| 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 | P | 43.1 | Very low | 59.4 | Low | 171 Ų | 171 | 111.6 Ų | 111.6 | 100% | 1.11 | 59% | 0.59 | S | S | * | * | 0 | 109.6 | 0 | 24 | -2.7 | 0 | 0 | 0 | 111.7 | |||||
| 2 | V | 53.8 | Low | 60.9 | Low | 146 Ų | 146 | 113.4 Ų | 113.4 | 89% | 0.885 | 58% | 0.583 | S | S | * | * | trans | -115.7 | 84.9 | 173 | -90.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | T | 52 | Low | 62.6 | Low | 126 Ų | 126 | 106.2 Ų | 106.2 | 77% | 0.773 | 54% | 0.544 | S | S | * | . | trans | -118.4 | 11 | -176.4 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | T5 | T3-T5 PolarHBondContact O-N 3.43Š| ||
| 4 | S | 55.6 | Low | 64 | Low | 73 Ų | 73 | 105.1 Ų | 105.1 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | trans | -87.3 | 4.5 | -171.7 | -53.1 | 0 | 0 | 0 | 0 | 116.4 | N6 D8 | S4-N6 PolarHBondContact O-N 3.41Å; S4-D8 WeakPolarHBondContact CB-OD2 3.23Å; S4-D8 VanDerWaalsContact O-CG 3.27Å; S4-D8 PolarHBondContact O-N 2.8Å | ||
| 5 | T | 62.1 | Low | 65.4 | Low | 75 Ų | 75 | 103.6 Ų | 103.6 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | -159.9 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | T3 G43 | T3-T5 PolarHBondContact O-N 3.43Å; T5-G43 WeakPolarHBondContact O-CA 3.42Å |
| 6 | N | 58.3 | Low | 66.8 | Low | 72 Ų | 72 | 103.8 Ų | 103.8 | 39% | 0.385 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -81.2 | -35.2 | -173 | -69.5 | -24.9 | 0 | 0 | 0 | 113.9 | S4 R10 S42 G43 | S4-N6 PolarHBondContact O-N 3.41Å; N6-R10 PolarHBondContact O-N 2.82Å; N6-S42 VanDerWaalsContact OD1-CA 3.23Å; N6-S42 WeakPolarHBondContact OD1-CA 3.1Å; N6-G43 PolarHBondContact OD1-N 3.1Å |
| 7 | Q | 60.7 | Low | 68 | Low | 138 Ų | 138 | 100 Ų | 100 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.4 | -37.7 | 178.9 | -67.3 | -173.3 | -2.5 | 0 | 0 | 111.5 | I9 R10 R11 | Q7-I9 PolarHBondContact O-N 3.31Å; Q7-R10 PolarHBondContact O-N 3.24Å; Q7-R11 WeakPolarHBondContact O-CG 2.9Å; Q7-R11 PolarHBondContact O-N 3.32Å; Q7-R11 VanDerWaalsContact O-N 3.1Å |
| 8 | D | 66.5 | Low | 69.3 | Low | 69 Ų | 69 | 97.8 Ų | 97.8 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -21.5 | -180 | -70.5 | -16.9 | 0 | 0 | 0 | 113.3 | S4 R12 | S4-D8 WeakPolarHBondContact CB-OD2 3.23Å; S4-D8 VanDerWaalsContact O-CG 3.27Å; S4-D8 PolarHBondContact O-N 2.8Å; D8-R12 PolarHBondContact O-NE 2.91Å |
| 9 | I | 67.3 | Low | 70.5 | Confident | 2 Ų | 2 | 92.7 Ų | 92.7 | 1% | 0.01 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -89.3 | -37.5 | 175.9 | -68.4 | -137.4 | 0 | 0 | 0 | 112.2 | Q7 R11 R12 Y13 V40 G43 V46 V55 | Q7-I9 PolarHBondContact O-N 3.31Å; I9-R11 PolarHBondContact O-N 3.3Å; I9-R12 CarbonylContact O-C 3.59Å; I9-R12 WeakPolarHBondContact O-CA 3.43Å; I9-R12 PolarHBondContact O-N 2.86Å; I9-Y13 HydrophobicContact CG2-CD2 4.04Å; I9-Y13 PolarHBondContact O-N 2.98Å; I9-V40 HydrophobicContact CB-CG1 4.45Å; I9-V40 HydrophobicContact CG2-CG1 3.6Å; I9-G43 VanDerWaalsContact CD1-CA 3.43Å; I9-G43 WeakPolarHBondContact CD1-O 3.43Å; I9-G43 VanDerWaalsContact CG1-CA 3.5Å; I9-V46 HydrophobicContact CG2-CG2 4.06Å; I9-V55 HydrophobicContact CD1-CB 4.28Å; I9-V55 HydrophobicContact CD1-CG1 4.13Å; I9-V55 HydrophobicContact CD1-CG2 3.41Å; I9-V55 VanDerWaalsContact CD1-CG2 3.41Å |
| 10 | R | 64.7 | Low | 71.5 | Confident | 153 Ų | 153 | 92.6 Ų | 92.6 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.6 | -26.3 | 169.2 | -71.7 | 178.4 | 173.5 | 156.2 | -0.5 | 112.4 | N6 Q7 R12 N14 V40 | N6-R10 PolarHBondContact O-N 2.82Å; Q7-R10 PolarHBondContact O-N 3.24Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-N14 PolarHBondContact O-OD1 3.21Å; R10-V40 HydrophobicContact CG-CB 4.42Å; R10-V40 HydrophobicContact CG-CG1 4.13Å |
| 11 | R | 69.1 | Low | 72.5 | Confident | 203 Ų | 203 | 88.2 Ų | 88.2 | 77% | 0.766 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.8 | 170.6 | -70.5 | -179.5 | -178.9 | -157.2 | 1.7 | 114.1 | Q7 I9 | Q7-R11 WeakPolarHBondContact O-CG 2.9Å; Q7-R11 PolarHBondContact O-N 3.32Å; Q7-R11 VanDerWaalsContact O-N 3.1Å; I9-R11 PolarHBondContact O-N 3.3Å |
| 12 | R | 78 | Confident | 74.7 | Confident | 133 Ų | 133 | 85.4 Ų | 85.4 | 50% | 0.502 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -33.2 | -175.6 | -79.2 | -174.9 | -85.6 | -165.9 | -4.1 | 113.9 | D8 I9 R10 R60 | D8-R12 PolarHBondContact O-NE 2.91Å; I9-R12 CarbonylContact O-C 3.59Å; I9-R12 WeakPolarHBondContact O-CA 3.43Å; I9-R12 PolarHBondContact O-N 2.86Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R12-R60 WeakPolarHBondContact O-CD 3.45Å; R12-R60 PolarHBondContact O-NE 3.43Å |
| 13 | Y | 82.2 | Confident | 76.3 | Confident | 19 Ų | 19 | 79.9 Ų | 79.9 | 8% | 0.075 | 39% | 0.389 | C | S | . | . | trans | -131 | 123.8 | 178.3 | -57.6 | -86.9 | 0 | 0 | 0 | 108.9 | I9 V19 V46 V55 I58 R60 | I9-Y13 HydrophobicContact CG2-CD2 4.04Å; I9-Y13 PolarHBondContact O-N 2.98Å; Y13-V19 HydrophobicContact CD1-CG1 4.11Å; Y13-V19 HydrophobicContact CE1-CG1 4.25Å; Y13-V46 HydrophobicContact CD2-CG2 4.36Å; Y13-V55 HydrophobicContact CE2-CG1 3.77Å; Y13-I58 HydrophobicContact CD1-CG2 4.34Å; Y13-I58 HydrophobicContact CE1-CB 4.39Å; Y13-I58 HydrophobicContact CE1-CG2 3.64Å; Y13-I58 PolarHBondContact OH-O 3.26Å; Y13-R60 HydrophobicContact CD1-CG 4.26Å; Y13-R60 HydrophobicContact CE1-CG 3.82Å | ||
| 14 | N | 82.9 | Confident | 77.7 | Confident | 92 Ų | 92 | 80 Ų | 80 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | trans | -95.4 | 153.8 | 170 | -60.1 | -40.3 | 0 | 0 | 0 | 109.8 | R10 V16 D17 V37 | R10-N14 PolarHBondContact O-OD1 3.21Å; N14-V16 PolarHBondContact O-N 2.87Å; N14-D17 PolarHBondContact N-OD2 3.13Å; N14-D17 VanDerWaalsContact O-CB 3.3Å; N14-D17 WeakPolarHBondContact O-CB 3.3Å; N14-D17 PolarHBondContact O-N 2.91Å; N14-D17 VanDerWaalsContact O-N 3.12Å; N14-V37 WeakPolarHBondContact O-CB 3.49Å | ||
| 15 | V | 84.9 | Confident | 78.8 | Confident | 82 Ų | 82 | 81.1 Ų | 81.1 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 136.9 | 167.5 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | D17 T38 | V15-D17 VanDerWaalsContact C-N 3.33Å; V15-T38 VanDerWaalsContact CG1-O 3.28Å; V15-T38 WeakPolarHBondContact CG1-O 3.41Å |
| 16 | V | 87.8 | Confident | 79.3 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 65% | 0.648 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 5.7 | -173 | -159.7 | 0 | 0 | 0 | 0 | 114.8 | N14 E18 T36 V37 | N14-V16 PolarHBondContact O-N 2.87Å; V16-E18 PolarHBondContact O-N 2.94Å; V16-T36 HydrophobicContact CG1-CG2 4.44Å; V16-V37 PolarHBondContact N-O 2.98Å |
| 17 | D | 87.8 | Confident | 80.4 | Confident | 39 Ų | 39 | 85.7 Ų | 85.7 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | trans | -70.3 | 132.7 | 170.5 | -79.2 | -7.6 | 0 | 0 | 0 | 111.1 | N14 V15 V37 | N14-D17 PolarHBondContact N-OD2 3.13Å; N14-D17 VanDerWaalsContact O-CB 3.3Å; N14-D17 WeakPolarHBondContact O-CB 3.3Å; N14-D17 PolarHBondContact O-N 2.91Å; N14-D17 VanDerWaalsContact O-N 3.12Å; V15-D17 VanDerWaalsContact C-N 3.33Å; D17-V37 HydrophobicContact CB-CG2 4.44Å; D17-V37 PolarHBondContact O-N 3.25Å | ||
| 18 | E | 90.2 | Very high | 81.3 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 28% | 0.28 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.2 | 171.8 | -68.6 | 175.7 | -171.1 | 0 | 0 | 110.6 | V16 R61 R67 | V16-E18 PolarHBondContact O-N 2.94Å; E18-R61 HydrophobicContact CB-CB 4.25Å; E18-R61 WeakPolarHBondContact O-CB 3.43Å; E18-R61 PolarHBondContact O-N 3.08Å; E18-R61 WeakPolarHBondContact OE2-CD 3.03Å; E18-R61 IonicContact OE2-CZ 3.7Å; E18-R61 IonicContact OE2-NE 3.91Å; E18-R61 IonicContact OE2-NH1 2.74Å; E18-R61 PolarHBondContact OE2-NH1 3.46Å; E18-R67 IonicContact OE1-CZ 3.75Å; E18-R67 IonicContact OE1-NH1 2.62Å; E18-R67 PolarHBondContact OE1-NH1 3.44Å; E18-R67 IonicContact OE2-NH1 3.91Å |
| 19 | V | 91.6 | Very high | 82.2 | Confident | 1 Ų | 1 | 89.6 Ų | 89.6 | 1% | 0.006 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.6 | -174.2 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | Y13 I21 G35 V37 V48 I58 R59 | Y13-V19 HydrophobicContact CD1-CG1 4.11Å; Y13-V19 HydrophobicContact CE1-CG1 4.25Å; V19-I21 HydrophobicContact CG2-CG1 4.28Å; V19-G35 WeakPolarHBondContact CG2-O 3.46Å; V19-G35 PolarHBondContact N-O 2.84Å; V19-G35 PolarHBondContact O-N 3.17Å; V19-V37 HydrophobicContact CG1-CG2 3.84Å; V19-V37 HydrophobicContact CG2-CG2 4.04Å; V19-V48 HydrophobicContact CG2-CG1 3.94Å; V19-V48 HydrophobicContact CG2-CG2 4.26Å; V19-I58 HydrophobicContact CB-CG2 3.5Å; V19-I58 HydrophobicContact CG1-CG2 3.7Å; V19-I58 HydrophobicContact CG2-CG2 3.72Å; V19-R59 CarbonylContact C-O 3.56Å; V19-R59 WeakPolarHBondContact CA-O 3.26Å |
| 20 | W | 92.2 | Very high | 83.1 | Confident | 91 Ų | 91 | 92.3 Ų | 92.3 | 35% | 0.345 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 124.6 | 169.1 | -69.4 | 117.6 | 0 | 0 | 0 | 110 | Y32 E33 E34 I58 R59 | W20-Y32 HydrophobicContact CB-CD1 4.28Å; W20-Y32 HydrophobicContact CB-CG 4.43Å; W20-E33 CarbonylContact C-O 3.51Å; W20-E33 WeakPolarHBondContact CA-O 3.28Å; W20-E34 HydrophobicContact CE3-CB 4.26Å; W20-E34 HydrophobicContact CH2-CB 4.48Å; W20-E34 HydrophobicContact CZ3-CB 3.83Å; W20-I58 CarbonylContact O-C 3.54Å; W20-R59 HydrophobicContact CB-CB 4.16Å; W20-R59 PolarHBondContact N-O 3.11Å; W20-R59 PolarHBondContact O-N 3.1Å |
| 21 | I | 91.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 95.8 Ų | 95.8 | 1% | 0.005 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.4 | -172.8 | -49.8 | 171 | 0 | 0 | 0 | 109.9 | V19 Y32 E33 V48 D57 | V19-I21 HydrophobicContact CG2-CG1 4.28Å; I21-Y32 CarbonylContact O-C 3.59Å; I21-Y32 VanDerWaalsContact O-CA 3.26Å; I21-Y32 WeakPolarHBondContact O-CA 3.49Å; I21-E33 HydrophobicContact CB-CB 4.34Å; I21-E33 PolarHBondContact N-O 3.12Å; I21-E33 PolarHBondContact O-N 3.47Å; I21-V48 HydrophobicContact CD1-CB 4.27Å; I21-V48 HydrophobicContact CD1-CG1 3.39Å; I21-V48 HydrophobicContact CG1-CG1 4.08Å; I21-D57 CarbonylContact C-O 3.56Å; I21-D57 WeakPolarHBondContact CA-O 3.38Å |
| 22 | R | 90.2 | Very high | 85.2 | Confident | 111 Ų | 111 | 89.8 Ų | 89.8 | 42% | 0.419 | 46% | 0.463 | S | S | . | . | trans | -76.3 | 126.9 | 170.4 | 179.3 | 176.5 | -73.4 | -159.3 | -4.5 | 109.5 | Y32 R53 D57 | R22-Y32 HydrophobicContact CB-CD1 4.19Å; R22-Y32 HydrophobicContact CB-CE1 3.85Å; R22-Y32 PolarHBondContact NH2-OH 3.24Å; R22-R53 PolarHBondContact O-NH1 2.85Å; R22-D57 HydrophobicContact CB-CB 4.06Å; R22-D57 WeakPolarHBondContact CB-O 3.18Å; R22-D57 PolarHBondContact N-O 2.95Å | ||
| 23 | P | 87.3 | Confident | 85.8 | Confident | 31 Ų | 31 | 88.4 Ų | 88.4 | 20% | 0.201 | 46% | 0.462 | C | S | . | . | trans | -67.1 | 139.6 | 173.1 | 25.3 | -31.7 | 0 | 0 | 0 | 110.8 | A25 G26 | P23-A25 PolarHBondContact O-N 3.34Å; P23-G26 PolarHBondContact O-N 3.14Å; P23-G26 VanDerWaalsContact O-N 3.11Å | ||
| 24 | P | 81.5 | Confident | 86.2 | Confident | 127 Ų | 127 | 91.8 Ų | 91.8 | 83% | 0.825 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.7 | -172.9 | 25.4 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 25 | A | 79 | Confident | 86.6 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 80% | 0.802 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 24.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P23 R27 | P23-A25 PolarHBondContact O-N 3.34Å; A25-R27 PolarHBondContact O-N 3.02Å |
| 26 | G | 72.5 | Confident | 87 | Confident | 36 Ų | 36 | 86.1 Ų | 86.1 | 37% | 0.371 | 45% | 0.448 | S | S | . | . | trans | -64 | 122.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | P23 T30 | P23-G26 PolarHBondContact O-N 3.14Å; P23-G26 VanDerWaalsContact O-N 3.11Å; G26-T30 WeakPolarHBondContact CA-OG1 3.38Å | ||
| 27 | R | 80.7 | Confident | 87.2 | Confident | 207 Ų | 207 | 81 Ų | 81 | 78% | 0.781 | 42% | 0.417 | S | S | * | . | trans | -68.8 | 166.1 | 159.9 | -65.7 | -170.5 | 177.2 | -154.1 | 1.5 | 109.6 | A25 D29 T30 | A25-R27 PolarHBondContact O-N 3.02Å; R27-D29 PolarHBondContact O-N 2.89Å; R27-T30 HydrophobicContact CB-CG2 4.22Å; R27-T30 VanDerWaalsContact N-CG2 3.34Å; R27-T30 PolarHBondContact N-OG1 2.87Å; R27-T30 WeakPolarHBondContact O-CB 3.38Å; R27-T30 PolarHBondContact O-N 3.25Å; R27-T30 PolarHBondContact O-OG1 3.42Å | ||
| 28 | C | 80 | Confident | 87.4 | Confident | 136 Ų | 136 | 81.8 Ų | 81.8 | 92% | 0.919 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22 | -179.8 | -64.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 29 | D | 85.3 | Confident | 87.3 | Confident | 153 Ų | 153 | 82.5 Ų | 82.5 | 82% | 0.818 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1.3 | -178.9 | -44.9 | -43.4 | 0 | 0 | 0 | 113.4 | R27 | R27-D29 PolarHBondContact O-N 2.89Š|
| 30 | T | 86.4 | Confident | 87.1 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 36% | 0.362 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 133.4 | -179.6 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | G26 R27 | G26-T30 WeakPolarHBondContact CA-OG1 3.38Å; R27-T30 HydrophobicContact CB-CG2 4.22Å; R27-T30 VanDerWaalsContact N-CG2 3.34Å; R27-T30 PolarHBondContact N-OG1 2.87Å; R27-T30 WeakPolarHBondContact O-CB 3.38Å; R27-T30 PolarHBondContact O-N 3.25Å; R27-T30 PolarHBondContact O-OG1 3.42Å |
| 31 | R | 88.7 | Confident | 86.7 | Confident | 227 Ų | 227 | 82.7 Ų | 82.7 | 86% | 0.857 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 150.1 | 175.3 | -66.5 | -175.9 | -179.3 | 173.6 | 0.3 | 109.9 | ||
| 32 | Y | 89.9 | Confident | 86.3 | Confident | 77 Ų | 77 | 84.7 Ų | 84.7 | 30% | 0.302 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 140.4 | 169.9 | -70.9 | -109.9 | 0 | 0 | 0 | 108.6 | W20 I21 R22 R59 | W20-Y32 HydrophobicContact CB-CD1 4.28Å; W20-Y32 HydrophobicContact CB-CG 4.43Å; I21-Y32 CarbonylContact O-C 3.59Å; I21-Y32 VanDerWaalsContact O-CA 3.26Å; I21-Y32 WeakPolarHBondContact O-CA 3.49Å; R22-Y32 HydrophobicContact CB-CD1 4.19Å; R22-Y32 HydrophobicContact CB-CE1 3.85Å; R22-Y32 PolarHBondContact NH2-OH 3.24Å; Y32-R59 HydrophobicContact CE1-CG 4.26Å; Y32-R59 PolarHBondContact OH-NE 2.76Å |
| 33 | E | 89.7 | Confident | 85.9 | Confident | 103 Ų | 103 | 80.1 Ų | 80.1 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 150.5 | 175.1 | -178.7 | 172.6 | -147.5 | 0 | 0 | 109.5 | W20 I21 R53 | W20-E33 CarbonylContact C-O 3.51Å; W20-E33 WeakPolarHBondContact CA-O 3.28Å; I21-E33 HydrophobicContact CB-CB 4.34Å; I21-E33 PolarHBondContact N-O 3.12Å; I21-E33 PolarHBondContact O-N 3.47Å; E33-R53 IonicContact OE2-NH2 3.43Å; E33-R53 PolarHBondContact OE2-NH2 3.3Å |
| 34 | E | 91.2 | Very high | 85.9 | Confident | 90 Ų | 90 | 84.6 Ų | 84.6 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 141.4 | 174 | -174.7 | 174.3 | 156.3 | 0 | 0 | 109.2 | W20 R61 | W20-E34 HydrophobicContact CE3-CB 4.26Å; W20-E34 HydrophobicContact CH2-CB 4.48Å; W20-E34 HydrophobicContact CZ3-CB 3.83Å; E34-R61 IonicContact OE1-CZ 3.52Å; E34-R61 IonicContact OE1-NH1 2.67Å; E34-R61 PolarHBondContact OE1-NH1 3.21Å; E34-R61 IonicContact OE1-NH2 3.66Å; E34-R61 IonicContact OE2-CZ 3.4Å; E34-R61 IonicContact OE2-NH1 3.34Å; E34-R61 PolarHBondContact OE2-NH1 3.09Å; E34-R61 IonicContact OE2-NH2 2.87Å; E34-R61 PolarHBondContact OE2-NH2 3.23Å |
| 35 | G | 91.3 | Very high | 86.2 | Confident | 5 Ų | 5 | 79.9 Ų | 79.9 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 175.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V19 D49 | V19-G35 WeakPolarHBondContact CG2-O 3.46Å; V19-G35 PolarHBondContact N-O 2.84Å; V19-G35 PolarHBondContact O-N 3.17Å; G35-D49 WeakPolarHBondContact CA-OD2 3.47Å |
| 36 | T | 92.7 | Very high | 86.7 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 31% | 0.307 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.8 | -172.5 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | V16 T38 V48 D49 | V16-T36 HydrophobicContact CG1-CG2 4.44Å; T36-T38 PolarHBondContact O-N 3.19Å; T36-T38 VanDerWaalsContact O-N 3.12Å; T36-V48 WeakPolarHBondContact O-CA 3.35Å; T36-V48 WeakPolarHBondContact O-CG1 3.32Å; T36-D49 PolarHBondContact N-OD1 2.8Å; T36-D49 PolarHBondContact O-N 2.78Å |
| 37 | V | 91.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 112.7 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | N14 V16 D17 V19 V40 V46 E47 V48 | N14-V37 WeakPolarHBondContact O-CB 3.49Å; V16-V37 PolarHBondContact N-O 2.98Å; D17-V37 HydrophobicContact CB-CG2 4.44Å; D17-V37 PolarHBondContact O-N 3.25Å; V19-V37 HydrophobicContact CG1-CG2 3.84Å; V19-V37 HydrophobicContact CG2-CG2 4.04Å; V37-V40 HydrophobicContact CG1-CG2 4.39Å; V37-V46 HydrophobicContact CB-CG1 4.22Å; V37-V46 HydrophobicContact CG1-CG1 3.42Å; V37-V46 VanDerWaalsContact CG1-CG1 3.42Å; V37-V46 HydrophobicContact CG2-CG1 3.87Å; V37-E47 CarbonylContact C-O 3.5Å; V37-E47 WeakPolarHBondContact CA-O 3.24Å; V37-V48 HydrophobicContact CG2-CG2 4.44Å |
| 38 | T | 91.9 | Very high | 88.2 | Confident | 55 Ų | 55 | 66 Ų | 66 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -36.7 | 176.8 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | V15 T36 E47 G50 | V15-T38 VanDerWaalsContact CG1-O 3.28Å; V15-T38 WeakPolarHBondContact CG1-O 3.41Å; T36-T38 PolarHBondContact O-N 3.19Å; T36-T38 VanDerWaalsContact O-N 3.12Å; T38-E47 PolarHBondContact N-O 2.96Å; T38-E47 WeakPolarHBondContact OG1-CB 3.4Å; T38-E47 VanDerWaalsContact OG1-CD 3.26Å; T38-E47 VanDerWaalsContact OG1-CG 3.24Å; T38-E47 WeakPolarHBondContact OG1-CG 3.46Å; T38-E47 PolarHBondContact OG1-O 2.86Å; T38-E47 PolarHBondContact OG1-OE1 3.01Å; T38-G50 PolarHBondContact OG1-N 2.89Å |
| 39 | N | 88.5 | Confident | 88.7 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 40% | 0.396 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 154.8 | -178.3 | -160.6 | -3.2 | 0 | 0 | 0 | 112.1 | V46 E47 | N39-V46 WeakPolarHBondContact O-CG1 3.4Å; N39-E47 HydrophobicContact CB-CB 3.87Å; N39-E47 WeakPolarHBondContact CB-OE2 3.36Å; N39-E47 PolarHBondContact N-O 2.8Å; N39-E47 WeakPolarHBondContact O-CB 3.33Å; N39-E47 PolarHBondContact O-N 3.12Å |
| 40 | V | 87.2 | Confident | 88.9 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 101.7 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | I9 R10 V37 | I9-V40 HydrophobicContact CB-CG1 4.45Å; I9-V40 HydrophobicContact CG2-CG1 3.6Å; R10-V40 HydrophobicContact CG-CB 4.42Å; R10-V40 HydrophobicContact CG-CG1 4.13Å; V37-V40 HydrophobicContact CG1-CG2 4.39Å |
| 41 | L | 84.9 | Confident | 89.1 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -47.1 | -176.4 | -58 | 175.4 | 0 | 0 | 0 | 111.7 | A45 E47 P52 | L41-A45 HydrophobicContact CB-CB 4.47Å; L41-A45 PolarHBondContact N-O 2.83Å; L41-E47 HydrophobicContact CD1-CB 4.24Å; L41-E47 HydrophobicContact CD2-CB 4.46Å; L41-E47 HydrophobicContact CG-CB 4.16Å; L41-P52 HydrophobicContact CD1-CB 3.58Å |
| 42 | S | 82 | Confident | 89.2 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 167.9 | -174.4 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | N6 Q44 A45 | N6-S42 VanDerWaalsContact OD1-CA 3.23Å; N6-S42 WeakPolarHBondContact OD1-CA 3.1Å; S42-Q44 PolarHBondContact O-N 3.43Å; S42-A45 PolarHBondContact N-O 2.77Å; S42-A45 PolarHBondContact O-N 3.49Å; S42-A45 VanDerWaalsContact O-N 3.13Å |
| 43 | G | 81.3 | Confident | 89.2 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 6.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116 | T5 N6 I9 | T5-G43 WeakPolarHBondContact O-CA 3.42Å; N6-G43 PolarHBondContact OD1-N 3.1Å; I9-G43 VanDerWaalsContact CD1-CA 3.43Å; I9-G43 WeakPolarHBondContact CD1-O 3.43Å; I9-G43 VanDerWaalsContact CG1-CA 3.5Å |
| 44 | Q | 87.1 | Confident | 89.3 | Confident | 125 Ų | 125 | 50.5 Ų | 50.5 | 58% | 0.584 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.3 | -12.3 | 173.6 | -67.4 | -178.8 | -28.3 | 0 | 0 | 112.9 | S42 H54 V55 | S42-Q44 PolarHBondContact O-N 3.43Å; Q44-H54 CarbonylContact O-C 3.57Å; Q44-H54 WeakPolarHBondContact O-CA 3.42Å; Q44-H54 PolarHBondContact O-CD2 3.02Å; Q44-V55 VanDerWaalsContact C-CG2 3.43Å; Q44-V55 WeakPolarHBondContact O-CG2 3.35Å; Q44-V55 PolarHBondContact O-N 3.2Å |
| 45 | A | 88.5 | Confident | 89.1 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111 | L41 S42 R53 | L41-A45 HydrophobicContact CB-CB 4.47Å; L41-A45 PolarHBondContact N-O 2.83Å; S42-A45 PolarHBondContact N-O 2.77Å; S42-A45 PolarHBondContact O-N 3.49Å; S42-A45 VanDerWaalsContact O-N 3.13Å; A45-R53 CarbonylContact C-O 3.58Å; A45-R53 VanDerWaalsContact CA-O 3.32Å; A45-R53 WeakPolarHBondContact CA-O 3.46Å |
| 46 | V | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.1 | 179.5 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | I9 Y13 V37 N39 V48 R53 V55 I58 | I9-V46 HydrophobicContact CG2-CG2 4.06Å; Y13-V46 HydrophobicContact CD2-CG2 4.36Å; V37-V46 HydrophobicContact CB-CG1 4.22Å; V37-V46 HydrophobicContact CG1-CG1 3.42Å; V37-V46 VanDerWaalsContact CG1-CG1 3.42Å; V37-V46 HydrophobicContact CG2-CG1 3.87Å; N39-V46 WeakPolarHBondContact O-CG1 3.4Å; V46-V48 HydrophobicContact CG1-CG2 4.25Å; V46-R53 PolarHBondContact N-O 2.92Å; V46-R53 PolarHBondContact O-N 2.78Å; V46-R53 VanDerWaalsContact O-O 3.07Å; V46-V55 HydrophobicContact CG2-CG2 3.84Å; V46-I58 HydrophobicContact CB-CD1 3.72Å; V46-I58 HydrophobicContact CG1-CD1 4.25Å; V46-I58 HydrophobicContact CG2-CD1 4.44Å |
| 47 | E | 92.4 | Very high | 88.7 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.1 | 175.2 | -158.6 | -169.2 | 127.6 | 0 | 0 | 108.9 | V37 T38 N39 L41 G50 | V37-E47 CarbonylContact C-O 3.5Å; V37-E47 WeakPolarHBondContact CA-O 3.24Å; T38-E47 PolarHBondContact N-O 2.96Å; T38-E47 WeakPolarHBondContact OG1-CB 3.4Å; T38-E47 VanDerWaalsContact OG1-CD 3.26Å; T38-E47 VanDerWaalsContact OG1-CG 3.24Å; T38-E47 WeakPolarHBondContact OG1-CG 3.46Å; T38-E47 PolarHBondContact OG1-O 2.86Å; T38-E47 PolarHBondContact OG1-OE1 3.01Å; N39-E47 HydrophobicContact CB-CB 3.87Å; N39-E47 WeakPolarHBondContact CB-OE2 3.36Å; N39-E47 PolarHBondContact N-O 2.8Å; N39-E47 WeakPolarHBondContact O-CB 3.33Å; N39-E47 PolarHBondContact O-N 3.12Å; L41-E47 HydrophobicContact CD1-CB 4.24Å; L41-E47 HydrophobicContact CD2-CB 4.46Å; L41-E47 HydrophobicContact CG-CB 4.16Å; E47-G50 WeakPolarHBondContact OE1-CA 3.45Å |
| 48 | V | 91.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.4 | -179.2 | -172.4 | 0 | 0 | 0 | 0 | 107.4 | V19 I21 T36 V37 V46 G50 I51 I58 | V19-V48 HydrophobicContact CG2-CG1 3.94Å; V19-V48 HydrophobicContact CG2-CG2 4.26Å; I21-V48 HydrophobicContact CD1-CB 4.27Å; I21-V48 HydrophobicContact CD1-CG1 3.39Å; I21-V48 HydrophobicContact CG1-CG1 4.08Å; T36-V48 WeakPolarHBondContact O-CA 3.35Å; T36-V48 WeakPolarHBondContact O-CG1 3.32Å; V37-V48 HydrophobicContact CG2-CG2 4.44Å; V46-V48 HydrophobicContact CG1-CG2 4.25Å; V48-G50 PolarHBondContact O-N 2.89Å; V48-I51 PolarHBondContact N-O 2.74Å; V48-I51 PolarHBondContact O-N 3.18Å; V48-I58 HydrophobicContact CG2-CD1 3.72Å; V48-I58 HydrophobicContact CG2-CG1 4.42Å |
| 49 | D | 90.1 | Very high | 88.4 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.1 | -174.5 | -50 | -43.5 | 0 | 0 | 0 | 114 | G35 T36 I51 | G35-D49 WeakPolarHBondContact CA-OD2 3.47Å; T36-D49 PolarHBondContact N-OD1 2.8Å; T36-D49 PolarHBondContact O-N 2.78Å; D49-I51 VanDerWaalsContact C-N 3.29Å; D49-I51 PolarHBondContact O-N 3.26Å |
| 50 | G | 90.6 | Very high | 88.2 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T38 E47 V48 | T38-G50 PolarHBondContact OG1-N 2.89Å; E47-G50 WeakPolarHBondContact OE1-CA 3.45Å; V48-G50 PolarHBondContact O-N 2.89Å |
| 51 | I | 90.3 | Very high | 87.9 | Confident | 96 Ų | 96 | 68.2 Ų | 68.2 | 49% | 0.492 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.4 | -178.4 | -57.1 | 175.8 | 0 | 0 | 0 | 109.8 | V48 D49 R53 | V48-I51 PolarHBondContact N-O 2.74Å; V48-I51 PolarHBondContact O-N 3.18Å; D49-I51 VanDerWaalsContact C-N 3.29Å; D49-I51 PolarHBondContact O-N 3.26Å; I51-R53 HydrophobicContact CG2-CG 4.37Å; I51-R53 PolarHBondContact O-N 3.48Å |
| 52 | P | 90.8 | Very high | 87.1 | Confident | 86 Ų | 86 | 70.1 Ų | 70.1 | 56% | 0.558 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 122 | 175 | 27.2 | -33.5 | 0 | 0 | 0 | 111.1 | L41 | L41-P52 HydrophobicContact CD1-CB 3.58Å |
| 53 | R | 90.4 | Very high | 86.2 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 17% | 0.166 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.9 | 177.2 | -65.5 | -163.5 | -178.5 | -133.5 | 18 | 111.9 | R22 E33 A45 V46 I51 I58 | R22-R53 PolarHBondContact O-NH1 2.85Å; E33-R53 IonicContact OE2-NH2 3.43Å; E33-R53 PolarHBondContact OE2-NH2 3.3Å; A45-R53 CarbonylContact C-O 3.58Å; A45-R53 VanDerWaalsContact CA-O 3.32Å; A45-R53 WeakPolarHBondContact CA-O 3.46Å; V46-R53 PolarHBondContact N-O 2.92Å; V46-R53 PolarHBondContact O-N 2.78Å; V46-R53 VanDerWaalsContact O-O 3.07Å; I51-R53 HydrophobicContact CG2-CG 4.37Å; I51-R53 PolarHBondContact O-N 3.48Å; R53-I58 HydrophobicContact CB-CD1 4.13Å; R53-I58 HydrophobicContact CB-CG1 4.35Å |
| 54 | H | 90.2 | Very high | 84.9 | Confident | 67 Ų | 67 | 73 Ų | 73 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.5 | 178.4 | -170.6 | -88.7 | 0 | 0 | 0 | 110.3 | Q44 R56 D57 | Q44-H54 CarbonylContact O-C 3.57Å; Q44-H54 WeakPolarHBondContact O-CA 3.42Å; Q44-H54 PolarHBondContact O-CD2 3.02Å; H54-R56 VanDerWaalsContact CE1-CG 3.49Å; H54-R56 WeakPolarHBondContact CE1-CG 3.19Å; H54-R56 WeakPolarHBondContact ND1-CB 3.37Å; H54-R56 PolarHBondContact ND1-N 2.94Å; H54-R56 VanDerWaalsContact ND1-N 3.14Å; H54-R56 PolarHBondContact O-N 3.05Å; H54-D57 WeakPolarHBondContact O-CB 3.48Å; H54-D57 PolarHBondContact O-N 3.46Å |
| 55 | V | 87.2 | Confident | 83.4 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -57 | -27.4 | -177.1 | 171.9 | 0 | 0 | 0 | 0 | 113 | I9 Y13 Q44 V46 D57 I58 | I9-V55 HydrophobicContact CD1-CB 4.28Å; I9-V55 HydrophobicContact CD1-CG1 4.13Å; I9-V55 HydrophobicContact CD1-CG2 3.41Å; I9-V55 VanDerWaalsContact CD1-CG2 3.41Å; Y13-V55 HydrophobicContact CE2-CG1 3.77Å; Q44-V55 VanDerWaalsContact C-CG2 3.43Å; Q44-V55 WeakPolarHBondContact O-CG2 3.35Å; Q44-V55 PolarHBondContact O-N 3.2Å; V46-V55 HydrophobicContact CG2-CG2 3.84Å; V55-D57 VanDerWaalsContact C-N 3.27Å; V55-D57 PolarHBondContact O-N 3.04Å; V55-I58 PolarHBondContact O-N 3.37Å; V55-I58 VanDerWaalsContact O-O 3.12Å |
| 56 | R | 88.6 | Confident | 81.7 | Confident | 207 Ų | 207 | 78 Ų | 78 | 78% | 0.781 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -68.4 | -24.8 | 175.6 | -70.8 | 174.6 | -177.5 | 173.9 | 0.4 | 114 | H54 I58 | H54-R56 VanDerWaalsContact CE1-CG 3.49Å; H54-R56 WeakPolarHBondContact CE1-CG 3.19Å; H54-R56 WeakPolarHBondContact ND1-CB 3.37Å; H54-R56 PolarHBondContact ND1-N 2.94Å; H54-R56 VanDerWaalsContact ND1-N 3.14Å; H54-R56 PolarHBondContact O-N 3.05Å; R56-I58 VanDerWaalsContact C-N 3.27Å |
| 57 | D | 87.9 | Confident | 80.1 | Confident | 55 Ų | 55 | 86.7 Ų | 86.7 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -87.7 | -4 | 178.7 | -60.1 | -37.8 | 0 | 0 | 0 | 111.3 | I21 R22 H54 V55 | I21-D57 CarbonylContact C-O 3.56Å; I21-D57 WeakPolarHBondContact CA-O 3.38Å; R22-D57 HydrophobicContact CB-CB 4.06Å; R22-D57 WeakPolarHBondContact CB-O 3.18Å; R22-D57 PolarHBondContact N-O 2.95Å; H54-D57 WeakPolarHBondContact O-CB 3.48Å; H54-D57 PolarHBondContact O-N 3.46Å; V55-D57 VanDerWaalsContact C-N 3.27Å; V55-D57 PolarHBondContact O-N 3.04Å |
| 58 | I | 88.6 | Confident | 78.2 | Confident | 6 Ų | 6 | 90.7 Ų | 90.7 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.6 | -174.9 | -55 | 171.8 | 0 | 0 | 0 | 109.8 | Y13 V19 W20 V46 V48 R53 V55 R56 | Y13-I58 HydrophobicContact CD1-CG2 4.34Å; Y13-I58 HydrophobicContact CE1-CB 4.39Å; Y13-I58 HydrophobicContact CE1-CG2 3.64Å; Y13-I58 PolarHBondContact OH-O 3.26Å; V19-I58 HydrophobicContact CB-CG2 3.5Å; V19-I58 HydrophobicContact CG1-CG2 3.7Å; V19-I58 HydrophobicContact CG2-CG2 3.72Å; W20-I58 CarbonylContact O-C 3.54Å; V46-I58 HydrophobicContact CB-CD1 3.72Å; V46-I58 HydrophobicContact CG1-CD1 4.25Å; V46-I58 HydrophobicContact CG2-CD1 4.44Å; V48-I58 HydrophobicContact CG2-CD1 3.72Å; V48-I58 HydrophobicContact CG2-CG1 4.42Å; R53-I58 HydrophobicContact CB-CD1 4.13Å; R53-I58 HydrophobicContact CB-CG1 4.35Å; V55-I58 PolarHBondContact O-N 3.37Å; V55-I58 VanDerWaalsContact O-O 3.12Å; R56-I58 VanDerWaalsContact C-N 3.27Å |
| 59 | R | 88.9 | Confident | 75.9 | Confident | 136 Ų | 136 | 100.7 Ų | 100.7 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.1 | 172.5 | -64.2 | 179.1 | 175.8 | -88.8 | -6 | 108.8 | V19 W20 Y32 R61 | V19-R59 CarbonylContact C-O 3.56Å; V19-R59 WeakPolarHBondContact CA-O 3.26Å; W20-R59 HydrophobicContact CB-CB 4.16Å; W20-R59 PolarHBondContact N-O 3.11Å; W20-R59 PolarHBondContact O-N 3.1Å; Y32-R59 HydrophobicContact CE1-CG 4.26Å; Y32-R59 PolarHBondContact OH-NE 2.76Å; R59-R61 PolarHBondContact O-N 3.16Å |
| 60 | R | 84.2 | Confident | 73.2 | Confident | 155 Ų | 155 | 99.2 Ų | 99.2 | 59% | 0.585 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.3 | 176.2 | -62.1 | -178.9 | 73.4 | -156.6 | 3.7 | 109.3 | R12 Y13 T62 | R12-R60 WeakPolarHBondContact O-CD 3.45Å; R12-R60 PolarHBondContact O-NE 3.43Å; Y13-R60 HydrophobicContact CD1-CG 4.26Å; Y13-R60 HydrophobicContact CE1-CG 3.82Å; R60-T62 PolarHBondContact O-N 2.9Å |
| 61 | R | 79.9 | Confident | 71 | Confident | 76 Ų | 76 | 103 Ų | 103 | 29% | 0.287 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 124.9 | 165.4 | -163.5 | 179.3 | -164.6 | 166.3 | 21.4 | 106.4 | E18 E34 R59 P63 | E18-R61 HydrophobicContact CB-CB 4.25Å; E18-R61 WeakPolarHBondContact O-CB 3.43Å; E18-R61 PolarHBondContact O-N 3.08Å; E18-R61 WeakPolarHBondContact OE2-CD 3.03Å; E18-R61 IonicContact OE2-CZ 3.7Å; E18-R61 IonicContact OE2-NE 3.91Å; E18-R61 IonicContact OE2-NH1 2.74Å; E18-R61 PolarHBondContact OE2-NH1 3.46Å; E34-R61 IonicContact OE1-CZ 3.52Å; E34-R61 IonicContact OE1-NH1 2.67Å; E34-R61 PolarHBondContact OE1-NH1 3.21Å; E34-R61 IonicContact OE1-NH2 3.66Å; E34-R61 IonicContact OE2-CZ 3.4Å; E34-R61 IonicContact OE2-NH1 3.34Å; E34-R61 PolarHBondContact OE2-NH1 3.09Å; E34-R61 IonicContact OE2-NH2 2.87Å; E34-R61 PolarHBondContact OE2-NH2 3.23Å; R59-R61 PolarHBondContact O-N 3.16Å; R61-P63 WeakPolarHBondContact O-CD 3.5Å; R61-P63 VanDerWaalsContact O-N 3.12Å |
| 62 | T | 69.3 | Low | 68.4 | Low | 122 Ų | 122 | 105.3 Ų | 105.3 | 75% | 0.748 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 120.6 | 164.5 | -53.9 | 0 | 0 | 0 | 0 | 105.4 | R60 S64 | R60-T62 PolarHBondContact O-N 2.9Å; T62-S64 PolarHBondContact O-N 3.12Å; T62-S64 VanDerWaalsContact O-N 3.14Å |
| 63 | P | 63 | Low | 66 | Low | 56 Ų | 56 | 110.5 Ų | 110.5 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 127.7 | 176.9 | 25.5 | -34.9 | 0 | 0 | 0 | 107 | R61 Q68 | R61-P63 WeakPolarHBondContact O-CD 3.5Å; R61-P63 VanDerWaalsContact O-N 3.12Å; P63-Q68 HydrophobicContact CB-CG 3.61Å; P63-Q68 HydrophobicContact CG-CG 3.51Å; P63-Q68 VanDerWaalsContact CG-NE2 3.3Å |
| 64 | S | 53.7 | Low | 63.4 | Low | 62 Ų | 62 | 113.6 Ų | 113.6 | 43% | 0.434 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -50.2 | 135.9 | 171.8 | -178 | 0 | 0 | 0 | 0 | 107.5 | T62 D66 R67 | T62-S64 PolarHBondContact O-N 3.12Å; T62-S64 VanDerWaalsContact O-N 3.14Å; S64-D66 PolarHBondContact O-N 3.4Å; S64-R67 PolarHBondContact O-N 3.14Å |
| 65 | P | 54.6 | Low | 61.2 | Low | 111 Ų | 111 | 117.9 Ų | 117.9 | 72% | 0.721 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -52.3 | -22.6 | -180 | 20.1 | -32.5 | 0 | 0 | 0 | 112.6 | R67 | P65-R67 PolarHBondContact O-N 3.45Š|
| 66 | D | 54.4 | Low | 59.1 | Low | 149 Ų | 149 | 123.5 Ų | 123.5 | 80% | 0.797 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -68 | -16.5 | 176.6 | -61.3 | -33 | 0 | 0 | 0 | 114.8 | S64 | S64-D66 PolarHBondContact O-N 3.4Š|
| 67 | R | 55.5 | Low | 57.5 | Low | 182 Ų | 182 | 122.6 Ų | 122.6 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -111.3 | -2.8 | -175.6 | -140.2 | 172.3 | 170.4 | -172.6 | -5.8 | 114.3 | E18 S64 P65 K69 | E18-R67 IonicContact OE1-CZ 3.75Å; E18-R67 IonicContact OE1-NH1 2.62Å; E18-R67 PolarHBondContact OE1-NH1 3.44Å; E18-R67 IonicContact OE2-NH1 3.91Å; S64-R67 PolarHBondContact O-N 3.14Å; P65-R67 PolarHBondContact O-N 3.45Å; R67-K69 PolarHBondContact O-N 3.23Å |
| 68 | Q | 51.5 | Low | 56.3 | Low | 132 Ų | 132 | 126.2 Ų | 126.2 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | trans | -97.8 | 49.4 | 175.1 | -62.6 | -165.8 | -74.8 | 0 | 0 | 112.4 | P63 G70 | P63-Q68 HydrophobicContact CB-CG 3.61Å; P63-Q68 HydrophobicContact CG-CG 3.51Å; P63-Q68 VanDerWaalsContact CG-NE2 3.3Å; Q68-G70 VanDerWaalsContact C-N 3.33Å; Q68-G70 PolarHBondContact O-N 3.17Å; Q68-G70 VanDerWaalsContact O-N 3.16Å | ||
| 69 | K | 43.3 | Very low | 55 | Low | 211 Ų | 211 | 135.2 Ų | 135.2 | 92% | 0.917 | 69% | 0.687 | S | S | * | * | trans | -84.4 | 83.4 | 165 | -164.7 | -179.7 | -178.3 | -164.5 | 0 | 109 | R67 | R67-K69 PolarHBondContact O-N 3.23Š| ||
| 70 | G | 35.3 | Very low | 54.2 | Low | 59 Ų | 59 | 136.3 Ų | 136.3 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 122 | 94.6 | 167 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q68 | Q68-G70 VanDerWaalsContact C-N 3.33Å; Q68-G70 PolarHBondContact O-N 3.17Å; Q68-G70 VanDerWaalsContact O-N 3.16Å |
| 71 | T | 42.6 | Very low | 53.6 | Low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 70% | 0.702 | S | S | * | * | 169 | 105.3 | 123.1 | 39.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 72 | N | 37 | Very low | 53.3 | Low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | trans | 74.7 | 88.3 | 136 | -43.4 | -18.5 | 0 | 0 | 0 | 120.2 | ||||
| 73 | K | 39.9 | Very low | 53.6 | Low | 195 Ų | 195 | 139.9 Ų | 139.9 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | 163.4 | 105.1 | 123.2 | -93.9 | 179.4 | 174 | -175.9 | 0 | 106.6 | |||||
| 74 | T | 36.5 | Very low | 54.4 | Low | 110 Ų | 110 | 144 Ų | 144 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | 51.2 | 111.4 | 74.9 | -47.3 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 75 | E | 43.2 | Very low | 55.6 | Low | 157 Ų | 157 | 152.4 Ų | 152.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -166.2 | 154.5 | 10.1 | -99.6 | 151.6 | -169 | 0 | 0 | 103.2 | ||||
| 76 | N | 43.4 | Very low | 56.7 | Low | 142 Ų | 142 | 154 Ų | 154 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 31 | 122.9 | 147.4 | -48.9 | -37.3 | 0 | 0 | 0 | 118.1 | ||||
| 77 | E | 54.9 | Low | 57.9 | Low | 188 Ų | 188 | 152.8 Ų | 152.8 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | 176.9 | 121.3 | 118.6 | -69.9 | -130.6 | 153.6 | 0 | 0 | 107.7 | E79 | E77-E79 PolarHBondContact O-N 2.87Š| |||
| 78 | V | 62.1 | Low | 58.8 | Low | 132 Ų | 132 | 150.9 Ų | 150.9 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -1.6 | 111.1 | 165.4 | -170.7 | 0 | 0 | 0 | 0 | 115.1 | E80 | V78-E80 HydrophobicContact CG1-CG 4.44Å; V78-E80 PolarHBondContact O-N 2.96Å | ||
| 79 | E | 62.8 | Low | 59.5 | Low | 194 Ų | 194 | 155.5 Ų | 155.5 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | -67.4 | 83 | 169.3 | -66 | -168.3 | 178.5 | 0 | 0 | 109.9 | E77 | E77-E79 PolarHBondContact O-N 2.87Š| ||
| 80 | E | 70.2 | Confident | 60.3 | Low | 160 Ų | 160 | 152.4 Ų | 152.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -63.3 | 128.9 | 163.8 | -73.6 | -166 | 149.1 | 0 | 0 | 108.5 | V78 L82 | V78-E80 HydrophobicContact CG1-CG 4.44Å; V78-E80 PolarHBondContact O-N 2.96Å; E80-L82 PolarHBondContact O-N 3.02Å; E80-L82 VanDerWaalsContact O-N 3.1Å | ||
| 81 | P | 73 | Confident | 61.4 | Low | 105 Ų | 105 | 154.8 Ų | 154.8 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -61 | 121.2 | -179.7 | 24.8 | -32.8 | 0 | 0 | 0 | 109.3 | L83 | P81-L83 VanDerWaalsContact C-N 3.27Å; P81-L83 PolarHBondContact O-N 2.98Å | ||
| 82 | L | 73.2 | Confident | 61.9 | Low | 168 Ų | 168 | 155.4 Ų | 155.4 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -59.9 | 86.5 | 172.7 | -69.5 | 166.6 | 0 | 0 | 0 | 109.9 | E80 I84 | E80-L82 PolarHBondContact O-N 3.02Å; E80-L82 VanDerWaalsContact O-N 3.1Å; L82-I84 PolarHBondContact O-N 2.8Å; L82-I84 VanDerWaalsContact O-N 3.08Å | ||
| 83 | L | 76.2 | Confident | 62.6 | Low | 154 Ų | 154 | 154 Ų | 154 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -74.8 | 96.3 | 175.9 | -74.4 | 167.1 | 0 | 0 | 0 | 109.5 | P81 R85 | P81-L83 VanDerWaalsContact C-N 3.27Å; P81-L83 PolarHBondContact O-N 2.98Å; L83-R85 PolarHBondContact O-N 2.82Å; L83-R85 VanDerWaalsContact O-N 3.11Å | ||
| 84 | I | 78.2 | Confident | 63 | Low | 142 Ų | 142 | 152.7 Ų | 152.7 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | trans | -72.4 | 100 | 170.7 | -56.2 | 174.5 | 0 | 0 | 0 | 108.4 | L82 M86 | L82-I84 PolarHBondContact O-N 2.8Å; L82-I84 VanDerWaalsContact O-N 3.08Å; I84-M86 HydrophobicContact CG2-CG 4.32Å; I84-M86 HydrophobicContact CG2-SD 3.79Å; I84-M86 PolarHBondContact O-N 2.7Å | ||
| 85 | R | 79 | Confident | 63.7 | Low | 239 Ų | 239 | 150.6 Ų | 150.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -74.4 | 105.1 | 170.2 | -90.3 | -177.8 | 174.5 | -115.4 | 1.2 | 110.1 | L83 | L83-R85 PolarHBondContact O-N 2.82Å; L83-R85 VanDerWaalsContact O-N 3.11Å | ||
| 86 | M | 79.4 | Confident | 63.8 | Low | 146 Ų | 146 | 153.3 Ų | 153.3 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -83.4 | 133.7 | 167 | -59 | -61.2 | -84.9 | 0 | 0 | 108.8 | I84 I88 | I84-M86 HydrophobicContact CG2-CG 4.32Å; I84-M86 HydrophobicContact CG2-SD 3.79Å; I84-M86 PolarHBondContact O-N 2.7Å; M86-I88 PolarHBondContact O-N 2.71Å; M86-I88 VanDerWaalsContact O-N 3.09Å | ||
| 87 | P | 79.4 | Confident | 64.1 | Low | 122 Ų | 122 | 151.1 Ų | 151.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -65.6 | 114.4 | 175.5 | 25.8 | -31.7 | 0 | 0 | 0 | 109.3 | R89 | P87-R89 PolarHBondContact O-N 3.22Š| ||
| 88 | I | 73.8 | Confident | 64.2 | Low | 143 Ų | 143 | 148 Ų | 148 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -72.6 | 119.7 | 166.2 | -56.9 | 173.7 | 0 | 0 | 0 | 105.6 | M86 D90 | M86-I88 PolarHBondContact O-N 2.71Å; M86-I88 VanDerWaalsContact O-N 3.09Å; I88-D90 PolarHBondContact O-N 2.94Å | ||
| 89 | R | 66.9 | Low | 64.1 | Low | 228 Ų | 228 | 145.7 Ų | 145.7 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -75.3 | 103.3 | 166.5 | -76.3 | -178.6 | 176.1 | -178.6 | -2 | 106.7 | P87 S91 | P87-R89 PolarHBondContact O-N 3.22Å; R89-S91 PolarHBondContact O-N 3.27Å | ||
| 90 | D | 59.3 | Low | 64.2 | Low | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -71 | 84.8 | 168.1 | -62 | -33.1 | 0 | 0 | 0 | 108.6 | I88 N92 | I88-D90 PolarHBondContact O-N 2.94Å; D90-N92 PolarHBondContact O-N 3.11Å; D90-N92 VanDerWaalsContact O-N 3.12Å | ||
| 91 | S | 57.5 | Low | 63.9 | Low | 110 Ų | 110 | 143.4 Ų | 143.4 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -82.2 | 73.1 | 167 | 52.5 | 0 | 0 | 0 | 0 | 109 | R89 | R89-S91 PolarHBondContact O-N 3.27Š| ||
| 92 | N | 54.7 | Low | 63.7 | Low | 137 Ų | 137 | 146.2 Ų | 146.2 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -101 | 81.7 | 159.8 | -172.7 | 7.4 | 0 | 0 | 0 | 108.5 | D90 | D90-N92 PolarHBondContact O-N 3.11Å; D90-N92 VanDerWaalsContact O-N 3.12Å | ||
| 93 | V | 51.4 | Low | 63.2 | Low | 117 Ų | 117 | 150 Ų | 150 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | -127.1 | 107.5 | 157 | -90.4 | 0 | 0 | 0 | 0 | 105.7 | A95 | V93-A95 HydrophobicContact CB-CB 4.37Å; V93-A95 PolarHBondContact O-N 3.43Å | ||
| 94 | N | 48.5 | Very low | 62.6 | Low | 166 Ų | 166 | 153.7 Ų | 153.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -52 | 85.8 | 153.7 | -80.9 | -24.8 | 0 | 0 | 0 | 107.8 | ||||
| 95 | A | 51 | Low | 62 | Low | 67 Ų | 67 | 152 Ų | 152 | 55% | 0.554 | 79% | 0.793 | S | S | * | * | trans | -149.2 | 100 | 173.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | V93 S97 | V93-A95 HydrophobicContact CB-CB 4.37Å; V93-A95 PolarHBondContact O-N 3.43Å; A95-S97 VanDerWaalsContact C-N 3.28Å; A95-S97 PolarHBondContact O-N 3.02Å | ||
| 96 | E | 44 | Very low | 61 | Low | 213 Ų | 213 | 151.8 Ų | 151.8 | 100% | 0.995 | 79% | 0.792 | S | S | * | * | trans | -51.9 | 94.4 | 166.4 | -173.2 | 167.6 | -179.9 | 0 | 0 | 108.3 | ||||
| 97 | S | 51.6 | Low | 60.3 | Low | 96 Ų | 96 | 156 Ų | 156 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -128.6 | 124.8 | -178.8 | -171.8 | 0 | 0 | 0 | 0 | 107.3 | A95 A99 | A95-S97 VanDerWaalsContact C-N 3.28Å; A95-S97 PolarHBondContact O-N 3.02Å; S97-A99 PolarHBondContact O-N 2.9Å | ||
| 98 | P | 56.3 | Low | 59.4 | Low | 123 Ų | 123 | 156.8 Ų | 156.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 135.2 | -165.4 | 24.9 | -33.4 | 0 | 0 | 0 | 110.5 | ||||
| 99 | A | 60.8 | Low | 58.8 | Low | 84 Ų | 84 | 161 Ų | 161 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | -37.8 | 135.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S97 Q101 | S97-A99 PolarHBondContact O-N 2.9Å; A99-Q101 PolarHBondContact O-N 3Å | ||
| 100 | P | 63.9 | Low | 58.5 | Low | 121 Ų | 121 | 158 Ų | 158 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -60 | 109.7 | 178.6 | 25 | -32.2 | 0 | 0 | 0 | 108.1 | L102 | P100-L102 PolarHBondContact O-N 3.24Š| ||
| 101 | Q | 64.8 | Low | 58.3 | Low | 185 Ų | 185 | 160.1 Ų | 160.1 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -57.9 | 106.8 | 174.5 | -68.6 | -176.2 | 5.7 | 0 | 0 | 107.2 | A99 R103 | A99-Q101 PolarHBondContact O-N 3Å; Q101-R103 VanDerWaalsContact C-N 3.34Å; Q101-R103 PolarHBondContact O-N 2.98Å | ||
| 102 | L | 68 | Low | 58.2 | Low | 164 Ų | 164 | 166.2 Ų | 166.2 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -52 | 101.9 | 171.8 | -95.1 | 148 | 0 | 0 | 0 | 107.2 | P100 R104 | P100-L102 PolarHBondContact O-N 3.24Å; L102-R104 PolarHBondContact O-N 3.18Å | ||
| 103 | R | 63 | Low | 58.2 | Low | 246 Ų | 246 | 163.1 Ų | 163.1 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -70.2 | 76.8 | -178.3 | -159.1 | -179.4 | 135.7 | 141.5 | 1.1 | 107.8 | Q101 S105 | Q101-R103 VanDerWaalsContact C-N 3.34Å; Q101-R103 PolarHBondContact O-N 2.98Å; R103-S105 PolarHBondContact O-N 3.04Å | ||
| 104 | R | 62.3 | Low | 58.5 | Low | 233 Ų | 233 | 162.8 Ų | 162.8 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -60.7 | 104.7 | 174.2 | -87.5 | -172.5 | 172.8 | -176.3 | -0.8 | 107.2 | L102 R106 | L102-R104 PolarHBondContact O-N 3.18Å; R104-R106 PolarHBondContact O-N 3.48Å | ||
| 105 | S | 67.4 | Low | 58.9 | Low | 106 Ų | 106 | 162.6 Ų | 162.6 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -66.1 | 105.4 | 167.5 | 65.4 | 0 | 0 | 0 | 0 | 108 | R103 R107 | R103-S105 PolarHBondContact O-N 3.04Å; S105-R107 PolarHBondContact O-N 2.87Å | ||
| 106 | R | 57.5 | Low | 59.4 | Low | 235 Ų | 235 | 165.6 Ų | 165.6 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -68.3 | 82.8 | 161.7 | -92.7 | -177.1 | 165.4 | 176.8 | -3.3 | 107.9 | R104 I108 | R104-R106 PolarHBondContact O-N 3.48Å; R106-I108 VanDerWaalsContact C-N 3.34Å; R106-I108 PolarHBondContact O-N 3.39Å | ||
| 107 | R | 65.1 | Low | 60 | Low | 234 Ų | 234 | 161.4 Ų | 161.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -84.4 | 88.4 | 163.6 | -156.8 | 176.8 | -160 | 171.8 | 5.6 | 106.9 | S105 R109 | S105-R107 PolarHBondContact O-N 2.87Å; R107-R109 PolarHBondContact O-N 2.88Å | ||
| 108 | I | 60.8 | Low | 60.2 | Low | 138 Ų | 138 | 164.8 Ų | 164.8 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | trans | -62.4 | 106 | 168 | -65.5 | 167.8 | 0 | 0 | 0 | 105.8 | R106 Q110 | R106-I108 VanDerWaalsContact C-N 3.34Å; R106-I108 PolarHBondContact O-N 3.39Å; I108-Q110 VanDerWaalsContact C-N 3.31Å; I108-Q110 PolarHBondContact O-N 3.27Å | ||
| 109 | R | 61.1 | Low | 60.3 | Low | 233 Ų | 233 | 168 Ų | 168 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -70 | 96.3 | 170.7 | -170.5 | 178 | -174.4 | -179.2 | 1.1 | 105.7 | R107 Q111 | R107-R109 PolarHBondContact O-N 2.88Å; R109-Q111 PolarHBondContact O-N 2.76Å | ||
| 110 | Q | 58.7 | Low | 59.8 | Low | 164 Ų | 164 | 172.4 Ų | 172.4 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | -53.9 | 118 | 166.2 | -68.1 | -163.8 | -8.1 | 0 | 0 | 106.9 | I108 R112 | I108-Q110 VanDerWaalsContact C-N 3.31Å; I108-Q110 PolarHBondContact O-N 3.27Å; Q110-R112 VanDerWaalsContact C-N 3.27Å; Q110-R112 PolarHBondContact O-N 2.9Å | ||
| 111 | Q | 56.4 | Low | 59.5 | Low | 190 Ų | 190 | 171.2 Ų | 171.2 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -60 | 98.3 | 166.6 | -77.1 | -177.9 | -27.9 | 0 | 0 | 105.9 | R109 G113 | R109-Q111 PolarHBondContact O-N 2.76Å; Q111-G113 PolarHBondContact O-N 2.62Å | ||
| 112 | R | 56 | Low | 59.1 | Low | 238 Ų | 238 | 164.8 Ų | 164.8 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -64 | 116.9 | 163.3 | -76.9 | -173.2 | 173.6 | -166.8 | -2.8 | 105.5 | Q110 S114 | Q110-R112 VanDerWaalsContact C-N 3.27Å; Q110-R112 PolarHBondContact O-N 2.9Å; R112-S114 PolarHBondContact O-N 2.82Å | ||
| 113 | G | 54.2 | Low | 58.9 | Low | 72 Ų | 72 | 162.4 Ų | 162.4 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -47.7 | 137.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q111 L115 | Q111-G113 PolarHBondContact O-N 2.62Å; G113-L115 PolarHBondContact O-N 2.67Å | ||
| 114 | S | 57.4 | Low | 58.5 | Low | 110 Ų | 110 | 156.3 Ų | 156.3 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -69.3 | 106.7 | 167.4 | 50.2 | 0 | 0 | 0 | 0 | 108.2 | R112 V116 | R112-S114 PolarHBondContact O-N 2.82Å; S114-V116 PolarHBondContact O-N 2.87Å | ||
| 115 | L | 57.6 | Low | 58 | Low | 162 Ų | 162 | 150.8 Ų | 150.8 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -79.3 | 104.7 | 154.1 | -76.2 | 166.8 | 0 | 0 | 0 | 106.1 | G113 V117 | G113-L115 PolarHBondContact O-N 2.67Å; L115-V117 VanDerWaalsContact C-N 3.31Å; L115-V117 PolarHBondContact O-N 3.34Å | ||
| 116 | V | 59.8 | Low | 57 | Low | 130 Ų | 130 | 153.2 Ų | 153.2 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | -68 | 98.2 | 164.5 | 178.9 | 0 | 0 | 0 | 0 | 105.5 | S114 E118 | S114-V116 PolarHBondContact O-N 2.87Å; V116-E118 PolarHBondContact O-N 2.74Å | ||
| 117 | V | 56.5 | Low | 56.8 | Low | 125 Ų | 125 | 150 Ų | 150 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | trans | -84 | 102.8 | 165.3 | -178.2 | 0 | 0 | 0 | 0 | 105.5 | L115 K119 | L115-V117 VanDerWaalsContact C-N 3.31Å; L115-V117 PolarHBondContact O-N 3.34Å; V117-K119 PolarHBondContact O-N 2.88Å | ||
| 118 | E | 56.1 | Low | 56 | Low | 168 Ų | 168 | 146.5 Ų | 146.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -54.7 | 110.1 | 166 | -171.8 | 172.2 | 174.1 | 0 | 0 | 107.8 | V116 Q120 | V116-E118 PolarHBondContact O-N 2.74Å; E118-Q120 VanDerWaalsContact C-N 3.33Å; E118-Q120 PolarHBondContact O-N 3.41Å | ||
| 119 | K | 59.2 | Low | 55.7 | Low | 189 Ų | 189 | 146.4 Ų | 146.4 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -71 | 95.3 | 177.3 | -170.7 | -176.3 | -178.6 | -173.5 | 0 | 106.6 | V117 A121 | V117-K119 PolarHBondContact O-N 2.88Å; K119-A121 PolarHBondContact O-N 2.99Å | ||
| 120 | Q | 50.7 | Low | 55 | Low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -60.2 | 106.2 | 163.4 | -77 | -153.5 | 5.6 | 0 | 0 | 107.8 | E118 G122 | E118-Q120 VanDerWaalsContact C-N 3.33Å; E118-Q120 PolarHBondContact O-N 3.41Å; Q120-G122 PolarHBondContact O-N 2.86Å | ||
| 121 | A | 57.7 | Low | 54.6 | Low | 96 Ų | 96 | 145.7 Ų | 145.7 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -72.9 | 81.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | K119 | K119-A121 PolarHBondContact O-N 2.99Š| ||
| 122 | G | 55.9 | Low | 54.3 | Low | 49 Ų | 49 | 140.7 Ų | 140.7 | 51% | 0.505 | 78% | 0.776 | S | S | . | * | trans | -64 | 146.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q120 V124 | Q120-G122 PolarHBondContact O-N 2.86Å; G122-V124 PolarHBondContact O-N 2.73Å | ||
| 123 | P | 62.5 | Low | 53.9 | Low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -61 | 123.9 | 178.4 | 26.4 | -32.8 | 0 | 0 | 0 | 108.7 | V125 | P123-V125 PolarHBondContact O-N 2.96Š| ||
| 124 | V | 55.8 | Low | 53.7 | Low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | -70.5 | 93.6 | 163.6 | -158.7 | 0 | 0 | 0 | 0 | 104.8 | G122 F126 | G122-V124 PolarHBondContact O-N 2.73Å; V124-F126 HydrophobicContact CB-CD2 4.14Å; V124-F126 HydrophobicContact CB-CE2 4.27Å; V124-F126 HydrophobicContact CG1-CD2 3.86Å; V124-F126 HydrophobicContact CG1-CE2 3.83Å; V124-F126 PolarHBondContact O-N 3.33Å | ||
| 125 | V | 51.1 | Low | 53.1 | Low | 117 Ų | 117 | 135.9 Ų | 135.9 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -64.7 | 93.9 | 166.3 | -76.1 | 0 | 0 | 0 | 0 | 106.7 | P123 E127 | P123-V125 PolarHBondContact O-N 2.96Å; V125-E127 PolarHBondContact O-N 3.45Å | ||
| 126 | F | 47.4 | Very low | 52.4 | Low | 157 Ų | 157 | 135.9 Ų | 135.9 | 69% | 0.689 | 77% | 0.772 | S | S | * | * | trans | -73.2 | 67.1 | 164.2 | -92.7 | -92.8 | 0 | 0 | 0 | 107.8 | V124 I129 | V124-F126 HydrophobicContact CB-CD2 4.14Å; V124-F126 HydrophobicContact CB-CE2 4.27Å; V124-F126 HydrophobicContact CG1-CD2 3.86Å; V124-F126 HydrophobicContact CG1-CE2 3.83Å; V124-F126 PolarHBondContact O-N 3.33Å; F126-I129 HydrophobicContact CD1-CD1 4.08Å; F126-I129 HydrophobicContact CE1-CD1 4.14Å | ||
| 127 | E | 52.3 | Low | 52 | Low | 166 Ų | 166 | 137 Ų | 137 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -87.8 | 140.2 | 154.3 | -63.6 | -143.9 | 143.4 | 0 | 0 | 106.7 | V125 | V125-E127 PolarHBondContact O-N 3.45Š| ||
| 128 | D | 48.1 | Very low | 51.7 | Low | 162 Ų | 162 | 135 Ų | 135 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 104.3 | 12.7 | -174.9 | -52.2 | -14.9 | 0 | 0 | 0 | 117.6 | ||
| 129 | I | 54.8 | Low | 51.4 | Low | 135 Ų | 135 | 134.6 Ų | 134.6 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -129.4 | 32.1 | 159.3 | -37.2 | 178.3 | 0 | 0 | 0 | 112.2 | F126 | F126-I129 HydrophobicContact CD1-CD1 4.08Å; F126-I129 HydrophobicContact CE1-CD1 4.14Å |
| 130 | L | 46.6 | Very low | 51.2 | Low | 151 Ų | 151 | 130.5 Ų | 130.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -116.5 | 99.4 | 159.2 | -99.8 | 94.8 | 0 | 0 | 0 | 108.3 | ||||
| 131 | Y | 50.6 | Low | 51.2 | Low | 232 Ų | 232 | 129.6 Ų | 129.6 | 91% | 0.91 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 175.5 | 47.1 | 133.8 | -103.7 | -81 | 0 | 0 | 0 | 108.4 | ||
| 132 | G | 49 | Very low | 51.1 | Low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -116.7 | -2.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 133 | A | 49.4 | Very low | 51 | Low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -129.3 | -3.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 134 | V | 48.3 | Very low | 50.5 | Low | 147 Ų | 147 | 144.3 Ų | 144.3 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -143.9 | 33.1 | -173.2 | -155.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 135 | A | 45.6 | Very low | 50.3 | Low | 80 Ų | 80 | 149.4 Ų | 149.4 | 66% | 0.661 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -143.7 | 3.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 136 | L | 41.9 | Very low | 50.3 | Low | 161 Ų | 161 | 151 Ų | 151 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -114.9 | 30.4 | 177.1 | -105.6 | 168 | 0 | 0 | 0 | 114.8 | ||
| 137 | V | 51.9 | Low | 50.8 | Low | 154 Ų | 154 | 149.4 Ų | 149.4 | 93% | 0.933 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -101.4 | 8.2 | 164.5 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 138 | A | 50.7 | Low | 51 | Low | 83 Ų | 83 | 149.9 Ų | 149.9 | 69% | 0.686 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -134 | 23.5 | -166 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 139 | L | 50.4 | Low | 51.1 | Low | 160 Ų | 160 | 149.3 Ų | 149.3 | 84% | 0.838 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -150.4 | 8.7 | 178.1 | -108 | 148.9 | 0 | 0 | 0 | 117.9 | ||
| 140 | A | 53.5 | Low | 50.9 | Low | 103 Ų | 103 | 150.1 Ų | 150.1 | 85% | 0.851 | 87% | 0.867 | S | S | * | * | S | Bend | trans | -101.7 | 7.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 141 | D | 51.1 | Low | 51.2 | Low | 159 Ų | 159 | 150 Ų | 150 | 85% | 0.85 | 87% | 0.871 | S | S | * | * | S | Bend | trans | -127.1 | 35.6 | -173.2 | -148.8 | 12.6 | 0 | 0 | 0 | 114.3 | ||
| 142 | R | 56.4 | Low | 51.2 | Low | 230 Ų | 230 | 145.2 Ų | 145.2 | 87% | 0.868 | 87% | 0.869 | S | S | * | * | trans | -135.7 | 76.7 | 171.6 | -71 | -173 | -179.6 | 173.4 | 0.9 | 110.3 | ||||
| 143 | N | 53.6 | Low | 51.3 | Low | 177 Ų | 177 | 149 Ų | 149 | 95% | 0.947 | 87% | 0.869 | S | S | * | * | trans | -163 | 41.4 | 155.2 | -88.1 | -40.8 | 0 | 0 | 0 | 111.2 | ||||
| 144 | L | 52 | Low | 51.5 | Low | 162 Ų | 162 | 152.7 Ų | 152.7 | 85% | 0.848 | 88% | 0.875 | S | S | * | * | trans | -118.8 | 124.5 | 166.1 | -171.8 | 68.3 | 0 | 0 | 0 | 107.2 | ||||
| 145 | R | 52.2 | Low | 51.7 | Low | 224 Ų | 224 | 153.1 Ų | 153.1 | 85% | 0.845 | 87% | 0.874 | S | S | * | * | trans | 84.1 | 116.1 | -168.2 | -65.9 | 176.9 | 166.1 | -174.1 | -6 | 112.9 | ||||
| 146 | D | 50.4 | Low | 52.1 | Low | 150 Ų | 150 | 158.8 Ų | 158.8 | 80% | 0.802 | 89% | 0.891 | S | S | * | * | cis | -150 | 151.7 | 47.8 | -81.4 | -43.9 | 0 | 0 | 0 | 113.6 | ||||
| 147 | P | 57.6 | Low | 53 | Low | 124 Ų | 124 | 158.6 Ų | 158.6 | 81% | 0.805 | 90% | 0.895 | S | S | * | * | trans | -88.1 | 136.3 | 162.5 | 34.4 | -27.8 | 0 | 0 | 0 | 110.9 | ||||
| 148 | A | 56.2 | Low | 53.1 | Low | 177 Ų | 177 | 159 Ų | 159 | 100% | 1.463 | 89% | 0.891 | S | S | * | * | trans | -118.9 | 0 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 148 of 148 residues in 20.7 ms
(Link to these results)