| 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 | 34.9 | Very low | 41.1 | Very low | 240 Ų | 240 | 103.2 Ų | 103.2 | 100% | 1.182 | 60% | 0.601 | S | S | * | * | 0 | 93.3 | 0 | -74.2 | 162.3 | 168.1 | 0 | 0 | 106.7 | T3 | M1-T3 PolarHBondContact O-N 2.98Š| |||
| 2 | A | 35 | Very low | 41.6 | Very low | 102 Ų | 102 | 103.1 Ų | 103.1 | 84% | 0.843 | 62% | 0.621 | S | S | * | * | trans | -74.5 | 104.4 | 177 | 0 | 0 | 0 | 0 | 0 | 107.3 | H4 | A2-H4 PolarHBondContact O-N 2.73Š| ||
| 3 | T | 36.1 | Very low | 42.2 | Very low | 121 Ų | 121 | 100.2 Ų | 100.2 | 74% | 0.742 | 60% | 0.601 | S | S | * | * | trans | -67.5 | 103.7 | 169.6 | 40.5 | 0 | 0 | 0 | 0 | 107.3 | M1 C5 | M1-T3 PolarHBondContact O-N 2.98Å; T3-C5 VanDerWaalsContact C-N 3.28Å; T3-C5 PolarHBondContact O-N 2.92Å | ||
| 4 | H | 37.9 | Very low | 42.9 | Very low | 186 Ų | 186 | 94.6 Ų | 94.6 | 86% | 0.861 | 57% | 0.566 | S | S | * | * | trans | -53.2 | 97.4 | 159.4 | -96.6 | -156.6 | 0 | 0 | 0 | 107.7 | A2 P6 | A2-H4 PolarHBondContact O-N 2.73Å; H4-P6 WeakPolarHBondContact O-CD 3.43Å | ||
| 5 | C | 35 | Very low | 43.9 | Very low | 84 Ų | 84 | 92.7 Ų | 92.7 | 57% | 0.568 | 55% | 0.55 | S | S | * | . | trans | -71.7 | 117.9 | 166.1 | -75.4 | 0 | 0 | 0 | 0 | 106.6 | T3 L7 | T3-C5 VanDerWaalsContact C-N 3.28Å; T3-C5 PolarHBondContact O-N 2.92Å; C5-L7 VanDerWaalsContact C-N 3.25Å; C5-L7 HydrophobicContact CB-CD1 4.3Å; C5-L7 PolarHBondContact O-N 3.25Å | ||
| 6 | P | 43.1 | Very low | 44.8 | Very low | 74 Ų | 74 | 87.9 Ų | 87.9 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | trans | -74.5 | 90.7 | 173.5 | 31.4 | -28.7 | 0 | 0 | 0 | 106.1 | H4 Y8 | H4-P6 WeakPolarHBondContact O-CD 3.43Å; P6-Y8 PolarHBondContact O-N 3.04Å | ||
| 7 | L | 44.9 | Very low | 45.4 | Very low | 90 Ų | 90 | 87.4 Ų | 87.4 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | trans | -63.4 | 120.1 | 159.7 | -93.4 | 86.2 | 0 | 0 | 0 | 106.6 | C5 M15 | C5-L7 VanDerWaalsContact C-N 3.25Å; C5-L7 HydrophobicContact CB-CD1 4.3Å; C5-L7 PolarHBondContact O-N 3.25Å; L7-M15 HydrophobicContact CD2-CB 3.65Å; L7-M15 HydrophobicContact CD2-CE 4.49Å; L7-M15 HydrophobicContact CD2-CG 3.6Å; L7-M15 HydrophobicContact CD2-SD 3.13Å; L7-M15 WeakPolarHBondContact CD2-SD 3.4Å | ||
| 8 | Y | 48 | Very low | 45.6 | Very low | 74 Ų | 74 | 93.5 Ų | 93.5 | 29% | 0.29 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 115.8 | 170 | 26.9 | -90.6 | 0 | 0 | 0 | 107.7 | P6 V10 M16 N17 R18 | P6-Y8 PolarHBondContact O-N 3.04Å; Y8-V10 HydrophobicContact CD2-CG2 4.16Å; Y8-V10 PolarHBondContact O-N 2.96Å; Y8-M16 HydrophobicContact CD2-CB 3.82Å; Y8-M16 HydrophobicContact CD2-CE 4.46Å; Y8-M16 HydrophobicContact CD2-CG 4.45Å; Y8-M16 WeakPolarHBondContact CD2-O 3.07Å; Y8-M16 HydrophobicContact CE2-CB 3.37Å; Y8-M16 HydrophobicContact CE2-CE 3.58Å; Y8-M16 HydrophobicContact CE2-CG 3.56Å; Y8-M16 WeakPolarHBondContact CE2-O 3.18Å; Y8-M16 HydrophobicContact CE2-SD 4.28Å; Y8-M16 VanDerWaalsContact CZ-O 3.28Å; Y8-N17 PolarHBondContact OH-O 2.92Å; Y8-R18 VanDerWaalsContact CE1-CA 3.48Å; Y8-R18 HydrophobicContact CE1-CB 4.12Å; Y8-R18 HydrophobicContact CE1-CG 4.26Å; Y8-R18 WeakPolarHBondContact OH-CA 3.46Å; Y8-R18 PolarHBondContact OH-N 3.35Å; Y8-R18 VanDerWaalsContact OH-N 3.13Å |
| 9 | C | 40.8 | Very low | 45.9 | Very low | 99 Ų | 99 | 91.8 Ų | 91.8 | 67% | 0.669 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 108.5 | 169.5 | -53.4 | 0 | 0 | 0 | 0 | 107.4 | ||
| 10 | V | 47.7 | Very low | 46.5 | Very low | 39 Ų | 39 | 87.9 Ų | 87.9 | 24% | 0.236 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 0.9 | 174.1 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | Y8 L14 L53 F57 | Y8-V10 HydrophobicContact CD2-CG2 4.16Å; Y8-V10 PolarHBondContact O-N 2.96Å; V10-L14 PolarHBondContact N-O 3.31Å; V10-L53 HydrophobicContact CG1-CB 4.06Å; V10-L53 HydrophobicContact CG1-CD1 4.36Å; V10-L53 HydrophobicContact CG2-CD1 4.45Å; V10-F57 HydrophobicContact CB-CE2 3.9Å; V10-F57 HydrophobicContact CB-CZ 4.43Å; V10-F57 HydrophobicContact CG1-CD2 3.85Å; V10-F57 HydrophobicContact CG1-CE2 3.53Å; V10-F57 HydrophobicContact CG1-CZ 4.47Å; V10-F57 WeakPolarHBondContact O-CE2 3.42Å |
| 11 | G | 48.3 | Very low | 47 | Very low | 26 Ų | 26 | 90.5 Ų | 90.5 | 27% | 0.268 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 171.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | D13 L14 | G11-D13 PolarHBondContact O-N 3.42Å; G11-L14 PolarHBondContact O-N 3.04Å |
| 12 | A | 47.4 | Very low | 48.2 | Very low | 102 Ų | 102 | 83.4 Ų | 83.4 | 84% | 0.843 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -19.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 13 | D | 49.3 | Very low | 49.6 | Very low | 66 Ų | 66 | 78.5 Ų | 78.5 | 35% | 0.353 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.5 | 1.6 | -173.1 | -71.2 | -93.6 | 0 | 0 | 0 | 115 | G11 S25 S27 | G11-D13 PolarHBondContact O-N 3.42Å; D13-S25 WeakPolarHBondContact O-CA 3.29Å; D13-S25 WeakPolarHBondContact O-CB 3.06Å; D13-S25 PolarHBondContact O-OG 3.2Å; D13-S27 VanDerWaalsContact CG-OG 3.3Å; D13-S27 PolarHBondContact OD1-OG 2.92Å |
| 14 | L | 52.3 | Low | 50.8 | Low | 22 Ų | 22 | 80.7 Ų | 80.7 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.8 | -174.9 | -154.4 | 82.7 | 0 | 0 | 0 | 111.8 | V10 G11 V23 L34 L53 F57 | V10-L14 PolarHBondContact N-O 3.31Å; G11-L14 PolarHBondContact O-N 3.04Å; L14-V23 HydrophobicContact CD1-CG1 3.74Å; L14-V23 HydrophobicContact CD2-CG1 3.84Å; L14-V23 HydrophobicContact CG-CG1 3.72Å; L14-L34 HydrophobicContact CD1-CD2 3.62Å; L14-L53 HydrophobicContact CD2-CD2 3.98Å; L14-F57 HydrophobicContact CB-CZ 3.71Å; L14-F57 HydrophobicContact CD2-CE2 3.77Å; L14-F57 HydrophobicContact CD2-CZ 3.52Å; L14-F57 HydrophobicContact CG-CZ 4.17Å |
| 15 | M | 57.1 | Low | 52.1 | Low | 65 Ų | 65 | 72.6 Ų | 72.6 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.3 | -179.9 | -68.8 | -168.6 | -168.1 | 0 | 0 | 110.4 | L7 V23 W24 E26 | L7-M15 HydrophobicContact CD2-CB 3.65Å; L7-M15 HydrophobicContact CD2-CE 4.49Å; L7-M15 HydrophobicContact CD2-CG 3.6Å; L7-M15 HydrophobicContact CD2-SD 3.13Å; L7-M15 WeakPolarHBondContact CD2-SD 3.4Å; M15-V23 WeakPolarHBondContact O-CA 3.38Å; M15-W24 PolarHBondContact N-O 3.44Å; M15-W24 PolarHBondContact O-N 3.36Å; M15-E26 HydrophobicContact CE-CG 4.41Å; M15-E26 WeakPolarHBondContact CE-OE2 3.41Å |
| 16 | M | 59.4 | Low | 53.1 | Low | 16 Ų | 16 | 75.7 Ų | 75.7 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141 | 177.1 | -174.7 | 174 | 102.3 | 0 | 0 | 111.3 | Y8 H22 V23 I41 L49 L53 | Y8-M16 HydrophobicContact CD2-CB 3.82Å; Y8-M16 HydrophobicContact CD2-CE 4.46Å; Y8-M16 HydrophobicContact CD2-CG 4.45Å; Y8-M16 WeakPolarHBondContact CD2-O 3.07Å; Y8-M16 HydrophobicContact CE2-CB 3.37Å; Y8-M16 HydrophobicContact CE2-CE 3.58Å; Y8-M16 HydrophobicContact CE2-CG 3.56Å; Y8-M16 WeakPolarHBondContact CE2-O 3.18Å; Y8-M16 HydrophobicContact CE2-SD 4.28Å; Y8-M16 VanDerWaalsContact CZ-O 3.28Å; M16-H22 WeakPolarHBondContact CA-O 3.11Å; M16-H22 WeakPolarHBondContact CG-O 3.24Å; M16-V23 HydrophobicContact CB-CG2 4.32Å; M16-V23 HydrophobicContact CG-CG2 3.84Å; M16-V23 HydrophobicContact SD-CG2 3.75Å; M16-I41 HydrophobicContact SD-CD1 4.17Å; M16-L49 HydrophobicContact CE-CD2 3.17Å; M16-L49 HydrophobicContact CE-CG 3.68Å; M16-L49 HydrophobicContact SD-CD2 3.41Å; M16-L49 WeakPolarHBondContact SD-CD2 3.38Å; M16-L49 HydrophobicContact SD-CG 3.98Å; M16-L53 HydrophobicContact CE-CD1 4.01Å; M16-L53 HydrophobicContact SD-CD1 3.69Å |
| 17 | N | 53.8 | Low | 53.7 | Low | 79 Ų | 79 | 73.8 Ų | 73.8 | 42% | 0.422 | 39% | 0.392 | S | S | . | . | trans | -85.7 | 142.1 | -176.2 | -175.9 | -68.3 | 0 | 0 | 0 | 111.7 | Y8 A19 G20 H22 | Y8-N17 PolarHBondContact OH-O 2.92Å; N17-A19 PolarHBondContact O-N 3.02Å; N17-A19 PolarHBondContact OD1-N 2.99Å; N17-G20 WeakPolarHBondContact O-CA 3.36Å; N17-G20 PolarHBondContact O-N 3.18Å; N17-H22 PolarHBondContact N-O 3Å; N17-H22 VanDerWaalsContact N-O 3.13Å | ||
| 18 | R | 49.9 | Very low | 54.5 | Low | 198 Ų | 198 | 77.3 Ų | 77.3 | 75% | 0.747 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | -20.6 | -178.3 | -148.4 | 179.9 | -169.6 | -170.8 | 3.6 | 117.5 | Y8 G20 | Y8-R18 VanDerWaalsContact CE1-CA 3.48Å; Y8-R18 HydrophobicContact CE1-CB 4.12Å; Y8-R18 HydrophobicContact CE1-CG 4.26Å; Y8-R18 WeakPolarHBondContact OH-CA 3.46Å; Y8-R18 PolarHBondContact OH-N 3.35Å; Y8-R18 VanDerWaalsContact OH-N 3.13Å; R18-G20 VanDerWaalsContact C-N 3.32Å |
| 19 | A | 51.1 | Low | 55.2 | Low | 61 Ų | 61 | 80.3 Ų | 80.3 | 50% | 0.504 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N17 E21 | N17-A19 PolarHBondContact O-N 3.02Å; N17-A19 PolarHBondContact OD1-N 2.99Å; A19-E21 HydrophobicContact CB-CB 4.34Å; A19-E21 VanDerWaalsContact CB-CD 3.49Å; A19-E21 HydrophobicContact CB-CG 3.56Å; A19-E21 WeakPolarHBondContact CB-OE2 3.43Å; A19-E21 PolarHBondContact O-N 3.2Å |
| 20 | G | 57.8 | Low | 56 | Low | 14 Ų | 14 | 77.5 Ų | 77.5 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | S | Bend | trans | 70.8 | 3.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | N17 R18 I41 | N17-G20 WeakPolarHBondContact O-CA 3.36Å; N17-G20 PolarHBondContact O-N 3.18Å; R18-G20 VanDerWaalsContact C-N 3.32Å; G20-I41 WeakPolarHBondContact O-CG2 3.47Å |
| 21 | E | 56.9 | Low | 56.7 | Low | 143 Ų | 143 | 80.1 Ų | 80.1 | 67% | 0.668 | 42% | 0.42 | S | S | * | . | trans | -84.8 | -12.9 | -164.6 | -60.8 | 176 | 121.6 | 0 | 0 | 114.4 | A19 | A19-E21 HydrophobicContact CB-CB 4.34Å; A19-E21 VanDerWaalsContact CB-CD 3.49Å; A19-E21 HydrophobicContact CB-CG 3.56Å; A19-E21 WeakPolarHBondContact CB-OE2 3.43Å; A19-E21 PolarHBondContact O-N 3.2Å | ||
| 22 | H | 60.4 | Low | 57.5 | Low | 90 Ų | 90 | 83.2 Ų | 83.2 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | trans | -151.1 | 130.8 | -170 | -109.3 | 81.9 | 0 | 0 | 0 | 111.4 | M16 N17 W24 | M16-H22 WeakPolarHBondContact CA-O 3.11Å; M16-H22 WeakPolarHBondContact CG-O 3.24Å; N17-H22 PolarHBondContact N-O 3Å; N17-H22 VanDerWaalsContact N-O 3.13Å; H22-W24 AromaticContact CD2-CE2 3.42Å; H22-W24 VanDerWaalsContact CD2-CE2 3.42Å; H22-W24 AromaticContact CD2-CZ2 3.46Å; H22-W24 VanDerWaalsContact CD2-CZ2 3.46Å; H22-W24 WeakPolarHBondContact CD2-CZ2 3.38Å; H22-W24 AromaticContact CD2-NE1 3.21Å; H22-W24 PolarHBondContact CD2-NE1 2.88Å; H22-W24 AromaticContact NE2-CZ2 3.9Å; H22-W24 AromaticContact NE2-NE1 3.8Å | ||
| 23 | V | 63.8 | Low | 58.3 | Low | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.9 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | L14 M15 M16 L34 Q38 I41 | L14-V23 HydrophobicContact CD1-CG1 3.74Å; L14-V23 HydrophobicContact CD2-CG1 3.84Å; L14-V23 HydrophobicContact CG-CG1 3.72Å; M15-V23 WeakPolarHBondContact O-CA 3.38Å; M16-V23 HydrophobicContact CB-CG2 4.32Å; M16-V23 HydrophobicContact CG-CG2 3.84Å; M16-V23 HydrophobicContact SD-CG2 3.75Å; V23-L34 HydrophobicContact CG1-CD2 3.8Å; V23-Q38 HydrophobicContact CB-CG 4.46Å; V23-Q38 PolarHBondContact O-NE2 3.3Å; V23-I41 HydrophobicContact CG2-CD1 3.17Å |
| 24 | W | 62.3 | Low | 59.2 | Low | 166 Ų | 166 | 81.4 Ų | 81.4 | 63% | 0.629 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155.4 | 176.7 | -65 | -26.6 | 0 | 0 | 0 | 111.2 | M15 H22 | M15-W24 PolarHBondContact N-O 3.44Å; M15-W24 PolarHBondContact O-N 3.36Å; H22-W24 AromaticContact CD2-CE2 3.42Å; H22-W24 VanDerWaalsContact CD2-CE2 3.42Å; H22-W24 AromaticContact CD2-CZ2 3.46Å; H22-W24 VanDerWaalsContact CD2-CZ2 3.46Å; H22-W24 WeakPolarHBondContact CD2-CZ2 3.38Å; H22-W24 AromaticContact CD2-NE1 3.21Å; H22-W24 PolarHBondContact CD2-NE1 2.88Å; H22-W24 AromaticContact NE2-CZ2 3.9Å; H22-W24 AromaticContact NE2-NE1 3.8Å |
| 25 | S | 63.9 | Low | 59.9 | Low | 17 Ų | 17 | 85.5 Ų | 85.5 | 12% | 0.119 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 144.8 | 173.5 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | D13 S27 C30 | D13-S25 WeakPolarHBondContact O-CA 3.29Å; D13-S25 WeakPolarHBondContact O-CB 3.06Å; D13-S25 PolarHBondContact O-OG 3.2Å; S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact OG-N 2.65Å; S25-C30 WeakPolarHBondContact OG-CB 3.41Å |
| 26 | E | 56 | Low | 60.4 | Low | 149 Ų | 149 | 88.1 Ų | 88.1 | 70% | 0.696 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -80.5 | -17.7 | 173.9 | -63.7 | -175.5 | 90.6 | 0 | 0 | 111.9 | M15 | M15-E26 HydrophobicContact CE-CG 4.41Å; M15-E26 WeakPolarHBondContact CE-OE2 3.41Å |
| 27 | S | 56.3 | Low | 60.9 | Low | 34 Ų | 34 | 88.5 Ų | 88.5 | 24% | 0.238 | 45% | 0.445 | C | S | . | . | trans | -81.1 | 123.7 | 177 | -79 | 0 | 0 | 0 | 0 | 111.7 | D13 S25 D29 C30 | D13-S27 VanDerWaalsContact CG-OG 3.3Å; D13-S27 PolarHBondContact OD1-OG 2.92Å; S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact OG-N 2.65Å; S27-D29 PolarHBondContact O-N 3.23Å; S27-C30 WeakPolarHBondContact O-CB 3.41Å; S27-C30 PolarHBondContact O-N 3.21Å; S27-C30 VanDerWaalsContact O-N 3.07Å | ||
| 28 | E | 62.4 | Low | 61.7 | Low | 163 Ų | 163 | 86.6 Ų | 86.6 | 76% | 0.762 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -62.2 | -31.6 | 177.4 | -70.1 | 179.8 | 84 | 0 | 0 | 112.3 | C30 L31 | E28-C30 PolarHBondContact O-N 3.23Å; E28-L31 HydrophobicContact CB-CD1 4.28Å; E28-L31 HydrophobicContact CG-CD1 4.37Å; E28-L31 WeakPolarHBondContact O-CB 2.94Å; E28-L31 WeakPolarHBondContact O-CG 3.4Å; E28-L31 PolarHBondContact O-N 3.21Å |
| 29 | D | 61.6 | Low | 62.6 | Low | 137 Ų | 137 | 81.5 Ų | 81.5 | 73% | 0.733 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -63.7 | -24.4 | 175.6 | -64.3 | -68.9 | 0 | 0 | 0 | 113.2 | S27 P32 F33 | S27-D29 PolarHBondContact O-N 3.23Å; D29-P32 WeakPolarHBondContact O-CD 3.4Å; D29-F33 WeakPolarHBondContact O-CD2 3.43Å; D29-F33 WeakPolarHBondContact O-CE2 3.28Å |
| 30 | C | 58.3 | Low | 63.4 | Low | 41 Ų | 41 | 82.6 Ų | 82.6 | 28% | 0.277 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -85.6 | -21.5 | -178.4 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | S25 S27 E28 P32 F33 L34 | S25-C30 WeakPolarHBondContact OG-CB 3.41Å; S27-C30 WeakPolarHBondContact O-CB 3.41Å; S27-C30 PolarHBondContact O-N 3.21Å; S27-C30 VanDerWaalsContact O-N 3.07Å; E28-C30 PolarHBondContact O-N 3.23Å; C30-P32 VanDerWaalsContact C-CD 3.48Å; C30-F33 PolarHBondContact O-N 2.84Å; C30-L34 WeakPolarHBondContact O-CG 3.42Å; C30-L34 PolarHBondContact O-N 2.91Å; C30-L34 VanDerWaalsContact O-N 3.12Å |
| 31 | L | 62.5 | Low | 63.9 | Low | 93 Ų | 93 | 83 Ų | 83 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -48.8 | -46.2 | -177.6 | -62 | 176.9 | 0 | 0 | 0 | 114.9 | E28 F33 L34 | E28-L31 HydrophobicContact CB-CD1 4.28Å; E28-L31 HydrophobicContact CG-CD1 4.37Å; E28-L31 WeakPolarHBondContact O-CB 2.94Å; E28-L31 WeakPolarHBondContact O-CG 3.4Å; E28-L31 PolarHBondContact O-N 3.21Å; L31-F33 PolarHBondContact O-N 2.84Å; L31-L34 HydrophobicContact CD2-CD1 3.86Å; L31-L34 PolarHBondContact O-N 2.99Å |
| 32 | P | 65.3 | Low | 64.5 | Low | 92 Ų | 92 | 81.3 Ų | 81.3 | 60% | 0.597 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.2 | -20.8 | 178.9 | 24 | -33.4 | 0 | 0 | 0 | 114 | D29 C30 | D29-P32 WeakPolarHBondContact O-CD 3.4Å; C30-P32 VanDerWaalsContact C-CD 3.48Å |
| 33 | F | 64.6 | Low | 64.9 | Low | 114 Ų | 114 | 81 Ų | 81 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -94.3 | -20.6 | -179.3 | -53.9 | -79.7 | 0 | 0 | 0 | 112.9 | D29 C30 L31 Q35 L36 A37 | D29-F33 WeakPolarHBondContact O-CD2 3.43Å; D29-F33 WeakPolarHBondContact O-CE2 3.28Å; C30-F33 PolarHBondContact O-N 2.84Å; L31-F33 PolarHBondContact O-N 2.84Å; F33-Q35 VanDerWaalsContact C-N 3.33Å; F33-Q35 PolarHBondContact O-N 3.44Å; F33-L36 PolarHBondContact O-N 3.03Å; F33-A37 PolarHBondContact O-N 3.49Å |
| 34 | L | 67.8 | Low | 64.6 | Low | 16 Ų | 16 | 82.4 Ų | 82.4 | 8% | 0.084 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 179 | -69.7 | 179.6 | 0 | 0 | 0 | 112.5 | L14 V23 C30 L31 L36 A37 Q38 | L14-L34 HydrophobicContact CD1-CD2 3.62Å; V23-L34 HydrophobicContact CG1-CD2 3.8Å; C30-L34 WeakPolarHBondContact O-CG 3.42Å; C30-L34 PolarHBondContact O-N 2.91Å; C30-L34 VanDerWaalsContact O-N 3.12Å; L31-L34 HydrophobicContact CD2-CD1 3.86Å; L31-L34 PolarHBondContact O-N 2.99Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.45Å; L34-A37 PolarHBondContact O-N 3.25Å; L34-Q38 WeakPolarHBondContact O-CG 3.3Å; L34-Q38 PolarHBondContact O-N 3.27Å |
| 35 | Q | 67.2 | Low | 64.4 | Low | 108 Ų | 108 | 77.6 Ų | 77.6 | 51% | 0.505 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 178.2 | -171 | 61 | 61.8 | 0 | 0 | 111.3 | F33 A37 Q38 D39 | F33-Q35 VanDerWaalsContact C-N 3.33Å; F33-Q35 PolarHBondContact O-N 3.44Å; Q35-A37 VanDerWaalsContact C-N 3.32Å; Q35-A37 PolarHBondContact O-N 2.92Å; Q35-Q38 PolarHBondContact O-N 3.42Å; Q35-D39 PolarHBondContact NE2-OD1 2.95Å; Q35-D39 VanDerWaalsContact O-CG 3.3Å; Q35-D39 PolarHBondContact O-N 2.91Å |
| 36 | L | 66.6 | Low | 63.8 | Low | 120 Ų | 120 | 86.7 Ų | 86.7 | 63% | 0.628 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64 | -39.1 | 176.1 | -177 | 63.5 | 0 | 0 | 0 | 111.5 | F33 L34 Y40 | F33-L36 PolarHBondContact O-N 3.03Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.45Å; L36-Y40 WeakPolarHBondContact O-CB 3.47Å; L36-Y40 PolarHBondContact O-N 3.28Å |
| 37 | A | 70.8 | Confident | 63.8 | Low | 24 Ų | 24 | 86.4 Ų | 86.4 | 20% | 0.198 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F33 L34 Q35 Y40 I41 | F33-A37 PolarHBondContact O-N 3.49Å; L34-A37 PolarHBondContact O-N 3.25Å; Q35-A37 VanDerWaalsContact C-N 3.32Å; Q35-A37 PolarHBondContact O-N 2.92Å; A37-Y40 PolarHBondContact O-N 3.25Å; A37-I41 WeakPolarHBondContact O-CB 3.49Å; A37-I41 WeakPolarHBondContact O-CD1 3.39Å; A37-I41 WeakPolarHBondContact O-CG1 3.09Å; A37-I41 PolarHBondContact O-N 3.47Å |
| 38 | Q | 69.4 | Low | 64.2 | Low | 39 Ų | 39 | 88.5 Ų | 88.5 | 18% | 0.182 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.1 | -73 | 172 | 17.3 | 0 | 0 | 112.3 | V23 L34 Q35 Y40 I41 S42 | V23-Q38 HydrophobicContact CB-CG 4.46Å; V23-Q38 PolarHBondContact O-NE2 3.3Å; L34-Q38 WeakPolarHBondContact O-CG 3.3Å; L34-Q38 PolarHBondContact O-N 3.27Å; Q35-Q38 PolarHBondContact O-N 3.42Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 2.89Å; Q38-I41 WeakPolarHBondContact O-CB 3.43Å; Q38-I41 PolarHBondContact O-N 2.81Å; Q38-S42 PolarHBondContact O-N 3.15Å; Q38-S42 PolarHBondContact O-OG 3.23Å |
| 39 | D | 69.1 | Low | 64.2 | Low | 91 Ų | 91 | 81.9 Ų | 81.9 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.7 | -69 | -28.8 | 0 | 0 | 0 | 111.5 | Q35 S42 S43 | Q35-D39 PolarHBondContact NE2-OD1 2.95Å; Q35-D39 VanDerWaalsContact O-CG 3.3Å; Q35-D39 PolarHBondContact O-N 2.91Å; D39-S42 PolarHBondContact O-N 3.39Å; D39-S43 WeakPolarHBondContact O-CB 3.44Å; D39-S43 PolarHBondContact O-N 3.14Å |
| 40 | Y | 68.3 | Low | 64.2 | Low | 83 Ų | 83 | 80.9 Ų | 80.9 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 178.3 | -171.9 | -92.2 | 0 | 0 | 0 | 112.2 | L36 A37 Q38 S43 C44 V52 | L36-Y40 WeakPolarHBondContact O-CB 3.47Å; L36-Y40 PolarHBondContact O-N 3.28Å; A37-Y40 PolarHBondContact O-N 3.25Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 2.89Å; Y40-S43 PolarHBondContact O-N 3.27Å; Y40-S43 PolarHBondContact O-OG 3.24Å; Y40-C44 VanDerWaalsContact CD1-SG 3.6Å; Y40-C44 WeakPolarHBondContact CE1-SG 3.07Å; Y40-C44 VanDerWaalsContact CZ-SG 3.51Å; Y40-C44 WeakPolarHBondContact O-CB 3.41Å; Y40-C44 PolarHBondContact O-N 2.94Å; Y40-C44 PolarHBondContact O-SG 3.12Å; Y40-V52 HydrophobicContact CD1-CB 4.33Å; Y40-V52 HydrophobicContact CD1-CG1 3.85Å; Y40-V52 HydrophobicContact CE1-CB 3.5Å; Y40-V52 VanDerWaalsContact CE1-CB 3.5Å; Y40-V52 HydrophobicContact CE1-CG1 3.25Å; Y40-V52 HydrophobicContact CE1-CG2 3.48Å; Y40-V52 VanDerWaalsContact CE1-CG2 3.48Å; Y40-V52 HydrophobicContact CE2-CG1 4.48Å; Y40-V52 WeakPolarHBondContact OH-CG2 3.47Å |
| 41 | I | 69.1 | Low | 64.6 | Low | 23 Ų | 23 | 84.4 Ų | 84.4 | 12% | 0.118 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.4 | -52.9 | 172.8 | -73.6 | 170.6 | 0 | 0 | 0 | 111.1 | M16 G20 V23 A37 Q38 S43 C44 L49 | M16-I41 HydrophobicContact SD-CD1 4.17Å; G20-I41 WeakPolarHBondContact O-CG2 3.47Å; V23-I41 HydrophobicContact CG2-CD1 3.17Å; A37-I41 WeakPolarHBondContact O-CB 3.49Å; A37-I41 WeakPolarHBondContact O-CD1 3.39Å; A37-I41 WeakPolarHBondContact O-CG1 3.09Å; A37-I41 PolarHBondContact O-N 3.47Å; Q38-I41 WeakPolarHBondContact O-CB 3.43Å; Q38-I41 PolarHBondContact O-N 2.81Å; I41-S43 PolarHBondContact O-N 2.89Å; I41-C44 PolarHBondContact O-N 3.28Å; I41-L49 HydrophobicContact CB-CD1 4.41Å; I41-L49 HydrophobicContact CB-CD2 4.29Å; I41-L49 HydrophobicContact CD1-CD1 3.78Å; I41-L49 HydrophobicContact CD1-CD2 3.55Å; I41-L49 HydrophobicContact CD1-CG 4.19Å; I41-L49 HydrophobicContact CG1-CD1 3.16Å; I41-L49 HydrophobicContact CG1-CD2 3.38Å; I41-L49 HydrophobicContact CG1-CG 3.8Å; I41-L49 HydrophobicContact CG2-CD2 4.09Å |
| 42 | S | 69.6 | Low | 64.8 | Low | 107 Ų | 107 | 81.3 Ų | 81.3 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.9 | -26.7 | 179.6 | -65 | 0 | 0 | 0 | 0 | 112 | Q38 D39 | Q38-S42 PolarHBondContact O-N 3.15Å; Q38-S42 PolarHBondContact O-OG 3.23Å; D39-S42 PolarHBondContact O-N 3.39Å |
| 43 | S | 67 | Low | 64.9 | Low | 84 Ų | 84 | 77.5 Ų | 77.5 | 59% | 0.587 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -84.8 | -19.4 | 175.7 | 82.6 | 0 | 0 | 0 | 0 | 114.7 | D39 Y40 I41 G45 | D39-S43 WeakPolarHBondContact O-CB 3.44Å; D39-S43 PolarHBondContact O-N 3.14Å; Y40-S43 PolarHBondContact O-N 3.27Å; Y40-S43 PolarHBondContact O-OG 3.24Å; I41-S43 PolarHBondContact O-N 2.89Å; S43-G45 VanDerWaalsContact C-N 3.32Å; S43-G45 PolarHBondContact O-N 3.25Å |
| 44 | C | 59.4 | Low | 65 | Low | 30 Ų | 30 | 77.7 Ų | 77.7 | 20% | 0.203 | 42% | 0.415 | C | S | . | . | trans | -81.1 | 73.6 | -173.5 | -85.2 | 0 | 0 | 0 | 0 | 112.2 | Y40 I41 K46 | Y40-C44 VanDerWaalsContact CD1-SG 3.6Å; Y40-C44 WeakPolarHBondContact CE1-SG 3.07Å; Y40-C44 VanDerWaalsContact CZ-SG 3.51Å; Y40-C44 WeakPolarHBondContact O-CB 3.41Å; Y40-C44 PolarHBondContact O-N 2.94Å; Y40-C44 PolarHBondContact O-SG 3.12Å; I41-C44 PolarHBondContact O-N 3.28Å; C44-K46 PolarHBondContact O-N 3.34Å | ||
| 45 | G | 56.9 | Low | 64.7 | Low | 65 Ų | 65 | 84.4 Ų | 84.4 | 67% | 0.67 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -70.8 | 14.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S43 | S43-G45 VanDerWaalsContact C-N 3.32Å; S43-G45 PolarHBondContact O-N 3.25Å |
| 46 | K | 52.3 | Low | 64.8 | Low | 208 Ų | 208 | 82.4 Ų | 82.4 | 90% | 0.904 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 177.6 | -16.9 | 180 | -101.7 | 149.2 | -124.1 | -177.6 | 0 | 118 | C44 | C44-K46 PolarHBondContact O-N 3.34Š|
| 47 | K | 55.4 | Low | 64.6 | Low | 142 Ų | 142 | 79.5 Ų | 79.5 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -81.3 | 132.3 | 170.6 | -78.8 | 175 | 173.3 | 169.8 | 0 | 107.5 | L49 | K47-L49 PolarHBondContact O-N 3.13Š|
| 48 | T | 64.6 | Low | 64.2 | Low | 79 Ų | 79 | 84.4 Ų | 84.4 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | trans | -66.2 | 119.4 | -179.3 | 65.2 | 0 | 0 | 0 | 0 | 106.9 | H50 E51 | T48-H50 PolarHBondContact O-N 2.57Å; T48-E51 PolarHBondContact N-OE2 2.7Å; T48-E51 WeakPolarHBondContact O-CB 3.03Å; T48-E51 PolarHBondContact O-N 2.89Å; T48-E51 VanDerWaalsContact OG1-CG 3.24Å; T48-E51 WeakPolarHBondContact OG1-CG 3.46Å; T48-E51 PolarHBondContact OG1-OE2 3.18Å | ||
| 49 | L | 62.6 | Low | 63.7 | Low | 24 Ų | 24 | 86.1 Ų | 86.1 | 13% | 0.126 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -46.8 | -32.6 | 176.1 | 170.3 | 53.6 | 0 | 0 | 0 | 112.2 | M16 I41 K47 V52 L53 | M16-L49 HydrophobicContact CE-CD2 3.17Å; M16-L49 HydrophobicContact CE-CG 3.68Å; M16-L49 HydrophobicContact SD-CD2 3.41Å; M16-L49 WeakPolarHBondContact SD-CD2 3.38Å; M16-L49 HydrophobicContact SD-CG 3.98Å; I41-L49 HydrophobicContact CB-CD1 4.41Å; I41-L49 HydrophobicContact CB-CD2 4.29Å; I41-L49 HydrophobicContact CD1-CD1 3.78Å; I41-L49 HydrophobicContact CD1-CD2 3.55Å; I41-L49 HydrophobicContact CD1-CG 4.19Å; I41-L49 HydrophobicContact CG1-CD1 3.16Å; I41-L49 HydrophobicContact CG1-CD2 3.38Å; I41-L49 HydrophobicContact CG1-CG 3.8Å; I41-L49 HydrophobicContact CG2-CD2 4.09Å; K47-L49 PolarHBondContact O-N 3.13Å; L49-V52 PolarHBondContact O-N 2.88Å; L49-L53 HydrophobicContact CD1-CD1 4.01Å; L49-L53 HydrophobicContact CD1-CG 4Å; L49-L53 HydrophobicContact CG-CD1 3.94Å; L49-L53 HydrophobicContact CG-CG 4.41Å; L49-L53 WeakPolarHBondContact O-CG 3.03Å; L49-L53 PolarHBondContact O-N 3.33Å |
| 50 | H | 62.3 | Low | 63.1 | Low | 115 Ų | 115 | 85.5 Ų | 85.5 | 53% | 0.532 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -50 | -53.7 | 169.3 | -161.1 | 113.1 | 0 | 0 | 0 | 113.4 | T48 V52 L53 E54 | T48-H50 PolarHBondContact O-N 2.57Å; H50-V52 PolarHBondContact O-N 3.21Å; H50-L53 PolarHBondContact O-N 2.94Å; H50-E54 IonicContact CD2-OE2 3.78Å; H50-E54 PolarHBondContact O-N 3.15Å |
| 51 | E | 65.1 | Low | 62.7 | Low | 115 Ų | 115 | 85.3 Ų | 85.3 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60 | -33.4 | -179.5 | -77.1 | 172.1 | 100.6 | 0 | 0 | 112.6 | T48 K55 | T48-E51 PolarHBondContact N-OE2 2.7Å; T48-E51 WeakPolarHBondContact O-CB 3.03Å; T48-E51 PolarHBondContact O-N 2.89Å; T48-E51 VanDerWaalsContact OG1-CG 3.24Å; T48-E51 WeakPolarHBondContact OG1-CG 3.46Å; T48-E51 PolarHBondContact OG1-OE2 3.18Å; E51-K55 WeakPolarHBondContact O-CB 3.42Å; E51-K55 PolarHBondContact O-N 3.13Å |
| 52 | V | 67.4 | Low | 62 | Low | 29 Ų | 29 | 88.9 Ų | 88.9 | 18% | 0.176 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -80.3 | -40.3 | -178.6 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | Y40 L49 H50 K55 V56 | Y40-V52 HydrophobicContact CD1-CB 4.33Å; Y40-V52 HydrophobicContact CD1-CG1 3.85Å; Y40-V52 HydrophobicContact CE1-CB 3.5Å; Y40-V52 VanDerWaalsContact CE1-CB 3.5Å; Y40-V52 HydrophobicContact CE1-CG1 3.25Å; Y40-V52 HydrophobicContact CE1-CG2 3.48Å; Y40-V52 VanDerWaalsContact CE1-CG2 3.48Å; Y40-V52 HydrophobicContact CE2-CG1 4.48Å; Y40-V52 WeakPolarHBondContact OH-CG2 3.47Å; L49-V52 PolarHBondContact O-N 2.88Å; H50-V52 PolarHBondContact O-N 3.21Å; V52-K55 PolarHBondContact O-N 2.96Å; V52-V56 HydrophobicContact CG1-CG2 4.32Å; V52-V56 VanDerWaalsContact O-CG2 3.29Å; V52-V56 WeakPolarHBondContact O-CG2 3.33Å; V52-V56 PolarHBondContact O-N 3.31Å |
| 53 | L | 67.3 | Low | 61.4 | Low | 12 Ų | 12 | 90.3 Ų | 90.3 | 6% | 0.063 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 172.4 | -71.9 | 171.6 | 0 | 0 | 0 | 110.7 | V10 L14 M16 L49 H50 K55 V56 F57 | V10-L53 HydrophobicContact CG1-CB 4.06Å; V10-L53 HydrophobicContact CG1-CD1 4.36Å; V10-L53 HydrophobicContact CG2-CD1 4.45Å; L14-L53 HydrophobicContact CD2-CD2 3.98Å; M16-L53 HydrophobicContact CE-CD1 4.01Å; M16-L53 HydrophobicContact SD-CD1 3.69Å; L49-L53 HydrophobicContact CD1-CD1 4.01Å; L49-L53 HydrophobicContact CD1-CG 4Å; L49-L53 HydrophobicContact CG-CD1 3.94Å; L49-L53 HydrophobicContact CG-CG 4.41Å; L49-L53 WeakPolarHBondContact O-CG 3.03Å; L49-L53 PolarHBondContact O-N 3.33Å; H50-L53 PolarHBondContact O-N 2.94Å; L53-K55 VanDerWaalsContact C-N 3.26Å; L53-K55 PolarHBondContact O-N 3.23Å; L53-V56 PolarHBondContact O-N 3.05Å; L53-V56 VanDerWaalsContact O-N 3.15Å; L53-F57 HydrophobicContact CB-CD2 4.24Å; L53-F57 HydrophobicContact CB-CE2 4.26Å; L53-F57 HydrophobicContact CD2-CE2 4.32Å; L53-F57 WeakPolarHBondContact O-CB 3.38Å; L53-F57 WeakPolarHBondContact O-CD2 3.44Å; L53-F57 PolarHBondContact O-N 3.31Å |
| 54 | E | 66.6 | Low | 61.1 | Low | 117 Ų | 117 | 91.8 Ų | 91.8 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -55.8 | -42.7 | 176 | -77.4 | -156.1 | 104.5 | 0 | 0 | 112.3 | H50 F57 K58 | H50-E54 IonicContact CD2-OE2 3.78Å; H50-E54 PolarHBondContact O-N 3.15Å; E54-F57 PolarHBondContact O-N 3.21Å; E54-K58 VanDerWaalsContact O-CB 3.28Å; E54-K58 WeakPolarHBondContact O-CB 3.36Å; E54-K58 PolarHBondContact O-N 3.27Å |
| 55 | K | 61.2 | Low | 60.8 | Low | 158 Ų | 158 | 93.6 Ų | 93.6 | 69% | 0.687 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.3 | -37.3 | -179.6 | -155.3 | 166.4 | -170.5 | 169.7 | 0 | 112.4 | E51 V52 L53 S59 | E51-K55 WeakPolarHBondContact O-CB 3.42Å; E51-K55 PolarHBondContact O-N 3.13Å; V52-K55 PolarHBondContact O-N 2.96Å; L53-K55 VanDerWaalsContact C-N 3.26Å; L53-K55 PolarHBondContact O-N 3.23Å; K55-S59 WeakPolarHBondContact O-CB 3.11Å; K55-S59 PolarHBondContact O-N 3.07Å; K55-S59 VanDerWaalsContact O-N 3.14Å; K55-S59 PolarHBondContact O-OG 2.67Å |
| 56 | V | 69.7 | Low | 60.6 | Low | 65 Ų | 65 | 95.3 Ų | 95.3 | 39% | 0.394 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -54.3 | 173.3 | 171 | 0 | 0 | 0 | 0 | 109.5 | V52 L53 K58 S59 F60 | V52-V56 HydrophobicContact CG1-CG2 4.32Å; V52-V56 VanDerWaalsContact O-CG2 3.29Å; V52-V56 WeakPolarHBondContact O-CG2 3.33Å; V52-V56 PolarHBondContact O-N 3.31Å; L53-V56 PolarHBondContact O-N 3.05Å; L53-V56 VanDerWaalsContact O-N 3.15Å; V56-K58 VanDerWaalsContact C-N 3.29Å; V56-K58 PolarHBondContact O-N 2.96Å; V56-S59 CarbonylContact O-C 3.59Å; V56-S59 WeakPolarHBondContact O-CA 3.17Å; V56-S59 WeakPolarHBondContact O-CB 3.33Å; V56-S59 PolarHBondContact O-N 3.32Å; V56-F60 HydrophobicContact CG1-CD2 3.61Å; V56-F60 HydrophobicContact CG1-CE2 3.67Å; V56-F60 VanDerWaalsContact O-CD2 3.3Å; V56-F60 WeakPolarHBondContact O-CD2 3.32Å; V56-F60 PolarHBondContact O-N 2.85Å |
| 57 | F | 63.4 | Low | 60.7 | Low | 59 Ų | 59 | 90 Ų | 90 | 26% | 0.259 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.5 | -42.8 | 178.8 | -80.7 | -68.3 | 0 | 0 | 0 | 112.9 | V10 L14 L53 E54 S59 F60 R61 | V10-F57 HydrophobicContact CB-CE2 3.9Å; V10-F57 HydrophobicContact CB-CZ 4.43Å; V10-F57 HydrophobicContact CG1-CD2 3.85Å; V10-F57 HydrophobicContact CG1-CE2 3.53Å; V10-F57 HydrophobicContact CG1-CZ 4.47Å; V10-F57 WeakPolarHBondContact O-CE2 3.42Å; L14-F57 HydrophobicContact CB-CZ 3.71Å; L14-F57 HydrophobicContact CD2-CE2 3.77Å; L14-F57 HydrophobicContact CD2-CZ 3.52Å; L14-F57 HydrophobicContact CG-CZ 4.17Å; L53-F57 HydrophobicContact CB-CD2 4.24Å; L53-F57 HydrophobicContact CB-CE2 4.26Å; L53-F57 HydrophobicContact CD2-CE2 4.32Å; L53-F57 WeakPolarHBondContact O-CB 3.38Å; L53-F57 WeakPolarHBondContact O-CD2 3.44Å; L53-F57 PolarHBondContact O-N 3.31Å; E54-F57 PolarHBondContact O-N 3.21Å; F57-S59 VanDerWaalsContact C-N 3.29Å; F57-S59 PolarHBondContact O-N 3.32Å; F57-F60 PolarHBondContact O-N 3.32Å; F57-R61 PolarHBondContact O-N 2.88Å |
| 58 | K | 61.3 | Low | 60.8 | Low | 127 Ų | 127 | 87.1 Ų | 87.1 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.1 | -33 | 175.1 | -163.8 | 168.1 | -172 | 161.9 | 0 | 113 | E54 V56 | E54-K58 VanDerWaalsContact O-CB 3.28Å; E54-K58 WeakPolarHBondContact O-CB 3.36Å; E54-K58 PolarHBondContact O-N 3.27Å; V56-K58 VanDerWaalsContact C-N 3.29Å; V56-K58 PolarHBondContact O-N 2.96Å |
| 59 | S | 58.5 | Low | 60.5 | Low | 75 Ų | 75 | 86.2 Ų | 86.2 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -77.4 | -26.8 | 177.7 | -54.5 | 0 | 0 | 0 | 0 | 113 | K55 V56 F57 | K55-S59 WeakPolarHBondContact O-CB 3.11Å; K55-S59 PolarHBondContact O-N 3.07Å; K55-S59 VanDerWaalsContact O-N 3.14Å; K55-S59 PolarHBondContact O-OG 2.67Å; V56-S59 CarbonylContact O-C 3.59Å; V56-S59 WeakPolarHBondContact O-CA 3.17Å; V56-S59 WeakPolarHBondContact O-CB 3.33Å; V56-S59 PolarHBondContact O-N 3.32Å; F57-S59 VanDerWaalsContact C-N 3.29Å; F57-S59 PolarHBondContact O-N 3.32Å |
| 60 | F | 58 | Low | 60.1 | Low | 78 Ų | 78 | 91.3 Ų | 91.3 | 34% | 0.342 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -88.2 | -21.6 | 178.8 | -84.1 | -90.1 | 0 | 0 | 0 | 113.5 | V56 F57 L63 L64 | V56-F60 HydrophobicContact CG1-CD2 3.61Å; V56-F60 HydrophobicContact CG1-CE2 3.67Å; V56-F60 VanDerWaalsContact O-CD2 3.3Å; V56-F60 WeakPolarHBondContact O-CD2 3.32Å; V56-F60 PolarHBondContact O-N 2.85Å; F57-F60 PolarHBondContact O-N 3.32Å; F60-L63 HydrophobicContact CD1-CD1 4.17Å; F60-L63 HydrophobicContact CE1-CD1 4.46Å; F60-L63 WeakPolarHBondContact O-CA 3.41Å; F60-L63 WeakPolarHBondContact O-CB 3.33Å; F60-L63 PolarHBondContact O-N 2.89Å; F60-L64 HydrophobicContact CB-CD1 4.41Å; F60-L64 WeakPolarHBondContact O-CG 3.17Å; F60-L64 PolarHBondContact O-N 2.78Å |
| 61 | R | 58.9 | Low | 59.6 | Low | 79 Ų | 79 | 92.3 Ų | 92.3 | 30% | 0.298 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -48.9 | -47.7 | 176.4 | -90.5 | -170.6 | 174.1 | 127.6 | 9.7 | 114.7 | F57 L63 L64 G65 L66 A69 | F57-R61 PolarHBondContact O-N 2.88Å; R61-L63 PolarHBondContact O-N 3.37Å; R61-L64 PolarHBondContact O-N 2.94Å; R61-G65 PolarHBondContact O-N 3.27Å; R61-G65 VanDerWaalsContact O-N 3.15Å; R61-L66 PolarHBondContact O-N 3.34Å; R61-A69 VanDerWaalsContact CZ-CB 3.45Å |
| 62 | P | 55.2 | Low | 59.1 | Low | 98 Ų | 98 | 94 Ų | 94 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -29.8 | 177.3 | -21.2 | 32.7 | 0 | 0 | 0 | 113.4 | ||
| 63 | L | 56.3 | Low | 58.9 | Low | 138 Ų | 138 | 96.9 Ų | 96.9 | 72% | 0.723 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.5 | -29 | 179.1 | -63.2 | 173.3 | 0 | 0 | 0 | 112.1 | F60 R61 G65 | F60-L63 HydrophobicContact CD1-CD1 4.17Å; F60-L63 HydrophobicContact CE1-CD1 4.46Å; F60-L63 WeakPolarHBondContact O-CA 3.41Å; F60-L63 WeakPolarHBondContact O-CB 3.33Å; F60-L63 PolarHBondContact O-N 2.89Å; R61-L63 PolarHBondContact O-N 3.37Å; L63-G65 VanDerWaalsContact C-N 3.32Å |
| 64 | L | 60 | Low | 57.8 | Low | 115 Ų | 115 | 103.9 Ų | 103.9 | 60% | 0.602 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -85.4 | -4.5 | 176.2 | -64.1 | 174.2 | 0 | 0 | 0 | 113 | F60 R61 L66 | F60-L64 HydrophobicContact CB-CD1 4.41Å; F60-L64 WeakPolarHBondContact O-CG 3.17Å; F60-L64 PolarHBondContact O-N 2.78Å; R61-L64 PolarHBondContact O-N 2.94Å; L64-L66 HydrophobicContact CB-CD1 4.2Å; L64-L66 HydrophobicContact CB-CG 4.11Å; L64-L66 HydrophobicContact CD1-CD1 4.46Å; L64-L66 PolarHBondContact O-N 2.89Å |
| 65 | G | 54.2 | Low | 57 | Low | 67 Ų | 67 | 107.8 Ų | 107.8 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.9 | 20.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R61 L63 | R61-G65 PolarHBondContact O-N 3.27Å; R61-G65 VanDerWaalsContact O-N 3.15Å; L63-G65 VanDerWaalsContact C-N 3.32Å |
| 66 | L | 52 | Low | 56.7 | Low | 101 Ų | 101 | 106.6 Ų | 106.6 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -86.1 | 138.5 | 179.8 | -64.8 | 175.5 | 0 | 0 | 0 | 110.2 | R61 L64 | R61-L66 PolarHBondContact O-N 3.34Å; L64-L66 HydrophobicContact CB-CD1 4.2Å; L64-L66 HydrophobicContact CB-CG 4.11Å; L64-L66 HydrophobicContact CD1-CD1 4.46Å; L64-L66 PolarHBondContact O-N 2.89Å |
| 67 | P | 54.9 | Low | 55.9 | Low | 96 Ų | 96 | 114.1 Ų | 114.1 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -59 | 146.4 | 172.4 | 25.6 | -32.3 | 0 | 0 | 0 | 109.9 | A69 | P67-A69 PolarHBondContact O-N 3.06Š|
| 68 | D | 56.8 | Low | 55.8 | Low | 82 Ų | 82 | 115.7 Ų | 115.7 | 44% | 0.439 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 133.5 | 174.5 | -97.7 | -72.4 | 0 | 0 | 0 | 108.4 | D70 D71 | D68-D70 PolarHBondContact O-N 2.87Å; D68-D71 WeakPolarHBondContact O-CB 3.13Å; D68-D71 PolarHBondContact O-N 3.2Å |
| 69 | A | 59.4 | Low | 55.5 | Low | 60 Ų | 60 | 113.5 Ų | 113.5 | 50% | 0.496 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.2 | -1.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | R61 P67 | R61-A69 VanDerWaalsContact CZ-CB 3.45Å; P67-A69 PolarHBondContact O-N 3.06Å |
| 70 | D | 53.7 | Low | 55.1 | Low | 132 Ų | 132 | 116.9 Ų | 116.9 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -5.4 | 168.7 | -72.5 | -79.7 | 0 | 0 | 0 | 112.7 | D68 | D68-D70 PolarHBondContact O-N 2.87Š|
| 71 | D | 51.3 | Low | 55.3 | Low | 135 Ų | 135 | 119 Ų | 119 | 72% | 0.722 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -91 | 10.6 | -179.1 | -124.9 | -76.4 | 0 | 0 | 0 | 113.8 | D68 | D68-D71 WeakPolarHBondContact O-CB 3.13Å; D68-D71 PolarHBondContact O-N 3.2Å |
| 72 | D | 54.8 | Low | 55 | Low | 152 Ų | 152 | 123.7 Ų | 123.7 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -111.2 | 33.9 | 175.2 | -106.1 | -59.8 | 0 | 0 | 0 | 112 | F74 | D72-F74 VanDerWaalsContact C-N 3.33Å; D72-F74 PolarHBondContact O-N 3.43Å | ||
| 73 | A | 63.5 | Low | 54.7 | Low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -97.9 | 59.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 74 | F | 43.1 | Very low | 54.3 | Low | 158 Ų | 158 | 130.1 Ų | 130.1 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | trans | 59.1 | 103.1 | 154 | -166.1 | -100.1 | 0 | 0 | 0 | 117.5 | D72 E76 | D72-F74 VanDerWaalsContact C-N 3.33Å; D72-F74 PolarHBondContact O-N 3.43Å; F74-E76 HydrophobicContact CD1-CB 4.16Å; F74-E76 HydrophobicContact CE1-CB 3.44Å; F74-E76 VanDerWaalsContact CE1-CB 3.44Å; F74-E76 HydrophobicContact CE1-CG 3.82Å; F74-E76 HydrophobicContact CZ-CB 3.88Å; F74-E76 HydrophobicContact CZ-CG 4.01Å | ||
| 75 | E | 50.8 | Low | 53.7 | Low | 199 Ų | 199 | 133.6 Ų | 133.6 | 93% | 0.93 | 72% | 0.722 | S | S | * | * | trans | -105.9 | 98.7 | 145 | -79.2 | -162.3 | 154 | 0 | 0 | 109.9 | Y77 | E75-Y77 PolarHBondContact O-N 2.75Š| ||
| 76 | E | 54.4 | Low | 53.6 | Low | 133 Ų | 133 | 135.7 Ų | 135.7 | 62% | 0.621 | 72% | 0.723 | S | S | * | * | trans | -18.1 | 109.8 | 157.1 | -159.6 | 168.1 | 156.5 | 0 | 0 | 114.1 | F74 S78 | F74-E76 HydrophobicContact CD1-CB 4.16Å; F74-E76 HydrophobicContact CE1-CB 3.44Å; F74-E76 VanDerWaalsContact CE1-CB 3.44Å; F74-E76 HydrophobicContact CE1-CG 3.82Å; F74-E76 HydrophobicContact CZ-CB 3.88Å; F74-E76 HydrophobicContact CZ-CG 4.01Å; E76-S78 PolarHBondContact O-N 3.33Å | ||
| 77 | Y | 53.6 | Low | 53.7 | Low | 224 Ų | 224 | 140.3 Ų | 140.3 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | trans | -64.8 | 86.2 | 164.9 | -162 | -92.2 | 0 | 0 | 0 | 108 | E75 A79 | E75-Y77 PolarHBondContact O-N 2.75Å; Y77-A79 PolarHBondContact O-N 2.9Å; Y77-A79 VanDerWaalsContact O-N 3.08Å | ||
| 78 | S | 61.9 | Low | 53.8 | Low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -62.4 | 110.6 | 169 | -65.4 | 0 | 0 | 0 | 0 | 106.3 | E76 D80 | E76-S78 PolarHBondContact O-N 3.33Å; S78-D80 PolarHBondContact O-N 3.08Å | ||
| 79 | A | 53.8 | Low | 53.5 | Low | 81 Ų | 81 | 144 Ų | 144 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -59.9 | 99 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y77 V81 | Y77-A79 PolarHBondContact O-N 2.9Å; Y77-A79 VanDerWaalsContact O-N 3.08Å; A79-V81 PolarHBondContact O-N 2.95Å | ||
| 80 | D | 51.2 | Low | 53.5 | Low | 145 Ų | 145 | 148.6 Ų | 148.6 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -68.2 | 99.7 | 166.8 | -155.1 | -108.5 | 0 | 0 | 0 | 106.7 | S78 E82 | S78-D80 PolarHBondContact O-N 3.08Å; D80-E82 VanDerWaalsContact C-N 3.34Å; D80-E82 PolarHBondContact O-N 3.46Å; D80-E82 VanDerWaalsContact O-N 3.1Å | ||
| 81 | V | 61.2 | Low | 53.4 | Low | 122 Ų | 122 | 147.8 Ų | 147.8 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -65.8 | 100 | 163.1 | 171 | 0 | 0 | 0 | 0 | 104.8 | A79 E83 | A79-V81 PolarHBondContact O-N 2.95Å; V81-E83 PolarHBondContact O-N 3.01Å | ||
| 82 | E | 53.1 | Low | 53.8 | Low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -51.2 | 109.1 | 172.1 | -101.5 | 178.6 | 80.8 | 0 | 0 | 108.8 | D80 E84 | D80-E82 VanDerWaalsContact C-N 3.34Å; D80-E82 PolarHBondContact O-N 3.46Å; D80-E82 VanDerWaalsContact O-N 3.1Å; E82-E84 PolarHBondContact O-N 3.1Å | ||
| 83 | E | 48.1 | Very low | 53.8 | Low | 188 Ų | 188 | 150.7 Ų | 150.7 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -68.6 | 124 | 168.8 | -76.9 | -166.8 | 122 | 0 | 0 | 109.4 | V81 | V81-E83 PolarHBondContact O-N 3.01Š| ||
| 84 | E | 47.8 | Very low | 53.7 | Low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -33.1 | 128.5 | 165.1 | -175.8 | -177.3 | 104.2 | 0 | 0 | 114.9 | E82 | E82-E84 PolarHBondContact O-N 3.1Š| ||
| 85 | E | 47.8 | Very low | 54.4 | Low | 189 Ų | 189 | 148.4 Ų | 148.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -118.2 | 144.6 | 150.4 | -78.3 | -146.8 | 117.9 | 0 | 0 | 110.7 | ||||
| 86 | P | 51.4 | Low | 54.8 | Low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -91.5 | 161.1 | -150.8 | 19.7 | -4.5 | 0 | 0 | 0 | 114.5 | ||||
| 87 | E | 54.9 | Low | 55 | Low | 197 Ų | 197 | 145.4 Ų | 145.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -45.3 | 142 | -175.1 | -62.4 | 176.2 | 90.9 | 0 | 0 | 116.4 | ||||
| 88 | A | 56.6 | Low | 54.9 | Low | 102 Ų | 102 | 146.9 Ų | 146.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -137.2 | 91.2 | 152 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 89 | D | 51.1 | Low | 54.5 | Low | 153 Ų | 153 | 149.7 Ų | 149.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 36.6 | 113.6 | 138.3 | -144.6 | -112.6 | 0 | 0 | 0 | 119.9 | ||||
| 90 | H | 58.8 | Low | 54.6 | Low | 157 Ų | 157 | 153.3 Ų | 153.3 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -6.2 | 141.9 | 153.1 | -94.1 | -153.1 | 0 | 0 | 0 | 119.2 | ||||
| 91 | P | 51.3 | Low | 54.8 | Low | 115 Ų | 115 | 153.7 Ų | 153.7 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | -143.3 | 139.5 | 78.3 | 34 | -15.7 | 0 | 0 | 0 | 117.1 | M93 | P91-M93 PolarHBondContact O-N 3.4Š| |||
| 92 | Q | 60.2 | Low | 54.4 | Low | 169 Ų | 169 | 155.6 Ų | 155.6 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -48.9 | 116.1 | 156.9 | -176.4 | -173.9 | -90.2 | 0 | 0 | 112.2 | ||||
| 93 | M | 56.1 | Low | 54.5 | Low | 179 Ų | 179 | 154.1 Ų | 154.1 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -119.6 | 86.7 | 161.3 | -75.9 | -76.5 | -80.9 | 0 | 0 | 108.4 | P91 | P91-M93 PolarHBondContact O-N 3.4Š| ||
| 94 | G | 60.1 | Low | 54.9 | Low | 56 Ų | 56 | 151.9 Ų | 151.9 | 58% | 0.577 | 82% | 0.821 | S | S | * | * | trans | -66.7 | 143.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 95 | V | 57.7 | Low | 55.4 | Low | 143 Ų | 143 | 149.7 Ų | 149.7 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | -169.3 | 120.6 | 127.5 | 142.6 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 96 | S | 59.9 | Low | 56 | Low | 101 Ų | 101 | 146.7 Ų | 146.7 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -56.8 | 145.4 | 164 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 97 | Q | 59.1 | Low | 56.4 | Low | 168 Ų | 168 | 149.7 Ų | 149.7 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | 176.6 | 139 | 118.2 | -97.8 | -173.8 | 112.4 | 0 | 0 | 113.5 | |||||
| 98 | Q | 50.7 | Low | 56.5 | Low | 256 Ų | 256 | 145.4 Ų | 145.4 | 100% | 1.196 | 81% | 0.813 | S | S | * | * | trans | 90.3 | 0 | 160.4 | -65.8 | -179.3 | -12.4 | 0 | 0 | 118.8 |
Retrieved 98 of 98 residues in 23 ms
(Link to these results)