| 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 | 51.7 | Low | 64.3 | Low | 154 Ų | 154 | 102.1 Ų | 102.1 | 76% | 0.759 | 58% | 0.581 | S | S | * | * | 0 | 150.8 | 0 | -132 | 76 | 111.7 | 0 | 0 | 107.4 | E17 | M1-E17 WeakPolarHBondContact CA-OE2 3.34Å; M1-E17 HydrophobicContact CB-CB 4.17Å; M1-E17 HydrophobicContact CB-CG 3.69Å; M1-E17 WeakPolarHBondContact CB-OE2 3.38Å; M1-E17 PolarHBondContact N-OE2 3.47Å; M1-E17 VanDerWaalsContact O-OE2 3.1Å | |||
| 2 | Y | 50.7 | Low | 65.9 | Low | 186 Ų | 186 | 97.3 Ų | 97.3 | 73% | 0.729 | 55% | 0.55 | S | S | * | . | trans | -100.4 | 147.6 | -177.6 | -70.6 | -87.8 | 0 | 0 | 0 | 110.6 | F4 | Y2-F4 PolarHBondContact O-N 3.3Š| ||
| 3 | D | 62.3 | Low | 67.2 | Low | 119 Ų | 119 | 90 Ų | 90 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | trans | -66.8 | 126.1 | 171 | -56.5 | -78.9 | 0 | 0 | 0 | 110.2 | ||||
| 4 | F | 68.2 | Low | 68.3 | Low | 34 Ų | 34 | 87.6 Ų | 87.6 | 15% | 0.149 | 50% | 0.497 | C | S | . | . | B | Isolated β-bridge | trans | -101.1 | 108.7 | 172.6 | 179.7 | -96.6 | 0 | 0 | 0 | 108.5 | Y2 E12 L13 T14 V15 W32 P46 Y49 | Y2-F4 PolarHBondContact O-N 3.3Å; F4-E12 HydrophobicContact CE1-CB 4.24Å; F4-E12 HydrophobicContact CZ-CB 4.46Å; F4-E12 HydrophobicContact CZ-CG 4.42Å; F4-E12 WeakPolarHBondContact CZ-OE1 2.99Å; F4-L13 VanDerWaalsContact CD1-O 3.26Å; F4-L13 WeakPolarHBondContact CD1-O 3.48Å; F4-L13 WeakPolarHBondContact CE1-O 3.16Å; F4-T14 CarbonylContact O-C 3.48Å; F4-T14 VanDerWaalsContact O-CA 3.25Å; F4-T14 WeakPolarHBondContact O-CA 3.43Å; F4-T14 WeakPolarHBondContact O-CG2 3.45Å; F4-V15 HydrophobicContact CB-CG2 3.69Å; F4-V15 HydrophobicContact CD1-CG2 4.21Å; F4-V15 HydrophobicContact CG-CG2 4.35Å; F4-V15 PolarHBondContact N-O 3.28Å; F4-V15 VanDerWaalsContact N-O 3.08Å; F4-V15 PolarHBondContact O-N 3.47Å; F4-W32 HydrophobicContact CZ-CZ3 4.42Å; F4-P46 HydrophobicContact CE2-CG 4.41Å; F4-Y49 HydrophobicContact CB-CD1 4.19Å; F4-Y49 HydrophobicContact CB-CE1 4.36Å |
| 5 | A | 70.1 | Confident | 68.8 | Low | 79 Ų | 79 | 82.6 Ų | 82.6 | 65% | 0.653 | 47% | 0.469 | S | S | * | . | trans | -91.7 | 114.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | A | 68.5 | Low | 69.5 | Low | 20 Ų | 20 | 82.6 Ų | 82.6 | 17% | 0.165 | 47% | 0.467 | C | S | . | . | trans | -69.2 | 141.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E12 L13 T14 | A6-E12 HydrophobicContact CB-CB 3.43Å; A6-E12 VanDerWaalsContact CB-CB 3.43Å; A6-E12 WeakPolarHBondContact CB-O 3.47Å; A6-L13 VanDerWaalsContact CB-C 3.5Å; A6-T14 VanDerWaalsContact CB-N 3.31Å; A6-T14 WeakPolarHBondContact CB-OG1 3.32Å; A6-T14 PolarHBondContact N-OG1 3.13Å | ||
| 7 | E | 68.6 | Low | 69.8 | Low | 121 Ų | 121 | 85.4 Ų | 85.4 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | trans | -78.5 | 131 | 171 | -66 | -161.2 | 96.6 | 0 | 0 | 110.8 | G9 N10 E12 | E7-G9 PolarHBondContact O-N 3.33Å; E7-G9 VanDerWaalsContact O-N 3.08Å; E7-N10 HydrophobicContact CB-CB 4.25Å; E7-N10 PolarHBondContact O-N 3.43Å; E7-N10 PolarHBondContact OE2-ND2 3.46Å; E7-E12 PolarHBondContact N-OE2 2.69Å | ||
| 8 | P | 60 | Low | 70.1 | Confident | 136 Ų | 136 | 84.9 Ų | 84.9 | 88% | 0.883 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 115.9 | 178.1 | 24.9 | -32.1 | 0 | 0 | 0 | 110.3 | ||
| 9 | G | 62 | Low | 70.8 | Confident | 78 Ų | 78 | 83.6 Ų | 83.6 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.8 | -6.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | E7 | E7-G9 PolarHBondContact O-N 3.33Å; E7-G9 VanDerWaalsContact O-N 3.08Å |
| 10 | N | 69.1 | Low | 71.4 | Confident | 87 Ų | 87 | 86 Ų | 86 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 17.7 | 176.2 | -94.6 | -14.1 | 0 | 0 | 0 | 113.5 | E7 E12 | E7-N10 HydrophobicContact CB-CB 4.25Å; E7-N10 PolarHBondContact O-N 3.43Å; E7-N10 PolarHBondContact OE2-ND2 3.46Å; N10-E12 HydrophobicContact CB-CG 4.27Å; N10-E12 WeakPolarHBondContact CB-OE2 3.34Å; N10-E12 PolarHBondContact O-N 3.45Å |
| 11 | N | 76.5 | Confident | 72.1 | Confident | 109 Ų | 109 | 83.1 Ų | 83.1 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 28.3 | 179.7 | 47.7 | -91.4 | 0 | 0 | 0 | 113.4 | G43 L44 | N11-G43 CarbonylContact O-C 3.4Å; N11-G43 WeakPolarHBondContact O-CA 3.44Å; N11-L44 VanDerWaalsContact ND2-CD1 3.34Å; N11-L44 WeakPolarHBondContact ND2-CD1 3.34Å; N11-L44 WeakPolarHBondContact O-CG 3.41Å; N11-L44 PolarHBondContact O-N 3.08Å |
| 12 | E | 83.8 | Confident | 73.8 | Confident | 44 Ų | 44 | 80.4 Ų | 80.4 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | B | Isolated β-bridge | trans | -91.7 | 153 | 174.6 | -70.8 | 168 | 106 | 0 | 0 | 110.3 | F4 A6 E7 N10 | F4-E12 HydrophobicContact CE1-CB 4.24Å; F4-E12 HydrophobicContact CZ-CB 4.46Å; F4-E12 HydrophobicContact CZ-CG 4.42Å; F4-E12 WeakPolarHBondContact CZ-OE1 2.99Å; A6-E12 HydrophobicContact CB-CB 3.43Å; A6-E12 VanDerWaalsContact CB-CB 3.43Å; A6-E12 WeakPolarHBondContact CB-O 3.47Å; E7-E12 PolarHBondContact N-OE2 2.69Å; N10-E12 HydrophobicContact CB-CG 4.27Å; N10-E12 WeakPolarHBondContact CB-OE2 3.34Å; N10-E12 PolarHBondContact O-N 3.45Å |
| 13 | L | 82.3 | Confident | 75.5 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.016 | 45% | 0.447 | C | S | . | . | trans | -111.8 | 123.1 | 177 | -176.9 | 71.2 | 0 | 0 | 0 | 111.3 | F4 A6 V15 I21 N37 E41 L44 V45 | F4-L13 VanDerWaalsContact CD1-O 3.26Å; F4-L13 WeakPolarHBondContact CD1-O 3.48Å; F4-L13 WeakPolarHBondContact CE1-O 3.16Å; A6-L13 VanDerWaalsContact CB-C 3.5Å; L13-V15 HydrophobicContact CD2-CG1 4.2Å; L13-V15 HydrophobicContact CG-CG1 4.28Å; L13-V15 PolarHBondContact O-N 2.73Å; L13-I21 HydrophobicContact CD2-CB 4.47Å; L13-I21 HydrophobicContact CD2-CD1 4.23Å; L13-I21 HydrophobicContact CD2-CG2 4.1Å; L13-N37 HydrophobicContact CD1-CB 4.09Å; L13-N37 HydrophobicContact CD2-CB 4.28Å; L13-E41 HydrophobicContact CD1-CB 3.82Å; L13-E41 WeakPolarHBondContact CD1-O 3.49Å; L13-L44 PolarHBondContact N-O 3.06Å; L13-V45 HydrophobicContact CB-CG2 3.69Å; L13-V45 HydrophobicContact CD2-CG2 3.98Å; L13-V45 HydrophobicContact CG-CG2 4.31Å | ||
| 14 | T | 82.3 | Confident | 76.7 | Confident | 56 Ų | 56 | 71.6 Ų | 71.6 | 34% | 0.344 | 43% | 0.434 | S | S | . | . | trans | -66.3 | 124.9 | 173 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | F4 A6 | F4-T14 CarbonylContact O-C 3.48Å; F4-T14 VanDerWaalsContact O-CA 3.25Å; F4-T14 WeakPolarHBondContact O-CA 3.43Å; F4-T14 WeakPolarHBondContact O-CG2 3.45Å; A6-T14 VanDerWaalsContact CB-N 3.31Å; A6-T14 WeakPolarHBondContact CB-OG1 3.32Å; A6-T14 PolarHBondContact N-OG1 3.13Å | ||
| 15 | V | 76 | Confident | 77.5 | Confident | 13 Ų | 13 | 74 Ų | 74 | 8% | 0.079 | 45% | 0.448 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 133 | 177.7 | -65.7 | 0 | 0 | 0 | 0 | 110.3 | F4 L13 I21 V45 | F4-V15 HydrophobicContact CB-CG2 3.69Å; F4-V15 HydrophobicContact CD1-CG2 4.21Å; F4-V15 HydrophobicContact CG-CG2 4.35Å; F4-V15 PolarHBondContact N-O 3.28Å; F4-V15 VanDerWaalsContact N-O 3.08Å; F4-V15 PolarHBondContact O-N 3.47Å; L13-V15 HydrophobicContact CD2-CG1 4.2Å; L13-V15 HydrophobicContact CG-CG1 4.28Å; L13-V15 PolarHBondContact O-N 2.73Å; V15-I21 HydrophobicContact CG1-CD1 4.13Å; V15-I21 HydrophobicContact CG1-CG2 3.89Å; V15-V45 HydrophobicContact CG1-CG1 4.28Å; V15-V45 HydrophobicContact CG1-CG2 3.95Å; V15-V45 HydrophobicContact CG2-CG1 3.96Å |
| 16 | N | 79.4 | Confident | 78.1 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 44% | 0.439 | 44% | 0.439 | S | S | . | . | trans | -100.7 | 155.9 | 176.5 | -56.8 | -86.7 | 0 | 0 | 0 | 110.4 | G18 E19 | N16-G18 PolarHBondContact O-N 2.94Å; N16-E19 HydrophobicContact CB-CB 4.36Å; N16-E19 PolarHBondContact N-OE1 3.02Å; N16-E19 PolarHBondContact ND2-OE1 3.09Å; N16-E19 VanDerWaalsContact O-CB 3.3Å; N16-E19 WeakPolarHBondContact O-CB 3.35Å; N16-E19 PolarHBondContact O-N 2.95Å | ||
| 17 | E | 75.8 | Confident | 78.7 | Confident | 130 Ų | 130 | 79.8 Ų | 79.8 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 125.6 | 173.5 | -175.8 | -179.1 | 103.9 | 0 | 0 | 110.7 | M1 E19 | M1-E17 WeakPolarHBondContact CA-OE2 3.34Å; M1-E17 HydrophobicContact CB-CB 4.17Å; M1-E17 HydrophobicContact CB-CG 3.69Å; M1-E17 WeakPolarHBondContact CB-OE2 3.38Å; M1-E17 PolarHBondContact N-OE2 3.47Å; M1-E17 VanDerWaalsContact O-OE2 3.1Å; E17-E19 VanDerWaalsContact C-N 3.34Å |
| 18 | G | 75.4 | Confident | 79.2 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 80% | 0.804 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 4.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N16 | N16-G18 PolarHBondContact O-N 2.94Š|
| 19 | E | 81.9 | Confident | 80.1 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 28% | 0.28 | 44% | 0.442 | S | S | . | . | trans | -78.9 | 130 | 174.3 | -173.4 | 151.5 | 47.2 | 0 | 0 | 111.7 | N16 E17 I21 | N16-E19 HydrophobicContact CB-CB 4.36Å; N16-E19 PolarHBondContact N-OE1 3.02Å; N16-E19 PolarHBondContact ND2-OE1 3.09Å; N16-E19 VanDerWaalsContact O-CB 3.3Å; N16-E19 WeakPolarHBondContact O-CB 3.35Å; N16-E19 PolarHBondContact O-N 2.95Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E19-I21 HydrophobicContact CG-CG2 4.4Å | ||
| 20 | I | 83.9 | Confident | 80.9 | Confident | 131 Ų | 131 | 73 Ų | 73 | 67% | 0.672 | 44% | 0.443 | S | S | * | . | trans | -88.7 | 120.6 | 174.3 | -58.2 | -77.1 | 0 | 0 | 0 | 108.5 | ||||
| 21 | I | 85.1 | Confident | 81.6 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | trans | -111.4 | 148.1 | 171.9 | 67.2 | 172 | 0 | 0 | 0 | 110.9 | L13 V15 E19 L33 R36 N37 V45 V50 | L13-I21 HydrophobicContact CD2-CB 4.47Å; L13-I21 HydrophobicContact CD2-CD1 4.23Å; L13-I21 HydrophobicContact CD2-CG2 4.1Å; V15-I21 HydrophobicContact CG1-CD1 4.13Å; V15-I21 HydrophobicContact CG1-CG2 3.89Å; E19-I21 HydrophobicContact CG-CG2 4.4Å; I21-L33 HydrophobicContact CD1-CD1 4.47Å; I21-R36 WeakPolarHBondContact CA-O 3.3Å; I21-N37 HydrophobicContact CG2-CB 4.26Å; I21-V45 HydrophobicContact CD1-CB 4.43Å; I21-V45 HydrophobicContact CD1-CG2 3.9Å; I21-V50 HydrophobicContact CD1-CG1 3.83Å | ||
| 22 | T | 88.1 | Confident | 82.1 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 113.6 | 174.2 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | T24 G35 R36 | T22-T24 PolarHBondContact O-N 3.36Å; T22-T24 PolarHBondContact O-OG1 2.96Å; T22-G35 CarbonylContact O-C 3.51Å; T22-G35 WeakPolarHBondContact O-CA 3.45Å; T22-R36 PolarHBondContact N-O 3.22Å; T22-R36 PolarHBondContact O-N 3.01Å |
| 23 | I | 86.3 | Confident | 82.3 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 31% | 0.308 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 121 | 174.3 | -58.2 | 172.5 | 0 | 0 | 0 | 108.4 | P26 L33 I52 | I23-P26 HydrophobicContact CG2-CB 3.99Å; I23-P26 HydrophobicContact CG2-CG 4.37Å; I23-L33 HydrophobicContact CD1-CD2 3.94Å; I23-L33 HydrophobicContact CG1-CD1 4.27Å; I23-L33 HydrophobicContact CG1-CD2 4.29Å; I23-I52 HydrophobicContact CD1-CD1 4.36Å; I23-I52 HydrophobicContact CD1-CG1 3.84Å; I23-I52 HydrophobicContact CD1-CG2 4.39Å |
| 24 | T | 87.3 | Confident | 82.6 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 37% | 0.368 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -39.2 | 178.2 | -45.7 | 0 | 0 | 0 | 0 | 110.6 | T22 E34 | T22-T24 PolarHBondContact O-N 3.36Å; T22-T24 PolarHBondContact O-OG1 2.96Å; T24-E34 PolarHBondContact N-O 3.1Å |
| 25 | N | 85.2 | Confident | 82.9 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 108.4 | 172.6 | -70.6 | -59.2 | 0 | 0 | 0 | 110.9 | V28 L33 E34 | N25-V28 HydrophobicContact CB-CG2 4.25Å; N25-L33 CarbonylContact O-C 3.59Å; N25-L33 WeakPolarHBondContact O-CA 3.49Å; N25-E34 HydrophobicContact CB-CB 3.95Å; N25-E34 PolarHBondContact N-O 2.85Å; N25-E34 PolarHBondContact ND2-OE1 3.45Å; N25-E34 PolarHBondContact O-N 3.13Å |
| 26 | P | 82.4 | Confident | 83.5 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -18.5 | 174.2 | 28.4 | -30.3 | 0 | 0 | 0 | 113.8 | I23 | I23-P26 HydrophobicContact CG2-CB 3.99Å; I23-P26 HydrophobicContact CG2-CG 4.37Å |
| 27 | D | 80.4 | Confident | 83.8 | Confident | 151 Ų | 151 | 68.2 Ų | 68.2 | 81% | 0.807 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 44.3 | -173.5 | -68.4 | -86 | 0 | 0 | 0 | 113.3 | G29 | D27-G29 PolarHBondContact O-N 3Å |
| 28 | V | 81 | Confident | 84.2 | Confident | 66 Ų | 66 | 68.9 Ų | 68.9 | 40% | 0.4 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | -26.5 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | N25 W32 E34 L44 | N25-V28 HydrophobicContact CB-CG2 4.25Å; V28-W32 HydrophobicContact CB-CB 4.39Å; V28-W32 WeakPolarHBondContact CB-O 3.47Å; V28-W32 HydrophobicContact CG1-CB 4.44Å; V28-E34 HydrophobicContact CG2-CB 3.95Å; V28-L44 HydrophobicContact CB-CD2 4.31Å; V28-L44 HydrophobicContact CG1-CD2 3.75Å; V28-L44 HydrophobicContact CG2-CD2 3.88Å |
| 29 | G | 77 | Confident | 84.5 | Confident | 46 Ų | 46 | 72 Ų | 72 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.7 | 157.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D27 G31 W32 | D27-G29 PolarHBondContact O-N 3Å; G29-G31 VanDerWaalsContact C-N 3.32Å; G29-G31 PolarHBondContact O-N 3.35Å; G29-W32 PolarHBondContact O-N 3.27Å |
| 30 | G | 79.8 | Confident | 84.6 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 84% | 0.835 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 21.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 31 | G | 84.1 | Confident | 84.6 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 20 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G29 T47 | G29-G31 VanDerWaalsContact C-N 3.32Å; G29-G31 PolarHBondContact O-N 3.35Å; G31-T47 PolarHBondContact O-N 2.97Å; G31-T47 PolarHBondContact O-OG1 3.45Å |
| 32 | W | 86.9 | Confident | 84.6 | Confident | 94 Ų | 94 | 74 Ų | 74 | 36% | 0.356 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.8 | 176.6 | -64.3 | 83.9 | 0 | 0 | 0 | 110.7 | F4 V28 G29 L44 P46 | F4-W32 HydrophobicContact CZ-CZ3 4.42Å; V28-W32 HydrophobicContact CB-CB 4.39Å; V28-W32 WeakPolarHBondContact CB-O 3.47Å; V28-W32 HydrophobicContact CG1-CB 4.44Å; G29-W32 PolarHBondContact O-N 3.27Å; W32-L44 HydrophobicContact CE3-CB 3.83Å; W32-L44 HydrophobicContact CZ3-CB 4.33Å; W32-P46 HydrophobicContact CE3-CB 4.29Å; W32-P46 HydrophobicContact CH2-CB 4.48Å; W32-P46 HydrophobicContact CZ3-CB 4.26Å; W32-P46 HydrophobicContact CZ3-CG 4.3Å |
| 33 | L | 88 | Confident | 84.6 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.6 | 168.3 | 61.7 | 76 | 0 | 0 | 0 | 110.8 | I21 I23 N25 L44 V45 T47 V50 I52 | I21-L33 HydrophobicContact CD1-CD1 4.47Å; I23-L33 HydrophobicContact CD1-CD2 3.94Å; I23-L33 HydrophobicContact CG1-CD1 4.27Å; I23-L33 HydrophobicContact CG1-CD2 4.29Å; N25-L33 CarbonylContact O-C 3.59Å; N25-L33 WeakPolarHBondContact O-CA 3.49Å; L33-L44 CarbonylContact O-C 3.58Å; L33-L44 VanDerWaalsContact O-CA 3.32Å; L33-L44 WeakPolarHBondContact O-CA 3.37Å; L33-V45 HydrophobicContact CD1-CB 4.04Å; L33-V45 PolarHBondContact N-O 3.4Å; L33-V45 PolarHBondContact O-N 2.98Å; L33-T47 HydrophobicContact CD2-CG2 4.22Å; L33-T47 HydrophobicContact CG-CG2 4.47Å; L33-V50 HydrophobicContact CD1-CG2 4.07Å; L33-V50 HydrophobicContact CD2-CB 4.37Å; L33-V50 HydrophobicContact CD2-CG2 3.37Å; L33-V50 HydrophobicContact CG-CG2 3.8Å; L33-I52 HydrophobicContact CD2-CD1 4.32Å; L33-I52 HydrophobicContact CD2-CG1 4.43Å |
| 34 | E | 88.5 | Confident | 84.7 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.5 | 172.8 | -167.6 | -178.1 | 69.2 | 0 | 0 | 109.2 | T24 N25 V28 G43 L44 | T24-E34 PolarHBondContact N-O 3.1Å; N25-E34 HydrophobicContact CB-CB 3.95Å; N25-E34 PolarHBondContact N-O 2.85Å; N25-E34 PolarHBondContact ND2-OE1 3.45Å; N25-E34 PolarHBondContact O-N 3.13Å; V28-E34 HydrophobicContact CG2-CB 3.95Å; E34-G43 WeakPolarHBondContact CA-O 3.26Å; E34-L44 HydrophobicContact CB-CD2 4.1Å; E34-L44 HydrophobicContact CG-CD2 4.45Å |
| 35 | G | 88.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 166.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T22 R42 G43 | T22-G35 CarbonylContact O-C 3.51Å; T22-G35 WeakPolarHBondContact O-CA 3.45Å; G35-R42 VanDerWaalsContact O-CA 3.25Å; G35-R42 WeakPolarHBondContact O-CA 3.25Å; G35-G43 PolarHBondContact N-O 3.47Å; G35-G43 PolarHBondContact O-N 2.9Å; G35-G43 VanDerWaalsContact O-N 3.07Å |
| 36 | R | 88.5 | Confident | 84.5 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.9 | 168.5 | 175 | 172.6 | -100.6 | -160.1 | -4.7 | 109.9 | I21 T22 G40 E41 R42 | I21-R36 WeakPolarHBondContact CA-O 3.3Å; T22-R36 PolarHBondContact N-O 3.22Å; T22-R36 PolarHBondContact O-N 3.01Å; R36-G40 PolarHBondContact NE-O 2.78Å; R36-G40 PolarHBondContact NH2-O 2.8Å; R36-E41 CarbonylContact C-O 3.6Å; R36-E41 VanDerWaalsContact CA-O 3.25Å; R36-E41 WeakPolarHBondContact CA-O 3.25Å; R36-R42 HydrophobicContact CB-CG 3.99Å; R36-R42 HydrophobicContact CG-CG 4.15Å; R36-R42 VanDerWaalsContact CZ-NE 3.27Å; R36-R42 VanDerWaalsContact CZ-NH2 3.32Å; R36-R42 VanDerWaalsContact NH2-NE 3.18Å |
| 37 | N | 86.4 | Confident | 84.5 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | trans | -84.4 | 175.2 | 174.3 | 71.7 | 6.6 | 0 | 0 | 0 | 112.5 | L13 I21 K39 G40 E41 | L13-N37 HydrophobicContact CD1-CB 4.09Å; L13-N37 HydrophobicContact CD2-CB 4.28Å; I21-N37 HydrophobicContact CG2-CB 4.26Å; N37-K39 PolarHBondContact O-N 2.83Å; N37-K39 WeakPolarHBondContact OD1-CA 3.14Å; N37-K39 WeakPolarHBondContact OD1-CB 3.34Å; N37-K39 PolarHBondContact OD1-N 2.9Å; N37-G40 PolarHBondContact O-N 3.04Å; N37-G40 PolarHBondContact OD1-N 3.49Å; N37-E41 PolarHBondContact N-O 2.64Å; N37-E41 PolarHBondContact ND2-OE2 3.24Å; N37-E41 WeakPolarHBondContact OD1-CB 3.12Å; N37-E41 PolarHBondContact OD1-N 3.23Å; N37-E41 PolarHBondContact OD1-O 2.9Å | ||
| 38 | I | 83.4 | Confident | 84.6 | Confident | 144 Ų | 144 | 61.4 Ų | 61.4 | 74% | 0.738 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.3 | 178.2 | 77.5 | 152.6 | 0 | 0 | 0 | 112.9 | G40 | I38-G40 PolarHBondContact O-N 2.76Š|
| 39 | K | 82.6 | Confident | 84.4 | Confident | 144 Ų | 144 | 62.9 Ų | 62.9 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.5 | 177.8 | -58.9 | 172.5 | 62.9 | -140 | 0 | 111.7 | N37 E41 | N37-K39 PolarHBondContact O-N 2.83Å; N37-K39 WeakPolarHBondContact OD1-CA 3.14Å; N37-K39 WeakPolarHBondContact OD1-CB 3.34Å; N37-K39 PolarHBondContact OD1-N 2.9Å; K39-E41 VanDerWaalsContact C-N 3.35Å; K39-E41 HydrophobicContact CB-CG 4.44Å; K39-E41 WeakPolarHBondContact CD-OE2 3.07Å; K39-E41 WeakPolarHBondContact CE-OE2 3.25Å; K39-E41 IonicContact NZ-OE1 3.01Å; K39-E41 PolarHBondContact NZ-OE1 3.47Å; K39-E41 IonicContact NZ-OE2 2.71Å; K39-E41 PolarHBondContact NZ-OE2 2.78Å |
| 40 | G | 83.3 | Confident | 84.2 | Confident | 31 Ų | 31 | 62 Ų | 62 | 32% | 0.32 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 88.3 | 0.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R36 N37 I38 | R36-G40 PolarHBondContact NE-O 2.78Å; R36-G40 PolarHBondContact NH2-O 2.8Å; N37-G40 PolarHBondContact O-N 3.04Å; N37-G40 PolarHBondContact OD1-N 3.49Å; I38-G40 PolarHBondContact O-N 2.76Å |
| 41 | E | 83.4 | Confident | 84.2 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | trans | -70.9 | 142.2 | 174.5 | -63.1 | 162 | 137.8 | 0 | 0 | 109.2 | L13 R36 N37 K39 | L13-E41 HydrophobicContact CD1-CB 3.82Å; L13-E41 WeakPolarHBondContact CD1-O 3.49Å; R36-E41 CarbonylContact C-O 3.6Å; R36-E41 VanDerWaalsContact CA-O 3.25Å; R36-E41 WeakPolarHBondContact CA-O 3.25Å; N37-E41 PolarHBondContact N-O 2.64Å; N37-E41 PolarHBondContact ND2-OE2 3.24Å; N37-E41 WeakPolarHBondContact OD1-CB 3.12Å; N37-E41 PolarHBondContact OD1-N 3.23Å; N37-E41 PolarHBondContact OD1-O 2.9Å; K39-E41 VanDerWaalsContact C-N 3.35Å; K39-E41 HydrophobicContact CB-CG 4.44Å; K39-E41 WeakPolarHBondContact CD-OE2 3.07Å; K39-E41 WeakPolarHBondContact CE-OE2 3.25Å; K39-E41 IonicContact NZ-OE1 3.01Å; K39-E41 PolarHBondContact NZ-OE1 3.47Å; K39-E41 IonicContact NZ-OE2 2.71Å; K39-E41 PolarHBondContact NZ-OE2 2.78Å | ||
| 42 | R | 86.6 | Confident | 83.7 | Confident | 139 Ų | 139 | 68.7 Ų | 68.7 | 53% | 0.525 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.6 | 178.6 | -61.3 | -175.2 | 179 | 161.6 | 1.4 | 109.4 | G35 R36 | G35-R42 VanDerWaalsContact O-CA 3.25Å; G35-R42 WeakPolarHBondContact O-CA 3.25Å; R36-R42 HydrophobicContact CB-CG 3.99Å; R36-R42 HydrophobicContact CG-CG 4.15Å; R36-R42 VanDerWaalsContact CZ-NE 3.27Å; R36-R42 VanDerWaalsContact CZ-NH2 3.32Å; R36-R42 VanDerWaalsContact NH2-NE 3.18Å |
| 43 | G | 87.4 | Confident | 82.9 | Confident | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N11 E34 G35 | N11-G43 CarbonylContact O-C 3.4Å; N11-G43 WeakPolarHBondContact O-CA 3.44Å; E34-G43 WeakPolarHBondContact CA-O 3.26Å; G35-G43 PolarHBondContact N-O 3.47Å; G35-G43 PolarHBondContact O-N 2.9Å; G35-G43 VanDerWaalsContact O-N 3.07Å |
| 44 | L | 87.6 | Confident | 81.6 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 134.4 | 179.7 | -58.9 | -176.9 | 0 | 0 | 0 | 110 | N11 L13 V28 W32 L33 E34 | N11-L44 VanDerWaalsContact ND2-CD1 3.34Å; N11-L44 WeakPolarHBondContact ND2-CD1 3.34Å; N11-L44 WeakPolarHBondContact O-CG 3.41Å; N11-L44 PolarHBondContact O-N 3.08Å; L13-L44 PolarHBondContact N-O 3.06Å; V28-L44 HydrophobicContact CB-CD2 4.31Å; V28-L44 HydrophobicContact CG1-CD2 3.75Å; V28-L44 HydrophobicContact CG2-CD2 3.88Å; W32-L44 HydrophobicContact CE3-CB 3.83Å; W32-L44 HydrophobicContact CZ3-CB 4.33Å; L33-L44 CarbonylContact O-C 3.58Å; L33-L44 VanDerWaalsContact O-CA 3.32Å; L33-L44 WeakPolarHBondContact O-CA 3.37Å; E34-L44 HydrophobicContact CB-CD2 4.1Å; E34-L44 HydrophobicContact CG-CD2 4.45Å |
| 45 | V | 85.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.5 | 174.4 | -170.5 | 0 | 0 | 0 | 0 | 107.3 | L13 V15 I21 L33 V50 | L13-V45 HydrophobicContact CB-CG2 3.69Å; L13-V45 HydrophobicContact CD2-CG2 3.98Å; L13-V45 HydrophobicContact CG-CG2 4.31Å; V15-V45 HydrophobicContact CG1-CG1 4.28Å; V15-V45 HydrophobicContact CG1-CG2 3.95Å; V15-V45 HydrophobicContact CG2-CG1 3.96Å; I21-V45 HydrophobicContact CD1-CB 4.43Å; I21-V45 HydrophobicContact CD1-CG2 3.9Å; L33-V45 HydrophobicContact CD1-CB 4.04Å; L33-V45 PolarHBondContact N-O 3.4Å; L33-V45 PolarHBondContact O-N 2.98Å; V45-V50 HydrophobicContact CB-CG1 4.21Å; V45-V50 HydrophobicContact CG1-CG1 3.45Å; V45-V50 VanDerWaalsContact CG1-CG1 3.45Å |
| 46 | P | 83.8 | Confident | 78.3 | Confident | 16 Ų | 16 | 86.3 Ų | 86.3 | 10% | 0.104 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.1 | 175.9 | 25.4 | -32.7 | 0 | 0 | 0 | 110.6 | F4 W32 D48 Y49 V50 | F4-P46 HydrophobicContact CE2-CG 4.41Å; W32-P46 HydrophobicContact CE3-CB 4.29Å; W32-P46 HydrophobicContact CH2-CB 4.48Å; W32-P46 HydrophobicContact CZ3-CB 4.26Å; W32-P46 HydrophobicContact CZ3-CG 4.3Å; P46-D48 PolarHBondContact O-N 3.4Å; P46-D48 VanDerWaalsContact O-N 3.13Å; P46-Y49 HydrophobicContact CB-CD2 4.19Å; P46-Y49 HydrophobicContact CG-CD2 3.43Å; P46-Y49 VanDerWaalsContact CG-CD2 3.43Å; P46-Y49 HydrophobicContact CG-CE2 4.06Å; P46-Y49 HydrophobicContact CG-CG 4.02Å; P46-Y49 PolarHBondContact O-N 3.35Å; P46-V50 WeakPolarHBondContact O-CG2 3.39Å |
| 47 | T | 83.3 | Confident | 76.5 | Confident | 58 Ų | 58 | 84 Ų | 84 | 36% | 0.356 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -58.9 | -26.5 | -179.7 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | G31 L33 Y49 V50 | G31-T47 PolarHBondContact O-N 2.97Å; G31-T47 PolarHBondContact O-OG1 3.45Å; L33-T47 HydrophobicContact CD2-CG2 4.22Å; L33-T47 HydrophobicContact CG-CG2 4.47Å; T47-Y49 PolarHBondContact O-N 3.06Å; T47-V50 PolarHBondContact O-N 3Å |
| 48 | D | 81.6 | Confident | 74.5 | Confident | 146 Ų | 146 | 91 Ų | 91 | 78% | 0.781 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -64.4 | -21.1 | 175.7 | -75.8 | -93.9 | 0 | 0 | 0 | 114 | P46 | P46-D48 PolarHBondContact O-N 3.4Å; P46-D48 VanDerWaalsContact O-N 3.13Å |
| 49 | Y | 76.5 | Confident | 73.1 | Confident | 98 Ų | 98 | 91.2 Ų | 91.2 | 38% | 0.384 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -100.9 | -2.2 | -177.2 | -75.6 | -107.1 | 0 | 0 | 0 | 113 | F4 P46 T47 | F4-Y49 HydrophobicContact CB-CD1 4.19Å; F4-Y49 HydrophobicContact CB-CE1 4.36Å; P46-Y49 HydrophobicContact CB-CD2 4.19Å; P46-Y49 HydrophobicContact CG-CD2 3.43Å; P46-Y49 VanDerWaalsContact CG-CD2 3.43Å; P46-Y49 HydrophobicContact CG-CE2 4.06Å; P46-Y49 HydrophobicContact CG-CG 4.02Å; P46-Y49 PolarHBondContact O-N 3.35Å; T47-Y49 PolarHBondContact O-N 3.06Å |
| 50 | V | 73.9 | Confident | 71.5 | Confident | 26 Ų | 26 | 90.4 Ų | 90.4 | 16% | 0.158 | 48% | 0.483 | C | S | . | . | trans | -132.3 | 122.7 | -172.7 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | I21 L33 V45 P46 T47 | I21-V50 HydrophobicContact CD1-CG1 3.83Å; L33-V50 HydrophobicContact CD1-CG2 4.07Å; L33-V50 HydrophobicContact CD2-CB 4.37Å; L33-V50 HydrophobicContact CD2-CG2 3.37Å; L33-V50 HydrophobicContact CG-CG2 3.8Å; V45-V50 HydrophobicContact CB-CG1 4.21Å; V45-V50 HydrophobicContact CG1-CG1 3.45Å; V45-V50 VanDerWaalsContact CG1-CG1 3.45Å; P46-V50 WeakPolarHBondContact O-CG2 3.39Å; T47-V50 PolarHBondContact O-N 3Å | ||
| 51 | E | 77.8 | Confident | 69.7 | Low | 159 Ų | 159 | 96.4 Ų | 96.4 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | trans | -91.4 | 111.4 | 174 | -168.2 | 175.3 | 155.1 | 0 | 0 | 108.7 | L53 | E51-L53 PolarHBondContact O-N 3Å; E51-L53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | I | 74.4 | Confident | 67.9 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | trans | -73.6 | 104.2 | 173.3 | -54.2 | 178.9 | 0 | 0 | 0 | 107.2 | I23 L33 P54 | I23-I52 HydrophobicContact CD1-CD1 4.36Å; I23-I52 HydrophobicContact CD1-CG1 3.84Å; I23-I52 HydrophobicContact CD1-CG2 4.39Å; L33-I52 HydrophobicContact CD2-CD1 4.32Å; L33-I52 HydrophobicContact CD2-CG1 4.43Å; I52-P54 WeakPolarHBondContact O-CD 3.47Å | ||
| 53 | L | 69.9 | Low | 65.7 | Low | 120 Ų | 120 | 97.2 Ų | 97.2 | 63% | 0.628 | 54% | 0.536 | S | S | * | . | trans | -63.2 | 120.3 | 175.3 | -64.2 | 174.4 | 0 | 0 | 0 | 108.8 | E51 S55 | E51-L53 PolarHBondContact O-N 3Å; E51-L53 VanDerWaalsContact O-N 3.1Å; L53-S55 PolarHBondContact O-N 2.73Å | ||
| 54 | P | 60.3 | Low | 63.6 | Low | 118 Ų | 118 | 99.1 Ų | 99.1 | 77% | 0.766 | 56% | 0.556 | S | S | * | * | trans | -62.9 | 109.9 | 173.8 | 25.1 | -31 | 0 | 0 | 0 | 107.7 | I52 D56 | I52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-D56 PolarHBondContact O-N 3.19Å; P54-D56 VanDerWaalsContact O-N 3.09Å | ||
| 55 | S | 51.1 | Low | 62.2 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 79% | 0.79 | 59% | 0.59 | S | S | * | * | trans | -70.2 | 106.1 | 165 | -69.9 | 0 | 0 | 0 | 0 | 106.4 | L53 G57 | L53-S55 PolarHBondContact O-N 2.73Å; S55-G57 PolarHBondContact O-N 3.07Å | ||
| 56 | D | 56.5 | Low | 60.5 | Low | 171 Ų | 171 | 109.1 Ų | 109.1 | 91% | 0.914 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -31.4 | 117.7 | 175 | -167 | -111.1 | 0 | 0 | 0 | 112.1 | P54 | P54-D56 PolarHBondContact O-N 3.19Å; P54-D56 VanDerWaalsContact O-N 3.09Å |
| 57 | G | 52.4 | Low | 59.1 | Low | 48 Ų | 48 | 114.4 Ų | 114.4 | 50% | 0.495 | 65% | 0.648 | S | S | . | * | S | Bend | trans | 119.3 | 29.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | S55 | S55-G57 PolarHBondContact O-N 3.07Š|
| 58 | K | 44.3 | Very low | 57.8 | Low | 157 Ų | 157 | 115.3 Ų | 115.3 | 68% | 0.683 | 66% | 0.661 | S | S | * | * | trans | -149.9 | 66.9 | 169.5 | -63.5 | -66 | 160.1 | 56.6 | 0 | 112.1 | Q60 | K58-Q60 VanDerWaalsContact C-N 3.26Å; K58-Q60 HydrophobicContact CB-CG 3.9Å; K58-Q60 PolarHBondContact O-N 3.04Å | ||
| 59 | D | 52.5 | Low | 56.5 | Low | 148 Ų | 148 | 113.3 Ų | 113.3 | 79% | 0.791 | 65% | 0.65 | S | S | * | * | trans | -56.6 | 92 | 151.7 | 15.4 | -109.3 | 0 | 0 | 0 | 108.1 | ||||
| 60 | Q | 48.8 | Very low | 55.5 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.593 | 66% | 0.661 | S | S | * | * | trans | -111.3 | 87.2 | -178.4 | -68.4 | -168.9 | 83.1 | 0 | 0 | 110 | K58 | K58-Q60 VanDerWaalsContact C-N 3.26Å; K58-Q60 HydrophobicContact CB-CG 3.9Å; K58-Q60 PolarHBondContact O-N 3.04Å | ||
| 61 | F | 45.7 | Very low | 54.7 | Low | 156 Ų | 156 | 117 Ų | 117 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | trans | 59.1 | 86.5 | 138.2 | -35.4 | -64.1 | 0 | 0 | 0 | 113.9 | C63 | F61-C63 PolarHBondContact O-N 3.24Š| ||
| 62 | S | 45.5 | Very low | 53.8 | Low | 118 Ų | 118 | 116.1 Ų | 116.1 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | 14.6 | 61.9 | 82 | -165.8 | 0 | 0 | 0 | 0 | 113.5 | G64 | S62-G64 PolarHBondContact O-N 3.08Š| |||
| 63 | C | 42 | Very low | 52.8 | Low | 127 Ų | 127 | 116 Ų | 116 | 86% | 0.858 | 68% | 0.676 | S | S | * | * | trans | -75 | 50.1 | 152.3 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | F61 | F61-C63 PolarHBondContact O-N 3.24Š| ||
| 64 | G | 43.4 | Very low | 52.2 | Low | 43 Ų | 43 | 116.1 Ų | 116.1 | 44% | 0.443 | 68% | 0.677 | S | S | . | * | trans | -99.8 | 103.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | S62 S66 | S62-G64 PolarHBondContact O-N 3.08Å; G64-S66 PolarHBondContact O-N 2.71Å | ||
| 65 | N | 57.3 | Low | 52 | Low | 163 Ų | 163 | 114 Ų | 114 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | trans | -57.4 | 80.7 | 153.4 | -82.1 | 13.1 | 0 | 0 | 0 | 107.3 | V67 | N65-V67 PolarHBondContact O-N 2.81Å; N65-V67 VanDerWaalsContact O-N 3.13Å | ||
| 66 | S | 49.8 | Very low | 52.4 | Low | 80 Ų | 80 | 113.5 Ų | 113.5 | 56% | 0.559 | 65% | 0.653 | S | S | * | * | trans | -78.5 | 99.5 | 166.6 | -86.7 | 0 | 0 | 0 | 0 | 105.7 | G64 A68 D69 | G64-S66 PolarHBondContact O-N 2.71Å; S66-A68 PolarHBondContact O-N 3.04Å; S66-D69 VanDerWaalsContact O-OD1 3.05Å | ||
| 67 | V | 54.3 | Low | 52.5 | Low | 126 Ų | 126 | 110.1 Ų | 110.1 | 76% | 0.764 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.1 | 8.4 | 164.4 | -65.2 | 0 | 0 | 0 | 0 | 115.7 | N65 | N65-V67 PolarHBondContact O-N 2.81Å; N65-V67 VanDerWaalsContact O-N 3.13Å |
| 68 | A | 55.3 | Low | 52.6 | Low | 77 Ų | 77 | 111.6 Ų | 111.6 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -26.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | S66 | S66-A68 PolarHBondContact O-N 3.04Š|
| 69 | D | 55.7 | Low | 53.1 | Low | 104 Ų | 104 | 108.9 Ų | 108.9 | 56% | 0.556 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -10.9 | 178 | 42.3 | -97 | 0 | 0 | 0 | 114.1 | S66 A71 | S66-D69 VanDerWaalsContact O-OD1 3.05Å; D69-A71 VanDerWaalsContact C-N 3.3Å; D69-A71 PolarHBondContact O-N 3.23Å |
| 70 | Q | 54.7 | Low | 53.4 | Low | 128 Ų | 128 | 107.9 Ų | 107.9 | 60% | 0.598 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.6 | -15.8 | 175.2 | -65.9 | -71.6 | -89.6 | 0 | 0 | 113.6 | ||
| 71 | A | 57 | Low | 53.8 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 60% | 0.603 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -80.5 | -23.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D69 | D69-A71 VanDerWaalsContact C-N 3.3Å; D69-A71 PolarHBondContact O-N 3.23Å |
| 72 | F | 58.7 | Low | 54.1 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 62% | 0.623 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77.3 | -38.8 | 177.6 | 175.4 | -111.2 | 0 | 0 | 0 | 112 | S75 L76 | F72-S75 PolarHBondContact O-N 2.89Å; F72-L76 HydrophobicContact CD1-CD1 3.95Å; F72-L76 HydrophobicContact CD2-CD1 4.39Å; F72-L76 HydrophobicContact CE1-CD1 3.42Å; F72-L76 VanDerWaalsContact CE1-CD1 3.42Å; F72-L76 HydrophobicContact CE2-CD1 3.91Å; F72-L76 HydrophobicContact CG-CD1 4.42Å; F72-L76 HydrophobicContact CZ-CD1 3.41Å; F72-L76 VanDerWaalsContact CZ-CD1 3.41Å; F72-L76 HydrophobicContact CZ-CG 4.46Å; F72-L76 PolarHBondContact O-N 3Å |
| 73 | L | 53.8 | Low | 54.1 | Low | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -77.2 | -32.4 | -172.7 | -53.8 | 170.8 | 0 | 0 | 0 | 112.1 | S77 | L73-S77 PolarHBondContact O-N 3.36Å |
| 74 | D | 56.8 | Low | 54.3 | Low | 121 Ų | 121 | 110.5 Ų | 110.5 | 65% | 0.647 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.7 | -39.4 | 172.5 | -177 | -108 | 0 | 0 | 0 | 111.9 | L76 S77 A78 | D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 3.36Å; D74-S77 PolarHBondContact O-N 3.24Å; D74-A78 PolarHBondContact O-N 3.04Å |
| 75 | S | 56.8 | Low | 54.8 | Low | 75 Ų | 75 | 113.9 Ų | 113.9 | 52% | 0.524 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -69.7 | -24.7 | -178.9 | -166.2 | 0 | 0 | 0 | 0 | 113.9 | F72 | F72-S75 PolarHBondContact O-N 2.89Å |
| 76 | L | 58.3 | Low | 54.7 | Low | 102 Ų | 102 | 111.3 Ų | 111.3 | 53% | 0.534 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -80.3 | -31.2 | 175.7 | -79.6 | 156 | 0 | 0 | 0 | 112.4 | F72 D74 | F72-L76 HydrophobicContact CD1-CD1 3.95Å; F72-L76 HydrophobicContact CD2-CD1 4.39Å; F72-L76 HydrophobicContact CE1-CD1 3.42Å; F72-L76 VanDerWaalsContact CE1-CD1 3.42Å; F72-L76 HydrophobicContact CE2-CD1 3.91Å; F72-L76 HydrophobicContact CG-CD1 4.42Å; F72-L76 HydrophobicContact CZ-CD1 3.41Å; F72-L76 VanDerWaalsContact CZ-CD1 3.41Å; F72-L76 HydrophobicContact CZ-CG 4.46Å; F72-L76 PolarHBondContact O-N 3Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 3.36Å |
| 77 | S | 58.8 | Low | 55 | Low | 100 Ų | 100 | 113 Ų | 113 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -77.2 | -26.3 | 179 | -164.3 | 0 | 0 | 0 | 0 | 112.7 | L73 D74 S79 | L73-S77 PolarHBondContact O-N 3.36Å; D74-S77 PolarHBondContact O-N 3.24Å; S77-S79 VanDerWaalsContact C-N 3.35Å; S77-S79 PolarHBondContact O-N 3.01Å |
| 78 | A | 55.3 | Low | 55 | Low | 79 Ų | 79 | 112.2 Ų | 112.2 | 65% | 0.653 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -10.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D74 | D74-A78 PolarHBondContact O-N 3.04Š|
| 79 | S | 55.3 | Low | 55 | Low | 100 Ų | 100 | 114.4 Ų | 114.4 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 5.9 | -170.7 | -67.6 | 0 | 0 | 0 | 0 | 116.4 | S77 | S77-S79 VanDerWaalsContact C-N 3.35Å; S77-S79 PolarHBondContact O-N 3.01Å |
| 80 | T | 58.7 | Low | 54.9 | Low | 126 Ų | 126 | 115.1 Ų | 115.1 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -103.2 | 11.5 | 179.9 | 89.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 81 | A | 57.6 | Low | 55 | Low | 85 Ų | 85 | 114.2 Ų | 114.2 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -143.2 | 58.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 82 | Q | 50.2 | Low | 54.8 | Low | 198 Ų | 198 | 117.4 Ų | 117.4 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | trans | -162.2 | 106.6 | 147.4 | -75.4 | -147.9 | -87.7 | 0 | 0 | 110.7 | ||||
| 83 | A | 45.9 | Very low | 54.5 | Low | 98 Ų | 98 | 115.3 Ų | 115.3 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | 174.5 | 104.8 | 131.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 84 | S | 46.1 | Very low | 54.5 | Low | 202 Ų | 202 | 116.9 Ų | 116.9 | 100% | 1.413 | 76% | 0.762 | S | S | * | * | trans | 62.6 | 0 | 149 | -57.9 | 0 | 0 | 0 | 0 | 120.8 |
Retrieved 84 of 84 residues in 205.3 ms
(Link to these results)