 3.16Å; E1565-N1568 PolarHBondContact O-N 3.07Å |
| 1566 | M | 65.7 | Low | 55 | Low | 83 Ų | 83 | 80.4 Ų | 80.4 | 41% | 0.409 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.8 | -30.6 | 176.2 | -51.6 | -171.6 | 94.3 | 0 | 0 | 112.3 | Y1524 V1563 V1564 | Y1524-M1566 HydrophobicContact CD1-CB 4.4Å; Y1524-M1566 HydrophobicContact CD2-CB 3.87Å; Y1524-M1566 WeakPolarHBondContact CD2-O 3.21Å; Y1524-M1566 HydrophobicContact CE1-CB 4.48Å; Y1524-M1566 HydrophobicContact CE1-CE 3.89Å; Y1524-M1566 HydrophobicContact CE1-SD 4.12Å; Y1524-M1566 HydrophobicContact CE2-CB 3.96Å; Y1524-M1566 HydrophobicContact CE2-CE 4.29Å; Y1524-M1566 HydrophobicContact CG-CB 4.12Å; Y1524-M1566 WeakPolarHBondContact OH-CE 3.45Å; V1563-M1566 HydrophobicContact CB-CG 4.32Å; V1563-M1566 WeakPolarHBondContact O-CB 3.48Å; V1563-M1566 WeakPolarHBondContact O-CG 3.37Å; V1563-M1566 PolarHBondContact O-N 3.27Å; V1564-M1566 PolarHBondContact O-N 2.72Å |
| 1567 | C | 67.1 | Low | 56 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -84.6 | -10.1 | 172.3 | -70.5 | 0 | 0 | 0 | 0 | 113.8 | W1526 C1549 V1564 A1569 L1570 | W1526-C1567 HydrophobicContact CD2-CB 4.05Å; W1526-C1567 HydrophobicContact CH2-CB 4.19Å; W1526-C1567 HydrophobicContact CZ2-CB 3.6Å; W1526-C1567 PolarHBondContact NE1-O 3.24Å; C1549-C1567 VanDerWaalsContact CA-SG 3.59Å; C1549-C1567 HydrophobicContact CB-CB 3.75Å; C1549-C1567 WeakPolarHBondContact CB-SG 3.45Å; C1549-C1567 WeakPolarHBondContact SG-CB 3.28Å; C1549-C1567 CovalentContact SG-SG 2.03Å; C1549-C1567 PolarHBondContact SG-SG 2.88Å; V1564-C1567 PolarHBondContact O-N 3.4Å; C1567-A1569 PolarHBondContact O-N 2.84Å; C1567-L1570 HydrophobicContact CB-CD1 4.46Å; C1567-L1570 WeakPolarHBondContact O-CB 3.46Å; C1567-L1570 PolarHBondContact O-N 2.03Å |
| 1568 | N | 66.6 | Low | 56.8 | Low | 95 Ų | 95 | 75.8 Ų | 75.8 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.1 | 175.9 | -72.9 | -20.6 | 0 | 0 | 0 | 113.3 | V1564 E1565 L1570 | V1564-N1568 PolarHBondContact O-N 3.3Å; E1565-N1568 WeakPolarHBondContact O-CB 3.16Å; E1565-N1568 PolarHBondContact O-N 3.07Å; N1568-L1570 VanDerWaalsContact C-N 3.26Å |
| 1569 | A | 58.9 | Low | 57.5 | Low | 61 Ų | 61 | 67.9 Ų | 67.9 | 50% | 0.504 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -9.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1567 | C1567-A1569 PolarHBondContact O-N 2.84Š|
| 1570 | L | 60.9 | Low | 58.6 | Low | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.188 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -100.8 | 149.2 | 176.6 | -59.5 | 168.8 | 0 | 0 | 0 | 110.2 | C1522 Y1524 C1567 N1568 E1572 | C1522-L1570 HydrophobicContact CB-CD2 3.85Å; Y1524-L1570 VanDerWaalsContact O-CD1 3.31Å; Y1524-L1570 WeakPolarHBondContact O-CD1 3.41Å; C1567-L1570 HydrophobicContact CB-CD1 4.46Å; C1567-L1570 WeakPolarHBondContact O-CB 3.46Å; C1567-L1570 PolarHBondContact O-N 2.03Å; N1568-L1570 VanDerWaalsContact C-N 3.26Å; L1570-E1572 PolarHBondContact O-N 3.01Å |
| 1571 | P | 59.5 | Low | 58.8 | Low | 116 Ų | 116 | 70.4 Ų | 70.4 | 75% | 0.753 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 134.6 | 174.8 | -25.1 | 34.8 | 0 | 0 | 0 | 112.9 | ||
| 1572 | E | 58.1 | Low | 59.2 | Low | 98 Ų | 98 | 66.4 Ų | 66.4 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 136.8 | 173 | -71.3 | -176.9 | 138.5 | 0 | 0 | 110.3 | L1570 Q1583 R1585 | L1570-E1572 PolarHBondContact O-N 3.01Å; E1572-Q1583 VanDerWaalsContact C-NE2 3.35Å; E1572-Q1583 PolarHBondContact O-NE2 3.15Å; E1572-R1585 IonicContact OE1-CZ 2.8Å; E1572-R1585 IonicContact OE1-NH1 2.67Å; E1572-R1585 PolarHBondContact OE1-NH1 3.14Å |
| 1573 | P | 56.2 | Low | 58.9 | Low | 42 Ų | 42 | 67.5 Ų | 67.5 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 160.8 | -175.8 | 30.5 | -36 | 0 | 0 | 0 | 114.7 | W1526 F1547 Q1583 | W1526-P1573 HydrophobicContact CB-CG 4.13Å; W1526-P1573 HydrophobicContact CG-CG 4.23Å; F1547-P1573 HydrophobicContact CB-CG 3.95Å; F1547-P1573 HydrophobicContact CD1-CB 3.83Å; F1547-P1573 HydrophobicContact CD1-CG 3.4Å; F1547-P1573 VanDerWaalsContact CD1-CG 3.4Å; F1547-P1573 HydrophobicContact CD2-CG 3.77Å; F1547-P1573 HydrophobicContact CE1-CB 3.63Å; F1547-P1573 HydrophobicContact CE1-CG 3.73Å; F1547-P1573 HydrophobicContact CE2-CB 4.38Å; F1547-P1573 HydrophobicContact CE2-CG 4.07Å; F1547-P1573 HydrophobicContact CG-CB 4.28Å; F1547-P1573 HydrophobicContact CG-CG 3.43Å; F1547-P1573 VanDerWaalsContact CG-CG 3.43Å; F1547-P1573 HydrophobicContact CZ-CB 3.94Å; F1547-P1573 HydrophobicContact CZ-CG 4.06Å; P1573-Q1583 PolarHBondContact O-NE2 2.95Å |
| 1574 | C | 61 | Low | 58.2 | Low | 21 Ų | 21 | 67.2 Ų | 67.2 | 14% | 0.142 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 157.7 | -179.4 | -77.4 | 0 | 0 | 0 | 0 | 113.8 | F1547 C1614 V1616 | F1547-C1574 WeakPolarHBondContact CZ-O 3.39Å; C1574-C1614 VanDerWaalsContact CA-SG 3.56Å; C1574-C1614 WeakPolarHBondContact CB-SG 3.22Å; C1574-C1614 WeakPolarHBondContact SG-CB 3.21Å; C1574-C1614 CovalentContact SG-SG 2.04Å; C1574-C1614 PolarHBondContact SG-SG 2.98Å; C1574-V1616 HydrophobicContact CB-CG2 3.71Å |
| 1575 | S | 61 | Low | 57.3 | Low | 39 Ų | 39 | 71.9 Ų | 71.9 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -66.4 | -47.9 | 171 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | R1545 T1582 | R1545-S1575 PolarHBondContact NH2-O 2.94Å; S1575-T1582 WeakPolarHBondContact CB-O 3.27Å; S1575-T1582 PolarHBondContact OG-N 2.86Å; S1575-T1582 PolarHBondContact OG-O 3.41Å; S1575-T1582 VanDerWaalsContact OG-O 3.08Å |
| 1576 | V | 54 | Low | 57.1 | Low | 50 Ų | 50 | 73.8 Ų | 73.8 | 30% | 0.303 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -78.8 | 153.4 | 176 | -54.6 | 0 | 0 | 0 | 0 | 112 | C1578 | V1576-C1578 VanDerWaalsContact CG2-O 3.22Å; V1576-C1578 WeakPolarHBondContact CG2-O 3.33Å |
| 1577 | T | 57.7 | Low | 56.5 | Low | 102 Ų | 102 | 74.5 Ų | 74.5 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -85.9 | -19.9 | 174.1 | 45.7 | 0 | 0 | 0 | 0 | 113.7 | V1616 | T1577-V1616 WeakPolarHBondContact O-CG1 3.04Š|
| 1578 | C | 60.6 | Low | 56 | Low | 66 Ų | 66 | 84.9 Ų | 84.9 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -152.7 | 152.4 | 179.9 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | V1576 C1619 | V1576-C1578 VanDerWaalsContact CG2-O 3.22Å; V1576-C1578 WeakPolarHBondContact CG2-O 3.33Å; C1578-C1619 HydrophobicContact CB-CB 4.37Å |
| 1579 | G | 53.7 | Low | 55.8 | Low | 22 Ų | 22 | 81.9 Ų | 81.9 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73 | -159.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1615 V1616 | G1579-L1615 WeakPolarHBondContact O-CA 3.27Å; G1579-V1616 PolarHBondContact N-O 3.03Å; G1579-V1616 PolarHBondContact O-N 3.07Å |
| 1580 | W | 56.1 | Low | 55.6 | Low | 168 Ų | 168 | 82.8 Ų | 82.8 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 127.1 | -177.6 | -71.9 | 101.8 | 0 | 0 | 0 | 111.9 | R1613 L1615 | W1580-R1613 HydrophobicContact CE3-CG 3.87Å; W1580-R1613 HydrophobicContact CZ3-CG 4.18Å; W1580-L1615 HydrophobicContact CD2-CB 4.25Å; W1580-L1615 HydrophobicContact CD2-CD1 3.96Å; W1580-L1615 HydrophobicContact CD2-CD2 4.38Å; W1580-L1615 HydrophobicContact CD2-CG 4.42Å; W1580-L1615 HydrophobicContact CE3-CB 3.87Å; W1580-L1615 HydrophobicContact CE3-CD1 4.46Å; W1580-L1615 HydrophobicContact CG-CD1 4Å; W1580-L1615 HydrophobicContact CH2-CD2 4.08Å; W1580-L1615 HydrophobicContact CZ2-CD2 3.9Å; W1580-L1615 HydrophobicContact CZ3-CB 4.05Å; W1580-L1615 HydrophobicContact CZ3-CD2 4.38Å |
| 1581 | G | 50.7 | Low | 55.5 | Low | 6 Ų | 6 | 84.2 Ų | 84.2 | 6% | 0.062 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 173.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1613 C1614 | G1581-R1613 WeakPolarHBondContact O-CA 3.19Å; G1581-C1614 PolarHBondContact N-O 3.31Å; G1581-C1614 PolarHBondContact O-N 3.48Å |
| 1582 | T | 54.3 | Low | 55.4 | Low | 61 Ų | 61 | 90.6 Ų | 90.6 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.6 | 176.3 | 37.6 | 0 | 0 | 0 | 0 | 110.9 | S1575 R1612 | S1575-T1582 WeakPolarHBondContact CB-O 3.27Å; S1575-T1582 PolarHBondContact OG-N 2.86Å; S1575-T1582 PolarHBondContact OG-O 3.41Å; S1575-T1582 VanDerWaalsContact OG-O 3.08Å; T1582-R1612 WeakPolarHBondContact CA-O 3.21Å |
| 1583 | Q | 48.2 | Very low | 55 | Low | 30 Ų | 30 | 93.5 Ų | 93.5 | 14% | 0.14 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.9 | 171.6 | -58.5 | 176.2 | -68.5 | 0 | 0 | 108.8 | E1572 P1573 R1611 R1612 C1614 | E1572-Q1583 VanDerWaalsContact C-NE2 3.35Å; E1572-Q1583 PolarHBondContact O-NE2 3.15Å; P1573-Q1583 PolarHBondContact O-NE2 2.95Å; Q1583-R1611 WeakPolarHBondContact O-CA 3.42Å; Q1583-R1612 HydrophobicContact CB-CB 4.37Å; Q1583-R1612 PolarHBondContact N-O 2.02Å; Q1583-R1612 PolarHBondContact O-N 2.8Å; Q1583-C1614 HydrophobicContact CG-CB 4.13Å |
| 1584 | E | 49.2 | Very low | 54.7 | Low | 88 Ų | 88 | 94 Ų | 94 | 41% | 0.411 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.2 | 172.8 | -76.2 | -163.6 | -165.8 | 0 | 0 | 110.2 | R1611 | E1584-R1611 HydrophobicContact CG-CG 3.76Å; E1584-R1611 IonicContact OE1-CZ 3.76Å; E1584-R1611 IonicContact OE1-NE 2.64Å; E1584-R1611 PolarHBondContact OE1-NE 3.08Å; E1584-R1611 IonicContact OE1-NH2 2.76Å; E1584-R1611 PolarHBondContact OE1-NH2 3.12Å |
| 1585 | R | 44.1 | Very low | 54.2 | Low | 173 Ų | 173 | 98.5 Ų | 98.5 | 65% | 0.653 | 48% | 0.48 | S | S | * | . | trans | -123.4 | 113.7 | 179.2 | -170.6 | 166.7 | 173.7 | 159 | -3.9 | 110.5 | E1572 I1587 | E1572-R1585 IonicContact OE1-CZ 2.8Å; E1572-R1585 IonicContact OE1-NH1 2.67Å; E1572-R1585 PolarHBondContact OE1-NH1 3.14Å; R1585-I1587 PolarHBondContact O-N 3.26Å | ||
| 1586 | R | 54.8 | Low | 53.5 | Low | 192 Ų | 192 | 107.4 Ų | 107.4 | 73% | 0.725 | 51% | 0.508 | S | S | * | . | trans | -89.3 | 99.8 | 177.3 | -67.1 | -172.9 | -179.1 | -167.3 | 2.9 | 110.6 | ||||
| 1587 | I | 52.7 | Low | 53.5 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | trans | -75.1 | 134 | 172.4 | -68.3 | 173.8 | 0 | 0 | 0 | 110.2 | R1585 | R1585-I1587 PolarHBondContact O-N 3.26Š| ||
| 1588 | R | 57.4 | Low | 53.4 | Low | 218 Ų | 218 | 104.4 Ų | 104.4 | 82% | 0.823 | 49% | 0.491 | S | S | * | . | trans | -105.2 | 123.8 | 164.2 | -63.3 | 179.4 | -175.7 | 136.8 | -1.5 | 108.2 | ||||
| 1589 | C | 61.7 | Low | 53 | Low | 31 Ų | 31 | 109.6 Ų | 109.6 | 21% | 0.209 | 51% | 0.506 | C | S | . | . | trans | -83.3 | 119.9 | 173.9 | -52.1 | 0 | 0 | 0 | 0 | 108.9 | T1597 C1602 | C1589-T1597 HydrophobicContact CB-CG2 3.96Å; C1589-T1597 PolarHBondContact O-N 3.18Å; C1589-T1597 VanDerWaalsContact O-N 3.08Å; C1589-C1602 HydrophobicContact CB-CB 3.72Å; C1589-C1602 WeakPolarHBondContact CB-SG 3.27Å; C1589-C1602 WeakPolarHBondContact SG-CB 3.21Å; C1589-C1602 CovalentContact SG-SG 2.04Å; C1589-C1602 PolarHBondContact SG-SG 2.97Å | ||
| 1590 | V | 56.4 | Low | 53 | Low | 80 Ų | 80 | 116 Ų | 116 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | B | Isolated β-bridge | trans | -123.9 | 150.6 | 176.5 | -66.2 | 0 | 0 | 0 | 0 | 110.1 | G1594 L1595 | V1590-G1594 VanDerWaalsContact CG1-O 3.29Å; V1590-G1594 WeakPolarHBondContact CG1-O 3.08Å; V1590-L1595 CarbonylContact C-O 3.46Å; V1590-L1595 VanDerWaalsContact CA-O 3.28Å; V1590-L1595 WeakPolarHBondContact CA-O 3.21Å |
| 1591 | N | 57.4 | Low | 52.9 | Low | 67 Ų | 67 | 114.4 Ų | 114.4 | 36% | 0.358 | 53% | 0.533 | S | S | . | . | trans | -78.5 | 179.5 | 169.9 | 71.4 | 15.6 | 0 | 0 | 0 | 110.9 | H1593 G1594 L1595 | N1591-H1593 PolarHBondContact O-N 3.31Å; N1591-H1593 WeakPolarHBondContact OD1-CA 3.27Å; N1591-H1593 PolarHBondContact OD1-N 2.63Å; N1591-G1594 PolarHBondContact O-N 2.71Å; N1591-G1594 PolarHBondContact OD1-N 3.48Å; N1591-L1595 PolarHBondContact N-O 3.13Å; N1591-L1595 PolarHBondContact OD1-N 2.98Å; N1591-L1595 VanDerWaalsContact OD1-N 3.14Å; N1591-L1595 PolarHBondContact OD1-O 3.08Å | ||
| 1592 | R | 57.8 | Low | 52.9 | Low | 249 Ų | 249 | 115.8 Ų | 115.8 | 94% | 0.94 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.5 | 179.6 | -68.7 | -174 | 180 | -180 | 0.4 | 114.7 | ||
| 1593 | H | 50.1 | Low | 52.7 | Low | 159 Ų | 159 | 118.1 Ų | 118.1 | 74% | 0.736 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 15.9 | 177.6 | -54.1 | -81.5 | 0 | 0 | 0 | 112.4 | N1591 L1595 | N1591-H1593 PolarHBondContact O-N 3.31Å; N1591-H1593 WeakPolarHBondContact OD1-CA 3.27Å; N1591-H1593 PolarHBondContact OD1-N 2.63Å; H1593-L1595 PolarHBondContact O-N 2.85Å; H1593-L1595 VanDerWaalsContact O-N 3.12Å |
| 1594 | G | 49.2 | Very low | 52.7 | Low | 53 Ų | 53 | 121.7 Ų | 121.7 | 55% | 0.546 | 58% | 0.578 | S | S | . | * | S | Bend | trans | 73.5 | -4.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | V1590 N1591 | V1590-G1594 VanDerWaalsContact CG1-O 3.29Å; V1590-G1594 WeakPolarHBondContact CG1-O 3.08Å; N1591-G1594 PolarHBondContact O-N 2.71Å; N1591-G1594 PolarHBondContact OD1-N 3.48Å |
| 1595 | L | 51 | Low | 52.7 | Low | 116 Ų | 116 | 120.7 Ų | 120.7 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 137 | -179 | -70.4 | 168.7 | 0 | 0 | 0 | 111.1 | V1590 N1591 H1593 T1597 | V1590-L1595 CarbonylContact C-O 3.46Å; V1590-L1595 VanDerWaalsContact CA-O 3.28Å; V1590-L1595 WeakPolarHBondContact CA-O 3.21Å; N1591-L1595 PolarHBondContact N-O 3.13Å; N1591-L1595 PolarHBondContact OD1-N 2.98Å; N1591-L1595 VanDerWaalsContact OD1-N 3.14Å; N1591-L1595 PolarHBondContact OD1-O 3.08Å; H1593-L1595 PolarHBondContact O-N 2.85Å; H1593-L1595 VanDerWaalsContact O-N 3.12Å; L1595-T1597 PolarHBondContact O-N 2.88Å |
| 1596 | R | 46.4 | Very low | 52.8 | Low | 226 Ų | 226 | 119.2 Ų | 119.2 | 85% | 0.853 | 60% | 0.596 | S | S | * | * | B | Isolated β-bridge | trans | -65.6 | 116.6 | -175.8 | -172.5 | 179.7 | -175.5 | 179.5 | -0.4 | 110.6 | ||
| 1597 | T | 53.7 | Low | 52.1 | Low | 44 Ų | 44 | 116.9 Ų | 116.9 | 27% | 0.27 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -96.2 | 170.4 | -178.7 | -166.4 | 0 | 0 | 0 | 0 | 112.2 | C1589 L1595 | C1589-T1597 HydrophobicContact CB-CG2 3.96Å; C1589-T1597 PolarHBondContact O-N 3.18Å; C1589-T1597 VanDerWaalsContact O-N 3.08Å; L1595-T1597 PolarHBondContact O-N 2.88Å |
| 1598 | S | 56.5 | Low | 51.7 | Low | 44 Ų | 44 | 117.4 Ų | 117.4 | 31% | 0.308 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 167 | 178.8 | 91.3 | 0 | 0 | 0 | 0 | 112.1 | E1600 | S1598-E1600 VanDerWaalsContact C-N 3.34Å; S1598-E1600 WeakPolarHBondContact CB-OE2 3.47Å; S1598-E1600 PolarHBondContact OG-OE2 2.69Å |
| 1599 | K | 51.3 | Low | 51.2 | Low | 176 Ų | 176 | 115.8 Ų | 115.8 | 77% | 0.765 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -79.4 | -23.4 | -173.3 | -155.7 | 179.9 | -176.1 | -176.2 | 0 | 112 | ||
| 1600 | E | 53.6 | Low | 50.5 | Low | 156 Ų | 156 | 123 Ų | 123 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -37.9 | 179.1 | -49.6 | 74.6 | -107.9 | 0 | 0 | 111.3 | S1598 C1602 | S1598-E1600 VanDerWaalsContact C-N 3.34Å; S1598-E1600 WeakPolarHBondContact CB-OE2 3.47Å; S1598-E1600 PolarHBondContact OG-OE2 2.69Å; E1600-C1602 PolarHBondContact O-N 3.33Å; E1600-C1602 VanDerWaalsContact O-N 3.13Å |
| 1601 | L | 54.1 | Low | 50 | Low | 134 Ų | 134 | 126.6 Ų | 126.6 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 8.6 | -177.9 | -70.5 | 165.5 | 0 | 0 | 0 | 114.3 | ||
| 1602 | C | 51.5 | Low | 49.6 | Very low | 35 Ų | 35 | 131.4 Ų | 131.4 | 24% | 0.236 | 65% | 0.645 | C | S | . | * | S | Bend | trans | -107.7 | 103.6 | -172.2 | -160.9 | 0 | 0 | 0 | 0 | 111.2 | C1589 E1600 P1604 | C1589-C1602 HydrophobicContact CB-CB 3.72Å; C1589-C1602 WeakPolarHBondContact CB-SG 3.27Å; C1589-C1602 WeakPolarHBondContact SG-CB 3.21Å; C1589-C1602 CovalentContact SG-SG 2.04Å; C1589-C1602 PolarHBondContact SG-SG 2.97Å; E1600-C1602 PolarHBondContact O-N 3.33Å; E1600-C1602 VanDerWaalsContact O-N 3.13Å; C1602-P1604 WeakPolarHBondContact O-CD 3.47Å |
| 1603 | N | 49.2 | Very low | 49.4 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | trans | -49.9 | 115.9 | -168.4 | -173.8 | -20.8 | 0 | 0 | 0 | 113.2 | G1605 L1606 | N1603-G1605 VanDerWaalsContact C-N 3.27Å; N1603-G1605 PolarHBondContact O-N 3.32Å; N1603-G1605 PolarHBondContact OD1-N 3.25Å; N1603-L1606 PolarHBondContact O-N 3.27Å | ||
| 1604 | P | 49.1 | Very low | 49.5 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 68% | 0.675 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -61.8 | -26.8 | -177.4 | -25.8 | 35.3 | 0 | 0 | 0 | 115.4 | C1602 L1606 K1607 | C1602-P1604 WeakPolarHBondContact O-CD 3.47Å; P1604-L1606 PolarHBondContact O-N 2.94Å; P1604-K1607 VanDerWaalsContact O-CB 3.26Å; P1604-K1607 WeakPolarHBondContact O-CB 3.05Å |
| 1605 | G | 47.9 | Very low | 49.6 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 70% | 0.701 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -67.6 | -20.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1603 | N1603-G1605 VanDerWaalsContact C-N 3.27Å; N1603-G1605 PolarHBondContact O-N 3.32Å; N1603-G1605 PolarHBondContact OD1-N 3.25Å |
| 1606 | L | 47 | Very low | 49.9 | Very low | 141 Ų | 141 | 118.9 Ų | 118.9 | 74% | 0.738 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -102.6 | 35.1 | -176.9 | -64 | 173 | 0 | 0 | 0 | 112.4 | N1603 P1604 P1608 | N1603-L1606 PolarHBondContact O-N 3.27Å; P1604-L1606 PolarHBondContact O-N 2.94Å; L1606-P1608 WeakPolarHBondContact O-CD 3.33Å |
| 1607 | K | 39.6 | Very low | 50.3 | Low | 143 Ų | 143 | 116.4 Ų | 116.4 | 62% | 0.622 | 57% | 0.574 | S | S | * | * | trans | -126.9 | 84.6 | -166.9 | -163.2 | 175.7 | -174.3 | 173.4 | 0 | 112.8 | P1604 | P1604-K1607 VanDerWaalsContact O-CB 3.26Å; P1604-K1607 WeakPolarHBondContact O-CB 3.05Å | ||
| 1608 | P | 45.8 | Very low | 50 | Low | 110 Ų | 110 | 121.4 Ų | 121.4 | 71% | 0.714 | 60% | 0.6 | S | S | * | * | trans | -58.5 | 163.2 | 179 | -26 | 35.8 | 0 | 0 | 0 | 114.7 | L1606 K1610 | L1606-P1608 WeakPolarHBondContact O-CD 3.33Å; P1608-K1610 PolarHBondContact O-N 3.01Å | ||
| 1609 | K | 46.5 | Very low | 49.2 | Very low | 185 Ų | 185 | 122.8 Ų | 122.8 | 80% | 0.804 | 61% | 0.608 | S | S | * | * | trans | -56.5 | 127.9 | -177.6 | -69.4 | -173 | 176.8 | -175.8 | 0 | 111.2 | R1611 | K1609-R1611 VanDerWaalsContact C-N 3.3Å; K1609-R1611 PolarHBondContact O-N 2.88Å | ||
| 1610 | K | 46.1 | Very low | 48.5 | Very low | 183 Ų | 183 | 119.5 Ų | 119.5 | 80% | 0.796 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -66 | -21.8 | -163.9 | -161.5 | -173.2 | 177.2 | -160.8 | 0 | 115.8 | P1608 | P1608-K1610 PolarHBondContact O-N 3.01Š|
| 1611 | R | 46.6 | Very low | 47.5 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -137 | 137.1 | 175.7 | -92.3 | -177.9 | 168.9 | -165.6 | -8.6 | 108.2 | Q1583 E1584 K1609 | Q1583-R1611 WeakPolarHBondContact O-CA 3.42Å; E1584-R1611 HydrophobicContact CG-CG 3.76Å; E1584-R1611 IonicContact OE1-CZ 3.76Å; E1584-R1611 IonicContact OE1-NE 2.64Å; E1584-R1611 PolarHBondContact OE1-NE 3.08Å; E1584-R1611 IonicContact OE1-NH2 2.76Å; E1584-R1611 PolarHBondContact OE1-NH2 3.12Å; K1609-R1611 VanDerWaalsContact C-N 3.3Å; K1609-R1611 PolarHBondContact O-N 2.88Å |
| 1612 | R | 49.2 | Very low | 46.4 | Very low | 169 Ų | 169 | 123.7 Ų | 123.7 | 64% | 0.638 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.1 | 167.1 | -171.8 | -179.1 | -176 | -173.9 | 1.7 | 109.3 | T1582 Q1583 | T1582-R1612 WeakPolarHBondContact CA-O 3.21Å; Q1583-R1612 HydrophobicContact CB-CB 4.37Å; Q1583-R1612 PolarHBondContact N-O 2.02Å; Q1583-R1612 PolarHBondContact O-N 2.8Å |
| 1613 | R | 52.2 | Low | 45.3 | Very low | 185 Ų | 185 | 126.8 Ų | 126.8 | 70% | 0.698 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 132.7 | 170.7 | -149.9 | -168.3 | -59.8 | 155.4 | -0.2 | 108.2 | W1580 G1581 | W1580-R1613 HydrophobicContact CE3-CG 3.87Å; W1580-R1613 HydrophobicContact CZ3-CG 4.18Å; G1581-R1613 WeakPolarHBondContact O-CA 3.19Å |
| 1614 | C | 53.5 | Low | 44 | Very low | 17 Ų | 17 | 129.1 Ų | 129.1 | 12% | 0.115 | 65% | 0.652 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.6 | 164.2 | 177 | 73.8 | 0 | 0 | 0 | 0 | 109.7 | C1574 G1581 Q1583 | C1574-C1614 VanDerWaalsContact CA-SG 3.56Å; C1574-C1614 WeakPolarHBondContact CB-SG 3.22Å; C1574-C1614 WeakPolarHBondContact SG-CB 3.21Å; C1574-C1614 CovalentContact SG-SG 2.04Å; C1574-C1614 PolarHBondContact SG-SG 2.98Å; G1581-C1614 PolarHBondContact N-O 3.31Å; G1581-C1614 PolarHBondContact O-N 3.48Å; Q1583-C1614 HydrophobicContact CG-CB 4.13Å |
| 1615 | L | 51.2 | Low | 43 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 35% | 0.351 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -142.7 | 115.6 | -174 | 173.4 | 57.6 | 0 | 0 | 0 | 109.3 | G1579 W1580 K1617 | G1579-L1615 WeakPolarHBondContact O-CA 3.27Å; W1580-L1615 HydrophobicContact CD2-CB 4.25Å; W1580-L1615 HydrophobicContact CD2-CD1 3.96Å; W1580-L1615 HydrophobicContact CD2-CD2 4.38Å; W1580-L1615 HydrophobicContact CD2-CG 4.42Å; W1580-L1615 HydrophobicContact CE3-CB 3.87Å; W1580-L1615 HydrophobicContact CE3-CD1 4.46Å; W1580-L1615 HydrophobicContact CG-CD1 4Å; W1580-L1615 HydrophobicContact CH2-CD2 4.08Å; W1580-L1615 HydrophobicContact CZ2-CD2 3.9Å; W1580-L1615 HydrophobicContact CZ3-CB 4.05Å; W1580-L1615 HydrophobicContact CZ3-CD2 4.38Å; L1615-K1617 HydrophobicContact CD2-CD 4.48Å; L1615-K1617 HydrophobicContact CD2-CG 4.07Å; L1615-K1617 HydrophobicContact CG-CG 3.85Å |
| 1616 | V | 57.5 | Low | 41.8 | Very low | 45 Ų | 45 | 136 Ų | 136 | 27% | 0.273 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 111.2 | 172.7 | -174 | 0 | 0 | 0 | 0 | 107.4 | C1574 T1577 G1579 C1619 | C1574-V1616 HydrophobicContact CB-CG2 3.71Å; T1577-V1616 WeakPolarHBondContact O-CG1 3.04Å; G1579-V1616 PolarHBondContact N-O 3.03Å; G1579-V1616 PolarHBondContact O-N 3.07Å; V1616-C1619 PolarHBondContact O-SG 3.42Å |
| 1617 | K | 54.6 | Low | 40.7 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | trans | -86.8 | -25.5 | -168.7 | -72 | -164.6 | 173 | -167.9 | 0 | 115.2 | L1615 C1619 | L1615-K1617 HydrophobicContact CD2-CD 4.48Å; L1615-K1617 HydrophobicContact CD2-CG 4.07Å; L1615-K1617 HydrophobicContact CG-CG 3.85Å; K1617-C1619 PolarHBondContact O-N 2.64Å | ||
| 1618 | D | 46.6 | Very low | 39.9 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | trans | -79.6 | 100.9 | 176.2 | -77.9 | -57.4 | 0 | 0 | 0 | 110.8 | ||||
| 1619 | C | 41 | Very low | 38.8 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 49% | 0.486 | 69% | 0.688 | S | S | . | * | trans | -119.5 | 60.5 | -174.9 | -59.9 | 0 | 0 | 0 | 0 | 110 | C1578 V1616 K1617 | C1578-C1619 HydrophobicContact CB-CB 4.37Å; V1616-C1619 PolarHBondContact O-SG 3.42Å; K1617-C1619 PolarHBondContact O-N 2.64Å | ||
| 1620 | S | 35.4 | Very low | 37.5 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | trans | -150.6 | 76.2 | -168.8 | -64.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1621 | H | 34 | Very low | 36.3 | Very low | 193 Ų | 193 | 134 Ų | 134 | 89% | 0.894 | 69% | 0.691 | S | S | * | * | trans | -153.3 | 154.8 | 150.3 | -124 | -89 | 0 | 0 | 0 | 111.2 | ||||
| 1622 | H | 30 | Very low | 35.2 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | -75.1 | 156.8 | -166.2 | -88.3 | -93.6 | 0 | 0 | 0 | 115.4 | ||||
| 1623 | P | 28.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | trans | -101.9 | 175.3 | -173.9 | 42 | -37.4 | 0 | 0 | 0 | 114.2 | ||||
| 1624 | M | 22.1 | Very low | 32.5 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 79% | 0.788 | 72% | 0.717 | S | S | * | * | trans | 67.9 | 118.8 | 163.7 | -64.8 | 174.5 | 64.2 | 0 | 0 | 118.4 | ||||
| 1625 | E | 27.1 | Very low | 31 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | -146.5 | 162.3 | 112.8 | -131.1 | 172 | -142.7 | 0 | 0 | 110.1 | |||||
| 1626 | T | 24.3 | Very low | 29.6 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -136.4 | 128 | -160 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1627 | A | 23.2 | Very low | 27.9 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -142.8 | 147.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1628 | A | 23.1 | Very low | 26.3 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -63.1 | 158.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1629 | S | 21.6 | Very low | 25.2 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -143.2 | 79.8 | 166.7 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1630 | Y | 20.5 | Very low | 24.2 | Very low | 216 Ų | 216 | 141.4 Ų | 141.4 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -158.7 | 96.1 | 146.7 | -145.8 | -102.5 | 0 | 0 | 0 | 113.3 | ||||
| 1631 | Q | 20.7 | Very low | 23.6 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | 169.1 | 136.1 | 129.4 | -93.9 | -178.6 | -29.6 | 0 | 0 | 109.8 | |||||
| 1632 | I | 22.3 | Very low | 23 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -116.9 | 115.7 | 178.2 | -64.6 | 172.9 | 0 | 0 | 0 | 108.3 | ||||
| 1633 | S | 22.3 | Very low | 22.7 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -158.3 | 123.7 | 163.7 | 55.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1634 | Q | 22.6 | Very low | 22.4 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | 70.8 | 86.8 | 156.6 | -57.6 | 179.6 | 6.4 | 0 | 0 | 119.2 | ||||
| 1635 | I | 22.2 | Very low | 22.5 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | 34.3 | 121 | 121.7 | -52.1 | 170.3 | 0 | 0 | 0 | 118.4 | |||||
| 1636 | G | 21.7 | Very low | 22.5 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 162.4 | 101.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1637 | S | 23 | Very low | 22.7 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | 64.5 | 103.1 | 141.3 | -148.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1638 | L | 20.3 | Very low | 22.9 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | 61.7 | 147 | 126 | -70.1 | 168.7 | 0 | 0 | 0 | 124.9 | |||||
| 1639 | T | 23 | Very low | 23.4 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | trans | 61.4 | 142.3 | 157.5 | 48.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1640 | S | 21.3 | Very low | 23.7 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | cis | 153.2 | 124.9 | -21.7 | 51 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1641 | L | 22.1 | Very low | 24.2 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | 175.5 | 177.1 | 151.5 | -99.6 | 161.1 | 0 | 0 | 0 | 112.5 | ||||
| 1642 | S | 21.7 | Very low | 25.3 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -149.7 | 143.9 | -158.5 | 56 | 0 | 0 | 0 | 0 | 117 | ||||
| 1643 | A | 23 | Very low | 26.8 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | 178.6 | 166.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1644 | R | 23.5 | Very low | 29.3 | Very low | 223 Ų | 223 | 142.9 Ų | 142.9 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | cis | -169.4 | 137.6 | -39.7 | -171.3 | -179.4 | -66.8 | -152.4 | 1.6 | 110 | ||||
| 1645 | N | 23.2 | Very low | 32.1 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 28.4 | 136.1 | 161.6 | -61.5 | 9.2 | 0 | 0 | 0 | 123.9 | ||||
| 1646 | S | 27.3 | Very low | 35 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -162.7 | 158 | 133 | -83.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1647 | T | 28.5 | Very low | 38.2 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 92% | 0.92 | 71% | 0.705 | S | S | * | * | trans | -149.4 | 148 | -170 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1648 | G | 27.6 | Very low | 41.3 | Very low | 62 Ų | 62 | 124.8 Ų | 124.8 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | trans | -144.6 | 160 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1649 | P | 33 | Very low | 44.4 | Very low | 133 Ų | 133 | 122 Ų | 122 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 158.9 | -165.6 | 35.2 | -36.5 | 0 | 0 | 0 | 115.9 | ||
| 1650 | Y | 28.3 | Very low | 47.3 | Very low | 217 Ų | 217 | 117.7 Ų | 117.7 | 85% | 0.851 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 148.3 | -175.8 | -82.7 | -112.7 | 0 | 0 | 0 | 114.2 | ||
| 1651 | V | 29.7 | Very low | 50.3 | Low | 144 Ų | 144 | 113.1 Ų | 113.1 | 87% | 0.873 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 123 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1652 | Y | 44.2 | Very low | 53 | Low | 200 Ų | 200 | 108.1 Ų | 108.1 | 78% | 0.784 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 127 | 177 | -77.5 | -92.3 | 0 | 0 | 0 | 112 | ||
| 1653 | R | 55 | Low | 55.5 | Low | 182 Ų | 182 | 108.4 Ų | 108.4 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -92.2 | 134.3 | 171.5 | 178.1 | 175 | 169.7 | 172.8 | -7.3 | 110.3 | E1660 M1664 | R1653-E1660 IonicContact CZ-OE1 3.19Å; R1653-E1660 IonicContact NH2-OE1 2.72Å; R1653-E1660 PolarHBondContact NH2-OE1 2.88Å; R1653-M1664 HydrophobicContact CG-CE 4.01Å |
| 1654 | W | 73.2 | Confident | 58 | Low | 122 Ų | 122 | 107.3 Ų | 107.3 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -98.5 | 149.6 | 176.2 | -60.8 | 95.2 | 0 | 0 | 0 | 111.7 | W1676 | W1654-W1676 HydrophobicContact CB-CB 3.59Å; W1654-W1676 HydrophobicContact CB-CG 4.11Å; W1654-W1676 HydrophobicContact CG-CB 4.41Å; W1654-W1676 HydrophobicContact CG-CE3 4.24Å |
| 1655 | P | 82.5 | Confident | 60.3 | Low | 7 Ų | 7 | 104.3 Ų | 104.3 | 5% | 0.045 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 142.4 | 175.6 | 30.8 | -33.5 | 0 | 0 | 0 | 111.9 | E1660 L1661 M1664 I1675 W1676 | P1655-E1660 HydrophobicContact CB-CB 3.92Å; P1655-L1661 HydrophobicContact CB-CB 3.95Å; P1655-L1661 HydrophobicContact CG-CB 4.06Å; P1655-L1661 HydrophobicContact CG-CD1 3.87Å; P1655-M1664 HydrophobicContact CB-CE 4.45Å; P1655-M1664 HydrophobicContact CB-SD 3.75Å; P1655-M1664 HydrophobicContact CG-SD 4.39Å; P1655-I1675 WeakPolarHBondContact O-CG2 3.06Å; P1655-W1676 PolarHBondContact O-N 3.26Å |
| 1656 | K | 83.8 | Confident | 62.5 | Low | 120 Ų | 120 | 104 Ų | 104 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -93.3 | -21.9 | -176.7 | -63.9 | 174.4 | 179 | -179 | 0 | 115.5 | E1660 I1675 | K1656-E1660 WeakPolarHBondContact CB-OE2 3.21Å; K1656-E1660 WeakPolarHBondContact CG-OE2 3.29Å; K1656-E1660 PolarHBondContact N-OE2 3.46Å; K1656-I1675 WeakPolarHBondContact O-CG2 3.06Å |
| 1657 | N | 87.6 | Confident | 64.5 | Low | 33 Ų | 33 | 99.5 Ų | 99.5 | 18% | 0.176 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -150 | 173.1 | 177.7 | 58.7 | 30.7 | 0 | 0 | 0 | 110.4 | Y1659 E1660 L1661 L1754 | N1657-Y1659 PolarHBondContact O-N 3Å; N1657-Y1659 PolarHBondContact OD1-N 3.21Å; N1657-E1660 PolarHBondContact O-N 2.94Å; N1657-E1660 PolarHBondContact OD1-N 3.46Å; N1657-L1661 WeakPolarHBondContact O-CB 3.35Å; N1657-L1661 PolarHBondContact O-N 2.58Å; N1657-L1754 HydrophobicContact CB-CD1 4.4Å |
| 1658 | C | 88 | Confident | 66.8 | Low | 0 Ų | 0 | 95.7 Ų | 95.7 | 0% | 0 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.2 | -27.9 | -177 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | R1662 C1686 M1689 P1694 E1696 | C1658-R1662 WeakPolarHBondContact O-CB 3.47Å; C1658-R1662 PolarHBondContact O-N 2.68Å; C1658-C1686 HydrophobicContact CB-CB 3.72Å; C1658-C1686 WeakPolarHBondContact CB-SG 3.46Å; C1658-C1686 WeakPolarHBondContact SG-CA 3.46Å; C1658-C1686 WeakPolarHBondContact SG-CB 3.12Å; C1658-C1686 CovalentContact SG-SG 2.03Å; C1658-C1686 PolarHBondContact SG-SG 2.99Å; C1658-M1689 HydrophobicContact CB-SD 4.14Å; C1658-P1694 HydrophobicContact CB-CB 3.86Å; C1658-P1694 HydrophobicContact CB-CG 3.58Å; C1658-E1696 WeakPolarHBondContact CA-OE1 3.21Å; C1658-E1696 HydrophobicContact CB-CG 4.39Å; C1658-E1696 WeakPolarHBondContact CB-OE1 3.48Å; C1658-E1696 PolarHBondContact N-OE1 3.02Å |
| 1659 | Y | 86 | Confident | 69.2 | Low | 90 Ų | 90 | 95.3 Ų | 95.3 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.3 | -44.8 | 175 | -179.7 | -104 | 0 | 0 | 0 | 113.1 | N1657 L1661 R1662 Q1663 L1692 Y1693 | N1657-Y1659 PolarHBondContact O-N 3Å; N1657-Y1659 PolarHBondContact OD1-N 3.21Å; Y1659-L1661 VanDerWaalsContact C-N 3.35Å; Y1659-R1662 PolarHBondContact O-N 2.74Å; Y1659-Q1663 PolarHBondContact O-N 2.82Å; Y1659-L1692 WeakPolarHBondContact CD2-O 3.37Å; Y1659-L1692 WeakPolarHBondContact CE2-O 3.41Å; Y1659-Y1693 HydrophobicContact CD2-CD1 4.34Å; Y1659-Y1693 HydrophobicContact CE2-CD1 4.43Å; Y1659-Y1693 HydrophobicContact CE2-CE1 4.41Å |
| 1660 | E | 84.4 | Confident | 71.8 | Confident | 34 Ų | 34 | 91.7 Ų | 91.7 | 16% | 0.159 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 169.8 | -94 | -158.3 | 145.7 | 0 | 0 | 111.1 | R1653 P1655 K1656 N1657 R1662 Q1663 M1664 | R1653-E1660 IonicContact CZ-OE1 3.19Å; R1653-E1660 IonicContact NH2-OE1 2.72Å; R1653-E1660 PolarHBondContact NH2-OE1 2.88Å; P1655-E1660 HydrophobicContact CB-CB 3.92Å; K1656-E1660 WeakPolarHBondContact CB-OE2 3.21Å; K1656-E1660 WeakPolarHBondContact CG-OE2 3.29Å; K1656-E1660 PolarHBondContact N-OE2 3.46Å; N1657-E1660 PolarHBondContact O-N 2.94Å; N1657-E1660 PolarHBondContact OD1-N 3.46Å; E1660-R1662 PolarHBondContact O-N 3Å; E1660-Q1663 PolarHBondContact O-N 3.31Å; E1660-Q1663 VanDerWaalsContact O-N 3.17Å; E1660-M1664 HydrophobicContact CB-CE 4.36Å; E1660-M1664 HydrophobicContact CG-CE 4.31Å; E1660-M1664 WeakPolarHBondContact O-CB 3.16Å; E1660-M1664 WeakPolarHBondContact O-CG 3.28Å; E1660-M1664 PolarHBondContact O-N 3.39Å |
| 1661 | L | 84.3 | Confident | 74.7 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 176.8 | 172.8 | 76 | 0 | 0 | 0 | 111.8 | P1655 N1657 Y1659 Q1663 M1664 R1665 Y1673 M1689 | P1655-L1661 HydrophobicContact CB-CB 3.95Å; P1655-L1661 HydrophobicContact CG-CB 4.06Å; P1655-L1661 HydrophobicContact CG-CD1 3.87Å; N1657-L1661 WeakPolarHBondContact O-CB 3.35Å; N1657-L1661 PolarHBondContact O-N 2.58Å; Y1659-L1661 VanDerWaalsContact C-N 3.35Å; L1661-Q1663 PolarHBondContact O-N 2.88Å; L1661-M1664 PolarHBondContact O-N 3.33Å; L1661-R1665 HydrophobicContact CD1-CG 4.39Å; L1661-R1665 PolarHBondContact O-N 2.94Å; L1661-Y1673 HydrophobicContact CD1-CD1 4.29Å; L1661-Y1673 HydrophobicContact CD1-CG 4.48Å; L1661-Y1673 VanDerWaalsContact CD2-CB 3.49Å; L1661-Y1673 HydrophobicContact CD2-CD1 3.81Å; L1661-Y1673 HydrophobicContact CD2-CD2 3.42Å; L1661-Y1673 VanDerWaalsContact CD2-CD2 3.42Å; L1661-Y1673 HydrophobicContact CD2-CE1 4.33Å; L1661-Y1673 HydrophobicContact CD2-CE2 3.98Å; L1661-Y1673 HydrophobicContact CD2-CG 3.3Å; L1661-Y1673 HydrophobicContact CG-CG 4.48Å; L1661-M1689 HydrophobicContact CD2-CE 3.76Å; L1661-M1689 HydrophobicContact CG-CE 4.11Å |
| 1662 | R | 79.2 | Confident | 77.5 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 27% | 0.268 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.8 | -37.5 | 177.4 | -158.7 | -173.7 | 80 | 87.2 | 4.4 | 111.2 | C1658 Y1659 E1660 N1666 T1667 M1689 | C1658-R1662 WeakPolarHBondContact O-CB 3.47Å; C1658-R1662 PolarHBondContact O-N 2.68Å; Y1659-R1662 PolarHBondContact O-N 2.74Å; E1660-R1662 PolarHBondContact O-N 3Å; R1662-N1666 WeakPolarHBondContact O-CA 3.5Å; R1662-N1666 PolarHBondContact O-N 3.49Å; R1662-T1667 WeakPolarHBondContact CG-O 3.27Å; R1662-M1689 HydrophobicContact CB-CE 3.83Å; R1662-M1689 HydrophobicContact CB-SD 4.37Å; R1662-M1689 WeakPolarHBondContact CD-O 3.22Å; R1662-M1689 HydrophobicContact CG-CE 4.07Å |
| 1663 | Q | 74.1 | Confident | 79.7 | Confident | 116 Ų | 116 | 70 Ų | 70 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.1 | -44.4 | 175.7 | -68.3 | 179.1 | 103.2 | 0 | 0 | 113 | Y1659 E1660 L1661 | Y1659-Q1663 PolarHBondContact O-N 2.82Å; E1660-Q1663 PolarHBondContact O-N 3.31Å; E1660-Q1663 VanDerWaalsContact O-N 3.17Å; L1661-Q1663 PolarHBondContact O-N 2.88Å |
| 1664 | M | 74.6 | Confident | 81.2 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74.1 | -35.9 | -174 | -72.1 | -173.2 | -171.1 | 0 | 0 | 114.2 | R1653 P1655 E1660 L1661 | R1653-M1664 HydrophobicContact CG-CE 4.01Å; P1655-M1664 HydrophobicContact CB-CE 4.45Å; P1655-M1664 HydrophobicContact CB-SD 3.75Å; P1655-M1664 HydrophobicContact CG-SD 4.39Å; E1660-M1664 HydrophobicContact CB-CE 4.36Å; E1660-M1664 HydrophobicContact CG-CE 4.31Å; E1660-M1664 WeakPolarHBondContact O-CB 3.16Å; E1660-M1664 WeakPolarHBondContact O-CG 3.28Å; E1660-M1664 PolarHBondContact O-N 3.39Å; L1661-M1664 PolarHBondContact O-N 3.33Å |
| 1665 | R | 71.7 | Confident | 81.8 | Confident | 160 Ų | 160 | 59.3 Ų | 59.3 | 60% | 0.604 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -110.7 | -1.2 | -178.7 | -71.9 | -170 | 172.9 | -168.5 | -1.2 | 114 | L1661 T1667 | L1661-R1665 HydrophobicContact CD1-CG 4.39Å; L1661-R1665 PolarHBondContact O-N 2.94Å; R1665-T1667 HydrophobicContact CB-CG2 3.78Å; R1665-T1667 PolarHBondContact O-N 2.04Å; R1665-T1667 VanDerWaalsContact O-N 3.12Å |
| 1666 | N | 68.7 | Low | 81.7 | Confident | 141 Ų | 141 | 64 Ų | 64 | 75% | 0.754 | 32% | 0.315 | S | S | * | . | trans | 50.2 | 32.7 | -175.8 | -156.7 | 12.8 | 0 | 0 | 0 | 113.8 | R1662 | R1662-N1666 WeakPolarHBondContact O-CA 3.5Å; R1662-N1666 PolarHBondContact O-N 3.49Å | ||
| 1667 | T | 70.5 | Confident | 81 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | trans | -82.1 | 142.4 | -179.9 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | R1662 R1665 Y1673 M1689 | R1662-T1667 WeakPolarHBondContact CG-O 3.27Å; R1665-T1667 HydrophobicContact CB-CG2 3.78Å; R1665-T1667 PolarHBondContact O-N 2.04Å; R1665-T1667 VanDerWaalsContact O-N 3.12Å; T1667-Y1673 WeakPolarHBondContact CB-OH 3.37Å; T1667-Y1673 HydrophobicContact CG2-CE1 4.34Å; T1667-Y1673 PolarHBondContact OG1-OH 3.24Å; T1667-M1689 WeakPolarHBondContact OG1-CE 3.04Å | ||
| 1668 | S | 75.7 | Confident | 80.1 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 49% | 0.49 | 31% | 0.314 | S | S | . | . | trans | -130 | 17.7 | 177.7 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | K1690 | S1668-K1690 WeakPolarHBondContact O-CE 3.44Å; S1668-K1690 WeakPolarHBondContact O-CG 3Å | ||
| 1669 | A | 79.8 | Confident | 79.3 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -97.9 | 136.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y1673 M1689 | A1669-Y1673 PolarHBondContact O-OH 2.77Å; A1669-M1689 WeakPolarHBondContact O-CB 3.37Å; A1669-M1689 WeakPolarHBondContact O-CG 3.3Å |
| 1670 | D | 85.7 | Confident | 78.8 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | trans | -76.2 | 132.2 | 171.9 | -66.3 | 13.4 | 0 | 0 | 0 | 108.4 | C1686 Y1687 G1688 M1689 | D1670-C1686 VanDerWaalsContact CA-O 3.24Å; D1670-C1686 WeakPolarHBondContact CA-O 3.03Å; D1670-C1686 WeakPolarHBondContact CB-O 3.29Å; D1670-Y1687 WeakPolarHBondContact OD2-CD2 3.47Å; D1670-G1688 PolarHBondContact OD1-N 3.45Å; D1670-G1688 PolarHBondContact OD2-N 3.01Å; D1670-M1689 PolarHBondContact OD1-N 3.18Å | ||
| 1671 | G | 89.4 | Confident | 78.7 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | 171.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1673 Y1685 C1686 | G1671-Y1673 WeakPolarHBondContact O-CD2 3.4Å; G1671-Y1685 CarbonylContact O-C 3.58Å; G1671-Y1685 WeakPolarHBondContact O-CA 3.14Å; G1671-C1686 PolarHBondContact N-O 2.91Å; G1671-C1686 VanDerWaalsContact N-O 3.15Å; G1671-C1686 PolarHBondContact O-N 2.74Å |
| 1672 | E | 90.4 | Very high | 78.8 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.2 | 173 | -63.6 | -68.8 | 160.4 | 0 | 0 | 110.2 | R1683 Y1685 T1699 R1749 | E1672-R1683 HydrophobicContact CB-CG 4.36Å; E1672-R1683 WeakPolarHBondContact OE2-CG 3.22Å; E1672-R1683 IonicContact OE2-NE 2.74Å; E1672-R1683 PolarHBondContact OE2-NE 2.95Å; E1672-Y1685 HydrophobicContact CG-CD2 4.16Å; E1672-Y1685 WeakPolarHBondContact OE1-CD2 3.35Å; E1672-T1699 WeakPolarHBondContact OE1-CB 3.37Å; E1672-T1699 PolarHBondContact OE1-OG1 2.9Å; E1672-R1749 IonicContact OE1-NH2 3.68Å |
| 1673 | Y | 90 | Very high | 79.3 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 15% | 0.145 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.8 | -178.8 | -69.4 | -74.7 | 0 | 0 | 0 | 112.2 | L1661 T1667 A1669 G1671 I1675 I1684 C1686 M1689 | L1661-Y1673 HydrophobicContact CD1-CD1 4.29Å; L1661-Y1673 HydrophobicContact CD1-CG 4.48Å; L1661-Y1673 VanDerWaalsContact CD2-CB 3.49Å; L1661-Y1673 HydrophobicContact CD2-CD1 3.81Å; L1661-Y1673 HydrophobicContact CD2-CD2 3.42Å; L1661-Y1673 VanDerWaalsContact CD2-CD2 3.42Å; L1661-Y1673 HydrophobicContact CD2-CE1 4.33Å; L1661-Y1673 HydrophobicContact CD2-CE2 3.98Å; L1661-Y1673 HydrophobicContact CD2-CG 3.3Å; L1661-Y1673 HydrophobicContact CG-CG 4.48Å; T1667-Y1673 WeakPolarHBondContact CB-OH 3.37Å; T1667-Y1673 HydrophobicContact CG2-CE1 4.34Å; T1667-Y1673 PolarHBondContact OG1-OH 3.24Å; A1669-Y1673 PolarHBondContact O-OH 2.77Å; G1671-Y1673 WeakPolarHBondContact O-CD2 3.4Å; Y1673-I1675 PolarHBondContact O-N 2.83Å; Y1673-I1684 PolarHBondContact N-O 3.11Å; Y1673-I1684 PolarHBondContact O-N 2.88Å; Y1673-C1686 HydrophobicContact CD2-CB 3.95Å; Y1673-C1686 HydrophobicContact CE2-CB 4.33Å; Y1673-M1689 HydrophobicContact CE2-CE 4.38Å |
| 1674 | T | 86 | Confident | 80.2 | Confident | 79 Ų | 79 | 64.3 Ų | 64.3 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 115 | 172.6 | -46.6 | 0 | 0 | 0 | 0 | 109.6 | A1681 L1682 | T1674-A1681 HydrophobicContact CG2-CB 3.69Å; T1674-L1682 CarbonylContact C-O 3.54Å; T1674-L1682 WeakPolarHBondContact CA-O 3.34Å |
| 1675 | I | 85.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.6 | -177 | -60.7 | -169 | 0 | 0 | 0 | 109 | P1655 K1656 Y1673 A1677 L1682 I1684 L1754 | P1655-I1675 WeakPolarHBondContact O-CG2 3.06Å; K1656-I1675 WeakPolarHBondContact O-CG2 3.06Å; Y1673-I1675 PolarHBondContact O-N 2.83Å; I1675-A1677 PolarHBondContact O-N 2.88Å; I1675-L1682 PolarHBondContact N-O 2.72Å; I1675-L1682 PolarHBondContact O-N 2.91Å; I1675-I1684 HydrophobicContact CB-CG1 4.24Å; I1675-I1684 HydrophobicContact CD1-CB 3.89Å; I1675-I1684 HydrophobicContact CD1-CG1 4.33Å; I1675-I1684 HydrophobicContact CD1-CG2 4.18Å; I1675-I1684 HydrophobicContact CG1-CB 4.33Å; I1675-I1684 HydrophobicContact CG1-CG1 4.5Å; I1675-L1754 HydrophobicContact CG2-CD1 3.95Å |
| 1676 | W | 79.5 | Confident | 82.1 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 86.7 | -173.5 | -164.4 | -85.6 | 0 | 0 | 0 | 112.1 | W1654 P1655 G1679 S1680 A1681 | W1654-W1676 HydrophobicContact CB-CB 3.59Å; W1654-W1676 HydrophobicContact CB-CG 4.11Å; W1654-W1676 HydrophobicContact CG-CB 4.41Å; W1654-W1676 HydrophobicContact CG-CE3 4.24Å; P1655-W1676 PolarHBondContact O-N 3.26Å; W1676-G1679 WeakPolarHBondContact CZ2-O 3.42Å; W1676-S1680 WeakPolarHBondContact CA-O 3.3Å; W1676-A1681 HydrophobicContact CE3-CB 3.8Å; W1676-A1681 HydrophobicContact CZ3-CB 3.74Å |
| 1677 | A | 69.1 | Low | 83 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 5% | 0.05 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1675 G1679 S1680 L1682 | I1675-A1677 PolarHBondContact O-N 2.88Å; A1677-G1679 PolarHBondContact O-N 3Å; A1677-S1680 PolarHBondContact N-O 3.27Å; A1677-S1680 VanDerWaalsContact N-O 3.11Å; A1677-S1680 PolarHBondContact O-N 3.47Å; A1677-L1682 HydrophobicContact CB-CD1 4.04Å |
| 1678 | R | 69.4 | Low | 83.8 | Confident | 163 Ų | 163 | 50.6 Ų | 50.6 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.5 | 41.7 | -179.3 | -57.2 | -161.4 | -173.6 | 176.1 | 2.6 | 115.2 | D1755 | R1678-D1755 PolarHBondContact NH2-O 3.08Š|
| 1679 | G | 70.7 | Confident | 84 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 3.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | W1676 A1677 | W1676-G1679 WeakPolarHBondContact CZ2-O 3.42Å; A1677-G1679 PolarHBondContact O-N 3Å |
| 1680 | S | 76.7 | Confident | 83.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.8 | 177.5 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | W1676 A1677 L1682 | W1676-S1680 WeakPolarHBondContact CA-O 3.3Å; A1677-S1680 PolarHBondContact N-O 3.27Å; A1677-S1680 VanDerWaalsContact N-O 3.11Å; A1677-S1680 PolarHBondContact O-N 3.47Å; S1680-L1682 PolarHBondContact O-N 2.87Å |
| 1681 | A | 82.5 | Confident | 83.1 | Confident | 56 Ų | 56 | 54 Ų | 54 | 46% | 0.463 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 104.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T1674 W1676 | T1674-A1681 HydrophobicContact CG2-CB 3.69Å; W1676-A1681 HydrophobicContact CE3-CB 3.8Å; W1676-A1681 HydrophobicContact CZ3-CB 3.74Å |
| 1682 | L | 85.7 | Confident | 82 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 148.7 | -177.8 | -56 | -179.2 | 0 | 0 | 0 | 110.7 | T1674 I1675 A1677 S1680 I1684 F1809 V1860 | T1674-L1682 CarbonylContact C-O 3.54Å; T1674-L1682 WeakPolarHBondContact CA-O 3.34Å; I1675-L1682 PolarHBondContact N-O 2.72Å; I1675-L1682 PolarHBondContact O-N 2.91Å; A1677-L1682 HydrophobicContact CB-CD1 4.04Å; S1680-L1682 PolarHBondContact O-N 2.87Å; L1682-I1684 HydrophobicContact CB-CD1 4.39Å; L1682-I1684 HydrophobicContact CB-CG1 4.43Å; L1682-F1809 HydrophobicContact CD1-CE1 3.88Å; L1682-F1809 HydrophobicContact CD1-CE2 3.82Å; L1682-F1809 HydrophobicContact CD1-CZ 3.36Å; L1682-V1860 HydrophobicContact CD1-CG1 4.29Å; L1682-V1860 HydrophobicContact CD1-CG2 3.8Å; L1682-V1860 HydrophobicContact CD2-CG1 4.1Å |
| 1683 | R | 89.5 | Confident | 81.2 | Confident | 170 Ų | 170 | 64.9 Ų | 64.9 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 108.1 | -179.6 | -179.8 | 175.4 | 172.6 | 174.3 | 1.4 | 109.2 | E1672 | E1672-R1683 HydrophobicContact CB-CG 4.36Å; E1672-R1683 WeakPolarHBondContact OE2-CG 3.22Å; E1672-R1683 IonicContact OE2-NE 2.74Å; E1672-R1683 PolarHBondContact OE2-NE 2.95Å |
| 1684 | I | 92.7 | Very high | 81 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.8 | -173.2 | -56.6 | -61.2 | 0 | 0 | 0 | 109.2 | Y1673 I1675 L1682 C1686 E1696 L1698 L1754 F1809 | Y1673-I1684 PolarHBondContact N-O 3.11Å; Y1673-I1684 PolarHBondContact O-N 2.88Å; I1675-I1684 HydrophobicContact CB-CG1 4.24Å; I1675-I1684 HydrophobicContact CD1-CB 3.89Å; I1675-I1684 HydrophobicContact CD1-CG1 4.33Å; I1675-I1684 HydrophobicContact CD1-CG2 4.18Å; I1675-I1684 HydrophobicContact CG1-CB 4.33Å; I1675-I1684 HydrophobicContact CG1-CG1 4.5Å; L1682-I1684 HydrophobicContact CB-CD1 4.39Å; L1682-I1684 HydrophobicContact CB-CG1 4.43Å; I1684-C1686 PolarHBondContact O-N 2.69Å; I1684-E1696 HydrophobicContact CG2-CB 3.97Å; I1684-E1696 HydrophobicContact CG2-CG 4.14Å; I1684-L1698 HydrophobicContact CD1-CD1 3.92Å; I1684-L1754 HydrophobicContact CD1-CD2 3.91Å; I1684-L1754 HydrophobicContact CG1-CD1 4.2Å; I1684-L1754 HydrophobicContact CG1-CD2 4.29Å; I1684-F1809 HydrophobicContact CD1-CE2 3.93Å; I1684-F1809 HydrophobicContact CD1-CZ 4.29Å |
| 1685 | Y | 93.4 | Very high | 81.1 | Confident | 38 Ų | 38 | 64 Ų | 64 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 111.4 | 172.3 | -171.8 | -93.6 | 0 | 0 | 0 | 109.9 | G1671 E1672 Y1687 Y1697 F1772 | G1671-Y1685 CarbonylContact O-C 3.58Å; G1671-Y1685 WeakPolarHBondContact O-CA 3.14Å; E1672-Y1685 HydrophobicContact CG-CD2 4.16Å; E1672-Y1685 WeakPolarHBondContact OE1-CD2 3.35Å; Y1685-Y1687 HydrophobicContact CE1-CD2 4.31Å; Y1685-Y1697 WeakPolarHBondContact CB-O 3.47Å; Y1685-Y1697 PolarHBondContact N-O 2.58Å; Y1685-Y1697 PolarHBondContact O-N 3.48Å; Y1685-F1772 HydrophobicContact CD1-CZ 4.28Å; Y1685-F1772 HydrophobicContact CE1-CE1 4.4Å; Y1685-F1772 HydrophobicContact CE1-CE2 4.46Å; Y1685-F1772 AromaticContact CE1-CZ 3.79Å; Y1685-F1772 HydrophobicContact CE1-CZ 3.79Å |
| 1686 | C | 93.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 112.1 | 174 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | C1658 D1670 G1671 Y1673 I1684 M1689 | C1658-C1686 HydrophobicContact CB-CB 3.72Å; C1658-C1686 WeakPolarHBondContact CB-SG 3.46Å; C1658-C1686 WeakPolarHBondContact SG-CA 3.46Å; C1658-C1686 WeakPolarHBondContact SG-CB 3.12Å; C1658-C1686 CovalentContact SG-SG 2.03Å; C1658-C1686 PolarHBondContact SG-SG 2.99Å; D1670-C1686 VanDerWaalsContact CA-O 3.24Å; D1670-C1686 WeakPolarHBondContact CA-O 3.03Å; D1670-C1686 WeakPolarHBondContact CB-O 3.29Å; G1671-C1686 PolarHBondContact N-O 2.91Å; G1671-C1686 VanDerWaalsContact N-O 3.15Å; G1671-C1686 PolarHBondContact O-N 2.74Å; Y1673-C1686 HydrophobicContact CD2-CB 3.95Å; Y1673-C1686 HydrophobicContact CE2-CB 4.33Å; I1684-C1686 PolarHBondContact O-N 2.69Å; C1686-M1689 HydrophobicContact CB-CG 3.56Å; C1686-M1689 HydrophobicContact CB-SD 3.51Å; C1686-M1689 VanDerWaalsContact CB-SD 3.51Å |
| 1687 | Y | 88.5 | Confident | 81.9 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 138.2 | 176.4 | 179.7 | -118.3 | 0 | 0 | 0 | 111 | D1670 Y1685 P1694 K1695 Y1697 H1771 F1772 | D1670-Y1687 WeakPolarHBondContact OD2-CD2 3.47Å; Y1685-Y1687 HydrophobicContact CE1-CD2 4.31Å; Y1687-P1694 CarbonylContact O-C 3.47Å; Y1687-P1694 VanDerWaalsContact O-CA 3.29Å; Y1687-P1694 WeakPolarHBondContact O-CA 3.27Å; Y1687-K1695 PolarHBondContact N-O 3.36Å; Y1687-K1695 PolarHBondContact O-N 3.04Å; Y1687-Y1697 AromaticContact CD1-CE2 3.78Å; Y1687-Y1697 HydrophobicContact CD1-CE2 3.78Å; Y1687-Y1697 HydrophobicContact CG-CD2 4.48Å; Y1687-Y1697 HydrophobicContact CG-CE2 4.09Å; Y1687-H1771 AromaticContact CE1-CD2 3.96Å; Y1687-H1771 AromaticContact CZ-CD2 3.8Å; Y1687-H1771 AromaticContact CZ-NE2 3.78Å; Y1687-H1771 PolarHBondContact OH-NE2 3.41Å; Y1687-H1771 VanDerWaalsContact OH-NE2 3.08Å; Y1687-F1772 HydrophobicContact CD2-CE2 4.42Å; Y1687-F1772 AromaticContact CD2-CZ 3.81Å; Y1687-F1772 HydrophobicContact CD2-CZ 3.81Å; Y1687-F1772 HydrophobicContact CE2-CZ 4.27Å; Y1687-F1772 HydrophobicContact CG-CE2 4.17Å; Y1687-F1772 HydrophobicContact CG-CZ 4.02Å |
| 1688 | G | 85.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | trans | 71.9 | 37 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1670 K1690 N1691 | D1670-G1688 PolarHBondContact OD1-N 3.45Å; D1670-G1688 PolarHBondContact OD2-N 3.01Å; G1688-K1690 PolarHBondContact O-N 2.98Å; G1688-K1690 VanDerWaalsContact O-N 3.07Å; G1688-N1691 VanDerWaalsContact O-CB 3.28Å; G1688-N1691 WeakPolarHBondContact O-CB 3.33Å; G1688-N1691 PolarHBondContact O-N 3.07Å | ||
| 1689 | M | 81.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.2 | 176.1 | -72.9 | -67.8 | -78.6 | 0 | 0 | 113.7 | C1658 L1661 R1662 T1667 A1669 D1670 Y1673 C1686 P1694 | C1658-M1689 HydrophobicContact CB-SD 4.14Å; L1661-M1689 HydrophobicContact CD2-CE 3.76Å; L1661-M1689 HydrophobicContact CG-CE 4.11Å; R1662-M1689 HydrophobicContact CB-CE 3.83Å; R1662-M1689 HydrophobicContact CB-SD 4.37Å; R1662-M1689 WeakPolarHBondContact CD-O 3.22Å; R1662-M1689 HydrophobicContact CG-CE 4.07Å; T1667-M1689 WeakPolarHBondContact OG1-CE 3.04Å; A1669-M1689 WeakPolarHBondContact O-CB 3.37Å; A1669-M1689 WeakPolarHBondContact O-CG 3.3Å; D1670-M1689 PolarHBondContact OD1-N 3.18Å; Y1673-M1689 HydrophobicContact CE2-CE 4.38Å; C1686-M1689 HydrophobicContact CB-CG 3.56Å; C1686-M1689 HydrophobicContact CB-SD 3.51Å; C1686-M1689 VanDerWaalsContact CB-SD 3.51Å; M1689-P1694 HydrophobicContact CG-CB 4.25Å; M1689-P1694 HydrophobicContact SD-CB 3.53Å; M1689-P1694 VanDerWaalsContact SD-CB 3.53Å; M1689-P1694 HydrophobicContact SD-CG 3.67Å |
| 1690 | K | 73.5 | Confident | 84.8 | Confident | 152 Ų | 152 | 52.3 Ų | 52.3 | 66% | 0.661 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -14.8 | 170.1 | -61.4 | -179 | -178.5 | 170.1 | 0 | 113.5 | S1668 G1688 | S1668-K1690 WeakPolarHBondContact O-CE 3.44Å; S1668-K1690 WeakPolarHBondContact O-CG 3Å; G1688-K1690 PolarHBondContact O-N 2.98Å; G1688-K1690 VanDerWaalsContact O-N 3.07Å |
| 1691 | N | 71.4 | Confident | 84.9 | Confident | 99 Ų | 99 | 55.7 Ų | 55.7 | 53% | 0.529 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -90.2 | 168.4 | 179.7 | -55.5 | -31.3 | 0 | 0 | 0 | 110.5 | G1688 Y1693 | G1688-N1691 VanDerWaalsContact O-CB 3.28Å; G1688-N1691 WeakPolarHBondContact O-CB 3.33Å; G1688-N1691 PolarHBondContact O-N 3.07Å; N1691-Y1693 VanDerWaalsContact C-N 3.32Å; N1691-Y1693 PolarHBondContact O-N 3.1Å |
| 1692 | L | 67.5 | Low | 84.1 | Confident | 123 Ų | 123 | 58.7 Ų | 58.7 | 64% | 0.644 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -63.1 | -39.6 | 175 | -80.6 | 116.6 | 0 | 0 | 0 | 112.4 | Y1659 | Y1659-L1692 WeakPolarHBondContact CD2-O 3.37Å; Y1659-L1692 WeakPolarHBondContact CE2-O 3.41Å |
| 1693 | Y | 73.6 | Confident | 83.3 | Confident | 175 Ų | 175 | 62 Ų | 62 | 69% | 0.686 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -120.3 | 96.1 | 179.8 | -53.4 | -77.7 | 0 | 0 | 0 | 108.6 | Y1659 N1691 | Y1659-Y1693 HydrophobicContact CD2-CD1 4.34Å; Y1659-Y1693 HydrophobicContact CE2-CD1 4.43Å; Y1659-Y1693 HydrophobicContact CE2-CE1 4.41Å; N1691-Y1693 VanDerWaalsContact C-N 3.32Å; N1691-Y1693 PolarHBondContact O-N 3.1Å |
| 1694 | P | 86.2 | Confident | 82.1 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | trans | -63.9 | 157.4 | 165.2 | 28.3 | -34.2 | 0 | 0 | 0 | 110.3 | C1658 Y1687 M1689 | C1658-P1694 HydrophobicContact CB-CB 3.86Å; C1658-P1694 HydrophobicContact CB-CG 3.58Å; Y1687-P1694 CarbonylContact O-C 3.47Å; Y1687-P1694 VanDerWaalsContact O-CA 3.29Å; Y1687-P1694 WeakPolarHBondContact O-CA 3.27Å; M1689-P1694 HydrophobicContact CG-CB 4.25Å; M1689-P1694 HydrophobicContact SD-CB 3.53Å; M1689-P1694 VanDerWaalsContact SD-CB 3.53Å; M1689-P1694 HydrophobicContact SD-CG 3.67Å | ||
| 1695 | K | 86.2 | Confident | 81.2 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138.2 | 174 | -79.5 | -177.2 | 172.1 | -174.9 | 0 | 111.2 | Y1687 Y1697 D1769 | Y1687-K1695 PolarHBondContact N-O 3.36Å; Y1687-K1695 PolarHBondContact O-N 3.04Å; K1695-Y1697 HydrophobicContact CB-CD2 4.07Å; K1695-Y1697 HydrophobicContact CB-CE2 3.54Å; K1695-Y1697 HydrophobicContact CD-CE2 3.93Å; K1695-Y1697 HydrophobicContact CG-CE2 4.44Å; K1695-D1769 IonicContact NZ-OD1 2.67Å; K1695-D1769 IonicContact NZ-OD2 3.18Å; K1695-D1769 PolarHBondContact NZ-OD2 3.02Å |
| 1696 | E | 90.8 | Very high | 80.8 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.8 | 172.2 | -67.8 | 68.6 | -161.6 | 0 | 0 | 110.9 | C1658 I1684 I1752 L1754 | C1658-E1696 WeakPolarHBondContact CA-OE1 3.21Å; C1658-E1696 HydrophobicContact CB-CG 4.39Å; C1658-E1696 WeakPolarHBondContact CB-OE1 3.48Å; C1658-E1696 PolarHBondContact N-OE1 3.02Å; I1684-E1696 HydrophobicContact CG2-CB 3.97Å; I1684-E1696 HydrophobicContact CG2-CG 4.14Å; E1696-I1752 HydrophobicContact CB-CG2 4.11Å; E1696-I1752 VanDerWaalsContact CB-O 3.3Å; E1696-I1752 WeakPolarHBondContact CB-O 3.43Å; E1696-I1752 PolarHBondContact O-N 2.93Å; E1696-I1752 VanDerWaalsContact O-N 3.08Å; E1696-L1754 HydrophobicContact CB-CD1 4.42Å; E1696-L1754 HydrophobicContact CB-CG 4.29Å; E1696-L1754 HydrophobicContact CG-CD1 3.6Å; E1696-L1754 HydrophobicContact CG-CG 3.87Å |
| 1697 | Y | 92.2 | Very high | 80.6 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.8 | 169.9 | -71.9 | -98.9 | 0 | 0 | 0 | 110.5 | Y1685 Y1687 K1695 R1749 I1750 N1751 D1769 F1772 | Y1685-Y1697 WeakPolarHBondContact CB-O 3.47Å; Y1685-Y1697 PolarHBondContact N-O 2.58Å; Y1685-Y1697 PolarHBondContact O-N 3.48Å; Y1687-Y1697 AromaticContact CD1-CE2 3.78Å; Y1687-Y1697 HydrophobicContact CD1-CE2 3.78Å; Y1687-Y1697 HydrophobicContact CG-CD2 4.48Å; Y1687-Y1697 HydrophobicContact CG-CE2 4.09Å; K1695-Y1697 HydrophobicContact CB-CD2 4.07Å; K1695-Y1697 HydrophobicContact CB-CE2 3.54Å; K1695-Y1697 HydrophobicContact CD-CE2 3.93Å; K1695-Y1697 HydrophobicContact CG-CE2 4.44Å; Y1697-R1749 HydrophobicContact CD1-CB 4.23Å; Y1697-I1750 CarbonylContact C-O 3.57Å; Y1697-I1750 VanDerWaalsContact CA-O 3.31Å; Y1697-I1750 WeakPolarHBondContact CA-O 3.19Å; Y1697-N1751 HydrophobicContact CD1-CB 4.04Å; Y1697-N1751 HydrophobicContact CE1-CB 3.72Å; Y1697-D1769 VanDerWaalsContact OH-CG 3.3Å; Y1697-D1769 PolarHBondContact OH-OD1 3.48Å; Y1697-D1769 PolarHBondContact OH-OD2 2.9Å; Y1697-F1772 AromaticContact CD1-CD2 3.58Å; Y1697-F1772 HydrophobicContact CD1-CD2 3.58Å; Y1697-F1772 AromaticContact CD1-CE2 3.83Å; Y1697-F1772 HydrophobicContact CD1-CE2 3.83Å; Y1697-F1772 AromaticContact CD2-CE2 3.94Å; Y1697-F1772 HydrophobicContact CD2-CE2 3.94Å; Y1697-F1772 AromaticContact CE1-CD2 3.7Å; Y1697-F1772 HydrophobicContact CE1-CD2 3.7Å; Y1697-F1772 AromaticContact CE1-CE2 3.91Å; Y1697-F1772 HydrophobicContact CE1-CE2 3.91Å; Y1697-F1772 AromaticContact CE2-CE2 4Å; Y1697-F1772 HydrophobicContact CE2-CE2 4Å; Y1697-F1772 HydrophobicContact CG-CD2 4.03Å; Y1697-F1772 AromaticContact CG-CE2 3.86Å; Y1697-F1772 HydrophobicContact CG-CE2 3.86Å; Y1697-F1772 AromaticContact CZ-CE2 4Å |
| 1698 | L | 89.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117.8 | 170.1 | -163.4 | 62.7 | 0 | 0 | 0 | 109.2 | I1684 R1749 I1750 I1752 L1804 T1807 F1809 L1858 | I1684-L1698 HydrophobicContact CD1-CD1 3.92Å; L1698-R1749 VanDerWaalsContact O-CA 3.23Å; L1698-R1749 WeakPolarHBondContact O-CA 3.38Å; L1698-R1749 WeakPolarHBondContact O-CB 3.35Å; L1698-I1750 HydrophobicContact CB-CG1 4.02Å; L1698-I1750 PolarHBondContact N-O 2.03Å; L1698-I1750 PolarHBondContact O-N 2.89Å; L1698-I1752 HydrophobicContact CB-CG2 4.23Å; L1698-L1804 HydrophobicContact CD2-CD2 4.33Å; L1698-T1807 HydrophobicContact CD2-CG2 4.36Å; L1698-T1807 HydrophobicContact CG-CG2 4.22Å; L1698-F1809 HydrophobicContact CD1-CD2 3.57Å; L1698-F1809 HydrophobicContact CD1-CE2 3.52Å; L1698-F1809 HydrophobicContact CD2-CB 4.27Å; L1698-F1809 HydrophobicContact CD2-CD2 3.6Å; L1698-F1809 HydrophobicContact CD2-CE2 4.2Å; L1698-F1809 HydrophobicContact CD2-CG 4.16Å; L1698-F1809 HydrophobicContact CG-CD2 4.25Å; L1698-L1858 HydrophobicContact CD2-CD1 4.34Å |
| 1699 | T | 90.4 | Very high | 81.2 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.5 | 174.5 | -65.3 | 0 | 0 | 0 | 0 | 109.9 | E1672 R1749 T1807 | E1672-T1699 WeakPolarHBondContact OE1-CB 3.37Å; E1672-T1699 PolarHBondContact OE1-OG1 2.9Å; T1699-R1749 PolarHBondContact OG1-NE 3.41Å; T1699-T1807 VanDerWaalsContact O-CG2 3.29Å; T1699-T1807 WeakPolarHBondContact O-CG2 3.44Å |
| 1700 | L | 88.7 | Confident | 81.7 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 158.9 | -175.9 | -61 | -178.3 | 0 | 0 | 0 | 111.4 | T1702 N1707 F1747 H1748 I1750 F1783 L1804 | L1700-T1702 PolarHBondContact O-N 2.88Å; L1700-N1707 HydrophobicContact CD1-CB 4.16Å; L1700-F1747 HydrophobicContact CD1-CB 4.12Å; L1700-H1748 PolarHBondContact N-O 2.91Å; L1700-I1750 HydrophobicContact CD1-CB 4.49Å; L1700-I1750 HydrophobicContact CD1-CD1 4.22Å; L1700-I1750 HydrophobicContact CD1-CG1 4.13Å; L1700-I1750 HydrophobicContact CD1-CG2 3.77Å; L1700-I1750 HydrophobicContact CD2-CD1 4.03Å; L1700-I1750 HydrophobicContact CD2-CG1 4.15Å; L1700-I1750 HydrophobicContact CG-CG1 4.29Å; L1700-F1783 HydrophobicContact CD1-CE2 4.03Å; L1700-F1783 HydrophobicContact CD1-CZ 3.92Å; L1700-L1804 HydrophobicContact CD2-CD2 3.56Å |
| 1701 | Q | 78.8 | Confident | 82.6 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 127.2 | 172.3 | -65.9 | -167.7 | -6.6 | 0 | 0 | 110.6 | D1703 S1706 N1707 N1803 R1805 | Q1701-D1703 VanDerWaalsContact C-N 3.34Å; Q1701-D1703 PolarHBondContact O-N 2.89Å; Q1701-D1703 VanDerWaalsContact O-N 3.12Å; Q1701-S1706 PolarHBondContact O-OG 2.88Å; Q1701-N1707 PolarHBondContact O-ND2 3.23Å; Q1701-N1803 PolarHBondContact OE1-ND2 2.68Å; Q1701-N1803 VanDerWaalsContact OE1-ND2 3.14Å; Q1701-R1805 PolarHBondContact NE2-O 3.24Å |
| 1702 | T | 65.8 | Low | 83.6 | Confident | 118 Ų | 118 | 51.3 Ų | 51.3 | 72% | 0.724 | 26% | 0.262 | S | S | * | . | trans | -84 | 73.1 | 176.8 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | L1700 | L1700-T1702 PolarHBondContact O-N 2.88Š| ||
| 1703 | D | 69.3 | Low | 84.5 | Confident | 79 Ų | 79 | 45.8 Ų | 45.8 | 42% | 0.422 | 23% | 0.234 | S | C | . | . | trans | -110.3 | 130.8 | 170.4 | 172.2 | -63.3 | 0 | 0 | 0 | 109.3 | Q1701 L1705 S1706 | Q1701-D1703 VanDerWaalsContact C-N 3.34Å; Q1701-D1703 PolarHBondContact O-N 2.89Å; Q1701-D1703 VanDerWaalsContact O-N 3.12Å; D1703-L1705 PolarHBondContact O-N 3.29Å; D1703-L1705 VanDerWaalsContact O-N 3.13Å; D1703-L1705 WeakPolarHBondContact OD1-CA 3.42Å; D1703-L1705 WeakPolarHBondContact OD1-CB 3.06Å; D1703-L1705 PolarHBondContact OD1-N 2.68Å; D1703-S1706 WeakPolarHBondContact CB-OG 3.08Å; D1703-S1706 PolarHBondContact O-N 3.12Å; D1703-S1706 PolarHBondContact O-OG 2.72Å; D1703-S1706 PolarHBondContact OD1-N 2.9Å | ||
| 1704 | P | 64.1 | Low | 85.1 | Confident | 91 Ų | 91 | 39.6 Ų | 39.6 | 59% | 0.591 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -3.3 | -172.8 | 30.5 | -36.7 | 0 | 0 | 0 | 114.8 | R1746 | P1704-R1746 PolarHBondContact O-NH1 3.26Å; P1704-R1746 PolarHBondContact O-NH2 2.95Å |
| 1705 | L | 73.7 | Confident | 85.1 | Confident | 140 Ų | 140 | 42.7 Ų | 42.7 | 73% | 0.733 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 8.8 | 172.1 | -58.3 | 176.3 | 0 | 0 | 0 | 111.9 | D1703 F1708 | D1703-L1705 PolarHBondContact O-N 3.29Å; D1703-L1705 VanDerWaalsContact O-N 3.13Å; D1703-L1705 WeakPolarHBondContact OD1-CA 3.42Å; D1703-L1705 WeakPolarHBondContact OD1-CB 3.06Å; D1703-L1705 PolarHBondContact OD1-N 2.68Å; L1705-F1708 WeakPolarHBondContact O-CE1 3.46Å |
| 1706 | S | 84.8 | Confident | 85.1 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -119.9 | 170.4 | -178.6 | 81.8 | 0 | 0 | 0 | 0 | 113.1 | Q1701 D1703 F1708 | Q1701-S1706 PolarHBondContact O-OG 2.88Å; D1703-S1706 WeakPolarHBondContact CB-OG 3.08Å; D1703-S1706 PolarHBondContact O-N 3.12Å; D1703-S1706 PolarHBondContact O-OG 2.72Å; D1703-S1706 PolarHBondContact OD1-N 2.9Å; S1706-F1708 PolarHBondContact O-N 3.08Å |
| 1707 | N | 90.4 | Very high | 84.6 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 51.4 | 50.7 | 164.8 | -68.4 | -48 | 0 | 0 | 0 | 113.9 | L1700 Q1701 R1746 F1747 S1801 N1803 | L1700-N1707 HydrophobicContact CD1-CB 4.16Å; Q1701-N1707 PolarHBondContact O-ND2 3.23Å; N1707-R1746 CarbonylContact O-C 3.59Å; N1707-R1746 WeakPolarHBondContact O-CA 3.48Å; N1707-F1747 WeakPolarHBondContact CB-O 3.28Å; N1707-F1747 PolarHBondContact O-N 2.97Å; N1707-S1801 CarbonylContact C-O 3.46Å; N1707-S1801 WeakPolarHBondContact CA-O 3.15Å; N1707-S1801 PolarHBondContact N-O 3.26Å; N1707-N1803 PolarHBondContact ND2-O 3.21Å; N1707-N1803 VanDerWaalsContact ND2-O 3.15Å; N1707-N1803 PolarHBondContact OD1-N 2.02Å; N1707-N1803 PolarHBondContact OD1-O 3.19Å |
| 1708 | F | 92.7 | Very high | 84 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 163.3 | -176.6 | 75.7 | -96.6 | 0 | 0 | 0 | 112.9 | L1705 S1706 L1744 T1745 R1746 R1799 F1800 S1801 | L1705-F1708 WeakPolarHBondContact O-CE1 3.46Å; S1706-F1708 PolarHBondContact O-N 3.08Å; F1708-L1744 HydrophobicContact CB-CD1 4.39Å; F1708-L1744 HydrophobicContact CD2-CD1 3.81Å; F1708-L1744 HydrophobicContact CG-CD1 4.41Å; F1708-T1745 CarbonylContact C-O 3.51Å; F1708-T1745 WeakPolarHBondContact CA-O 3.2Å; F1708-R1746 HydrophobicContact CB-CG 4.07Å; F1708-R1799 HydrophobicContact CE2-CB 3.8Å; F1708-R1799 HydrophobicContact CZ-CB 4.23Å; F1708-F1800 CarbonylContact O-C 3.53Å; F1708-F1800 VanDerWaalsContact O-CA 3.26Å; F1708-F1800 WeakPolarHBondContact O-CA 3.42Å; F1708-F1800 WeakPolarHBondContact O-CB 3.42Å; F1708-S1801 VanDerWaalsContact CE1-CB 3.42Å; F1708-S1801 PolarHBondContact N-O 2.89Å; F1708-S1801 PolarHBondContact O-N 2.98Å |
| 1709 | A | 93.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 131.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1744 T1745 F1747 V1781 P1782 T1785 | A1709-L1744 WeakPolarHBondContact O-CA 3.29Å; A1709-T1745 PolarHBondContact N-O 2.02Å; A1709-T1745 PolarHBondContact O-N 3.48Å; A1709-F1747 HydrophobicContact CB-CE2 4.16Å; A1709-V1781 HydrophobicContact CB-CB 3.93Å; A1709-V1781 HydrophobicContact CB-CG1 3.75Å; A1709-P1782 VanDerWaalsContact CB-O 3.24Å; A1709-P1782 WeakPolarHBondContact CB-O 3.32Å; A1709-T1785 WeakPolarHBondContact CB-O 3.48Å |
| 1710 | E | 92.7 | Very high | 82.8 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.7 | -172.8 | -170.9 | 175.9 | -148.3 | 0 | 0 | 111.9 | R1728 G1743 L1744 A1786 G1787 R1799 | E1710-R1728 VanDerWaalsContact CD-NH1 3.26Å; E1710-R1728 IonicContact OE1-CZ 3.77Å; E1710-R1728 IonicContact OE1-NH1 2.7Å; E1710-R1728 PolarHBondContact OE1-NH1 3Å; E1710-R1728 IonicContact OE1-NH2 3.84Å; E1710-R1728 IonicContact OE2-NH1 2.7Å; E1710-R1728 PolarHBondContact OE2-NH1 3.01Å; E1710-R1728 VanDerWaalsContact OE2-NH1 3.09Å; E1710-G1743 CarbonylContact C-O 3.56Å; E1710-G1743 VanDerWaalsContact CA-O 3.29Å; E1710-G1743 WeakPolarHBondContact CA-O 3.09Å; E1710-L1744 HydrophobicContact CB-CD1 3.88Å; E1710-L1744 HydrophobicContact CG-CD1 4.17Å; E1710-A1786 WeakPolarHBondContact O-CA 3.38Å; E1710-A1786 WeakPolarHBondContact O-CB 3.4Å; E1710-G1787 PolarHBondContact O-N 2.79Å; E1710-R1799 WeakPolarHBondContact CA-O 3.37Å; E1710-R1799 HydrophobicContact CB-CB 4.47Å; E1710-R1799 VanDerWaalsContact CB-O 3.31Å; E1710-R1799 WeakPolarHBondContact CB-O 3.28Å; E1710-R1799 PolarHBondContact N-O 3.22Å; E1710-R1799 PolarHBondContact O-N 3.3Å |
| 1711 | F | 92.8 | Very high | 82.4 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 112.1 | 160.7 | -163.9 | -74.9 | 0 | 0 | 0 | 108.8 | P1740 P1742 G1743 V1781 G1787 N1847 | F1711-P1740 HydrophobicContact CD1-CB 4.43Å; F1711-P1740 HydrophobicContact CD2-CB 4.47Å; F1711-P1740 HydrophobicContact CE1-CB 3.93Å; F1711-P1740 HydrophobicContact CE1-CG 4.18Å; F1711-P1740 HydrophobicContact CE2-CB 3.97Å; F1711-P1740 HydrophobicContact CE2-CG 3.9Å; F1711-P1740 HydrophobicContact CZ-CB 3.7Å; F1711-P1740 HydrophobicContact CZ-CG 3.53Å; F1711-P1742 VanDerWaalsContact O-CA 3.29Å; F1711-P1742 WeakPolarHBondContact O-CA 3.42Å; F1711-P1742 VanDerWaalsContact O-CB 3.29Å; F1711-P1742 WeakPolarHBondContact O-CB 3.32Å; F1711-G1743 PolarHBondContact N-O 3.08Å; F1711-G1743 PolarHBondContact O-N 3.36Å; F1711-V1781 HydrophobicContact CB-CG2 4.22Å; F1711-G1787 CarbonylContact C-O 3.55Å; F1711-G1787 WeakPolarHBondContact CA-O 3.49Å; F1711-N1847 HydrophobicContact CE2-CB 4.16Å |
| 1712 | Y | 92 | Very high | 82.5 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.8 | -171.5 | -177.5 | -105.6 | 0 | 0 | 0 | 112 | K1714 R1728 D1730 G1787 D1788 Y1790 Q1797 | Y1712-K1714 HydrophobicContact CD1-CB 4.41Å; Y1712-K1714 HydrophobicContact CE1-CB 3.65Å; Y1712-K1714 HydrophobicContact CE1-CG 4.08Å; Y1712-K1714 HydrophobicContact CE2-CG 4.47Å; Y1712-R1728 HydrophobicContact CE2-CG 4.4Å; Y1712-D1730 WeakPolarHBondContact CE2-OD1 3.06Å; Y1712-D1730 VanDerWaalsContact CZ-OD1 3.29Å; Y1712-D1730 PolarHBondContact OH-OD1 3.07Å; Y1712-G1787 PolarHBondContact N-O 3.13Å; Y1712-D1788 HydrophobicContact CD1-CB 4.48Å; Y1712-Y1790 HydrophobicContact CD1-CD2 4.31Å; Y1712-Y1790 AromaticContact CE1-CD2 3.77Å; Y1712-Y1790 HydrophobicContact CE1-CD2 3.77Å; Y1712-Y1790 HydrophobicContact CE1-CE2 4.13Å; Y1712-Q1797 HydrophobicContact CD1-CB 3.47Å; Y1712-Q1797 VanDerWaalsContact CD1-CB 3.47Å; Y1712-Q1797 HydrophobicContact CD1-CG 4.15Å; Y1712-Q1797 HydrophobicContact CE1-CB 3.87Å; Y1712-Q1797 HydrophobicContact CE1-CG 4.11Å; Y1712-Q1797 HydrophobicContact CG-CB 3.88Å |
| 1713 | G | 86.1 | Confident | 83 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | trans | -90.4 | -8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | E1737 P1742 | G1713-E1737 PolarHBondContact O-N 2.83Å; G1713-P1742 VanDerWaalsContact CA-CB 3.45Å | ||
| 1714 | K | 86.7 | Confident | 83.4 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 143 | -177.1 | -51.1 | -162.5 | -176.3 | -123.9 | 0 | 111.4 | Y1712 D1730 C1734 E1736 Y1790 | Y1712-K1714 HydrophobicContact CD1-CB 4.41Å; Y1712-K1714 HydrophobicContact CE1-CB 3.65Å; Y1712-K1714 HydrophobicContact CE1-CG 4.08Å; Y1712-K1714 HydrophobicContact CE2-CG 4.47Å; K1714-D1730 PolarHBondContact NZ-O 3.43Å; K1714-D1730 VanDerWaalsContact NZ-O 3.16Å; K1714-C1734 HydrophobicContact CB-CB 4.11Å; K1714-C1734 HydrophobicContact CD-CB 4.48Å; K1714-E1736 WeakPolarHBondContact CE-OE1 3.24Å; K1714-E1736 IonicContact NZ-OE1 2.69Å; K1714-E1736 PolarHBondContact NZ-OE1 2.98Å; K1714-Y1790 WeakPolarHBondContact O-CA 3.29Å; K1714-Y1790 WeakPolarHBondContact O-CD2 3.27Å |
| 1715 | R | 86.2 | Confident | 83.7 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.3 | 168.1 | 176.7 | 177.2 | 69.3 | -150.4 | -18.4 | 110.5 | C1734 T1735 E1737 C1789 | R1715-C1734 CarbonylContact O-C 3.49Å; R1715-C1734 WeakPolarHBondContact O-CA 3.37Å; R1715-C1734 VanDerWaalsContact O-CB 3.32Å; R1715-C1734 WeakPolarHBondContact O-CB 3.42Å; R1715-T1735 PolarHBondContact N-O 3.17Å; R1715-T1735 PolarHBondContact O-N 3.45Å; R1715-E1737 HydrophobicContact CB-CB 4.36Å; R1715-E1737 IonicContact CZ-OE2 3.17Å; R1715-E1737 IonicContact NE-OE2 3.23Å; R1715-E1737 IonicContact NH1-OE2 2.74Å; R1715-E1737 PolarHBondContact NH1-OE2 2.95Å; R1715-E1737 IonicContact NH2-OE2 2.71Å; R1715-E1737 PolarHBondContact NH2-OE2 3.21Å; R1715-C1789 VanDerWaalsContact CB-O 3.28Å; R1715-C1789 WeakPolarHBondContact CB-O 3.32Å; R1715-C1789 WeakPolarHBondContact CG-O 3.29Å |
| 1716 | L | 85.4 | Confident | 83.5 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 138.8 | 173.2 | -70.4 | 164.8 | 0 | 0 | 0 | 111.9 | N1718 S1719 S1721 P1723 C1732 C1734 Y1790 | L1716-N1718 PolarHBondContact O-N 2.8Å; L1716-S1719 PolarHBondContact O-N 2.88Å; L1716-S1721 VanDerWaalsContact CD1-O 3.31Å; L1716-S1721 WeakPolarHBondContact CD1-O 3.03Å; L1716-P1723 HydrophobicContact CD1-CG 4.25Å; L1716-P1723 HydrophobicContact CD2-CG 3.86Å; L1716-C1732 HydrophobicContact CD2-CB 4.24Å; L1716-C1734 VanDerWaalsContact CD2-SG 3.54Å; L1716-Y1790 HydrophobicContact CD1-CD1 4.03Å; L1716-Y1790 HydrophobicContact CD1-CE1 3.65Å; L1716-Y1790 HydrophobicContact CD1-CE2 4.33Å; L1716-Y1790 HydrophobicContact CD2-CE2 4.01Å; L1716-Y1790 HydrophobicContact CG-CD1 4.41Å; L1716-Y1790 HydrophobicContact CG-CD2 4.2Å; L1716-Y1790 HydrophobicContact CG-CE1 4.05Å; L1716-Y1790 HydrophobicContact CG-CE2 3.8Å; L1716-Y1790 PolarHBondContact N-O 3.28Å; L1716-Y1790 VanDerWaalsContact N-O 3.09Å |
| 1717 | L | 80.8 | Confident | 83.2 | Confident | 127 Ų | 127 | 50 Ų | 50 | 67% | 0.665 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -58.9 | -37.1 | 170.4 | -73.4 | 169.1 | 0 | 0 | 0 | 111.9 | A1733 T1735 | L1717-A1733 WeakPolarHBondContact CB-O 3.48Å; L1717-A1733 HydrophobicContact CD1-CB 4.31Å; L1717-A1733 WeakPolarHBondContact CG-O 3.47Å; L1717-A1733 PolarHBondContact N-O 2.87Å; L1717-T1735 HydrophobicContact CD2-CG2 3.77Å |
| 1718 | N | 80.4 | Confident | 82.7 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -99.4 | 84.6 | 164.7 | -177.9 | -4.3 | 0 | 0 | 0 | 109.8 | L1716 V1720 S1721 | L1716-N1718 PolarHBondContact O-N 2.8Å; N1718-V1720 PolarHBondContact O-N 2.68Å; N1718-V1720 PolarHBondContact OD1-N 3.12Å; N1718-S1721 PolarHBondContact O-N 3.37Å; N1718-S1721 PolarHBondContact O-OG 2.79Å |
| 1719 | S | 76 | Confident | 82.1 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 6.8 | -179 | 70.7 | 0 | 0 | 0 | 0 | 114.8 | L1716 S1791 A1792 | L1716-S1719 PolarHBondContact O-N 2.88Å; S1719-S1791 PolarHBondContact O-OG 2.87Å; S1719-A1792 VanDerWaalsContact O-CB 3.28Å; S1719-A1792 WeakPolarHBondContact O-CB 3.34Å; S1719-A1792 PolarHBondContact O-N 3.46Å |
| 1720 | V | 79.3 | Confident | 81.3 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 62% | 0.624 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -2 | 172 | -149.3 | 0 | 0 | 0 | 0 | 111.5 | N1718 | N1718-V1720 PolarHBondContact O-N 2.68Å; N1718-V1720 PolarHBondContact OD1-N 3.12Å |
| 1721 | S | 80.2 | Confident | 80.6 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | trans | -101.6 | 161.1 | -179.8 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | L1716 N1718 S1791 | L1716-S1721 VanDerWaalsContact CD1-O 3.31Å; L1716-S1721 WeakPolarHBondContact CD1-O 3.03Å; N1718-S1721 PolarHBondContact O-N 3.37Å; N1718-S1721 PolarHBondContact O-OG 2.79Å; S1721-S1791 PolarHBondContact O-OG 2.62Å | ||
| 1722 | C | 79.9 | Confident | 79.9 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 31% | 0.311 | 33% | 0.334 | S | S | . | . | trans | -134.6 | 78.6 | 170.2 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | V1793 C1795 | C1722-V1793 HydrophobicContact CB-CG2 3.86Å; C1722-C1795 WeakPolarHBondContact CA-SG 3.17Å; C1722-C1795 HydrophobicContact CB-CB 3.66Å; C1722-C1795 WeakPolarHBondContact CB-SG 3.46Å; C1722-C1795 WeakPolarHBondContact SG-CB 3.02Å; C1722-C1795 CovalentContact SG-SG 2.03Å; C1722-C1795 PolarHBondContact SG-SG 3.48Å | ||
| 1723 | P | 77 | Confident | 79.4 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -68.7 | 161.3 | 177.9 | 30.6 | -34.6 | 0 | 0 | 0 | 111.4 | L1716 D1725 | L1716-P1723 HydrophobicContact CD1-CG 4.25Å; L1716-P1723 HydrophobicContact CD2-CG 3.86Å; P1723-D1725 PolarHBondContact O-N 2.8Å |
| 1724 | Y | 77.1 | Confident | 79.3 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | 62.4 | 30.2 | 175.7 | -39 | -70.4 | 0 | 0 | 0 | 115.2 | A1726 K1727 N1729 C1732 | Y1724-A1726 VanDerWaalsContact C-N 3.3Å; Y1724-A1726 PolarHBondContact O-N 3Å; Y1724-K1727 WeakPolarHBondContact O-CB 3.42Å; Y1724-K1727 WeakPolarHBondContact O-CD 3.32Å; Y1724-K1727 WeakPolarHBondContact O-CG 3.25Å; Y1724-K1727 PolarHBondContact O-N 2.68Å; Y1724-N1729 HydrophobicContact CD2-CB 3.68Å; Y1724-N1729 WeakPolarHBondContact CE1-ND2 3.29Å; Y1724-N1729 HydrophobicContact CE2-CB 3.87Å; Y1724-N1729 VanDerWaalsContact CE2-ND2 3.35Å; Y1724-N1729 WeakPolarHBondContact CE2-ND2 3.17Å; Y1724-N1729 HydrophobicContact CG-CB 4.19Å; Y1724-C1732 HydrophobicContact CE2-CB 4.37Å |
| 1725 | D | 70.2 | Confident | 79.1 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | 54.7 | 40.7 | 179.6 | -41.3 | -48.5 | 0 | 0 | 0 | 113.8 | Y1284 P1723 K1727 | Y1284-D1725 PolarHBondContact OH-OD1 3.3Å; P1723-D1725 PolarHBondContact O-N 2.8Å; D1725-K1727 HydrophobicContact CB-CD 4.47Å; D1725-K1727 PolarHBondContact O-N 2.88Å; D1725-K1727 IonicContact OD2-NZ 3.83Å; D1725-K1727 PolarHBondContact OD2-NZ 3.34Å |
| 1726 | A | 70.2 | Confident | 78.9 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 28% | 0.281 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | 58 | 11.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1724 Q1797 | Y1724-A1726 VanDerWaalsContact C-N 3.3Å; Y1724-A1726 PolarHBondContact O-N 3Å; A1726-Q1797 PolarHBondContact O-NE2 3.44Å |
| 1727 | K | 77.7 | Confident | 78.3 | Confident | 128 Ų | 128 | 70.3 Ų | 70.3 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | trans | -72.6 | 135 | 171.7 | -57.8 | 159.5 | -170.3 | 148.4 | 0 | 108.9 | Y1724 D1725 N1729 | Y1724-K1727 WeakPolarHBondContact O-CB 3.42Å; Y1724-K1727 WeakPolarHBondContact O-CD 3.32Å; Y1724-K1727 WeakPolarHBondContact O-CG 3.25Å; Y1724-K1727 PolarHBondContact O-N 2.68Å; D1725-K1727 HydrophobicContact CB-CD 4.47Å; D1725-K1727 PolarHBondContact O-N 2.88Å; D1725-K1727 IonicContact OD2-NZ 3.83Å; D1725-K1727 PolarHBondContact OD2-NZ 3.34Å; K1727-N1729 PolarHBondContact O-N 2.87Å | ||
| 1728 | R | 80.9 | Confident | 77.9 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | trans | -60 | 123.7 | 175.9 | 179.4 | 174 | 171.2 | 159 | -4.5 | 110.1 | E1710 Y1712 D1730 Q1797 | E1710-R1728 VanDerWaalsContact CD-NH1 3.26Å; E1710-R1728 IonicContact OE1-CZ 3.77Å; E1710-R1728 IonicContact OE1-NH1 2.7Å; E1710-R1728 PolarHBondContact OE1-NH1 3Å; E1710-R1728 IonicContact OE1-NH2 3.84Å; E1710-R1728 IonicContact OE2-NH1 2.7Å; E1710-R1728 PolarHBondContact OE2-NH1 3.01Å; E1710-R1728 VanDerWaalsContact OE2-NH1 3.09Å; Y1712-R1728 HydrophobicContact CE2-CG 4.4Å; R1728-D1730 WeakPolarHBondContact CG-OD1 3.29Å; R1728-D1730 IonicContact CZ-OD1 2.82Å; R1728-D1730 IonicContact CZ-OD2 3.13Å; R1728-D1730 IonicContact NE-OD1 3.66Å; R1728-D1730 PolarHBondContact NE-OD1 2.96Å; R1728-D1730 IonicContact NE-OD2 2.69Å; R1728-D1730 PolarHBondContact NE-OD2 3.13Å; R1728-D1730 IonicContact NH2-OD1 3.53Å; R1728-D1730 IonicContact NH2-OD2 3.18Å; R1728-D1730 PolarHBondContact NH2-OD2 3.44Å; R1728-Q1797 VanDerWaalsContact CA-OE1 3.23Å | ||
| 1729 | N | 80.2 | Confident | 77.3 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | trans | -132 | 102.1 | 170.7 | -179.1 | -2.7 | 0 | 0 | 0 | 108.4 | Y1724 K1727 S1731 C1732 | Y1724-N1729 HydrophobicContact CD2-CB 3.68Å; Y1724-N1729 WeakPolarHBondContact CE1-ND2 3.29Å; Y1724-N1729 HydrophobicContact CE2-CB 3.87Å; Y1724-N1729 VanDerWaalsContact CE2-ND2 3.35Å; Y1724-N1729 WeakPolarHBondContact CE2-ND2 3.17Å; Y1724-N1729 HydrophobicContact CG-CB 4.19Å; K1727-N1729 PolarHBondContact O-N 2.87Å; N1729-S1731 PolarHBondContact O-N 2.8Å; N1729-S1731 VanDerWaalsContact O-N 3.13Å; N1729-S1731 WeakPolarHBondContact OD1-CB 3.44Å; N1729-S1731 PolarHBondContact OD1-N 3.3Å; N1729-C1732 VanDerWaalsContact O-CB 3.27Å; N1729-C1732 WeakPolarHBondContact O-CB 3.37Å; N1729-C1732 PolarHBondContact O-N 2.85Å; N1729-C1732 VanDerWaalsContact O-N 3.08Å; N1729-C1732 PolarHBondContact O-SG 3.1Å | ||
| 1730 | D | 74.7 | Confident | 76.7 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7 | -177 | -67.8 | -23.8 | 0 | 0 | 0 | 113.3 | Y1712 K1714 R1728 | Y1712-D1730 WeakPolarHBondContact CE2-OD1 3.06Å; Y1712-D1730 VanDerWaalsContact CZ-OD1 3.29Å; Y1712-D1730 PolarHBondContact OH-OD1 3.07Å; K1714-D1730 PolarHBondContact NZ-O 3.43Å; K1714-D1730 VanDerWaalsContact NZ-O 3.16Å; R1728-D1730 WeakPolarHBondContact CG-OD1 3.29Å; R1728-D1730 IonicContact CZ-OD1 2.82Å; R1728-D1730 IonicContact CZ-OD2 3.13Å; R1728-D1730 IonicContact NE-OD1 3.66Å; R1728-D1730 PolarHBondContact NE-OD1 2.96Å; R1728-D1730 IonicContact NE-OD2 2.69Å; R1728-D1730 PolarHBondContact NE-OD2 3.13Å; R1728-D1730 IonicContact NH2-OD1 3.53Å; R1728-D1730 IonicContact NH2-OD2 3.18Å; R1728-D1730 PolarHBondContact NH2-OD2 3.44Å |
| 1731 | S | 79.8 | Confident | 76.6 | Confident | 109 Ų | 109 | 68.9 Ų | 68.9 | 76% | 0.762 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 20.2 | 170.6 | -52 | 0 | 0 | 0 | 0 | 113.3 | N1729 | N1729-S1731 PolarHBondContact O-N 2.8Å; N1729-S1731 VanDerWaalsContact O-N 3.13Å; N1729-S1731 WeakPolarHBondContact OD1-CB 3.44Å; N1729-S1731 PolarHBondContact OD1-N 3.3Å |
| 1732 | C | 78.2 | Confident | 77 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 10% | 0.095 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -66.6 | 156 | 177.8 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | L1716 Y1724 N1729 C1734 | L1716-C1732 HydrophobicContact CD2-CB 4.24Å; Y1724-C1732 HydrophobicContact CE2-CB 4.37Å; N1729-C1732 VanDerWaalsContact O-CB 3.27Å; N1729-C1732 WeakPolarHBondContact O-CB 3.37Å; N1729-C1732 PolarHBondContact O-N 2.85Å; N1729-C1732 VanDerWaalsContact O-N 3.08Å; N1729-C1732 PolarHBondContact O-SG 3.1Å; C1732-C1734 HydrophobicContact CB-CB 4.24Å; C1732-C1734 WeakPolarHBondContact CB-SG 3.34Å; C1732-C1734 PolarHBondContact O-N 2.94Å; C1732-C1734 WeakPolarHBondContact SG-CB 3.4Å; C1732-C1734 CovalentContact SG-SG 2.04Å; C1732-C1734 PolarHBondContact SG-SG 2.92Å |
| 1733 | A | 80.7 | Confident | 77.4 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -71.6 | 79.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1717 | L1717-A1733 WeakPolarHBondContact CB-O 3.48Å; L1717-A1733 HydrophobicContact CD1-CB 4.31Å; L1717-A1733 WeakPolarHBondContact CG-O 3.47Å; L1717-A1733 PolarHBondContact N-O 2.87Å |
| 1734 | C | 84 | Confident | 78.1 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.5 | -161.5 | -73.3 | 0 | 0 | 0 | 0 | 112.9 | K1714 R1715 L1716 C1732 | K1714-C1734 HydrophobicContact CB-CB 4.11Å; K1714-C1734 HydrophobicContact CD-CB 4.48Å; R1715-C1734 CarbonylContact O-C 3.49Å; R1715-C1734 WeakPolarHBondContact O-CA 3.37Å; R1715-C1734 VanDerWaalsContact O-CB 3.32Å; R1715-C1734 WeakPolarHBondContact O-CB 3.42Å; L1716-C1734 VanDerWaalsContact CD2-SG 3.54Å; C1732-C1734 HydrophobicContact CB-CB 4.24Å; C1732-C1734 WeakPolarHBondContact CB-SG 3.34Å; C1732-C1734 PolarHBondContact O-N 2.94Å; C1732-C1734 WeakPolarHBondContact SG-CB 3.4Å; C1732-C1734 CovalentContact SG-SG 2.04Å; C1732-C1734 PolarHBondContact SG-SG 2.92Å |
| 1735 | T | 83.1 | Confident | 78.8 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.5 | 165.5 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | R1715 L1717 E1737 | R1715-T1735 PolarHBondContact N-O 3.17Å; R1715-T1735 PolarHBondContact O-N 3.45Å; L1717-T1735 HydrophobicContact CD2-CG2 3.77Å; T1735-E1737 PolarHBondContact O-N 2.83Å |
| 1736 | E | 80.7 | Confident | 79.8 | Confident | 124 Ų | 124 | 58.4 Ų | 58.4 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 127 | 164.2 | -57.8 | -60.5 | 146.8 | 0 | 0 | 109.2 | K1714 | K1714-E1736 WeakPolarHBondContact CE-OE1 3.24Å; K1714-E1736 IonicContact NZ-OE1 2.69Å; K1714-E1736 PolarHBondContact NZ-OE1 2.98Å |
| 1737 | E | 73.9 | Confident | 80.7 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | trans | -107.5 | 129.6 | 179.1 | -172.3 | 57.7 | -94.5 | 0 | 0 | 109 | G1713 R1715 T1735 C1789 | G1713-E1737 PolarHBondContact O-N 2.83Å; R1715-E1737 HydrophobicContact CB-CB 4.36Å; R1715-E1737 IonicContact CZ-OE2 3.17Å; R1715-E1737 IonicContact NE-OE2 3.23Å; R1715-E1737 IonicContact NH1-OE2 2.74Å; R1715-E1737 PolarHBondContact NH1-OE2 2.95Å; R1715-E1737 IonicContact NH2-OE2 2.71Å; R1715-E1737 PolarHBondContact NH2-OE2 3.21Å; T1735-E1737 PolarHBondContact O-N 2.83Å; E1737-C1789 HydrophobicContact CB-CB 4.28Å; E1737-C1789 HydrophobicContact CG-CB 3.89Å | ||
| 1738 | S | 71 | Confident | 81.3 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | trans | -105.8 | 0.3 | -167.6 | 58 | 0 | 0 | 0 | 0 | 113.9 | P1740 P1741 | S1738-P1740 CarbonylContact C-O 3.53Å; S1738-P1741 WeakPolarHBondContact O-CA 3.35Å | ||
| 1739 | N | 69.1 | Low | 81.7 | Confident | 120 Ų | 120 | 53.2 Ų | 53.2 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -147.7 | 107.8 | -175.2 | -168.9 | 16.7 | 0 | 0 | 0 | 111.7 | ||
| 1740 | P | 63.3 | Low | 82.1 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 26% | 0.26 | 30% | 0.297 | S | S | . | . | S | Bend | cis | -61.1 | 148.4 | 1.5 | -22.8 | 35.2 | 0 | 0 | 0 | 113 | F1711 S1738 | F1711-P1740 HydrophobicContact CD1-CB 4.43Å; F1711-P1740 HydrophobicContact CD2-CB 4.47Å; F1711-P1740 HydrophobicContact CE1-CB 3.93Å; F1711-P1740 HydrophobicContact CE1-CG 4.18Å; F1711-P1740 HydrophobicContact CE2-CB 3.97Å; F1711-P1740 HydrophobicContact CE2-CG 3.9Å; F1711-P1740 HydrophobicContact CZ-CB 3.7Å; F1711-P1740 HydrophobicContact CZ-CG 3.53Å; S1738-P1740 CarbonylContact C-O 3.53Å |
| 1741 | P | 77.2 | Confident | 82.8 | Confident | 69 Ų | 69 | 49 Ų | 49 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 126.9 | 179.9 | 28.1 | -34.3 | 0 | 0 | 0 | 109.6 | S1738 | S1738-P1741 WeakPolarHBondContact O-CA 3.35Š|
| 1742 | P | 87.8 | Confident | 83.2 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 20% | 0.195 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 160.2 | -179.4 | 26.3 | -34 | 0 | 0 | 0 | 112 | F1711 G1713 G1778 S1779 | F1711-P1742 VanDerWaalsContact O-CA 3.29Å; F1711-P1742 WeakPolarHBondContact O-CA 3.42Å; F1711-P1742 VanDerWaalsContact O-CB 3.29Å; F1711-P1742 WeakPolarHBondContact O-CB 3.32Å; G1713-P1742 VanDerWaalsContact CA-CB 3.45Å; P1742-G1778 CarbonylContact O-C 3.51Å; P1742-G1778 VanDerWaalsContact O-CA 3.32Å; P1742-G1778 WeakPolarHBondContact O-CA 3.41Å; P1742-S1779 PolarHBondContact O-N 3.3Å |
| 1743 | G | 89.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 153.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1710 F1711 H1777 S1779 V1781 | E1710-G1743 CarbonylContact C-O 3.56Å; E1710-G1743 VanDerWaalsContact CA-O 3.29Å; E1710-G1743 WeakPolarHBondContact CA-O 3.09Å; F1711-G1743 PolarHBondContact N-O 3.08Å; F1711-G1743 PolarHBondContact O-N 3.36Å; G1743-H1777 CarbonylContact C-O 3.53Å; G1743-H1777 VanDerWaalsContact CA-O 3.24Å; G1743-H1777 WeakPolarHBondContact CA-O 3.37Å; G1743-S1779 VanDerWaalsContact CA-O 3.3Å; G1743-S1779 WeakPolarHBondContact CA-O 3.45Å; G1743-V1781 WeakPolarHBondContact O-CG2 3.33Å |
| 1744 | L | 91.7 | Very high | 83.8 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 120.1 | 171.3 | 176.6 | 61.9 | 0 | 0 | 0 | 108.5 | F1708 A1709 E1710 V1775 E1776 H1777 | F1708-L1744 HydrophobicContact CB-CD1 4.39Å; F1708-L1744 HydrophobicContact CD2-CD1 3.81Å; F1708-L1744 HydrophobicContact CG-CD1 4.41Å; A1709-L1744 WeakPolarHBondContact O-CA 3.29Å; E1710-L1744 HydrophobicContact CB-CD1 3.88Å; E1710-L1744 HydrophobicContact CG-CD1 4.17Å; L1744-V1775 CarbonylContact O-C 3.52Å; L1744-V1775 WeakPolarHBondContact O-CA 3.42Å; L1744-E1776 HydrophobicContact CD2-CB 4.29Å; L1744-E1776 VanDerWaalsContact CD2-OE2 3.3Å; L1744-E1776 WeakPolarHBondContact CD2-OE2 3.38Å; L1744-E1776 HydrophobicContact CG-CB 4.39Å; L1744-E1776 PolarHBondContact O-N 2.91Å; L1744-H1777 HydrophobicContact CB-CB 4.34Å; L1744-H1777 PolarHBondContact N-O 2.02Å |
| 1745 | T | 91 | Very high | 83.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.5 | -176.9 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | F1708 A1709 F1747 A1773 T1774 V1775 F1780 V1781 | F1708-T1745 CarbonylContact C-O 3.51Å; F1708-T1745 WeakPolarHBondContact CA-O 3.2Å; A1709-T1745 PolarHBondContact N-O 2.02Å; A1709-T1745 PolarHBondContact O-N 3.48Å; T1745-F1747 HydrophobicContact CG2-CD2 4.31Å; T1745-F1747 HydrophobicContact CG2-CE1 4.37Å; T1745-F1747 HydrophobicContact CG2-CE2 3.55Å; T1745-F1747 HydrophobicContact CG2-CZ 3.58Å; T1745-A1773 HydrophobicContact CG2-CB 4.09Å; T1745-T1774 CarbonylContact C-O 3.35Å; T1745-T1774 WeakPolarHBondContact CA-O 3.37Å; T1745-V1775 HydrophobicContact CG2-CG2 4.2Å; T1745-F1780 HydrophobicContact CG2-CD2 3.68Å; T1745-F1780 HydrophobicContact CG2-CE2 3.71Å; T1745-F1780 WeakPolarHBondContact OG1-CA 3.47Å; T1745-V1781 PolarHBondContact OG1-N 3.49Å |
| 1746 | R | 90.9 | Very high | 83.7 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 156 | 172.3 | -58.5 | -166.2 | -172.5 | -75.4 | -13.6 | 111.6 | P1704 N1707 F1708 A1773 T1774 E1776 | P1704-R1746 PolarHBondContact O-NH1 3.26Å; P1704-R1746 PolarHBondContact O-NH2 2.95Å; N1707-R1746 CarbonylContact O-C 3.59Å; N1707-R1746 WeakPolarHBondContact O-CA 3.48Å; F1708-R1746 HydrophobicContact CB-CG 4.07Å; R1746-A1773 CarbonylContact O-C 3.55Å; R1746-A1773 WeakPolarHBondContact O-CA 3.38Å; R1746-A1773 VanDerWaalsContact O-CB 3.31Å; R1746-A1773 WeakPolarHBondContact O-CB 3.31Å; R1746-T1774 PolarHBondContact N-O 2.99Å; R1746-T1774 PolarHBondContact O-N 2.89Å; R1746-E1776 WeakPolarHBondContact CD-OE1 3.28Å; R1746-E1776 HydrophobicContact CG-CG 4.46Å; R1746-E1776 IonicContact CZ-OE1 2.79Å; R1746-E1776 IonicContact CZ-OE2 2.67Å; R1746-E1776 VanDerWaalsContact CZ-OE2 3.23Å; R1746-E1776 IonicContact NE-OE1 3.18Å; R1746-E1776 PolarHBondContact NE-OE1 2.87Å; R1746-E1776 IonicContact NE-OE2 3.84Å; R1746-E1776 PolarHBondContact NE-OE2 2.86Å; R1746-E1776 IonicContact NH2-OE1 2.71Å; R1746-E1776 IonicContact NH2-OE2 2.67Å; R1746-E1776 PolarHBondContact NH2-OE2 3.29Å |
| 1747 | F | 90.1 | Very high | 84 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 113.3 | -173.4 | -66.4 | -96 | 0 | 0 | 0 | 110.2 | L1700 N1707 A1709 T1745 I1750 A1773 F1780 V1781 F1783 | L1700-F1747 HydrophobicContact CD1-CB 4.12Å; N1707-F1747 WeakPolarHBondContact CB-O 3.28Å; N1707-F1747 PolarHBondContact O-N 2.97Å; A1709-F1747 HydrophobicContact CB-CE2 4.16Å; T1745-F1747 HydrophobicContact CG2-CD2 4.31Å; T1745-F1747 HydrophobicContact CG2-CE1 4.37Å; T1745-F1747 HydrophobicContact CG2-CE2 3.55Å; T1745-F1747 HydrophobicContact CG2-CZ 3.58Å; F1747-I1750 HydrophobicContact CB-CG2 4.18Å; F1747-I1750 HydrophobicContact CD1-CG2 4.14Å; F1747-I1750 HydrophobicContact CG-CG2 4.45Å; F1747-A1773 HydrophobicContact CD1-CB 3.65Å; F1747-A1773 HydrophobicContact CE1-CB 3.69Å; F1747-A1773 HydrophobicContact CG-CB 4.26Å; F1747-A1773 HydrophobicContact CZ-CB 4.34Å; F1747-F1780 HydrophobicContact CE1-CE2 4.07Å; F1747-F1780 AromaticContact CE1-CZ 3.91Å; F1747-F1780 HydrophobicContact CE1-CZ 3.91Å; F1747-F1780 AromaticContact CZ-CE2 3.99Å; F1747-F1780 HydrophobicContact CZ-CE2 3.99Å; F1747-F1780 AromaticContact CZ-CZ 3.85Å; F1747-F1780 HydrophobicContact CZ-CZ 3.85Å; F1747-V1781 WeakPolarHBondContact CZ-O 3.33Å; F1747-F1783 HydrophobicContact CB-CD2 3.91Å; F1747-F1783 HydrophobicContact CB-CE2 4.08Å; F1747-F1783 HydrophobicContact CD1-CB 4.07Å; F1747-F1783 HydrophobicContact CD1-CD2 4.14Å; F1747-F1783 HydrophobicContact CD1-CG 4.42Å; F1747-F1783 HydrophobicContact CD2-CB 4.3Å; F1747-F1783 AromaticContact CD2-CD2 3.52Å; F1747-F1783 HydrophobicContact CD2-CD2 3.52Å; F1747-F1783 HydrophobicContact CD2-CE2 4.33Å; F1747-F1783 HydrophobicContact CD2-CG 4.37Å; F1747-F1783 HydrophobicContact CE1-CB 3.85Å; F1747-F1783 HydrophobicContact CE2-CB 4.08Å; F1747-F1783 HydrophobicContact CE2-CD2 4.06Å; F1747-F1783 HydrophobicContact CG-CB 4.3Å; F1747-F1783 AromaticContact CG-CD2 3.57Å; F1747-F1783 HydrophobicContact CG-CD2 3.57Å; F1747-F1783 HydrophobicContact CG-CE2 4.25Å; F1747-F1783 HydrophobicContact CG-CG 4.28Å; F1747-F1783 HydrophobicContact CZ-CB 3.86Å |
| 1748 | H | 88.6 | Confident | 84.7 | Confident | 74 Ų | 74 | 43.4 Ų | 43.4 | 34% | 0.343 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -88.6 | -28.7 | 175.1 | -52.1 | -61.6 | 0 | 0 | 0 | 111.7 | L1700 F1772 T1774 | L1700-H1748 PolarHBondContact N-O 2.91Å; H1748-F1772 WeakPolarHBondContact CB-O 3.46Å; H1748-F1772 PolarHBondContact N-O 3.5Å; H1748-T1774 PolarHBondContact NE2-OG1 3.07Å |
| 1749 | R | 90.9 | Very high | 85.4 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 22% | 0.223 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 155.5 | 166.6 | -44.5 | -170.6 | 158.5 | 86.5 | 7.7 | 111 | E1672 Y1697 L1698 T1699 F1772 | E1672-R1749 IonicContact OE1-NH2 3.68Å; Y1697-R1749 HydrophobicContact CD1-CB 4.23Å; L1698-R1749 VanDerWaalsContact O-CA 3.23Å; L1698-R1749 WeakPolarHBondContact O-CA 3.38Å; L1698-R1749 WeakPolarHBondContact O-CB 3.35Å; T1699-R1749 PolarHBondContact OG1-NE 3.41Å; R1749-F1772 HydrophobicContact CB-CB 3.66Å; R1749-F1772 HydrophobicContact CB-CD2 3.85Å; R1749-F1772 HydrophobicContact CB-CG 3.87Å; R1749-F1772 HydrophobicContact CG-CB 3.84Å; R1749-F1772 HydrophobicContact CG-CD1 4.3Å; R1749-F1772 HydrophobicContact CG-CD2 4.12Å; R1749-F1772 HydrophobicContact CG-CG 3.83Å |
| 1750 | I | 88.8 | Confident | 85.4 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.9 | 174.6 | 54.8 | 177.9 | 0 | 0 | 0 | 110.7 | Y1697 L1698 L1700 F1747 V1759 F1783 L1804 | Y1697-I1750 CarbonylContact C-O 3.57Å; Y1697-I1750 VanDerWaalsContact CA-O 3.31Å; Y1697-I1750 WeakPolarHBondContact CA-O 3.19Å; L1698-I1750 HydrophobicContact CB-CG1 4.02Å; L1698-I1750 PolarHBondContact N-O 2.03Å; L1698-I1750 PolarHBondContact O-N 2.89Å; L1700-I1750 HydrophobicContact CD1-CB 4.49Å; L1700-I1750 HydrophobicContact CD1-CD1 4.22Å; L1700-I1750 HydrophobicContact CD1-CG1 4.13Å; L1700-I1750 HydrophobicContact CD1-CG2 3.77Å; L1700-I1750 HydrophobicContact CD2-CD1 4.03Å; L1700-I1750 HydrophobicContact CD2-CG1 4.15Å; L1700-I1750 HydrophobicContact CG-CG1 4.29Å; F1747-I1750 HydrophobicContact CB-CG2 4.18Å; F1747-I1750 HydrophobicContact CD1-CG2 4.14Å; F1747-I1750 HydrophobicContact CG-CG2 4.45Å; I1750-V1759 HydrophobicContact CB-CG1 3.99Å; I1750-V1759 HydrophobicContact CD1-CG1 4.04Å; I1750-V1759 HydrophobicContact CD1-CG2 3.93Å; I1750-V1759 HydrophobicContact CG1-CG1 4.36Å; I1750-F1783 HydrophobicContact CD1-CD1 4.2Å; I1750-F1783 HydrophobicContact CD1-CE1 3.54Å; I1750-F1783 HydrophobicContact CD1-CZ 4.04Å; I1750-F1783 HydrophobicContact CG2-CB 4.49Å; I1750-F1783 HydrophobicContact CG2-CD1 3.84Å; I1750-F1783 HydrophobicContact CG2-CD2 4.14Å; I1750-F1783 HydrophobicContact CG2-CE1 3.95Å; I1750-F1783 HydrophobicContact CG2-CE2 4.23Å; I1750-F1783 HydrophobicContact CG2-CG 3.92Å; I1750-F1783 HydrophobicContact CG2-CZ 4.12Å; I1750-L1804 HydrophobicContact CD1-CD2 4.23Å |
| 1751 | N | 89.3 | Confident | 85.1 | Confident | 19 Ų | 19 | 37.2 Ų | 37.2 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127.1 | 176.8 | 179.9 | -36.6 | 0 | 0 | 0 | 109.6 | Y1697 V1759 N1760 D1769 | Y1697-N1751 HydrophobicContact CD1-CB 4.04Å; Y1697-N1751 HydrophobicContact CE1-CB 3.72Å; N1751-V1759 WeakPolarHBondContact O-CA 3.5Å; N1751-V1759 WeakPolarHBondContact O-CG1 3.07Å; N1751-N1760 HydrophobicContact CB-CB 4.18Å; N1751-N1760 PolarHBondContact O-N 2.86Å; N1751-N1760 PolarHBondContact OD1-ND2 3.33Å; N1751-D1769 PolarHBondContact ND2-OD2 2.04Å |
| 1752 | I | 87.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.2 | -177.4 | -174.9 | 178.8 | 0 | 0 | 0 | 110.4 | E1696 L1698 L1754 F1809 L1858 | E1696-I1752 HydrophobicContact CB-CG2 4.11Å; E1696-I1752 VanDerWaalsContact CB-O 3.3Å; E1696-I1752 WeakPolarHBondContact CB-O 3.43Å; E1696-I1752 PolarHBondContact O-N 2.93Å; E1696-I1752 VanDerWaalsContact O-N 3.08Å; L1698-I1752 HydrophobicContact CB-CG2 4.23Å; I1752-L1754 HydrophobicContact CD1-CD2 4.23Å; I1752-L1754 HydrophobicContact CG2-CD2 4.41Å; I1752-F1809 HydrophobicContact CD1-CD1 4.36Å; I1752-F1809 HydrophobicContact CD1-CE1 3.85Å; I1752-F1809 HydrophobicContact CD1-CE2 4.14Å; I1752-F1809 HydrophobicContact CD1-CZ 3.69Å; I1752-L1858 HydrophobicContact CD1-CD1 3.79Å; I1752-L1858 HydrophobicContact CG1-CD1 4.48Å |
| 1753 | D | 86.4 | Confident | 81.8 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.9 | 164.2 | 170.5 | -9.3 | 0 | 0 | 0 | 108.8 | D1755 T1756 L1757 R1758 | D1753-D1755 WeakPolarHBondContact OD1-CA 3.3Å; D1753-D1755 PolarHBondContact OD1-N 2.94Å; D1753-T1756 PolarHBondContact OD1-N 2.93Å; D1753-T1756 VanDerWaalsContact OD2-CB 3.31Å; D1753-T1756 WeakPolarHBondContact OD2-CB 3.03Å; D1753-T1756 WeakPolarHBondContact OD2-CG2 3.41Å; D1753-T1756 PolarHBondContact OD2-OG1 3.42Å; D1753-L1757 WeakPolarHBondContact O-CA 2.97Å; D1753-L1757 PolarHBondContact O-N 3.34Å; D1753-R1758 PolarHBondContact N-O 2.94Å; D1753-R1758 PolarHBondContact O-N 2.79Å |
| 1754 | L | 84.8 | Confident | 79.5 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -20.2 | -178.4 | -72.3 | -179.2 | 0 | 0 | 0 | 114.4 | N1657 I1675 I1684 E1696 I1752 L1757 F1809 | N1657-L1754 HydrophobicContact CB-CD1 4.4Å; I1675-L1754 HydrophobicContact CG2-CD1 3.95Å; I1684-L1754 HydrophobicContact CD1-CD2 3.91Å; I1684-L1754 HydrophobicContact CG1-CD1 4.2Å; I1684-L1754 HydrophobicContact CG1-CD2 4.29Å; E1696-L1754 HydrophobicContact CB-CD1 4.42Å; E1696-L1754 HydrophobicContact CB-CG 4.29Å; E1696-L1754 HydrophobicContact CG-CD1 3.6Å; E1696-L1754 HydrophobicContact CG-CG 3.87Å; I1752-L1754 HydrophobicContact CD1-CD2 4.23Å; I1752-L1754 HydrophobicContact CG2-CD2 4.41Å; L1754-L1757 WeakPolarHBondContact O-CD2 3.43Å; L1754-F1809 HydrophobicContact CD2-CZ 4.07Å |
| 1755 | D | 81.1 | Confident | 77 | Confident | 111 Ų | 111 | 52.1 Ų | 52.1 | 59% | 0.594 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -46.9 | 179 | -69.2 | -53.5 | 0 | 0 | 0 | 109.5 | R1678 D1753 | R1678-D1755 PolarHBondContact NH2-O 3.08Å; D1753-D1755 WeakPolarHBondContact OD1-CA 3.3Å; D1753-D1755 PolarHBondContact OD1-N 2.94Å |
| 1756 | T | 84.2 | Confident | 74.6 | Confident | 50 Ų | 50 | 57.7 Ų | 57.7 | 31% | 0.307 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -15.2 | 176.8 | 76.7 | 0 | 0 | 0 | 0 | 115.1 | D1753 R1758 | D1753-T1756 PolarHBondContact OD1-N 2.93Å; D1753-T1756 VanDerWaalsContact OD2-CB 3.31Å; D1753-T1756 WeakPolarHBondContact OD2-CB 3.03Å; D1753-T1756 WeakPolarHBondContact OD2-CG2 3.41Å; D1753-T1756 PolarHBondContact OD2-OG1 3.42Å; T1756-R1758 VanDerWaalsContact C-N 3.33Å |
| 1757 | L | 87.2 | Confident | 72.3 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 33.6 | -172.7 | -61.1 | -168.7 | 0 | 0 | 0 | 114.9 | D1753 L1754 F1809 L1857 L1858 V1860 | D1753-L1757 WeakPolarHBondContact O-CA 2.97Å; D1753-L1757 PolarHBondContact O-N 3.34Å; L1754-L1757 WeakPolarHBondContact O-CD2 3.43Å; L1757-F1809 HydrophobicContact CD2-CE1 3.88Å; L1757-L1857 HydrophobicContact CB-CD1 4.45Å; L1757-L1858 WeakPolarHBondContact CB-O 3.36Å; L1757-L1858 PolarHBondContact O-N 3.07Å; L1757-V1860 HydrophobicContact CD1-CG2 4.11Å |
| 1758 | R | 87.7 | Confident | 70.3 | Confident | 96 Ų | 96 | 65 Ų | 65 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 143.7 | 177.1 | -67.3 | -177.6 | 173.1 | 105.6 | -7.3 | 112 | D1753 T1756 V1854 L1857 | D1753-R1758 PolarHBondContact N-O 2.94Å; D1753-R1758 PolarHBondContact O-N 2.79Å; T1756-R1758 VanDerWaalsContact C-N 3.33Å; R1758-V1854 PolarHBondContact NE-O 3.42Å; R1758-L1857 HydrophobicContact CG-CD1 4Å |
| 1759 | V | 86.3 | Confident | 68.7 | Low | 9 Ų | 9 | 63.6 Ų | 63.6 | 6% | 0.055 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 126.6 | 169.5 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | I1750 N1751 S1761 F1783 L1856 L1858 | I1750-V1759 HydrophobicContact CB-CG1 3.99Å; I1750-V1759 HydrophobicContact CD1-CG1 4.04Å; I1750-V1759 HydrophobicContact CD1-CG2 3.93Å; I1750-V1759 HydrophobicContact CG1-CG1 4.36Å; N1751-V1759 WeakPolarHBondContact O-CA 3.5Å; N1751-V1759 WeakPolarHBondContact O-CG1 3.07Å; V1759-S1761 PolarHBondContact O-N 2.92Å; V1759-F1783 HydrophobicContact CG1-CD1 4.39Å; V1759-L1856 HydrophobicContact CB-CB 4.13Å; V1759-L1856 HydrophobicContact CB-CD2 4.01Å; V1759-L1856 HydrophobicContact CB-CG 4.17Å; V1759-L1856 HydrophobicContact CG1-CD2 4.37Å; V1759-L1856 HydrophobicContact CG2-CB 4.39Å; V1759-L1856 HydrophobicContact CG2-CD2 3.91Å; V1759-L1856 HydrophobicContact CG2-CG 3.95Å; V1759-L1856 PolarHBondContact N-O 3.32Å; V1759-L1858 HydrophobicContact CG2-CD1 3.78Å; V1759-L1858 HydrophobicContact CG2-CD2 4.32Å; V1759-L1858 HydrophobicContact CG2-CG 4.02Å |
| 1760 | N | 68.9 | Low | 67.3 | Low | 70 Ų | 70 | 61.8 Ų | 61.8 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | trans | -79.5 | 57.4 | -174.1 | -74.4 | -48 | 0 | 0 | 0 | 113.2 | N1751 | N1751-N1760 HydrophobicContact CB-CB 4.18Å; N1751-N1760 PolarHBondContact O-N 2.86Å; N1751-N1760 PolarHBondContact OD1-ND2 3.33Å | ||
| 1761 | S | 57.4 | Low | 66.7 | Low | 45 Ų | 45 | 67 Ų | 67 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | trans | -105.9 | 61 | 179.4 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | V1759 | V1759-S1761 PolarHBondContact O-N 2.92Š| ||
| 1762 | I | 50.6 | Low | 66.4 | Low | 121 Ų | 121 | 67.8 Ų | 67.8 | 62% | 0.621 | 37% | 0.369 | S | S | * | . | trans | -80.1 | 124.5 | -178.8 | -66.4 | 178.5 | 0 | 0 | 0 | 110.9 | V1764 | I1762-V1764 HydrophobicContact CG2-CB 4.07Å; I1762-V1764 HydrophobicContact CG2-CG2 3.63Å; I1762-V1764 PolarHBondContact O-N 2.95Å | ||
| 1763 | V | 44.4 | Very low | 66.4 | Low | 68 Ų | 68 | 68.8 Ų | 68.8 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | trans | -80.2 | 63.4 | -179.4 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | P1782 | V1763-P1782 HydrophobicContact CG2-CB 4.5Å; V1763-P1782 HydrophobicContact CG2-CG 4.38Å | ||
| 1764 | V | 41.1 | Very low | 66.3 | Low | 88 Ų | 88 | 69.4 Ų | 69.4 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | trans | -118.7 | 129.5 | 174.2 | 169.6 | 0 | 0 | 0 | 0 | 109.3 | I1762 T1766 | I1762-V1764 HydrophobicContact CG2-CB 4.07Å; I1762-V1764 HydrophobicContact CG2-CG2 3.63Å; I1762-V1764 PolarHBondContact O-N 2.95Å; V1764-T1766 PolarHBondContact O-N 3.29Å | ||
| 1765 | L | 40.2 | Very low | 66.4 | Low | 166 Ų | 166 | 72.3 Ų | 72.3 | 87% | 0.869 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 14.9 | -159 | -79.5 | 162.5 | 0 | 0 | 0 | 118.1 | ||
| 1766 | T | 39.4 | Very low | 66.4 | Low | 117 Ų | 117 | 72.1 Ų | 72.1 | 72% | 0.718 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.6 | -7.4 | -173.8 | 54.2 | 0 | 0 | 0 | 0 | 116.4 | V1764 | V1764-T1766 PolarHBondContact O-N 3.29Š|
| 1767 | V | 42.7 | Very low | 66.1 | Low | 113 Ų | 113 | 76 Ų | 76 | 69% | 0.685 | 41% | 0.41 | S | S | * | . | trans | -140.6 | 87.2 | 179.6 | -170.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1768 | H | 48.7 | Very low | 66 | Low | 95 Ų | 95 | 78.5 Ų | 78.5 | 44% | 0.44 | 44% | 0.436 | S | S | . | . | trans | -91.7 | 110.4 | 169.2 | -62 | -62.1 | 0 | 0 | 0 | 109.8 | G1770 F1780 | H1768-G1770 PolarHBondContact O-N 2.91Å; H1768-F1780 HydrophobicContact CB-CD1 4.08Å; H1768-F1780 HydrophobicContact CB-CE1 3.86Å; H1768-F1780 HydrophobicContact CB-CZ 4.27Å; H1768-F1780 AromaticContact CG-CD1 3.71Å; H1768-F1780 AromaticContact CG-CE1 3.77Å; H1768-F1780 AromaticContact ND1-CD1 3.65Å; H1768-F1780 AromaticContact ND1-CE1 3.53Å | ||
| 1769 | D | 54.6 | Low | 65.8 | Low | 45 Ų | 45 | 76.3 Ų | 76.3 | 24% | 0.241 | 44% | 0.436 | C | S | . | . | trans | -80.2 | 44.6 | 175.6 | -156.9 | -6.9 | 0 | 0 | 0 | 112.3 | K1695 Y1697 N1751 H1771 | K1695-D1769 IonicContact NZ-OD1 2.67Å; K1695-D1769 IonicContact NZ-OD2 3.18Å; K1695-D1769 PolarHBondContact NZ-OD2 3.02Å; Y1697-D1769 VanDerWaalsContact OH-CG 3.3Å; Y1697-D1769 PolarHBondContact OH-OD1 3.48Å; Y1697-D1769 PolarHBondContact OH-OD2 2.9Å; N1751-D1769 PolarHBondContact ND2-OD2 2.04Å; D1769-H1771 PolarHBondContact O-N 2.95Å | ||
| 1770 | G | 62.4 | Low | 65.9 | Low | 21 Ų | 21 | 78.6 Ų | 78.6 | 22% | 0.216 | 45% | 0.445 | C | S | . | . | trans | -74.3 | 30.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1768 F1772 A1773 | H1768-G1770 PolarHBondContact O-N 2.91Å; G1770-F1772 PolarHBondContact O-N 2.86Å; G1770-F1772 VanDerWaalsContact O-N 3.12Å; G1770-A1773 WeakPolarHBondContact O-CB 3.02Å; G1770-A1773 PolarHBondContact O-N 3.18Å | ||
| 1771 | H | 74.9 | Confident | 66.7 | Low | 114 Ų | 114 | 75.8 Ų | 75.8 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.1 | -169.6 | -137.3 | 86.9 | 0 | 0 | 0 | 114 | Y1687 D1769 | Y1687-H1771 AromaticContact CE1-CD2 3.96Å; Y1687-H1771 AromaticContact CZ-CD2 3.8Å; Y1687-H1771 AromaticContact CZ-NE2 3.78Å; Y1687-H1771 PolarHBondContact OH-NE2 3.41Å; Y1687-H1771 VanDerWaalsContact OH-NE2 3.08Å; D1769-H1771 PolarHBondContact O-N 2.95Å |
| 1772 | F | 84.4 | Confident | 68.2 | Low | 37 Ų | 37 | 74.6 Ų | 74.6 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 29.4 | 173.1 | -58.4 | -75.5 | 0 | 0 | 0 | 111.7 | Y1685 Y1687 Y1697 H1748 R1749 G1770 | Y1685-F1772 HydrophobicContact CD1-CZ 4.28Å; Y1685-F1772 HydrophobicContact CE1-CE1 4.4Å; Y1685-F1772 HydrophobicContact CE1-CE2 4.46Å; Y1685-F1772 AromaticContact CE1-CZ 3.79Å; Y1685-F1772 HydrophobicContact CE1-CZ 3.79Å; Y1687-F1772 HydrophobicContact CD2-CE2 4.42Å; Y1687-F1772 AromaticContact CD2-CZ 3.81Å; Y1687-F1772 HydrophobicContact CD2-CZ 3.81Å; Y1687-F1772 HydrophobicContact CE2-CZ 4.27Å; Y1687-F1772 HydrophobicContact CG-CE2 4.17Å; Y1687-F1772 HydrophobicContact CG-CZ 4.02Å; Y1697-F1772 AromaticContact CD1-CD2 3.58Å; Y1697-F1772 HydrophobicContact CD1-CD2 3.58Å; Y1697-F1772 AromaticContact CD1-CE2 3.83Å; Y1697-F1772 HydrophobicContact CD1-CE2 3.83Å; Y1697-F1772 AromaticContact CD2-CE2 3.94Å; Y1697-F1772 HydrophobicContact CD2-CE2 3.94Å; Y1697-F1772 AromaticContact CE1-CD2 3.7Å; Y1697-F1772 HydrophobicContact CE1-CD2 3.7Å; Y1697-F1772 AromaticContact CE1-CE2 3.91Å; Y1697-F1772 HydrophobicContact CE1-CE2 3.91Å; Y1697-F1772 AromaticContact CE2-CE2 4Å; Y1697-F1772 HydrophobicContact CE2-CE2 4Å; Y1697-F1772 HydrophobicContact CG-CD2 4.03Å; Y1697-F1772 AromaticContact CG-CE2 3.86Å; Y1697-F1772 HydrophobicContact CG-CE2 3.86Å; Y1697-F1772 AromaticContact CZ-CE2 4Å; H1748-F1772 WeakPolarHBondContact CB-O 3.46Å; H1748-F1772 PolarHBondContact N-O 3.5Å; R1749-F1772 HydrophobicContact CB-CB 3.66Å; R1749-F1772 HydrophobicContact CB-CD2 3.85Å; R1749-F1772 HydrophobicContact CB-CG 3.87Å; R1749-F1772 HydrophobicContact CG-CB 3.84Å; R1749-F1772 HydrophobicContact CG-CD1 4.3Å; R1749-F1772 HydrophobicContact CG-CD2 4.12Å; R1749-F1772 HydrophobicContact CG-CG 3.83Å; G1770-F1772 PolarHBondContact O-N 2.86Å; G1770-F1772 VanDerWaalsContact O-N 3.12Å |
| 1773 | A | 86.2 | Confident | 70.2 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1745 R1746 F1747 G1770 F1780 | T1745-A1773 HydrophobicContact CG2-CB 4.09Å; R1746-A1773 CarbonylContact O-C 3.55Å; R1746-A1773 WeakPolarHBondContact O-CA 3.38Å; R1746-A1773 VanDerWaalsContact O-CB 3.31Å; R1746-A1773 WeakPolarHBondContact O-CB 3.31Å; F1747-A1773 HydrophobicContact CD1-CB 3.65Å; F1747-A1773 HydrophobicContact CE1-CB 3.69Å; F1747-A1773 HydrophobicContact CG-CB 4.26Å; F1747-A1773 HydrophobicContact CZ-CB 4.34Å; G1770-A1773 WeakPolarHBondContact O-CB 3.02Å; G1770-A1773 PolarHBondContact O-N 3.18Å; A1773-F1780 HydrophobicContact CB-CE2 4.01Å |
| 1774 | T | 84.4 | Confident | 72.4 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 37% | 0.368 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.1 | -176.2 | 39.6 | 0 | 0 | 0 | 0 | 109.2 | T1745 R1746 H1748 | T1745-T1774 CarbonylContact C-O 3.35Å; T1745-T1774 WeakPolarHBondContact CA-O 3.37Å; R1746-T1774 PolarHBondContact N-O 2.99Å; R1746-T1774 PolarHBondContact O-N 2.89Å; H1748-T1774 PolarHBondContact NE2-OG1 3.07Å |
| 1775 | V | 87.1 | Confident | 74.8 | Confident | 68 Ų | 68 | 62.1 Ų | 62.1 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 108.1 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | L1744 T1745 H1777 G1778 F1780 | L1744-V1775 CarbonylContact O-C 3.52Å; L1744-V1775 WeakPolarHBondContact O-CA 3.42Å; T1745-V1775 HydrophobicContact CG2-CG2 4.2Å; V1775-H1777 WeakPolarHBondContact CG1-O 3.42Å; V1775-G1778 WeakPolarHBondContact CG1-O 3.48Å; V1775-F1780 HydrophobicContact CG2-CB 4.06Å; V1775-F1780 HydrophobicContact CG2-CD2 4.04Å |
| 1776 | E | 81.7 | Confident | 77.3 | Confident | 107 Ų | 107 | 54.3 Ų | 54.3 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -33 | 179.9 | -69 | -170.2 | 150.2 | 0 | 0 | 112 | L1744 R1746 | L1744-E1776 HydrophobicContact CD2-CB 4.29Å; L1744-E1776 VanDerWaalsContact CD2-OE2 3.3Å; L1744-E1776 WeakPolarHBondContact CD2-OE2 3.38Å; L1744-E1776 HydrophobicContact CG-CB 4.39Å; L1744-E1776 PolarHBondContact O-N 2.91Å; R1746-E1776 WeakPolarHBondContact CD-OE1 3.28Å; R1746-E1776 HydrophobicContact CG-CG 4.46Å; R1746-E1776 IonicContact CZ-OE1 2.79Å; R1746-E1776 IonicContact CZ-OE2 2.67Å; R1746-E1776 VanDerWaalsContact CZ-OE2 3.23Å; R1746-E1776 IonicContact NE-OE1 3.18Å; R1746-E1776 PolarHBondContact NE-OE1 2.87Å; R1746-E1776 IonicContact NE-OE2 3.84Å; R1746-E1776 PolarHBondContact NE-OE2 2.86Å; R1746-E1776 IonicContact NH2-OE1 2.71Å; R1746-E1776 IonicContact NH2-OE2 2.67Å; R1746-E1776 PolarHBondContact NH2-OE2 3.29Å |
| 1777 | H | 78.4 | Confident | 79.9 | Confident | 132 Ų | 132 | 48.7 Ų | 48.7 | 61% | 0.611 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 145 | -179 | -171.2 | -97 | 0 | 0 | 0 | 110.5 | G1743 L1744 V1775 | G1743-H1777 CarbonylContact C-O 3.53Å; G1743-H1777 VanDerWaalsContact CA-O 3.24Å; G1743-H1777 WeakPolarHBondContact CA-O 3.37Å; L1744-H1777 HydrophobicContact CB-CB 4.34Å; L1744-H1777 PolarHBondContact N-O 2.02Å; V1775-H1777 WeakPolarHBondContact CG1-O 3.42Å |
| 1778 | G | 83.7 | Confident | 82.2 | Confident | 54 Ų | 54 | 43.3 Ų | 43.3 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 63.3 | -135.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115 | P1742 V1775 | P1742-G1778 CarbonylContact O-C 3.51Å; P1742-G1778 VanDerWaalsContact O-CA 3.32Å; P1742-G1778 WeakPolarHBondContact O-CA 3.41Å; V1775-G1778 WeakPolarHBondContact CG1-O 3.48Å |
| 1779 | S | 84.5 | Confident | 84.2 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 35% | 0.35 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -93.1 | 161.2 | -177.5 | -65.8 | 0 | 0 | 0 | 0 | 113.5 | P1742 G1743 V1781 | P1742-S1779 PolarHBondContact O-N 3.3Å; G1743-S1779 VanDerWaalsContact CA-O 3.3Å; G1743-S1779 WeakPolarHBondContact CA-O 3.45Å; S1779-V1781 PolarHBondContact O-N 2.87Å |
| 1780 | F | 87.7 | Confident | 85.8 | Confident | 58 Ų | 58 | 36.8 Ų | 36.8 | 25% | 0.254 | 21% | 0.212 | S | C | . | . | trans | -65.6 | 125.9 | 171.9 | 178.3 | -89.6 | 0 | 0 | 0 | 111.1 | T1745 F1747 H1768 A1773 V1775 P1782 | T1745-F1780 HydrophobicContact CG2-CD2 3.68Å; T1745-F1780 HydrophobicContact CG2-CE2 3.71Å; T1745-F1780 WeakPolarHBondContact OG1-CA 3.47Å; F1747-F1780 HydrophobicContact CE1-CE2 4.07Å; F1747-F1780 AromaticContact CE1-CZ 3.91Å; F1747-F1780 HydrophobicContact CE1-CZ 3.91Å; F1747-F1780 AromaticContact CZ-CE2 3.99Å; F1747-F1780 HydrophobicContact CZ-CE2 3.99Å; F1747-F1780 AromaticContact CZ-CZ 3.85Å; F1747-F1780 HydrophobicContact CZ-CZ 3.85Å; H1768-F1780 HydrophobicContact CB-CD1 4.08Å; H1768-F1780 HydrophobicContact CB-CE1 3.86Å; H1768-F1780 HydrophobicContact CB-CZ 4.27Å; H1768-F1780 AromaticContact CG-CD1 3.71Å; H1768-F1780 AromaticContact CG-CE1 3.77Å; H1768-F1780 AromaticContact ND1-CD1 3.65Å; H1768-F1780 AromaticContact ND1-CE1 3.53Å; A1773-F1780 HydrophobicContact CB-CE2 4.01Å; V1775-F1780 HydrophobicContact CG2-CB 4.06Å; V1775-F1780 HydrophobicContact CG2-CD2 4.04Å; F1780-P1782 HydrophobicContact CE1-CB 4.37Å; F1780-P1782 HydrophobicContact CE1-CG 4.15Å | ||
| 1781 | V | 87.4 | Confident | 86.8 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | trans | -111.3 | 121.7 | 175.8 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | A1709 F1711 G1743 T1745 F1747 S1779 | A1709-V1781 HydrophobicContact CB-CB 3.93Å; A1709-V1781 HydrophobicContact CB-CG1 3.75Å; F1711-V1781 HydrophobicContact CB-CG2 4.22Å; G1743-V1781 WeakPolarHBondContact O-CG2 3.33Å; T1745-V1781 PolarHBondContact OG1-N 3.49Å; F1747-V1781 WeakPolarHBondContact CZ-O 3.33Å; S1779-V1781 PolarHBondContact O-N 2.87Å | ||
| 1782 | P | 88.7 | Confident | 87 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | trans | -59.9 | 149.4 | -177.9 | -25 | 34 | 0 | 0 | 0 | 114.2 | A1709 V1763 F1780 T1785 | A1709-P1782 VanDerWaalsContact CB-O 3.24Å; A1709-P1782 WeakPolarHBondContact CB-O 3.32Å; V1763-P1782 HydrophobicContact CG2-CB 4.5Å; V1763-P1782 HydrophobicContact CG2-CG 4.38Å; F1780-P1782 HydrophobicContact CE1-CB 4.37Å; F1780-P1782 HydrophobicContact CE1-CG 4.15Å; P1782-T1785 HydrophobicContact CB-CG2 3.99Å; P1782-T1785 WeakPolarHBondContact CD-OG1 3.4Å; P1782-T1785 WeakPolarHBondContact O-CB 3.04Å; P1782-T1785 PolarHBondContact O-N 2.96Å; P1782-T1785 VanDerWaalsContact O-N 3.13Å; P1782-T1785 PolarHBondContact O-OG1 3.29Å | ||
| 1783 | F | 90.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 138.6 | -179.1 | -171.4 | -117.5 | 0 | 0 | 0 | 112.1 | L1700 F1747 I1750 V1759 T1785 V1802 L1856 | L1700-F1783 HydrophobicContact CD1-CE2 4.03Å; L1700-F1783 HydrophobicContact CD1-CZ 3.92Å; F1747-F1783 HydrophobicContact CB-CD2 3.91Å; F1747-F1783 HydrophobicContact CB-CE2 4.08Å; F1747-F1783 HydrophobicContact CD1-CB 4.07Å; F1747-F1783 HydrophobicContact CD1-CD2 4.14Å; F1747-F1783 HydrophobicContact CD1-CG 4.42Å; F1747-F1783 HydrophobicContact CD2-CB 4.3Å; F1747-F1783 AromaticContact CD2-CD2 3.52Å; F1747-F1783 HydrophobicContact CD2-CD2 3.52Å; F1747-F1783 HydrophobicContact CD2-CE2 4.33Å; F1747-F1783 HydrophobicContact CD2-CG 4.37Å; F1747-F1783 HydrophobicContact CE1-CB 3.85Å; F1747-F1783 HydrophobicContact CE2-CB 4.08Å; F1747-F1783 HydrophobicContact CE2-CD2 4.06Å; F1747-F1783 HydrophobicContact CG-CB 4.3Å; F1747-F1783 AromaticContact CG-CD2 3.57Å; F1747-F1783 HydrophobicContact CG-CD2 3.57Å; F1747-F1783 HydrophobicContact CG-CE2 4.25Å; F1747-F1783 HydrophobicContact CG-CG 4.28Å; F1747-F1783 HydrophobicContact CZ-CB 3.86Å; I1750-F1783 HydrophobicContact CD1-CD1 4.2Å; I1750-F1783 HydrophobicContact CD1-CE1 3.54Å; I1750-F1783 HydrophobicContact CD1-CZ 4.04Å; I1750-F1783 HydrophobicContact CG2-CB 4.49Å; I1750-F1783 HydrophobicContact CG2-CD1 3.84Å; I1750-F1783 HydrophobicContact CG2-CD2 4.14Å; I1750-F1783 HydrophobicContact CG2-CE1 3.95Å; I1750-F1783 HydrophobicContact CG2-CE2 4.23Å; I1750-F1783 HydrophobicContact CG2-CG 3.92Å; I1750-F1783 HydrophobicContact CG2-CZ 4.12Å; V1759-F1783 HydrophobicContact CG1-CD1 4.39Å; F1783-T1785 PolarHBondContact O-N 3.25Å; F1783-V1802 HydrophobicContact CE1-CG1 4.06Å; F1783-V1802 HydrophobicContact CE1-CG2 3.93Å; F1783-V1802 HydrophobicContact CE2-CG2 4.18Å; F1783-V1802 HydrophobicContact CZ-CB 4.1Å; F1783-V1802 HydrophobicContact CZ-CG1 3.83Å; F1783-V1802 HydrophobicContact CZ-CG2 3.73Å; F1783-L1856 HydrophobicContact CD1-CD2 3.65Å; F1783-L1856 HydrophobicContact CE1-CD2 3.79Å |
| 1784 | A | 91.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 23.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1800 V1802 W1817 P1850 L1856 | A1784-F1800 HydrophobicContact CB-CD2 4.24Å; A1784-F1800 HydrophobicContact CB-CE2 4.31Å; A1784-V1802 HydrophobicContact CB-CG2 3.71Å; A1784-W1817 HydrophobicContact CB-CZ2 4.23Å; A1784-W1817 PolarHBondContact O-NE1 3.18Å; A1784-P1850 HydrophobicContact CB-CG 4.14Å; A1784-L1856 HydrophobicContact CB-CD2 3.93Å |
| 1785 | T | 91.4 | Very high | 86.5 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | trans | -118.8 | 151.9 | 173.4 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | A1709 P1782 F1783 C1848 F1849 | A1709-T1785 WeakPolarHBondContact CB-O 3.48Å; P1782-T1785 HydrophobicContact CB-CG2 3.99Å; P1782-T1785 WeakPolarHBondContact CD-OG1 3.4Å; P1782-T1785 WeakPolarHBondContact O-CB 3.04Å; P1782-T1785 PolarHBondContact O-N 2.96Å; P1782-T1785 VanDerWaalsContact O-N 3.13Å; P1782-T1785 PolarHBondContact O-OG1 3.29Å; F1783-T1785 PolarHBondContact O-N 3.25Å; T1785-C1848 WeakPolarHBondContact CA-O 3.49Å; T1785-C1848 WeakPolarHBondContact CB-O 3.41Å; T1785-F1849 HydrophobicContact CG2-CB 3.56Å | ||
| 1786 | A | 93.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 162.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1710 R1799 F1800 C1841 N1847 C1848 | E1710-A1786 WeakPolarHBondContact O-CA 3.38Å; E1710-A1786 WeakPolarHBondContact O-CB 3.4Å; A1786-R1799 VanDerWaalsContact CB-C 3.48Å; A1786-F1800 HydrophobicContact CB-CB 4.26Å; A1786-F1800 HydrophobicContact CB-CD1 3.92Å; A1786-C1841 HydrophobicContact CB-CB 3.86Å; A1786-N1847 CarbonylContact O-C 3.58Å; A1786-N1847 WeakPolarHBondContact O-CA 3.26Å; A1786-N1847 WeakPolarHBondContact O-CB 3.49Å; A1786-C1848 PolarHBondContact N-O 3.26Å; A1786-C1848 PolarHBondContact O-N 2.89Å |
| 1787 | G | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1710 F1711 Y1712 G1798 C1841 G1846 | E1710-G1787 PolarHBondContact O-N 2.79Å; F1711-G1787 CarbonylContact C-O 3.55Å; F1711-G1787 WeakPolarHBondContact CA-O 3.49Å; Y1712-G1787 PolarHBondContact N-O 3.13Å; G1787-G1798 WeakPolarHBondContact O-CA 3.11Å; G1787-C1841 CarbonylContact C-O 3.51Å; G1787-C1841 WeakPolarHBondContact CA-O 3.27Å; G1787-G1846 CarbonylContact C-O 3.58Å; G1787-G1846 WeakPolarHBondContact CA-O 3.19Å |
| 1788 | D | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 172.8 | 172.1 | 64 | 62.5 | 0 | 0 | 0 | 112.3 | Y1712 Y1790 A1796 Q1797 G1798 G1842 G1843 C1845 G1846 | Y1712-D1788 HydrophobicContact CD1-CB 4.48Å; D1788-Y1790 WeakPolarHBondContact OD1-CB 2.99Å; D1788-Y1790 PolarHBondContact OD1-N 2.9Å; D1788-A1796 WeakPolarHBondContact OD2-CA 3.12Å; D1788-Q1797 PolarHBondContact OD2-N 2.89Å; D1788-G1798 PolarHBondContact OD2-N 2.94Å; D1788-G1842 WeakPolarHBondContact OD1-CA 3.43Å; D1788-G1842 WeakPolarHBondContact OD2-CA 3.33Å; D1788-G1843 PolarHBondContact OD1-N 2.8Å; D1788-C1845 CarbonylContact O-C 3.47Å; D1788-C1845 WeakPolarHBondContact O-CA 3.44Å; D1788-C1845 PolarHBondContact O-N 2.8Å; D1788-G1846 PolarHBondContact N-O 2.94Å; D1788-G1846 PolarHBondContact O-N 3.01Å |
| 1789 | C | 89 | Confident | 88.3 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | trans | -112.4 | 26.5 | 167.6 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | R1715 E1737 G1843 C1845 | R1715-C1789 VanDerWaalsContact CB-O 3.28Å; R1715-C1789 WeakPolarHBondContact CB-O 3.32Å; R1715-C1789 WeakPolarHBondContact CG-O 3.29Å; E1737-C1789 HydrophobicContact CB-CB 4.28Å; E1737-C1789 HydrophobicContact CG-CB 3.89Å; C1789-G1843 CarbonylContact C-O 3.54Å; C1789-G1843 WeakPolarHBondContact CA-O 3.36Å; C1789-C1845 HydrophobicContact CB-CB 4.2Å; C1789-C1845 WeakPolarHBondContact CB-SG 3.48Å; C1789-C1845 WeakPolarHBondContact SG-CA 3.47Å; C1789-C1845 WeakPolarHBondContact SG-CB 3.49Å; C1789-C1845 CovalentContact SG-SG 2.05Å; C1789-C1845 PolarHBondContact SG-SG 3.09Å | ||
| 1790 | Y | 88.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -70.1 | -47 | -161.9 | -173.1 | -112.6 | 0 | 0 | 0 | 113.7 | Y1712 K1714 L1716 D1788 C1795 Q1797 G1843 | Y1712-Y1790 HydrophobicContact CD1-CD2 4.31Å; Y1712-Y1790 AromaticContact CE1-CD2 3.77Å; Y1712-Y1790 HydrophobicContact CE1-CD2 3.77Å; Y1712-Y1790 HydrophobicContact CE1-CE2 4.13Å; K1714-Y1790 WeakPolarHBondContact O-CA 3.29Å; K1714-Y1790 WeakPolarHBondContact O-CD2 3.27Å; L1716-Y1790 HydrophobicContact CD1-CD1 4.03Å; L1716-Y1790 HydrophobicContact CD1-CE1 3.65Å; L1716-Y1790 HydrophobicContact CD1-CE2 4.33Å; L1716-Y1790 HydrophobicContact CD2-CE2 4.01Å; L1716-Y1790 HydrophobicContact CG-CD1 4.41Å; L1716-Y1790 HydrophobicContact CG-CD2 4.2Å; L1716-Y1790 HydrophobicContact CG-CE1 4.05Å; L1716-Y1790 HydrophobicContact CG-CE2 3.8Å; L1716-Y1790 PolarHBondContact N-O 3.28Å; L1716-Y1790 VanDerWaalsContact N-O 3.09Å; D1788-Y1790 WeakPolarHBondContact OD1-CB 2.99Å; D1788-Y1790 PolarHBondContact OD1-N 2.9Å; Y1790-C1795 HydrophobicContact CD1-CB 4.34Å; Y1790-C1795 WeakPolarHBondContact CD1-O 3.43Å; Y1790-Q1797 HydrophobicContact CD1-CG 3.49Å; Y1790-Q1797 VanDerWaalsContact CD1-CG 3.49Å; Y1790-Q1797 HydrophobicContact CD2-CG 4.03Å; Y1790-Q1797 HydrophobicContact CE1-CG 3.79Å; Y1790-Q1797 HydrophobicContact CE2-CG 4.31Å; Y1790-Q1797 HydrophobicContact CG-CB 4.49Å; Y1790-Q1797 HydrophobicContact CG-CG 3.6Å; Y1790-G1843 PolarHBondContact N-O 3.05Å |
| 1791 | S | 83.6 | Confident | 89 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | trans | -159.1 | 154.4 | -175.5 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | S1719 S1721 V1793 G1843 F1844 | S1719-S1791 PolarHBondContact O-OG 2.87Å; S1721-S1791 PolarHBondContact O-OG 2.62Å; S1791-V1793 WeakPolarHBondContact OG-CG2 3.46Å; S1791-G1843 CarbonylContact O-C 3.55Å; S1791-G1843 VanDerWaalsContact O-CA 3.27Å; S1791-G1843 WeakPolarHBondContact O-CA 3.35Å; S1791-F1844 PolarHBondContact O-N 2.83Å | ||
| 1792 | A | 78.7 | Confident | 89.2 | Confident | 24 Ų | 24 | 20.1 Ų | 20.1 | 20% | 0.198 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -85.7 | -3.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1719 L1823 F1844 | S1719-A1792 VanDerWaalsContact O-CB 3.28Å; S1719-A1792 WeakPolarHBondContact O-CB 3.34Å; S1719-A1792 PolarHBondContact O-N 3.46Å; A1792-L1823 HydrophobicContact CB-CD1 3.87Å; A1792-F1844 HydrophobicContact CB-CB 4.08Å; A1792-F1844 HydrophobicContact CB-CD2 4.03Å; A1792-F1844 HydrophobicContact CB-CG 4.36Å |
| 1793 | V | 79.6 | Confident | 89.3 | Confident | 59 Ų | 59 | 19.9 Ų | 19.9 | 36% | 0.358 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -103.8 | 173.5 | 170.4 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | C1722 S1791 C1795 | C1722-V1793 HydrophobicContact CB-CG2 3.86Å; S1791-V1793 WeakPolarHBondContact OG-CG2 3.46Å; V1793-C1795 VanDerWaalsContact C-N 3.28Å; V1793-C1795 HydrophobicContact CG2-CB 4.39Å; V1793-C1795 PolarHBondContact O-N 3.49Å |
| 1794 | R | 80.5 | Confident | 89.3 | Confident | 202 Ų | 202 | 19.8 Ų | 19.8 | 76% | 0.762 | 9% | 0.093 | S | C | * | . | S | Bend | trans | -64.9 | 80.6 | -179.6 | -69.1 | -174.3 | 177.6 | -176.3 | -0.9 | 112 | Y1825 | R1794-Y1825 HydrophobicContact CB-CD1 4.34Å; R1794-Y1825 HydrophobicContact CB-CE1 4.39Å; R1794-Y1825 HydrophobicContact CB-CG 4.44Å; R1794-Y1825 HydrophobicContact CG-CD2 4Å; R1794-Y1825 HydrophobicContact CG-CE2 4.19Å; R1794-Y1825 HydrophobicContact CG-CG 4.2Å |
| 1795 | C | 84.9 | Confident | 89.1 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | trans | -144 | 27.2 | -169.6 | -153 | 0 | 0 | 0 | 0 | 113.3 | C1722 Y1790 V1793 Q1797 | C1722-C1795 WeakPolarHBondContact CA-SG 3.17Å; C1722-C1795 HydrophobicContact CB-CB 3.66Å; C1722-C1795 WeakPolarHBondContact CB-SG 3.46Å; C1722-C1795 WeakPolarHBondContact SG-CB 3.02Å; C1722-C1795 CovalentContact SG-SG 2.03Å; C1722-C1795 PolarHBondContact SG-SG 3.48Å; Y1790-C1795 HydrophobicContact CD1-CB 4.34Å; Y1790-C1795 WeakPolarHBondContact CD1-O 3.43Å; V1793-C1795 VanDerWaalsContact C-N 3.28Å; V1793-C1795 HydrophobicContact CG2-CB 4.39Å; V1793-C1795 PolarHBondContact O-N 3.49Å; C1795-Q1797 PolarHBondContact O-NE2 2.98Å | ||
| 1796 | A | 89.4 | Confident | 88.7 | Confident | 8 Ų | 8 | 28.3 Ų | 28.3 | 7% | 0.066 | 15% | 0.147 | C | C | . | . | trans | -55.4 | 138.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1788 Y1825 V1840 | D1788-A1796 WeakPolarHBondContact OD2-CA 3.12Å; A1796-Y1825 HydrophobicContact CB-CD1 3.95Å; A1796-V1840 HydrophobicContact CB-CG1 3.88Å; A1796-V1840 VanDerWaalsContact O-CG1 3.24Å; A1796-V1840 WeakPolarHBondContact O-CG1 3.06Å | ||
| 1797 | Q | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -118.5 | -26.6 | -179.6 | -60.9 | -50.8 | -43.9 | 0 | 0 | 113.1 | Y1712 A1726 R1728 D1788 Y1790 C1795 R1799 | Y1712-Q1797 HydrophobicContact CD1-CB 3.47Å; Y1712-Q1797 VanDerWaalsContact CD1-CB 3.47Å; Y1712-Q1797 HydrophobicContact CD1-CG 4.15Å; Y1712-Q1797 HydrophobicContact CE1-CB 3.87Å; Y1712-Q1797 HydrophobicContact CE1-CG 4.11Å; Y1712-Q1797 HydrophobicContact CG-CB 3.88Å; A1726-Q1797 PolarHBondContact O-NE2 3.44Å; R1728-Q1797 VanDerWaalsContact CA-OE1 3.23Å; D1788-Q1797 PolarHBondContact OD2-N 2.89Å; Y1790-Q1797 HydrophobicContact CD1-CG 3.49Å; Y1790-Q1797 VanDerWaalsContact CD1-CG 3.49Å; Y1790-Q1797 HydrophobicContact CD2-CG 4.03Å; Y1790-Q1797 HydrophobicContact CE1-CG 3.79Å; Y1790-Q1797 HydrophobicContact CE2-CG 4.31Å; Y1790-Q1797 HydrophobicContact CG-CB 4.49Å; Y1790-Q1797 HydrophobicContact CG-CG 3.6Å; C1795-Q1797 PolarHBondContact O-NE2 2.98Å; Q1797-R1799 WeakPolarHBondContact O-CD 3.22Å; Q1797-R1799 WeakPolarHBondContact O-CG 3.34Å; Q1797-R1799 PolarHBondContact O-NE 3.3Å | ||
| 1798 | G | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 141.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | G1787 D1788 V1840 C1841 | G1787-G1798 WeakPolarHBondContact O-CA 3.11Å; D1788-G1798 PolarHBondContact OD2-N 2.94Å; G1798-V1840 CarbonylContact O-C 3.52Å; G1798-V1840 VanDerWaalsContact O-CA 3.28Å; G1798-V1840 WeakPolarHBondContact O-CA 3.38Å; G1798-V1840 WeakPolarHBondContact O-CG1 3.06Å; G1798-C1841 CarbonylContact C-O 3.56Å; G1798-C1841 WeakPolarHBondContact CA-O 3.42Å; G1798-C1841 PolarHBondContact N-O 2.58Å; G1798-C1841 PolarHBondContact O-N 2.89Å |
| 1799 | R | 94.1 | Very high | 88 | Confident | 81 Ų | 81 | 30.1 Ų | 30.1 | 31% | 0.306 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 150.4 | -166.4 | -72.6 | 153.9 | -161.9 | -125.9 | -5.9 | 113 | F1708 E1710 A1786 Q1797 G1839 V1840 | F1708-R1799 HydrophobicContact CE2-CB 3.8Å; F1708-R1799 HydrophobicContact CZ-CB 4.23Å; E1710-R1799 WeakPolarHBondContact CA-O 3.37Å; E1710-R1799 HydrophobicContact CB-CB 4.47Å; E1710-R1799 VanDerWaalsContact CB-O 3.31Å; E1710-R1799 WeakPolarHBondContact CB-O 3.28Å; E1710-R1799 PolarHBondContact N-O 3.22Å; E1710-R1799 PolarHBondContact O-N 3.3Å; A1786-R1799 VanDerWaalsContact CB-C 3.48Å; Q1797-R1799 WeakPolarHBondContact O-CD 3.22Å; Q1797-R1799 WeakPolarHBondContact O-CG 3.34Å; Q1797-R1799 PolarHBondContact O-NE 3.3Å; R1799-G1839 CarbonylContact C-O 3.5Å; R1799-G1839 VanDerWaalsContact CA-O 3.3Å; R1799-G1839 WeakPolarHBondContact CA-O 3.33Å; R1799-V1840 HydrophobicContact CG-CG2 4.44Å |
| 1800 | F | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 157.8 | 163.6 | 73.8 | -99.5 | 0 | 0 | 0 | 111.7 | F1708 A1784 A1786 V1802 W1817 V1828 V1837 V1838 G1839 | F1708-F1800 CarbonylContact O-C 3.53Å; F1708-F1800 VanDerWaalsContact O-CA 3.26Å; F1708-F1800 WeakPolarHBondContact O-CA 3.42Å; F1708-F1800 WeakPolarHBondContact O-CB 3.42Å; A1784-F1800 HydrophobicContact CB-CD2 4.24Å; A1784-F1800 HydrophobicContact CB-CE2 4.31Å; A1786-F1800 HydrophobicContact CB-CB 4.26Å; A1786-F1800 HydrophobicContact CB-CD1 3.92Å; F1800-V1802 HydrophobicContact CD2-CG2 4.18Å; F1800-V1802 HydrophobicContact CE2-CG2 4.36Å; F1800-W1817 AromaticContact CE1-CD1 3.77Å; F1800-W1817 AromaticContact CE1-NE1 3.49Å; F1800-W1817 AromaticContact CE2-CZ2 3.89Å; F1800-W1817 HydrophobicContact CE2-CZ2 3.89Å; F1800-W1817 AromaticContact CE2-NE1 3.94Å; F1800-W1817 AromaticContact CZ-CD1 3.83Å; F1800-W1817 HydrophobicContact CZ-CD2 4.15Å; F1800-W1817 AromaticContact CZ-CE2 3.42Å; F1800-W1817 VanDerWaalsContact CZ-CE2 3.42Å; F1800-W1817 HydrophobicContact CZ-CG 4.39Å; F1800-W1817 AromaticContact CZ-CZ2 3.74Å; F1800-W1817 HydrophobicContact CZ-CZ2 3.74Å; F1800-W1817 AromaticContact CZ-NE1 3.19Å; F1800-V1828 HydrophobicContact CE1-CG2 4.1Å; F1800-V1828 HydrophobicContact CZ-CG1 4.09Å; F1800-V1828 HydrophobicContact CZ-CG2 3.88Å; F1800-V1837 HydrophobicContact CE2-CG1 4.21Å; F1800-V1838 WeakPolarHBondContact O-CA 3.34Å; F1800-V1838 WeakPolarHBondContact O-CG1 3.48Å; F1800-G1839 PolarHBondContact N-O 3.22Å; F1800-G1839 PolarHBondContact O-N 3.35Å |
| 1801 | S | 93 | Very high | 88.1 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 134.9 | 176 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | N1707 F1708 | N1707-S1801 CarbonylContact C-O 3.46Å; N1707-S1801 WeakPolarHBondContact CA-O 3.15Å; N1707-S1801 PolarHBondContact N-O 3.26Å; F1708-S1801 VanDerWaalsContact CE1-CB 3.42Å; F1708-S1801 PolarHBondContact N-O 2.89Å; F1708-S1801 PolarHBondContact O-N 2.98Å |
| 1802 | V | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.2 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 106.5 | F1783 A1784 F1800 L1804 V1811 V1836 V1837 | F1783-V1802 HydrophobicContact CE1-CG1 4.06Å; F1783-V1802 HydrophobicContact CE1-CG2 3.93Å; F1783-V1802 HydrophobicContact CE2-CG2 4.18Å; F1783-V1802 HydrophobicContact CZ-CB 4.1Å; F1783-V1802 HydrophobicContact CZ-CG1 3.83Å; F1783-V1802 HydrophobicContact CZ-CG2 3.73Å; A1784-V1802 HydrophobicContact CB-CG2 3.71Å; F1800-V1802 HydrophobicContact CD2-CG2 4.18Å; F1800-V1802 HydrophobicContact CE2-CG2 4.36Å; V1802-L1804 HydrophobicContact CG1-CD1 4.44Å; V1802-L1804 HydrophobicContact CG1-CD2 4.07Å; V1802-L1804 HydrophobicContact CG1-CG 3.99Å; V1802-V1811 HydrophobicContact CG1-CG2 3.97Å; V1802-V1836 CarbonylContact O-C 3.56Å; V1802-V1836 WeakPolarHBondContact O-CA 3.11Å; V1802-V1836 WeakPolarHBondContact O-CG1 3.31Å; V1802-V1837 HydrophobicContact CB-CB 4.35Å; V1802-V1837 PolarHBondContact N-O 2.77Å; V1802-V1837 PolarHBondContact O-N 2.98Å |
| 1803 | N | 91.7 | Very high | 88.6 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 104.8 | 177.8 | 172.2 | 21 | 0 | 0 | 0 | 109.9 | Q1701 N1707 R1805 V1836 | Q1701-N1803 PolarHBondContact OE1-ND2 2.68Å; Q1701-N1803 VanDerWaalsContact OE1-ND2 3.14Å; N1707-N1803 PolarHBondContact ND2-O 3.21Å; N1707-N1803 VanDerWaalsContact ND2-O 3.15Å; N1707-N1803 PolarHBondContact OD1-N 2.02Å; N1707-N1803 PolarHBondContact OD1-O 3.19Å; N1803-R1805 WeakPolarHBondContact OD1-CB 3.24Å; N1803-R1805 PolarHBondContact OD1-N 2.98Å; N1803-R1805 VanDerWaalsContact OD1-N 3.16Å; N1803-V1836 HydrophobicContact CB-CG1 4.44Å; N1803-V1836 HydrophobicContact CB-CG2 4.29Å; N1803-V1836 WeakPolarHBondContact OD1-CG2 3.47Å |
| 1804 | L | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -101.5 | 9 | -178.1 | -51.4 | -177.8 | 0 | 0 | 0 | 113 | L1698 L1700 I1750 V1802 G1806 T1807 F1809 V1811 E1835 L1858 | L1698-L1804 HydrophobicContact CD2-CD2 4.33Å; L1700-L1804 HydrophobicContact CD2-CD2 3.56Å; I1750-L1804 HydrophobicContact CD1-CD2 4.23Å; V1802-L1804 HydrophobicContact CG1-CD1 4.44Å; V1802-L1804 HydrophobicContact CG1-CD2 4.07Å; V1802-L1804 HydrophobicContact CG1-CG 3.99Å; L1804-G1806 PolarHBondContact O-N 3.09Å; L1804-T1807 VanDerWaalsContact O-CB 3.31Å; L1804-T1807 WeakPolarHBondContact O-CB 3.22Å; L1804-T1807 VanDerWaalsContact O-CG2 3.26Å; L1804-T1807 WeakPolarHBondContact O-CG2 3.35Å; L1804-T1807 PolarHBondContact O-N 2.02Å; L1804-T1807 PolarHBondContact O-OG1 2.75Å; L1804-F1809 WeakPolarHBondContact CB-O 3.41Å; L1804-F1809 HydrophobicContact CD1-CB 4.39Å; L1804-V1811 HydrophobicContact CD1-CG2 3.79Å; L1804-E1835 WeakPolarHBondContact CB-O 3.32Å; L1804-E1835 PolarHBondContact N-O 3.47Å; L1804-L1858 HydrophobicContact CD1-CD1 4.35Å; L1804-L1858 HydrophobicContact CD1-CD2 3.57Å | ||
| 1805 | R | 85.8 | Confident | 89.1 | Confident | 115 Ų | 115 | 29.8 Ų | 29.8 | 43% | 0.434 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 134.3 | -176.5 | -77.9 | 179 | 159.7 | 162.2 | -6.1 | 112 | Q1701 N1803 T1807 N1831 E1835 V1836 | Q1701-R1805 PolarHBondContact NE2-O 3.24Å; N1803-R1805 WeakPolarHBondContact OD1-CB 3.24Å; N1803-R1805 PolarHBondContact OD1-N 2.98Å; N1803-R1805 VanDerWaalsContact OD1-N 3.16Å; R1805-T1807 PolarHBondContact O-N 3.28Å; R1805-N1831 PolarHBondContact NH2-ND2 3.11Å; R1805-E1835 HydrophobicContact CG-CB 3.73Å; R1805-E1835 HydrophobicContact CG-CG 4.36Å; R1805-E1835 IonicContact NE-OE2 2.67Å; R1805-V1836 HydrophobicContact CG-CG2 3.93Å |
| 1806 | G | 84.1 | Confident | 89.1 | Confident | 77 Ų | 77 | 36.3 Ų | 36.3 | 79% | 0.794 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 1.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1804 | L1804-G1806 PolarHBondContact O-N 3.09Š|
| 1807 | T | 86.8 | Confident | 89.1 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13 | 175.3 | 70.2 | 0 | 0 | 0 | 0 | 113.3 | L1698 T1699 L1804 R1805 F1809 | L1698-T1807 HydrophobicContact CD2-CG2 4.36Å; L1698-T1807 HydrophobicContact CG-CG2 4.22Å; T1699-T1807 VanDerWaalsContact O-CG2 3.29Å; T1699-T1807 WeakPolarHBondContact O-CG2 3.44Å; L1804-T1807 VanDerWaalsContact O-CB 3.31Å; L1804-T1807 WeakPolarHBondContact O-CB 3.22Å; L1804-T1807 VanDerWaalsContact O-CG2 3.26Å; L1804-T1807 WeakPolarHBondContact O-CG2 3.35Å; L1804-T1807 PolarHBondContact O-N 2.02Å; L1804-T1807 PolarHBondContact O-OG1 2.75Å; R1805-T1807 PolarHBondContact O-N 3.28Å; T1807-F1809 PolarHBondContact OG1-N 3.01Å |
| 1808 | G | 86.3 | Confident | 88.8 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 25% | 0.247 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 2.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1861 | G1808-V1861 PolarHBondContact O-N 3.06Š|
| 1809 | F | 90.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.2 | 177.8 | -63.7 | -88.9 | 0 | 0 | 0 | 113.5 | L1682 I1684 L1698 I1752 L1754 L1757 L1804 T1807 L1858 E1859 V1860 | L1682-F1809 HydrophobicContact CD1-CE1 3.88Å; L1682-F1809 HydrophobicContact CD1-CE2 3.82Å; L1682-F1809 HydrophobicContact CD1-CZ 3.36Å; I1684-F1809 HydrophobicContact CD1-CE2 3.93Å; I1684-F1809 HydrophobicContact CD1-CZ 4.29Å; L1698-F1809 HydrophobicContact CD1-CD2 3.57Å; L1698-F1809 HydrophobicContact CD1-CE2 3.52Å; L1698-F1809 HydrophobicContact CD2-CB 4.27Å; L1698-F1809 HydrophobicContact CD2-CD2 3.6Å; L1698-F1809 HydrophobicContact CD2-CE2 4.2Å; L1698-F1809 HydrophobicContact CD2-CG 4.16Å; L1698-F1809 HydrophobicContact CG-CD2 4.25Å; I1752-F1809 HydrophobicContact CD1-CD1 4.36Å; I1752-F1809 HydrophobicContact CD1-CE1 3.85Å; I1752-F1809 HydrophobicContact CD1-CE2 4.14Å; I1752-F1809 HydrophobicContact CD1-CZ 3.69Å; L1754-F1809 HydrophobicContact CD2-CZ 4.07Å; L1757-F1809 HydrophobicContact CD2-CE1 3.88Å; L1804-F1809 WeakPolarHBondContact CB-O 3.41Å; L1804-F1809 HydrophobicContact CD1-CB 4.39Å; T1807-F1809 PolarHBondContact OG1-N 3.01Å; F1809-L1858 HydrophobicContact CB-CD1 4.29Å; F1809-L1858 HydrophobicContact CD1-CB 4.03Å; F1809-L1858 HydrophobicContact CD1-CD1 4.35Å; F1809-L1858 HydrophobicContact CG-CD1 4.35Å; F1809-E1859 CarbonylContact C-O 3.44Å; F1809-E1859 VanDerWaalsContact CA-O 3.3Å; F1809-E1859 WeakPolarHBondContact CA-O 3.32Å; F1809-V1860 HydrophobicContact CD1-CG2 4.26Å; F1809-V1860 HydrophobicContact CE1-CG2 3.93Å |
| 1810 | R | 90 | Very high | 88 | Confident | 73 Ų | 73 | 45 Ų | 45 | 28% | 0.275 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 162.1 | 164.2 | 64.4 | 170.2 | 177.6 | -111.8 | -3.8 | 110.7 | N1833 E1835 L1858 E1859 V1861 | R1810-N1833 WeakPolarHBondContact CB-O 3.32Å; R1810-N1833 WeakPolarHBondContact CD-O 3.23Å; R1810-E1835 HydrophobicContact CB-CG 4.26Å; R1810-L1858 CarbonylContact O-C 3.58Å; R1810-L1858 VanDerWaalsContact O-CA 3.3Å; R1810-L1858 WeakPolarHBondContact O-CA 3.05Å; R1810-E1859 HydrophobicContact CG-CB 3.86Å; R1810-E1859 IonicContact CZ-OE2 2.8Å; R1810-E1859 PolarHBondContact N-O 2.89Å; R1810-E1859 IonicContact NE-OE2 3.09Å; R1810-E1859 PolarHBondContact NE-OE2 2.85Å; R1810-E1859 IonicContact NH2-OE2 3.61Å; R1810-E1859 PolarHBondContact NH2-OE2 2.75Å; R1810-E1859 PolarHBondContact O-N 3.4Å; R1810-V1861 HydrophobicContact CB-CG2 4.28Å; R1810-V1861 HydrophobicContact CG-CG2 4.35Å |
| 1811 | V | 90.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 128.2 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | V1802 L1804 T1815 W1817 S1834 V1837 L1856 L1858 | V1802-V1811 HydrophobicContact CG1-CG2 3.97Å; L1804-V1811 HydrophobicContact CD1-CG2 3.79Å; V1811-T1815 HydrophobicContact CG1-CG2 4.26Å; V1811-W1817 HydrophobicContact CG1-CH2 4.28Å; V1811-S1834 PolarHBondContact N-O 3.39Å; V1811-V1837 HydrophobicContact CB-CG2 3.98Å; V1811-V1837 HydrophobicContact CG1-CG2 4.45Å; V1811-V1837 HydrophobicContact CG2-CG2 3.88Å; V1811-L1856 HydrophobicContact CG1-CD1 3.79Å; V1811-L1856 HydrophobicContact CG2-CD1 4.35Å; V1811-L1858 HydrophobicContact CG2-CD2 4.13Å |
| 1812 | S | 89.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | trans | -62.6 | 143.6 | -179.3 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | L1814 T1815 R1830 L1857 E1859 | S1812-L1814 PolarHBondContact O-N 2.79Å; S1812-L1814 PolarHBondContact OG-N 3.46Å; S1812-T1815 WeakPolarHBondContact O-CB 2.95Å; S1812-T1815 PolarHBondContact O-N 2.96Å; S1812-R1830 PolarHBondContact O-NH1 3.16Å; S1812-L1857 WeakPolarHBondContact CB-O 3.13Å; S1812-L1857 PolarHBondContact N-O 3.18Å; S1812-E1859 WeakPolarHBondContact CA-OE1 3.03Å; S1812-E1859 WeakPolarHBondContact CB-OE1 3.45Å; S1812-E1859 PolarHBondContact OG-OE1 3.48Å | ||
| 1813 | Q | 82 | Confident | 85.5 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 41% | 0.407 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.9 | 173.4 | -57.7 | -55.5 | -15.1 | 0 | 0 | 112.7 | T1815 S1834 | Q1813-T1815 VanDerWaalsContact C-N 3.33Å; Q1813-T1815 PolarHBondContact O-N 3.24Å; Q1813-S1834 PolarHBondContact NE2-OG 2.05Å |
| 1814 | L | 82.4 | Confident | 85.1 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 62% | 0.623 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -25.2 | 177.4 | -59.2 | 177.8 | 0 | 0 | 0 | 113.2 | S1812 K1816 L1857 | S1812-L1814 PolarHBondContact O-N 2.79Å; S1812-L1814 PolarHBondContact OG-N 3.46Å; L1814-K1816 PolarHBondContact O-N 3.36Å; L1814-L1857 HydrophobicContact CB-CD2 4.33Å; L1814-L1857 HydrophobicContact CD1-CD2 4.28Å |
| 1815 | T | 88.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -61.9 | 128.6 | 174.4 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | V1811 S1812 Q1813 W1817 R1830 P1850 L1856 L1857 | V1811-T1815 HydrophobicContact CG1-CG2 4.26Å; S1812-T1815 WeakPolarHBondContact O-CB 2.95Å; S1812-T1815 PolarHBondContact O-N 2.96Å; Q1813-T1815 VanDerWaalsContact C-N 3.33Å; Q1813-T1815 PolarHBondContact O-N 3.24Å; T1815-W1817 HydrophobicContact CG2-CE3 4.41Å; T1815-W1817 HydrophobicContact CG2-CH2 3.87Å; T1815-W1817 HydrophobicContact CG2-CZ2 4.42Å; T1815-W1817 HydrophobicContact CG2-CZ3 3.86Å; T1815-R1830 PolarHBondContact O-NH2 3.37Å; T1815-P1850 HydrophobicContact CG2-CB 4.4Å; T1815-L1856 HydrophobicContact CG2-CD1 3.94Å; T1815-L1857 PolarHBondContact OG1-N 2.05Å; T1815-L1857 VanDerWaalsContact OG1-N 3.11Å; T1815-L1857 PolarHBondContact OG1-O 3.3Å | ||
| 1816 | K | 85.5 | Confident | 85 | Confident | 139 Ų | 139 | 57.5 Ų | 57.5 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | trans | -125.7 | 153.6 | 174.6 | -66.8 | -179.7 | -178.1 | 179.3 | 0 | 109.9 | L1814 P1850 D1851 | L1814-K1816 PolarHBondContact O-N 3.36Å; K1816-P1850 CarbonylContact O-C 3.52Å; K1816-P1850 WeakPolarHBondContact O-CA 3.42Å; K1816-D1851 PolarHBondContact O-N 2.89Å | ||
| 1817 | W | 90 | Very high | 85.2 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 13% | 0.125 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.2 | 172.1 | -77.5 | -103.8 | 0 | 0 | 0 | 109.5 | A1784 F1800 V1811 T1815 T1826 V1828 V1837 F1849 P1850 L1856 | A1784-W1817 HydrophobicContact CB-CZ2 4.23Å; A1784-W1817 PolarHBondContact O-NE1 3.18Å; F1800-W1817 AromaticContact CE1-CD1 3.77Å; F1800-W1817 AromaticContact CE1-NE1 3.49Å; F1800-W1817 AromaticContact CE2-CZ2 3.89Å; F1800-W1817 HydrophobicContact CE2-CZ2 3.89Å; F1800-W1817 AromaticContact CE2-NE1 3.94Å; F1800-W1817 AromaticContact CZ-CD1 3.83Å; F1800-W1817 HydrophobicContact CZ-CD2 4.15Å; F1800-W1817 AromaticContact CZ-CE2 3.42Å; F1800-W1817 VanDerWaalsContact CZ-CE2 3.42Å; F1800-W1817 HydrophobicContact CZ-CG 4.39Å; F1800-W1817 AromaticContact CZ-CZ2 3.74Å; F1800-W1817 HydrophobicContact CZ-CZ2 3.74Å; F1800-W1817 AromaticContact CZ-NE1 3.19Å; V1811-W1817 HydrophobicContact CG1-CH2 4.28Å; T1815-W1817 HydrophobicContact CG2-CE3 4.41Å; T1815-W1817 HydrophobicContact CG2-CH2 3.87Å; T1815-W1817 HydrophobicContact CG2-CZ2 4.42Å; T1815-W1817 HydrophobicContact CG2-CZ3 3.86Å; W1817-T1826 HydrophobicContact CB-CG2 4.37Å; W1817-V1828 HydrophobicContact CB-CG2 4.22Å; W1817-V1828 HydrophobicContact CD2-CG1 4.34Å; W1817-V1828 HydrophobicContact CD2-CG2 4.07Å; W1817-V1828 HydrophobicContact CE3-CG1 4Å; W1817-V1828 HydrophobicContact CE3-CG2 4.3Å; W1817-V1828 HydrophobicContact CG-CG2 4.01Å; W1817-V1828 HydrophobicContact CH2-CG1 4.43Å; W1817-V1828 HydrophobicContact CZ3-CG1 4.06Å; W1817-V1837 HydrophobicContact CH2-CG1 3.8Å; W1817-V1837 HydrophobicContact CZ2-CG1 4.26Å; W1817-V1837 HydrophobicContact CZ3-CG1 4.33Å; W1817-F1849 WeakPolarHBondContact CA-O 3.11Å; W1817-P1850 HydrophobicContact CZ2-CG 4.49Å; W1817-L1856 HydrophobicContact CZ2-CD1 4.44Å |
| 1818 | V | 85.8 | Confident | 85.4 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 35% | 0.345 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.3 | -178.9 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | C1848 F1849 D1851 | V1818-C1848 WeakPolarHBondContact O-CA 3.45Å; V1818-F1849 HydrophobicContact CB-CE2 4.42Å; V1818-F1849 PolarHBondContact N-O 2.88Å; V1818-F1849 PolarHBondContact O-N 2.87Å; V1818-D1851 HydrophobicContact CG2-CB 3.8Å |
| 1819 | E | 89 | Confident | 85.5 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 137.7 | 176 | -41.3 | -168.6 | 114 | 0 | 0 | 110.3 | A1824 Y1825 T1826 | E1819-A1824 HydrophobicContact CB-CB 4.12Å; E1819-Y1825 VanDerWaalsContact OE1-CA 3.31Å; E1819-Y1825 WeakPolarHBondContact OE1-CA 3.03Å; E1819-T1826 WeakPolarHBondContact OE1-CB 3.32Å; E1819-T1826 PolarHBondContact OE1-N 2.82Å; E1819-T1826 PolarHBondContact OE1-OG1 3.21Å |
| 1820 | N | 80.8 | Confident | 85.3 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 115.3 | -179.2 | 166.4 | 69.5 | 0 | 0 | 0 | 110.7 | G1846 N1847 F1849 | N1820-G1846 WeakPolarHBondContact O-CA 3.45Å; N1820-N1847 WeakPolarHBondContact CB-OD1 3.45Å; N1820-N1847 PolarHBondContact N-O 3.44Å; N1820-N1847 PolarHBondContact ND2-OD1 2.94Å; N1820-N1847 PolarHBondContact O-N 2.87Å; N1820-N1847 PolarHBondContact O-OD1 2.87Å; N1820-F1849 HydrophobicContact CB-CE1 3.7Å; N1820-F1849 HydrophobicContact CB-CZ 4.05Å |
| 1821 | G | 78.4 | Confident | 84.9 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.1 | 169.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1822 | H | 68.9 | Low | 84.3 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 69% | 0.685 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.4 | 175.2 | -167.9 | -127 | 0 | 0 | 0 | 109.1 | A1824 | H1822-A1824 PolarHBondContact O-N 2.93Å |
| 1823 | L | 78.2 | Confident | 83.6 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.5 | 37.2 | -169.7 | -54.1 | 169.9 | 0 | 0 | 0 | 112.2 | A1792 G1843 | A1792-L1823 HydrophobicContact CB-CD1 3.87Å; L1823-G1843 WeakPolarHBondContact O-CA 3.36Å |
| 1824 | A | 84.5 | Confident | 83.7 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 151.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1819 H1822 G1842 | E1819-A1824 HydrophobicContact CB-CB 4.12Å; H1822-A1824 PolarHBondContact O-N 2.93Å; A1824-G1842 CarbonylContact C-O 3.55Å; A1824-G1842 VanDerWaalsContact CA-O 3.28Å; A1824-G1842 WeakPolarHBondContact CA-O 3.15Å |
| 1825 | Y | 85.6 | Confident | 83.9 | Confident | 61 Ų | 61 | 63 Ų | 63 | 24% | 0.239 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 135.6 | 178.4 | 173.2 | -112.2 | 0 | 0 | 0 | 111 | R1794 A1796 E1819 C1841 G1842 | R1794-Y1825 HydrophobicContact CB-CD1 4.34Å; R1794-Y1825 HydrophobicContact CB-CE1 4.39Å; R1794-Y1825 HydrophobicContact CB-CG 4.44Å; R1794-Y1825 HydrophobicContact CG-CD2 4Å; R1794-Y1825 HydrophobicContact CG-CE2 4.19Å; R1794-Y1825 HydrophobicContact CG-CG 4.2Å; A1796-Y1825 HydrophobicContact CB-CD1 3.95Å; E1819-Y1825 VanDerWaalsContact OE1-CA 3.31Å; E1819-Y1825 WeakPolarHBondContact OE1-CA 3.03Å; Y1825-C1841 WeakPolarHBondContact O-CA 3.41Å; Y1825-G1842 PolarHBondContact N-O 3.01Å; Y1825-G1842 PolarHBondContact O-N 3Å |
| 1826 | T | 88.6 | Confident | 84 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 17% | 0.166 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 129.7 | -177.6 | -63 | 0 | 0 | 0 | 0 | 111.6 | W1817 E1819 V1828 V1840 C1848 | W1817-T1826 HydrophobicContact CB-CG2 4.37Å; E1819-T1826 WeakPolarHBondContact OE1-CB 3.32Å; E1819-T1826 PolarHBondContact OE1-N 2.82Å; E1819-T1826 PolarHBondContact OE1-OG1 3.21Å; T1826-V1828 HydrophobicContact CG2-CG2 3.73Å; T1826-V1840 WeakPolarHBondContact CA-O 3.1Å; T1826-C1848 HydrophobicContact CG2-CB 4.1Å; T1826-C1848 WeakPolarHBondContact OG1-CB 3.35Å |
| 1827 | E | 87.7 | Confident | 84.2 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 116.4 | 165.2 | -161.9 | -162.3 | 165.4 | 0 | 0 | 109.7 | R1829 G1839 V1840 | E1827-R1829 VanDerWaalsContact CD-NH2 3.26Å; E1827-R1829 IonicContact OE1-CZ 2.94Å; E1827-R1829 IonicContact OE1-NE 3.73Å; E1827-R1829 PolarHBondContact OE1-NE 2.71Å; E1827-R1829 IonicContact OE1-NH2 3.62Å; E1827-R1829 PolarHBondContact OE1-NH2 3.05Å; E1827-R1829 IonicContact OE2-CZ 3.71Å; E1827-R1829 IonicContact OE2-NE 3.4Å; E1827-R1829 IonicContact OE2-NH2 2.72Å; E1827-R1829 PolarHBondContact OE2-NH2 2.74Å; E1827-G1839 CarbonylContact O-C 3.59Å; E1827-G1839 VanDerWaalsContact O-CA 3.29Å; E1827-G1839 WeakPolarHBondContact O-CA 3.44Å; E1827-V1840 PolarHBondContact N-O 3.48Å; E1827-V1840 PolarHBondContact O-N 2.94Å |
| 1828 | V | 90.3 | Very high | 84.3 | Confident | 45 Ų | 45 | 59 Ų | 59 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.5 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | F1800 W1817 T1826 V1837 | F1800-V1828 HydrophobicContact CE1-CG2 4.1Å; F1800-V1828 HydrophobicContact CZ-CG1 4.09Å; F1800-V1828 HydrophobicContact CZ-CG2 3.88Å; W1817-V1828 HydrophobicContact CB-CG2 4.22Å; W1817-V1828 HydrophobicContact CD2-CG1 4.34Å; W1817-V1828 HydrophobicContact CD2-CG2 4.07Å; W1817-V1828 HydrophobicContact CE3-CG1 4Å; W1817-V1828 HydrophobicContact CE3-CG2 4.3Å; W1817-V1828 HydrophobicContact CG-CG2 4.01Å; W1817-V1828 HydrophobicContact CH2-CG1 4.43Å; W1817-V1828 HydrophobicContact CZ3-CG1 4.06Å; T1826-V1828 HydrophobicContact CG2-CG2 3.73Å; V1828-V1837 HydrophobicContact CG1-CG1 3.35Å |
| 1829 | R | 90.1 | Very high | 84.6 | Confident | 153 Ų | 153 | 56.3 Ų | 56.3 | 58% | 0.577 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.7 | 178.5 | -60.9 | -177.1 | -177.5 | 171.9 | 9.5 | 109.6 | E1827 V1837 V1838 | E1827-R1829 VanDerWaalsContact CD-NH2 3.26Å; E1827-R1829 IonicContact OE1-CZ 2.94Å; E1827-R1829 IonicContact OE1-NE 3.73Å; E1827-R1829 PolarHBondContact OE1-NE 2.71Å; E1827-R1829 IonicContact OE1-NH2 3.62Å; E1827-R1829 PolarHBondContact OE1-NH2 3.05Å; E1827-R1829 IonicContact OE2-CZ 3.71Å; E1827-R1829 IonicContact OE2-NE 3.4Å; E1827-R1829 IonicContact OE2-NH2 2.72Å; E1827-R1829 PolarHBondContact OE2-NH2 2.74Å; R1829-V1837 WeakPolarHBondContact O-CA 3.5Å; R1829-V1838 PolarHBondContact N-O 2.78Å; R1829-V1838 PolarHBondContact O-N 2.87Å |
| 1830 | R | 85.6 | Confident | 84.7 | Confident | 78 Ų | 78 | 53.4 Ų | 53.4 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 152.1 | 170.5 | -47.4 | -172.8 | -166.6 | -137.5 | 3.5 | 109.5 | S1812 T1815 V1836 V1837 | S1812-R1830 PolarHBondContact O-NH1 3.16Å; T1815-R1830 PolarHBondContact O-NH2 3.37Å; R1830-V1836 WeakPolarHBondContact CA-O 3.46Å; R1830-V1837 HydrophobicContact CB-CG2 4.29Å; R1830-V1837 HydrophobicContact CG-CG1 4.2Å; R1830-V1837 HydrophobicContact CG-CG2 4Å |
| 1831 | N | 82.2 | Confident | 85.2 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 172.6 | 166.2 | 76.9 | -26 | 0 | 0 | 0 | 111.8 | R1805 S1834 E1835 V1836 | R1805-N1831 PolarHBondContact NH2-ND2 3.11Å; N1831-S1834 WeakPolarHBondContact O-CA 3.34Å; N1831-S1834 PolarHBondContact O-N 3.11Å; N1831-S1834 PolarHBondContact O-OG 3.1Å; N1831-S1834 VanDerWaalsContact OD1-C 3.31Å; N1831-S1834 WeakPolarHBondContact OD1-CA 3.22Å; N1831-S1834 PolarHBondContact OD1-N 2.82Å; N1831-S1834 VanDerWaalsContact OD1-N 3.08Å; N1831-E1835 PolarHBondContact OD1-N 2.86Å; N1831-V1836 HydrophobicContact CB-CB 4.08Å; N1831-V1836 PolarHBondContact N-O 2.89Å; N1831-V1836 PolarHBondContact OD1-N 2.98Å; N1831-V1836 PolarHBondContact OD1-O 2.69Å; N1831-V1836 VanDerWaalsContact OD1-O 3.06Å |
| 1832 | V | 77.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -54.3 | 140.1 | 158.9 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | N1274 S1276 S1834 | N1274-V1832 HydrophobicContact CB-CB 4.42Å; N1274-V1832 HydrophobicContact CB-CG1 4.21Å; N1274-V1832 HydrophobicContact CB-CG2 4.02Å; N1274-V1832 VanDerWaalsContact O-CG2 3.27Å; N1274-V1832 WeakPolarHBondContact O-CG2 3.45Å; N1274-V1832 WeakPolarHBondContact OD1-CA 3.46Å; S1276-V1832 VanDerWaalsContact CB-CG2 3.5Å; S1276-V1832 WeakPolarHBondContact OG-CG2 3.24Å; V1832-S1834 PolarHBondContact O-N 3.29Å; V1832-S1834 VanDerWaalsContact O-N 3.14Å |
| 1833 | N | 75.2 | Confident | 86.1 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 47% | 0.465 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | 68.9 | -17.5 | -165.6 | -46 | -29.6 | 0 | 0 | 0 | 115 | N1274 R1810 E1835 | N1274-N1833 PolarHBondContact ND2-N 3.25Å; R1810-N1833 WeakPolarHBondContact CB-O 3.32Å; R1810-N1833 WeakPolarHBondContact CD-O 3.23Å; N1833-E1835 HydrophobicContact CB-CG 3.76Å; N1833-E1835 WeakPolarHBondContact CB-OE2 3.31Å; N1833-E1835 PolarHBondContact ND2-OE2 3.44Å; N1833-E1835 PolarHBondContact O-N 3.41Å |
| 1834 | S | 84.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | 56.2 | 28.4 | -174.1 | -59 | 0 | 0 | 0 | 0 | 114.6 | V1811 Q1813 N1831 V1832 V1836 | V1811-S1834 PolarHBondContact N-O 3.39Å; Q1813-S1834 PolarHBondContact NE2-OG 2.05Å; N1831-S1834 WeakPolarHBondContact O-CA 3.34Å; N1831-S1834 PolarHBondContact O-N 3.11Å; N1831-S1834 PolarHBondContact O-OG 3.1Å; N1831-S1834 VanDerWaalsContact OD1-C 3.31Å; N1831-S1834 WeakPolarHBondContact OD1-CA 3.22Å; N1831-S1834 PolarHBondContact OD1-N 2.82Å; N1831-S1834 VanDerWaalsContact OD1-N 3.08Å; V1832-S1834 PolarHBondContact O-N 3.29Å; V1832-S1834 VanDerWaalsContact O-N 3.14Å; S1834-V1836 VanDerWaalsContact C-N 3.28Å |
| 1835 | E | 86.2 | Confident | 86.3 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -70 | -26.4 | 166.8 | -61.3 | 166.4 | 101.7 | 0 | 0 | 112.1 | L1804 R1805 R1810 N1831 N1833 | L1804-E1835 WeakPolarHBondContact CB-O 3.32Å; L1804-E1835 PolarHBondContact N-O 3.47Å; R1805-E1835 HydrophobicContact CG-CB 3.73Å; R1805-E1835 HydrophobicContact CG-CG 4.36Å; R1805-E1835 IonicContact NE-OE2 2.67Å; R1810-E1835 HydrophobicContact CB-CG 4.26Å; N1831-E1835 PolarHBondContact OD1-N 2.86Å; N1833-E1835 HydrophobicContact CB-CG 3.76Å; N1833-E1835 WeakPolarHBondContact CB-OE2 3.31Å; N1833-E1835 PolarHBondContact ND2-OE2 3.44Å; N1833-E1835 PolarHBondContact O-N 3.41Å |
| 1836 | V | 89.2 | Confident | 86.4 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 15% | 0.152 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.2 | -178.9 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | V1802 N1803 R1805 R1830 N1831 S1834 V1838 | V1802-V1836 CarbonylContact O-C 3.56Å; V1802-V1836 WeakPolarHBondContact O-CA 3.11Å; V1802-V1836 WeakPolarHBondContact O-CG1 3.31Å; N1803-V1836 HydrophobicContact CB-CG1 4.44Å; N1803-V1836 HydrophobicContact CB-CG2 4.29Å; N1803-V1836 WeakPolarHBondContact OD1-CG2 3.47Å; R1805-V1836 HydrophobicContact CG-CG2 3.93Å; R1830-V1836 WeakPolarHBondContact CA-O 3.46Å; N1831-V1836 HydrophobicContact CB-CB 4.08Å; N1831-V1836 PolarHBondContact N-O 2.89Å; N1831-V1836 PolarHBondContact OD1-N 2.98Å; N1831-V1836 PolarHBondContact OD1-O 2.69Å; N1831-V1836 VanDerWaalsContact OD1-O 3.06Å; S1834-V1836 VanDerWaalsContact C-N 3.28Å; V1836-V1838 HydrophobicContact CG1-CG2 4.36Å |
| 1837 | V | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 126.5 | 177.4 | -174 | 0 | 0 | 0 | 0 | 109 | F1800 V1802 V1811 W1817 V1828 R1829 R1830 | F1800-V1837 HydrophobicContact CE2-CG1 4.21Å; V1802-V1837 HydrophobicContact CB-CB 4.35Å; V1802-V1837 PolarHBondContact N-O 2.77Å; V1802-V1837 PolarHBondContact O-N 2.98Å; V1811-V1837 HydrophobicContact CB-CG2 3.98Å; V1811-V1837 HydrophobicContact CG1-CG2 4.45Å; V1811-V1837 HydrophobicContact CG2-CG2 3.88Å; W1817-V1837 HydrophobicContact CH2-CG1 3.8Å; W1817-V1837 HydrophobicContact CZ2-CG1 4.26Å; W1817-V1837 HydrophobicContact CZ3-CG1 4.33Å; V1828-V1837 HydrophobicContact CG1-CG1 3.35Å; R1829-V1837 WeakPolarHBondContact O-CA 3.5Å; R1830-V1837 HydrophobicContact CB-CG2 4.29Å; R1830-V1837 HydrophobicContact CG-CG1 4.2Å; R1830-V1837 HydrophobicContact CG-CG2 4Å |
| 1838 | V | 91.6 | Very high | 86.8 | Confident | 64 Ų | 64 | 35.1 Ų | 35.1 | 39% | 0.388 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.7 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | F1800 R1829 V1836 | F1800-V1838 WeakPolarHBondContact O-CA 3.34Å; F1800-V1838 WeakPolarHBondContact O-CG1 3.48Å; R1829-V1838 PolarHBondContact N-O 2.78Å; R1829-V1838 PolarHBondContact O-N 2.87Å; V1836-V1838 HydrophobicContact CG1-CG2 4.36Å |
| 1839 | G | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1799 F1800 E1827 | R1799-G1839 CarbonylContact C-O 3.5Å; R1799-G1839 VanDerWaalsContact CA-O 3.3Å; R1799-G1839 WeakPolarHBondContact CA-O 3.33Å; F1800-G1839 PolarHBondContact N-O 3.22Å; F1800-G1839 PolarHBondContact O-N 3.35Å; E1827-G1839 CarbonylContact O-C 3.59Å; E1827-G1839 VanDerWaalsContact O-CA 3.29Å; E1827-G1839 WeakPolarHBondContact O-CA 3.44Å |
| 1840 | V | 92.3 | Very high | 86.7 | Confident | 40 Ų | 40 | 28 Ų | 28 | 24% | 0.242 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.6 | 170 | -169.1 | 0 | 0 | 0 | 0 | 107.2 | A1796 G1798 R1799 T1826 E1827 | A1796-V1840 HydrophobicContact CB-CG1 3.88Å; A1796-V1840 VanDerWaalsContact O-CG1 3.24Å; A1796-V1840 WeakPolarHBondContact O-CG1 3.06Å; G1798-V1840 CarbonylContact O-C 3.52Å; G1798-V1840 VanDerWaalsContact O-CA 3.28Å; G1798-V1840 WeakPolarHBondContact O-CA 3.38Å; G1798-V1840 WeakPolarHBondContact O-CG1 3.06Å; R1799-V1840 HydrophobicContact CG-CG2 4.44Å; T1826-V1840 WeakPolarHBondContact CA-O 3.1Å; E1827-V1840 PolarHBondContact N-O 3.48Å; E1827-V1840 PolarHBondContact O-N 2.94Å |
| 1841 | C | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.1 | -173 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | A1786 G1787 G1798 Y1825 C1848 | A1786-C1841 HydrophobicContact CB-CB 3.86Å; G1787-C1841 CarbonylContact C-O 3.51Å; G1787-C1841 WeakPolarHBondContact CA-O 3.27Å; G1798-C1841 CarbonylContact C-O 3.56Å; G1798-C1841 WeakPolarHBondContact CA-O 3.42Å; G1798-C1841 PolarHBondContact N-O 2.58Å; G1798-C1841 PolarHBondContact O-N 2.89Å; Y1825-C1841 WeakPolarHBondContact O-CA 3.41Å; C1841-C1848 HydrophobicContact CB-CB 3.54Å; C1841-C1848 WeakPolarHBondContact CB-SG 3.36Å; C1841-C1848 WeakPolarHBondContact SG-CB 3.04Å; C1841-C1848 CovalentContact SG-SG 2.02Å; C1841-C1848 PolarHBondContact SG-SG 3.34Å |
| 1842 | G | 85.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -156.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1788 A1824 Y1825 G1846 | D1788-G1842 WeakPolarHBondContact OD1-CA 3.43Å; D1788-G1842 WeakPolarHBondContact OD2-CA 3.33Å; A1824-G1842 CarbonylContact C-O 3.55Å; A1824-G1842 VanDerWaalsContact CA-O 3.28Å; A1824-G1842 WeakPolarHBondContact CA-O 3.15Å; Y1825-G1842 PolarHBondContact N-O 3.01Å; Y1825-G1842 PolarHBondContact O-N 3Å; G1842-G1846 WeakPolarHBondContact CA-O 3.34Å |
| 1843 | G | 80.6 | Confident | 85.6 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.5 | -153.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1788 C1789 Y1790 S1791 L1823 C1845 | D1788-G1843 PolarHBondContact OD1-N 2.8Å; C1789-G1843 CarbonylContact C-O 3.54Å; C1789-G1843 WeakPolarHBondContact CA-O 3.36Å; Y1790-G1843 PolarHBondContact N-O 3.05Å; S1791-G1843 CarbonylContact O-C 3.55Å; S1791-G1843 VanDerWaalsContact O-CA 3.27Å; S1791-G1843 WeakPolarHBondContact O-CA 3.35Å; L1823-G1843 WeakPolarHBondContact O-CA 3.36Å; G1843-C1845 PolarHBondContact O-N 3.05Å |
| 1844 | F | 80.6 | Confident | 85.7 | Confident | 78 Ų | 78 | 33.1 Ų | 33.1 | 34% | 0.342 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 75.1 | 173.4 | -160.8 | -99.5 | 0 | 0 | 0 | 110.7 | S1791 A1792 | S1791-F1844 PolarHBondContact O-N 2.83Å; A1792-F1844 HydrophobicContact CB-CB 4.08Å; A1792-F1844 HydrophobicContact CB-CD2 4.03Å; A1792-F1844 HydrophobicContact CB-CG 4.36Å |
| 1845 | C | 85.6 | Confident | 85.5 | Confident | 42 Ų | 42 | 34 Ų | 34 | 28% | 0.284 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.7 | 51.5 | -166.8 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | D1788 C1789 G1843 | D1788-C1845 CarbonylContact O-C 3.47Å; D1788-C1845 WeakPolarHBondContact O-CA 3.44Å; D1788-C1845 PolarHBondContact O-N 2.8Å; C1789-C1845 HydrophobicContact CB-CB 4.2Å; C1789-C1845 WeakPolarHBondContact CB-SG 3.48Å; C1789-C1845 WeakPolarHBondContact SG-CA 3.47Å; C1789-C1845 WeakPolarHBondContact SG-CB 3.49Å; C1789-C1845 CovalentContact SG-SG 2.05Å; C1789-C1845 PolarHBondContact SG-SG 3.09Å; G1843-C1845 PolarHBondContact O-N 3.05Å |
| 1846 | G | 88.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 149.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1787 D1788 N1820 G1842 | G1787-G1846 CarbonylContact C-O 3.58Å; G1787-G1846 WeakPolarHBondContact CA-O 3.19Å; D1788-G1846 PolarHBondContact N-O 2.94Å; D1788-G1846 PolarHBondContact O-N 3.01Å; N1820-G1846 WeakPolarHBondContact O-CA 3.45Å; G1842-G1846 WeakPolarHBondContact CA-O 3.34Å |
| 1847 | N | 91 | Very high | 85.7 | Confident | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 168.9 | 170.6 | 60.8 | 42 | 0 | 0 | 0 | 112.5 | F1711 A1786 N1820 | F1711-N1847 HydrophobicContact CE2-CB 4.16Å; A1786-N1847 CarbonylContact O-C 3.58Å; A1786-N1847 WeakPolarHBondContact O-CA 3.26Å; A1786-N1847 WeakPolarHBondContact O-CB 3.49Å; N1820-N1847 WeakPolarHBondContact CB-OD1 3.45Å; N1820-N1847 PolarHBondContact N-O 3.44Å; N1820-N1847 PolarHBondContact ND2-OD1 2.94Å; N1820-N1847 PolarHBondContact O-N 2.87Å; N1820-N1847 PolarHBondContact O-OD1 2.87Å |
| 1848 | C | 91.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.5 | 174.9 | 77.2 | 0 | 0 | 0 | 0 | 111.1 | T1785 A1786 V1818 T1826 C1841 | T1785-C1848 WeakPolarHBondContact CA-O 3.49Å; T1785-C1848 WeakPolarHBondContact CB-O 3.41Å; A1786-C1848 PolarHBondContact N-O 3.26Å; A1786-C1848 PolarHBondContact O-N 2.89Å; V1818-C1848 WeakPolarHBondContact O-CA 3.45Å; T1826-C1848 HydrophobicContact CG2-CB 4.1Å; T1826-C1848 WeakPolarHBondContact OG1-CB 3.35Å; C1841-C1848 HydrophobicContact CB-CB 3.54Å; C1841-C1848 WeakPolarHBondContact CB-SG 3.36Å; C1841-C1848 WeakPolarHBondContact SG-CB 3.04Å; C1841-C1848 CovalentContact SG-SG 2.02Å; C1841-C1848 PolarHBondContact SG-SG 3.34Å |
| 1849 | F | 91.2 | Very high | 85.5 | Confident | 31 Ų | 31 | 32.7 Ų | 32.7 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 158.5 | 172.2 | 45.7 | -97.2 | 0 | 0 | 0 | 110.8 | T1785 W1817 V1818 N1820 K1852 | T1785-F1849 HydrophobicContact CG2-CB 3.56Å; W1817-F1849 WeakPolarHBondContact CA-O 3.11Å; V1818-F1849 HydrophobicContact CB-CE2 4.42Å; V1818-F1849 PolarHBondContact N-O 2.88Å; V1818-F1849 PolarHBondContact O-N 2.87Å; N1820-F1849 HydrophobicContact CB-CE1 3.7Å; N1820-F1849 HydrophobicContact CB-CZ 4.05Å; F1849-K1852 HydrophobicContact CE2-CG 4.28Å |
| 1850 | P | 88.7 | Confident | 85.2 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 139.2 | 172.7 | -24.2 | 34.7 | 0 | 0 | 0 | 111.7 | A1784 T1815 K1816 W1817 K1852 L1856 | A1784-P1850 HydrophobicContact CB-CG 4.14Å; T1815-P1850 HydrophobicContact CG2-CB 4.4Å; K1816-P1850 CarbonylContact O-C 3.52Å; K1816-P1850 WeakPolarHBondContact O-CA 3.42Å; W1817-P1850 HydrophobicContact CZ2-CG 4.49Å; P1850-K1852 PolarHBondContact O-N 2.86Å; P1850-L1856 HydrophobicContact CB-CB 4.3Å; P1850-L1856 HydrophobicContact CG-CB 4.2Å |
| 1851 | D | 82.3 | Confident | 84.7 | Confident | 48 Ų | 48 | 34.4 Ų | 34.4 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | trans | -53.2 | 126.1 | -178.6 | -169 | -35.7 | 0 | 0 | 0 | 111 | K1816 V1818 S1853 V1854 G1855 | K1816-D1851 PolarHBondContact O-N 2.89Å; V1818-D1851 HydrophobicContact CG2-CB 3.8Å; D1851-S1853 PolarHBondContact O-N 3.04Å; D1851-S1853 VanDerWaalsContact O-N 3.16Å; D1851-S1853 PolarHBondContact OD1-N 2.04Å; D1851-S1853 PolarHBondContact OD1-OG 2.93Å; D1851-S1853 VanDerWaalsContact OD1-OG 3.09Å; D1851-V1854 PolarHBondContact O-N 3.39Å; D1851-V1854 VanDerWaalsContact O-N 3.15Å; D1851-G1855 WeakPolarHBondContact O-CA 3.3Å; D1851-G1855 PolarHBondContact O-N 3.07Å | ||
| 1852 | K | 71.6 | Confident | 83.5 | Confident | 154 Ų | 154 | 42 Ų | 42 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.1 | -175.3 | -62.8 | -175 | -179.3 | -176.7 | 0 | 113.4 | F1849 P1850 | F1849-K1852 HydrophobicContact CE2-CG 4.28Å; P1850-K1852 PolarHBondContact O-N 2.86Å |
| 1853 | S | 67.7 | Low | 82.1 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 65% | 0.65 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -29.9 | 176 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | D1851 | D1851-S1853 PolarHBondContact O-N 3.04Å; D1851-S1853 VanDerWaalsContact O-N 3.16Å; D1851-S1853 PolarHBondContact OD1-N 2.04Å; D1851-S1853 PolarHBondContact OD1-OG 2.93Å; D1851-S1853 VanDerWaalsContact OD1-OG 3.09Å |
| 1854 | V | 76.4 | Confident | 80.5 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -37.8 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | R1758 D1851 L1857 | R1758-V1854 PolarHBondContact NE-O 3.42Å; D1851-V1854 PolarHBondContact O-N 3.39Å; D1851-V1854 VanDerWaalsContact O-N 3.15Å; V1854-L1857 HydrophobicContact CG1-CB 4.02Å; V1854-L1857 HydrophobicContact CG1-CD2 4.34Å |
| 1855 | G | 81.1 | Confident | 78.5 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | trans | 71.7 | -175.5 | -162.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1851 L1857 | D1851-G1855 WeakPolarHBondContact O-CA 3.3Å; D1851-G1855 PolarHBondContact O-N 3.07Å; G1855-L1857 PolarHBondContact O-N 3.03Å; G1855-L1857 VanDerWaalsContact O-N 3.17Å | ||
| 1856 | L | 87.5 | Confident | 75.7 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 89.2 | 163.3 | 178.3 | 58.6 | 0 | 0 | 0 | 107.8 | V1759 F1783 A1784 V1811 T1815 W1817 P1850 | V1759-L1856 HydrophobicContact CB-CB 4.13Å; V1759-L1856 HydrophobicContact CB-CD2 4.01Å; V1759-L1856 HydrophobicContact CB-CG 4.17Å; V1759-L1856 HydrophobicContact CG1-CD2 4.37Å; V1759-L1856 HydrophobicContact CG2-CB 4.39Å; V1759-L1856 HydrophobicContact CG2-CD2 3.91Å; V1759-L1856 HydrophobicContact CG2-CG 3.95Å; V1759-L1856 PolarHBondContact N-O 3.32Å; F1783-L1856 HydrophobicContact CD1-CD2 3.65Å; F1783-L1856 HydrophobicContact CE1-CD2 3.79Å; A1784-L1856 HydrophobicContact CB-CD2 3.93Å; V1811-L1856 HydrophobicContact CG1-CD1 3.79Å; V1811-L1856 HydrophobicContact CG2-CD1 4.35Å; T1815-L1856 HydrophobicContact CG2-CD1 3.94Å; W1817-L1856 HydrophobicContact CZ2-CD1 4.44Å; P1850-L1856 HydrophobicContact CB-CB 4.3Å; P1850-L1856 HydrophobicContact CG-CB 4.2Å |
| 1857 | L | 90.8 | Very high | 72.8 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.141 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 137.3 | -177.8 | -177.6 | 69.2 | 0 | 0 | 0 | 110.9 | L1757 R1758 S1812 L1814 T1815 V1854 G1855 | L1757-L1857 HydrophobicContact CB-CD1 4.45Å; R1758-L1857 HydrophobicContact CG-CD1 4Å; S1812-L1857 WeakPolarHBondContact CB-O 3.13Å; S1812-L1857 PolarHBondContact N-O 3.18Å; L1814-L1857 HydrophobicContact CB-CD2 4.33Å; L1814-L1857 HydrophobicContact CD1-CD2 4.28Å; T1815-L1857 PolarHBondContact OG1-N 2.05Å; T1815-L1857 VanDerWaalsContact OG1-N 3.11Å; T1815-L1857 PolarHBondContact OG1-O 3.3Å; V1854-L1857 HydrophobicContact CG1-CB 4.02Å; V1854-L1857 HydrophobicContact CG1-CD2 4.34Å; G1855-L1857 PolarHBondContact O-N 3.03Å; G1855-L1857 VanDerWaalsContact O-N 3.17Å |
| 1858 | L | 91.8 | Very high | 69.8 | Low | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.016 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 155.7 | 179.9 | -55.6 | -174.7 | 0 | 0 | 0 | 112.1 | L1698 I1752 L1757 V1759 L1804 F1809 R1810 V1811 | L1698-L1858 HydrophobicContact CD2-CD1 4.34Å; I1752-L1858 HydrophobicContact CD1-CD1 3.79Å; I1752-L1858 HydrophobicContact CG1-CD1 4.48Å; L1757-L1858 WeakPolarHBondContact CB-O 3.36Å; L1757-L1858 PolarHBondContact O-N 3.07Å; V1759-L1858 HydrophobicContact CG2-CD1 3.78Å; V1759-L1858 HydrophobicContact CG2-CD2 4.32Å; V1759-L1858 HydrophobicContact CG2-CG 4.02Å; L1804-L1858 HydrophobicContact CD1-CD1 4.35Å; L1804-L1858 HydrophobicContact CD1-CD2 3.57Å; F1809-L1858 HydrophobicContact CB-CD1 4.29Å; F1809-L1858 HydrophobicContact CD1-CB 4.03Å; F1809-L1858 HydrophobicContact CD1-CD1 4.35Å; F1809-L1858 HydrophobicContact CG-CD1 4.35Å; R1810-L1858 CarbonylContact O-C 3.58Å; R1810-L1858 VanDerWaalsContact O-CA 3.3Å; R1810-L1858 WeakPolarHBondContact O-CA 3.05Å; V1811-L1858 HydrophobicContact CG2-CD2 4.13Å |
| 1859 | E | 87.5 | Confident | 66.6 | Low | 54 Ų | 54 | 85 Ų | 85 | 25% | 0.252 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.1 | 172.5 | -71.6 | 165.5 | -149.4 | 0 | 0 | 109.6 | F1809 R1810 S1812 | F1809-E1859 CarbonylContact C-O 3.44Å; F1809-E1859 VanDerWaalsContact CA-O 3.3Å; F1809-E1859 WeakPolarHBondContact CA-O 3.32Å; R1810-E1859 HydrophobicContact CG-CB 3.86Å; R1810-E1859 IonicContact CZ-OE2 2.8Å; R1810-E1859 PolarHBondContact N-O 2.89Å; R1810-E1859 IonicContact NE-OE2 3.09Å; R1810-E1859 PolarHBondContact NE-OE2 2.85Å; R1810-E1859 IonicContact NH2-OE2 3.61Å; R1810-E1859 PolarHBondContact NH2-OE2 2.75Å; R1810-E1859 PolarHBondContact O-N 3.4Å; S1812-E1859 WeakPolarHBondContact CA-OE1 3.03Å; S1812-E1859 WeakPolarHBondContact CB-OE1 3.45Å; S1812-E1859 PolarHBondContact OG-OE1 3.48Å |
| 1860 | V | 86.1 | Confident | 63.4 | Low | 21 Ų | 21 | 95.1 Ų | 95.1 | 13% | 0.127 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 141.1 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | L1682 L1757 F1809 | L1682-V1860 HydrophobicContact CD1-CG1 4.29Å; L1682-V1860 HydrophobicContact CD1-CG2 3.8Å; L1682-V1860 HydrophobicContact CD2-CG1 4.1Å; L1757-V1860 HydrophobicContact CD1-CG2 4.11Å; F1809-V1860 HydrophobicContact CD1-CG2 4.26Å; F1809-V1860 HydrophobicContact CE1-CG2 3.93Å |
| 1861 | V | 81.3 | Confident | 60.3 | Low | 54 Ų | 54 | 97.2 Ų | 97.2 | 33% | 0.327 | 52% | 0.518 | S | S | . | . | trans | -91.8 | 110.1 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | G1808 R1810 | G1808-V1861 PolarHBondContact O-N 3.06Å; R1810-V1861 HydrophobicContact CB-CG2 4.28Å; R1810-V1861 HydrophobicContact CG-CG2 4.35Å | ||
| 1862 | E | 65.8 | Low | 57.5 | Low | 161 Ų | 161 | 100.5 Ų | 100.5 | 75% | 0.752 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 135.6 | 177.1 | -66.3 | 170.9 | 176.2 | 0 | 0 | 111.6 | Q1864 | E1862-Q1864 PolarHBondContact O-N 3.26Š|
| 1863 | P | 57 | Low | 55.3 | Low | 112 Ų | 112 | 98 Ų | 98 | 73% | 0.727 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 120.2 | 179.2 | 29.1 | -33.7 | 0 | 0 | 0 | 111.1 | S1865 | P1863-S1865 PolarHBondContact O-N 2.83Š|
| 1864 | Q | 47.2 | Very low | 53.3 | Low | 193 Ų | 193 | 100 Ų | 100 | 90% | 0.902 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 119.8 | -180 | -64.5 | -154.5 | -7.6 | 0 | 0 | 112.2 | E1862 | E1862-Q1864 PolarHBondContact O-N 3.26Š|
| 1865 | S | 38.1 | Very low | 51.5 | Low | 112 Ų | 112 | 101.5 Ų | 101.5 | 78% | 0.783 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 125.1 | 178.3 | 51 | 0 | 0 | 0 | 0 | 111.9 | P1863 P1867 | P1863-S1865 PolarHBondContact O-N 2.83Å; S1865-P1867 WeakPolarHBondContact O-CD 3.28Å |
| 1866 | R | 27.3 | Very low | 49 | Very low | 220 Ų | 220 | 104.5 Ų | 104.5 | 83% | 0.83 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 124.2 | 168.6 | -74.8 | -174 | 174 | -170.7 | -2.1 | 110.1 | H1868 | R1866-H1868 PolarHBondContact O-N 2.84Š|
| 1867 | P | 27.2 | Very low | 45.8 | Very low | 126 Ų | 126 | 113 Ų | 113 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | trans | -77.7 | 110.1 | 175.4 | 30.6 | -32.2 | 0 | 0 | 0 | 110.1 | S1865 | S1865-P1867 WeakPolarHBondContact O-CD 3.28Š| ||
| 1868 | H | 27.9 | Very low | 42.6 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 117.2 | 166.2 | -90.3 | -86.8 | 0 | 0 | 0 | 109.9 | R1866 | R1866-H1868 PolarHBondContact O-N 2.84Š|
| 1869 | T | 24.6 | Very low | 40.3 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 133.7 | 174.2 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1870 | Y | 24.3 | Very low | 37.8 | Very low | 242 Ų | 242 | 130.2 Ų | 130.2 | 95% | 0.949 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 133.5 | 175.9 | -86.7 | -102.9 | 0 | 0 | 0 | 111.5 | ||
| 1871 | G | 23.2 | Very low | 34.7 | Very low | 62 Ų | 62 | 135.7 Ų | 135.7 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | trans | -142 | 120 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1872 | S | 22.9 | Very low | 32.2 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 43.4 | 142 | 145.8 | 60.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 1873 | S | 25.1 | Very low | 30.1 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | 117.2 | 118.7 | 132.7 | 79.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1874 | T | 25.6 | Very low | 28.8 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | trans | 35.1 | 113 | 134.4 | 58.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1875 | A | 39 | Very low | 27.8 | Very low | 65 Ų | 65 | 134 Ų | 134 | 54% | 0.537 | 74% | 0.744 | S | S | . | * | trans | -172.3 | 127.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1882 | A1875-K1882 WeakPolarHBondContact O-CD 3.28Å; A1875-K1882 WeakPolarHBondContact O-CE 3.35Å; A1875-K1882 PolarHBondContact O-NZ 3.28Å | ||
| 1876 | P | 27.9 | Very low | 27.6 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 54% | 0.539 | 74% | 0.739 | S | S | . | * | trans | -114 | -163.6 | 148.7 | 26.2 | -6.4 | 0 | 0 | 0 | 110.7 | ||||
| 1877 | W | 21.9 | Very low | 28.1 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | 82.8 | 114.2 | 174 | -71 | 84 | 0 | 0 | 0 | 119.1 | T1879 | W1877-T1879 CarbonylContact C-O 3.58Å; W1877-T1879 WeakPolarHBondContact CA-O 3.46Å; W1877-T1879 HydrophobicContact CE3-CG2 3.63Å; W1877-T1879 HydrophobicContact CZ3-CG2 3.75Å; W1877-T1879 PolarHBondContact N-O 2.97Å | ||
| 1878 | W | 22.7 | Very low | 28.5 | Very low | 230 Ų | 230 | 129 Ų | 129 | 87% | 0.871 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -169.1 | 14.3 | 144.1 | -114.5 | 100.9 | 0 | 0 | 0 | 117.5 | L1880 | W1878-L1880 HydrophobicContact CB-CB 3.8Å; W1878-L1880 HydrophobicContact CB-CD1 3.98Å |
| 1879 | T | 43.1 | Very low | 28.8 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 41% | 0.411 | 72% | 0.723 | S | S | . | * | S | Bend | cis | -55.9 | -46.6 | -6.4 | 168.2 | 0 | 0 | 0 | 0 | 112.6 | W1877 L1881 | W1877-T1879 CarbonylContact C-O 3.58Å; W1877-T1879 WeakPolarHBondContact CA-O 3.46Å; W1877-T1879 HydrophobicContact CE3-CG2 3.63Å; W1877-T1879 HydrophobicContact CZ3-CG2 3.75Å; W1877-T1879 PolarHBondContact N-O 2.97Å; T1879-L1881 PolarHBondContact O-N 3.44Å |
| 1880 | L | 36.4 | Very low | 29.8 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | trans | 41.7 | 50.4 | 163.9 | -124.2 | 157.4 | 0 | 0 | 0 | 111.9 | W1878 K1882 | W1878-L1880 HydrophobicContact CB-CB 3.8Å; W1878-L1880 HydrophobicContact CB-CD1 3.98Å; L1880-K1882 PolarHBondContact O-N 3.47Å | ||
| 1881 | L | 21 | Very low | 30.6 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | trans | -77.3 | 110.9 | -159.4 | -83.7 | 150 | 0 | 0 | 0 | 110.4 | T1879 G1883 | T1879-L1881 PolarHBondContact O-N 3.44Å; L1881-G1883 PolarHBondContact O-N 3.08Å | ||
| 1882 | K | 27.3 | Very low | 31.5 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -62.6 | 103.2 | 163 | -73.7 | 178.4 | 178.2 | 165.7 | 0 | 108 | A1875 L1880 | A1875-K1882 WeakPolarHBondContact O-CD 3.28Å; A1875-K1882 WeakPolarHBondContact O-CE 3.35Å; A1875-K1882 PolarHBondContact O-NZ 3.28Å; L1880-K1882 PolarHBondContact O-N 3.47Å | ||
| 1883 | G | 22.2 | Very low | 32 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | trans | -140.4 | 33.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1881 | L1881-G1883 PolarHBondContact O-N 3.08Š| ||
| 1884 | G | 29.5 | Very low | 32.3 | Very low | 66 Ų | 66 | 133.4 Ų | 133.4 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | trans | -177.9 | 113.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1885 | L | 27.8 | Very low | 32.7 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 94% | 0.937 | 73% | 0.734 | S | S | * | * | cis | 60 | 89.9 | 6.2 | -73.1 | 170.5 | 0 | 0 | 0 | 114.3 | ||||
| 1886 | G | 32.1 | Very low | 32.3 | Very low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | -166.2 | 12.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1887 | H | 37.6 | Very low | 32.6 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -160.8 | 125.7 | 160.9 | -105.2 | -77.8 | 0 | 0 | 0 | 107.5 | ||||
| 1888 | V | 35.6 | Very low | 33.3 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.655 | 76% | 0.762 | S | S | * | * | cis | 80 | 121.6 | 18.9 | -165.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1889 | D | 35.7 | Very low | 34.1 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 60% | 0.599 | 75% | 0.754 | S | S | * | * | trans | 38.8 | 124.8 | 166.8 | -63.8 | -37.4 | 0 | 0 | 0 | 121.4 | ||||
| 1890 | R | 44.9 | Very low | 33.4 | Very low | 214 Ų | 214 | 136.3 Ų | 136.3 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | cis | 74.3 | 110.5 | 24.8 | -157.7 | -163.5 | -156.4 | 178.2 | 4 | 110.5 | ||||
| 1891 | T | 40.4 | Very low | 33.1 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | cis | -118.6 | 16.6 | 21.3 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1892 | T | 43.7 | Very low | 34.3 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 100% | 1.141 | 79% | 0.787 | S | S | * | * | trans | -122.1 | 0 | -166.8 | 53.6 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 1,892 of 1,892 residues in 3096 ms
(Link to these results)