| 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 | 60.1 | Low | 76.2 | Confident | 189 Ų | 189 | 112.5 Ų | 112.5 | 93% | 0.931 | 58% | 0.58 | S | S | * | * | 0 | -13 | 0 | -83.1 | 174.8 | 88 | 0 | 0 | 115 | F5 | M1-F5 HydrophobicContact CB-CE2 4.16Å; M1-F5 HydrophobicContact CE-CE2 3.91Å; M1-F5 HydrophobicContact CE-CZ 4.05Å; M1-F5 WeakPolarHBondContact O-CD2 3.39Å | |||
| 2 | N | 65.5 | Low | 77 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.6 | -31.3 | -169.6 | -148.8 | -25.5 | 0 | 0 | 0 | 114.9 | R6 | N2-R6 VanDerWaalsContact O-CG 3.31Å; N2-R6 WeakPolarHBondContact O-CG 3.43Å; N2-R6 PolarHBondContact O-N 3.03Å; N2-R6 PolarHBondContact OD1-NE 3.42Å |
| 3 | T | 71.6 | Confident | 77.5 | Confident | 118 Ų | 118 | 107.9 Ų | 107.9 | 72% | 0.724 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.5 | -37.2 | -177.3 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | R6 S7 | T3-R6 PolarHBondContact O-N 2.7Å; T3-S7 PolarHBondContact O-N 3.47Å |
| 4 | L | 76.8 | Confident | 78 | Confident | 111 Ų | 111 | 105 Ų | 105 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.2 | -39.1 | -178.8 | -163.4 | 127.5 | 0 | 0 | 0 | 111.8 | R6 S7 I8 | L4-R6 VanDerWaalsContact C-N 3.35Å; L4-S7 PolarHBondContact O-N 3Å; L4-S7 PolarHBondContact O-OG 3.46Å; L4-I8 HydrophobicContact CD2-CD1 3.67Å; L4-I8 HydrophobicContact CG-CD1 4.37Å; L4-I8 WeakPolarHBondContact O-CD1 3.14Å; L4-I8 VanDerWaalsContact O-CG1 3.24Å; L4-I8 WeakPolarHBondContact O-CG1 3.5Å; L4-I8 PolarHBondContact O-N 3.35Å; L4-I8 VanDerWaalsContact O-N 3.13Å |
| 5 | F | 76.7 | Confident | 78.3 | Confident | 122 Ų | 122 | 109.5 Ų | 109.5 | 54% | 0.535 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.5 | -37.7 | 173 | -68.3 | -64 | 0 | 0 | 0 | 112.2 | M1 I8 F9 | M1-F5 HydrophobicContact CB-CE2 4.16Å; M1-F5 HydrophobicContact CE-CE2 3.91Å; M1-F5 HydrophobicContact CE-CZ 4.05Å; M1-F5 WeakPolarHBondContact O-CD2 3.39Å; F5-I8 PolarHBondContact O-N 3.16Å; F5-F9 VanDerWaalsContact O-CB 3.31Å; F5-F9 WeakPolarHBondContact O-CB 3.38Å; F5-F9 PolarHBondContact O-N 3.15Å |
| 6 | R | 72.3 | Confident | 78.4 | Confident | 147 Ų | 147 | 105.4 Ų | 105.4 | 56% | 0.555 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.1 | -42.4 | 176.3 | -74.8 | 177.1 | 179.3 | -146.4 | -4.4 | 112.3 | N2 T3 L4 F9 V10 | N2-R6 VanDerWaalsContact O-CG 3.31Å; N2-R6 WeakPolarHBondContact O-CG 3.43Å; N2-R6 PolarHBondContact O-N 3.03Å; N2-R6 PolarHBondContact OD1-NE 3.42Å; T3-R6 PolarHBondContact O-N 2.7Å; L4-R6 VanDerWaalsContact C-N 3.35Å; R6-F9 PolarHBondContact O-N 3.37Å; R6-V10 WeakPolarHBondContact O-CG2 3.45Å; R6-V10 PolarHBondContact O-N 3.1Å |
| 7 | S | 79.2 | Confident | 78.4 | Confident | 64 Ų | 64 | 109 Ų | 109 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.3 | -43.5 | 177.9 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | T3 L4 F9 V10 V11 | T3-S7 PolarHBondContact O-N 3.47Å; L4-S7 PolarHBondContact O-N 3Å; L4-S7 PolarHBondContact O-OG 3.46Å; S7-F9 VanDerWaalsContact C-N 3.33Å; S7-F9 PolarHBondContact O-N 3.06Å; S7-V10 PolarHBondContact O-N 3.22Å; S7-V11 WeakPolarHBondContact O-CG2 3.41Å; S7-V11 PolarHBondContact O-N 2.95Å |
| 8 | I | 84.2 | Confident | 78.3 | Confident | 86 Ų | 86 | 109.4 Ų | 109.4 | 44% | 0.441 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.9 | -45.8 | 176 | -66.5 | 166.3 | 0 | 0 | 0 | 110.4 | L4 F5 V10 V11 V12 | L4-I8 HydrophobicContact CD2-CD1 3.67Å; L4-I8 HydrophobicContact CG-CD1 4.37Å; L4-I8 WeakPolarHBondContact O-CD1 3.14Å; L4-I8 VanDerWaalsContact O-CG1 3.24Å; L4-I8 WeakPolarHBondContact O-CG1 3.5Å; L4-I8 PolarHBondContact O-N 3.35Å; L4-I8 VanDerWaalsContact O-N 3.13Å; F5-I8 PolarHBondContact O-N 3.16Å; I8-V10 PolarHBondContact O-N 3.01Å; I8-V11 PolarHBondContact O-N 2.98Å; I8-V12 HydrophobicContact CG2-CG2 4.36Å; I8-V12 WeakPolarHBondContact O-CG2 3.31Å; I8-V12 PolarHBondContact O-N 3.02Å |
| 9 | F | 82 | Confident | 78.2 | Confident | 120 Ų | 120 | 109.2 Ų | 109.2 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.6 | -45.3 | 179.2 | -176.1 | -98.8 | 0 | 0 | 0 | 112.2 | F5 R6 S7 V11 V12 V13 P108 | F5-F9 VanDerWaalsContact O-CB 3.31Å; F5-F9 WeakPolarHBondContact O-CB 3.38Å; F5-F9 PolarHBondContact O-N 3.15Å; R6-F9 PolarHBondContact O-N 3.37Å; S7-F9 VanDerWaalsContact C-N 3.33Å; S7-F9 PolarHBondContact O-N 3.06Å; F9-V11 VanDerWaalsContact C-N 3.34Å; F9-V11 PolarHBondContact O-N 3.23Å; F9-V12 PolarHBondContact O-N 3.3Å; F9-V13 HydrophobicContact CD1-CG2 4.17Å; F9-V13 HydrophobicContact CE1-CG2 3.78Å; F9-V13 HydrophobicContact CE2-CG2 4.31Å; F9-V13 HydrophobicContact CZ-CG2 3.86Å; F9-V13 WeakPolarHBondContact O-CG2 3.38Å; F9-V13 PolarHBondContact O-N 3.08Å; F9-P108 HydrophobicContact CZ-CB 4.49Å |
| 10 | V | 83.7 | Confident | 77.9 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.7 | -44.1 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | R6 S7 I8 V12 V13 V14 | R6-V10 WeakPolarHBondContact O-CG2 3.45Å; R6-V10 PolarHBondContact O-N 3.1Å; S7-V10 PolarHBondContact O-N 3.22Å; I8-V10 PolarHBondContact O-N 3.01Å; V10-V12 PolarHBondContact O-N 2.89Å; V10-V13 PolarHBondContact O-N 3.02Å; V10-V14 HydrophobicContact CG1-CG2 4.35Å; V10-V14 WeakPolarHBondContact O-CB 3.16Å; V10-V14 VanDerWaalsContact O-CG2 3.24Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 2.69Å |
| 11 | V | 85.9 | Confident | 77.4 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 61% | 0.606 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.2 | -43 | 178.7 | 174 | 0 | 0 | 0 | 0 | 111.3 | S7 I8 F9 V14 Y15 | S7-V11 WeakPolarHBondContact O-CG2 3.41Å; S7-V11 PolarHBondContact O-N 2.95Å; I8-V11 PolarHBondContact O-N 2.98Å; F9-V11 VanDerWaalsContact C-N 3.34Å; F9-V11 PolarHBondContact O-N 3.23Å; V11-V14 PolarHBondContact O-N 2.77Å; V11-Y15 WeakPolarHBondContact O-CB 3.45Å; V11-Y15 PolarHBondContact O-N 2.76Å |
| 12 | V | 85.6 | Confident | 77.6 | Confident | 89 Ų | 89 | 105.6 Ų | 105.6 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | I8 F9 V10 Y15 A16 | I8-V12 HydrophobicContact CG2-CG2 4.36Å; I8-V12 WeakPolarHBondContact O-CG2 3.31Å; I8-V12 PolarHBondContact O-N 3.02Å; F9-V12 PolarHBondContact O-N 3.3Å; V10-V12 PolarHBondContact O-N 2.89Å; V12-Y15 PolarHBondContact O-N 3.13Å; V12-A16 WeakPolarHBondContact O-CB 3.24Å; V12-A16 PolarHBondContact O-N 3.01Å |
| 13 | V | 84.3 | Confident | 77.3 | Confident | 76 Ų | 76 | 103.6 Ų | 103.6 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 178.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | F9 V10 A16 Y17 | F9-V13 HydrophobicContact CD1-CG2 4.17Å; F9-V13 HydrophobicContact CE1-CG2 3.78Å; F9-V13 HydrophobicContact CE2-CG2 4.31Å; F9-V13 HydrophobicContact CZ-CG2 3.86Å; F9-V13 WeakPolarHBondContact O-CG2 3.38Å; F9-V13 PolarHBondContact O-N 3.08Å; V10-V13 PolarHBondContact O-N 3.02Å; V13-A16 PolarHBondContact O-N 3.09Å; V13-Y17 PolarHBondContact O-N 3.46Å |
| 14 | V | 84 | Confident | 76.7 | Confident | 67 Ų | 67 | 102.7 Ų | 102.7 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | V10 V11 Y17 F18 | V10-V14 HydrophobicContact CG1-CG2 4.35Å; V10-V14 WeakPolarHBondContact O-CB 3.16Å; V10-V14 VanDerWaalsContact O-CG2 3.24Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 2.69Å; V11-V14 PolarHBondContact O-N 2.77Å; V14-Y17 WeakPolarHBondContact O-CB 3.39Å; V14-Y17 PolarHBondContact O-N 3.32Å; V14-F18 HydrophobicContact CG1-CD2 3.7Å; V14-F18 HydrophobicContact CG1-CE2 3.44Å; V14-F18 VanDerWaalsContact CG1-CE2 3.44Å; V14-F18 WeakPolarHBondContact O-CD2 3.34Å; V14-F18 PolarHBondContact O-N 3.08Å |
| 15 | Y | 82.4 | Confident | 75.9 | Confident | 173 Ų | 173 | 102.6 Ų | 102.6 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 178.2 | -168.5 | -94.8 | 0 | 0 | 0 | 112.1 | V11 V12 Y17 F18 D19 | V11-Y15 WeakPolarHBondContact O-CB 3.45Å; V11-Y15 PolarHBondContact O-N 2.76Å; V12-Y15 PolarHBondContact O-N 3.13Å; Y15-Y17 VanDerWaalsContact C-N 3.29Å; Y15-Y17 PolarHBondContact O-N 2.94Å; Y15-F18 PolarHBondContact O-N 2.93Å; Y15-D19 PolarHBondContact O-N 2.83Å |
| 16 | A | 79.8 | Confident | 75 | Confident | 43 Ų | 43 | 103.3 Ų | 103.3 | 36% | 0.355 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62 | -36.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V12 V13 D19 M20 | V12-A16 WeakPolarHBondContact O-CB 3.24Å; V12-A16 PolarHBondContact O-N 3.01Å; V13-A16 PolarHBondContact O-N 3.09Å; A16-D19 PolarHBondContact O-N 3.19Å; A16-M20 VanDerWaalsContact O-CG 3.31Å; A16-M20 WeakPolarHBondContact O-CG 3.24Å; A16-M20 PolarHBondContact O-N 3.33Å |
| 17 | Y | 78.9 | Confident | 74.6 | Confident | 167 Ų | 167 | 100.9 Ų | 100.9 | 66% | 0.655 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.8 | -43.1 | 175.2 | -173.4 | -95.7 | 0 | 0 | 0 | 112 | V13 V14 Y15 M20 A21 | V13-Y17 PolarHBondContact O-N 3.46Å; V14-Y17 WeakPolarHBondContact O-CB 3.39Å; V14-Y17 PolarHBondContact O-N 3.32Å; Y15-Y17 VanDerWaalsContact C-N 3.29Å; Y15-Y17 PolarHBondContact O-N 2.94Å; Y17-M20 PolarHBondContact O-N 3.44Å; Y17-A21 WeakPolarHBondContact O-CB 3.34Å; Y17-A21 PolarHBondContact O-N 2.77Å |
| 18 | F | 77.1 | Confident | 73.8 | Confident | 117 Ų | 117 | 103.5 Ų | 103.5 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.9 | -38.2 | 174.8 | -79.1 | -66.6 | 0 | 0 | 0 | 112.4 | V14 Y15 A21 N22 | V14-F18 HydrophobicContact CG1-CD2 3.7Å; V14-F18 HydrophobicContact CG1-CE2 3.44Å; V14-F18 VanDerWaalsContact CG1-CE2 3.44Å; V14-F18 WeakPolarHBondContact O-CD2 3.34Å; V14-F18 PolarHBondContact O-N 3.08Å; Y15-F18 PolarHBondContact O-N 2.93Å; F18-A21 PolarHBondContact O-N 2.98Å; F18-N22 WeakPolarHBondContact O-CB 3.47Å; F18-N22 PolarHBondContact O-N 2.85Å; F18-N22 PolarHBondContact O-ND2 2.82Å |
| 19 | D | 76.4 | Confident | 72.6 | Confident | 105 Ų | 105 | 109.1 Ų | 109.1 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.5 | -41.9 | 177 | -164 | 37.2 | 0 | 0 | 0 | 111.4 | Y15 A16 A21 N22 G23 | Y15-D19 PolarHBondContact O-N 2.83Å; A16-D19 PolarHBondContact O-N 3.19Å; D19-A21 VanDerWaalsContact C-N 3.34Å; D19-A21 PolarHBondContact O-N 2.73Å; D19-N22 PolarHBondContact O-N 2.97Å; D19-G23 WeakPolarHBondContact O-CA 3.43Å; D19-G23 PolarHBondContact O-N 2.96Å |
| 20 | M | 71.1 | Confident | 71.8 | Confident | 148 Ų | 148 | 108.8 Ų | 108.8 | 73% | 0.729 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.4 | -36.3 | 172.8 | -71.3 | -179.2 | -177.4 | 0 | 0 | 112.9 | A16 Y17 | A16-M20 VanDerWaalsContact O-CG 3.31Å; A16-M20 WeakPolarHBondContact O-CG 3.24Å; A16-M20 PolarHBondContact O-N 3.33Å; Y17-M20 PolarHBondContact O-N 3.44Å |
| 21 | A | 68.4 | Low | 70.8 | Confident | 56 Ų | 56 | 109.2 Ų | 109.2 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.5 | -36.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y17 F18 D19 | Y17-A21 WeakPolarHBondContact O-CB 3.34Å; Y17-A21 PolarHBondContact O-N 2.77Å; F18-A21 PolarHBondContact O-N 2.98Å; D19-A21 VanDerWaalsContact C-N 3.34Å; D19-A21 PolarHBondContact O-N 2.73Å |
| 22 | N | 63.4 | Low | 69.5 | Low | 128 Ų | 128 | 111 Ų | 111 | 68% | 0.684 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -87.3 | -21.6 | 178.7 | -66.5 | -42.4 | 0 | 0 | 0 | 113 | F18 D19 V24 | F18-N22 WeakPolarHBondContact O-CB 3.47Å; F18-N22 PolarHBondContact O-N 2.85Å; F18-N22 PolarHBondContact O-ND2 2.82Å; D19-N22 PolarHBondContact O-N 2.97Å; N22-V24 PolarHBondContact O-N 3.42Å |
| 23 | G | 60.3 | Low | 68.2 | Low | 51 Ų | 51 | 115.2 Ų | 115.2 | 53% | 0.526 | 62% | 0.62 | S | S | . | * | trans | -80.1 | 6.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D19 P25 | D19-G23 WeakPolarHBondContact O-CA 3.43Å; D19-G23 PolarHBondContact O-N 2.96Å; G23-P25 WeakPolarHBondContact O-CD 3.31Å | ||
| 24 | V | 58 | Low | 67 | Low | 98 Ų | 98 | 118.8 Ų | 118.8 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | trans | -67.5 | 111.2 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | N22 E26 | N22-V24 PolarHBondContact O-N 3.42Å; V24-E26 PolarHBondContact O-N 2.99Å | ||
| 25 | P | 60.2 | Low | 65.4 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 71% | 0.708 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 127.2 | 171.7 | -11.7 | 26.8 | 0 | 0 | 0 | 106.7 | G23 P27 | G23-P25 WeakPolarHBondContact O-CD 3.31Å; P25-P27 VanDerWaalsContact O-N 3.08Å |
| 26 | E | 58.9 | Low | 64.3 | Low | 137 Ų | 137 | 116.5 Ų | 116.5 | 64% | 0.64 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 123 | 172 | -157.3 | -177.3 | 168.3 | 0 | 0 | 106.9 | V24 R29 | V24-E26 PolarHBondContact O-N 2.99Å; E26-R29 IonicContact OE1-CZ 3.65Å; E26-R29 IonicContact OE1-NE 3.6Å; E26-R29 IonicContact OE1-NH2 2.83Å; E26-R29 PolarHBondContact OE1-NH2 2.93Å; E26-R29 IonicContact OE2-NH2 3.84Å |
| 27 | P | 62.7 | Low | 63 | Low | 96 Ų | 96 | 120 Ų | 120 | 62% | 0.623 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.4 | -174 | 18.3 | -29.2 | 0 | 0 | 0 | 108.6 | P25 R29 | P25-P27 VanDerWaalsContact O-N 3.08Å; P27-R29 PolarHBondContact O-N 3.28Å |
| 28 | P | 61.7 | Low | 61.9 | Low | 119 Ų | 119 | 118.8 Ų | 118.8 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 119.5 | 178.9 | -22.6 | 30 | 0 | 0 | 0 | 108.2 | V30 | P28-V30 VanDerWaalsContact C-N 3.33Å; P28-V30 PolarHBondContact O-N 3.05Å |
| 29 | R | 59.1 | Low | 60.6 | Low | 205 Ų | 205 | 124 Ų | 124 | 77% | 0.774 | 69% | 0.693 | S | S | * | * | trans | -60.4 | 103.8 | 175.5 | -68.7 | -175.9 | -173.2 | 159.2 | 6 | 106.3 | E26 P27 | E26-R29 IonicContact OE1-CZ 3.65Å; E26-R29 IonicContact OE1-NE 3.6Å; E26-R29 IonicContact OE1-NH2 2.83Å; E26-R29 PolarHBondContact OE1-NH2 2.93Å; E26-R29 IonicContact OE2-NH2 3.84Å; P27-R29 PolarHBondContact O-N 3.28Å | ||
| 30 | V | 65.9 | Low | 59.5 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | trans | -54.7 | 127.9 | 170.8 | -177.2 | 0 | 0 | 0 | 0 | 105.3 | P28 D32 | P28-V30 VanDerWaalsContact C-N 3.33Å; P28-V30 PolarHBondContact O-N 3.05Å; V30-D32 PolarHBondContact O-N 2.88Å; V30-D32 VanDerWaalsContact O-N 3.13Å | ||
| 31 | P | 62.5 | Low | 59 | Low | 97 Ų | 97 | 125.2 Ų | 125.2 | 63% | 0.63 | 71% | 0.707 | S | S | * | * | trans | -55.2 | 125.2 | 172.7 | -13.6 | 24.4 | 0 | 0 | 0 | 106.9 | E33 | P31-E33 PolarHBondContact O-N 2.73Š| ||
| 32 | D | 58.4 | Low | 58.2 | Low | 136 Ų | 136 | 127.8 Ų | 127.8 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | -58 | 105.8 | 171.7 | -77.6 | -41.7 | 0 | 0 | 0 | 107.1 | V30 D34 A35 | V30-D32 PolarHBondContact O-N 2.88Å; V30-D32 VanDerWaalsContact O-N 3.13Å; D32-D34 PolarHBondContact O-N 2.74Å; D32-A35 WeakPolarHBondContact O-CB 3.33Å; D32-A35 PolarHBondContact O-N 2.95Å | ||
| 33 | E | 59.8 | Low | 58.1 | Low | 179 Ų | 179 | 126.4 Ų | 126.4 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -2.6 | 175.2 | -66.8 | -86.5 | 143.5 | 0 | 0 | 111.8 | P31 | P31-E33 PolarHBondContact O-N 2.73Š|
| 34 | D | 57.2 | Low | 58.1 | Low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 14 | 174.8 | -72.8 | -42.1 | 0 | 0 | 0 | 113.7 | D32 V36 | D32-D34 PolarHBondContact O-N 2.74Å; D34-V36 PolarHBondContact O-N 3.47Å |
| 35 | A | 52 | Low | 57.9 | Low | 76 Ų | 76 | 130.1 Ų | 130.1 | 63% | 0.628 | 74% | 0.74 | S | S | * | * | trans | -68 | 83.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | D32 P37 | D32-A35 WeakPolarHBondContact O-CB 3.33Å; D32-A35 PolarHBondContact O-N 2.95Å; A35-P37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | V | 58.7 | Low | 58 | Low | 116 Ų | 116 | 131.6 Ų | 131.6 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | trans | -36.5 | 122.4 | 164.3 | 175.9 | 0 | 0 | 0 | 0 | 107 | D34 V38 | D34-V36 PolarHBondContact O-N 3.47Å; V36-V38 PolarHBondContact O-N 3.39Å | ||
| 37 | P | 51.8 | Low | 57.8 | Low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -58.7 | 109.4 | -178.8 | 22 | -30.1 | 0 | 0 | 0 | 106.4 | A35 R39 | A35-P37 VanDerWaalsContact O-N 3.13Å; P37-R39 PolarHBondContact O-N 2.91Å | ||
| 38 | V | 57.4 | Low | 57.6 | Low | 140 Ų | 140 | 136.6 Ų | 136.6 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -62.2 | 92.4 | 172.5 | 176.6 | 0 | 0 | 0 | 0 | 104.7 | V36 A40 | V36-V38 PolarHBondContact O-N 3.39Å; V38-A40 PolarHBondContact O-N 2.99Å; V38-A40 VanDerWaalsContact O-N 3.08Å | ||
| 39 | R | 48.6 | Very low | 57 | Low | 227 Ų | 227 | 135.2 Ų | 135.2 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | trans | 19.2 | 84.7 | 161.2 | -162.9 | 178.4 | -173.1 | -165 | 2 | 111.1 | P37 K41 | P37-R39 PolarHBondContact O-N 2.91Å; R39-K41 PolarHBondContact O-N 2.76Å | ||
| 40 | A | 53.4 | Low | 56.8 | Low | 91 Ų | 91 | 131.7 Ų | 131.7 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -47.9 | 112.1 | 170 | 0 | 0 | 0 | 0 | 0 | 107.4 | V38 | V38-A40 PolarHBondContact O-N 2.99Å; V38-A40 VanDerWaalsContact O-N 3.08Å | ||
| 41 | K | 59.9 | Low | 56.2 | Low | 188 Ų | 188 | 131.9 Ų | 131.9 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | -54.5 | 129.2 | 167.9 | -76.3 | 178.4 | 178.1 | 176.2 | 0 | 105.7 | R39 A43 | R39-K41 PolarHBondContact O-N 2.76Å; K41-A43 PolarHBondContact O-N 2.74Å | ||
| 42 | P | 53.4 | Low | 55.5 | Low | 109 Ų | 109 | 136.4 Ų | 136.4 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | trans | -61.7 | 113.2 | 175 | 24.3 | -29 | 0 | 0 | 0 | 107 | T44 | P42-T44 PolarHBondContact O-N 2.83Å; P42-T44 VanDerWaalsContact O-N 3.1Å | ||
| 43 | A | 60.4 | Low | 55.3 | Low | 100 Ų | 100 | 137.1 Ų | 137.1 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -74.8 | 12.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K41 | K41-A43 PolarHBondContact O-N 2.74Š|
| 44 | T | 59.6 | Low | 54.7 | Low | 105 Ų | 105 | 134.3 Ų | 134.3 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -127.9 | 116.1 | -179.3 | 35.8 | 0 | 0 | 0 | 0 | 110.1 | P42 I46 | P42-T44 PolarHBondContact O-N 2.83Å; P42-T44 VanDerWaalsContact O-N 3.1Å; T44-I46 PolarHBondContact O-N 3.47Å |
| 45 | P | 55.4 | Low | 54.4 | Low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -66.4 | 110.8 | 171.5 | 26 | -29.6 | 0 | 0 | 0 | 108.1 | K47 | P45-K47 PolarHBondContact O-N 2.95Š| ||
| 46 | I | 61.7 | Low | 54.2 | Low | 140 Ų | 140 | 136 Ų | 136 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -65.5 | 104.7 | 170.9 | -57 | 173 | 0 | 0 | 0 | 106.4 | T44 I48 | T44-I46 PolarHBondContact O-N 3.47Å; I46-I48 VanDerWaalsContact C-N 3.32Å; I46-I48 HydrophobicContact CB-CG1 4.45Å; I46-I48 HydrophobicContact CG2-CD1 4.48Å; I46-I48 HydrophobicContact CG2-CG1 3.69Å; I46-I48 PolarHBondContact O-N 3.38Å | ||
| 47 | K | 55.1 | Low | 53.9 | Low | 205 Ų | 205 | 138.7 Ų | 138.7 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -69 | 91.9 | 167 | -73.6 | -176.4 | 179.6 | -179.2 | 0 | 107.9 | P45 S49 | P45-K47 PolarHBondContact O-N 2.95Å; K47-S49 PolarHBondContact O-N 3.36Å; K47-S49 VanDerWaalsContact O-N 3.16Å | ||
| 48 | I | 57.2 | Low | 53.4 | Low | 133 Ų | 133 | 138.7 Ų | 138.7 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -80.2 | 91.6 | 168.4 | -49 | 174.2 | 0 | 0 | 0 | 106.3 | I46 T50 | I46-I48 VanDerWaalsContact C-N 3.32Å; I46-I48 HydrophobicContact CB-CG1 4.45Å; I46-I48 HydrophobicContact CG2-CD1 4.48Å; I46-I48 HydrophobicContact CG2-CG1 3.69Å; I46-I48 PolarHBondContact O-N 3.38Å; I48-T50 PolarHBondContact O-N 2.93Å; I48-T50 PolarHBondContact O-OG1 3.21Å | ||
| 49 | S | 50.2 | Low | 53 | Low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -64 | 107.5 | 166.9 | -148.8 | 0 | 0 | 0 | 0 | 106.7 | K47 D51 | K47-S49 PolarHBondContact O-N 3.36Å; K47-S49 VanDerWaalsContact O-N 3.16Å; S49-D51 PolarHBondContact O-N 3.06Å; S49-D51 PolarHBondContact OG-OD2 3.27Å | ||
| 50 | T | 54.4 | Low | 53 | Low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -84.5 | 61.1 | 177.3 | -45 | 0 | 0 | 0 | 0 | 107.9 | I48 K52 | I48-T50 PolarHBondContact O-N 2.93Å; I48-T50 PolarHBondContact O-OG1 3.21Å; T50-K52 PolarHBondContact O-N 2.72Å | ||
| 51 | D | 52.5 | Low | 52.9 | Low | 117 Ų | 117 | 141.1 Ų | 141.1 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | -94.9 | 97 | 175.7 | -75.2 | -49.1 | 0 | 0 | 0 | 109.5 | S49 | S49-D51 PolarHBondContact O-N 3.06Å; S49-D51 PolarHBondContact OG-OD2 3.27Å | ||
| 52 | K | 48.7 | Very low | 52.4 | Low | 191 Ų | 191 | 140.8 Ų | 140.8 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | 46.9 | 83 | 148 | -56.4 | -177.5 | -176 | -177.3 | 0 | 116.2 | T50 | T50-K52 PolarHBondContact O-N 2.72Š| ||
| 53 | I | 53.3 | Low | 52.2 | Low | 151 Ų | 151 | 141.5 Ų | 141.5 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -109.9 | 104.3 | 156.4 | -58.7 | 175.4 | 0 | 0 | 0 | 108.4 | V55 | I53-V55 HydrophobicContact CG2-CG2 3.63Š| ||
| 54 | P | 48.5 | Very low | 52 | Low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -90.5 | 103.6 | 168.9 | 32.5 | -24.3 | 0 | 0 | 0 | 108.6 | ||||
| 55 | V | 51.2 | Low | 51.6 | Low | 128 Ų | 128 | 143.3 Ų | 143.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -124.8 | 99.8 | 170.9 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | I53 | I53-V55 HydrophobicContact CG2-CG2 3.63Š| ||
| 56 | N | 47.8 | Very low | 51.3 | Low | 134 Ų | 134 | 143.3 Ų | 143.3 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -66.7 | 153.8 | 165.8 | -166.7 | -6.8 | 0 | 0 | 0 | 110.1 | ||||
| 57 | K | 51 | Low | 51 | Low | 173 Ų | 173 | 146 Ų | 146 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 96.2 | 94.8 | 163.8 | -55 | 178.6 | -178.5 | 178.2 | 0 | 118.4 | ||||
| 58 | T | 42.9 | Very low | 51 | Low | 117 Ų | 117 | 144.2 Ų | 144.2 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | 52.7 | 94.3 | 118 | -39.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 59 | M | 48 | Very low | 51 | Low | 177 Ų | 177 | 147.2 Ų | 147.2 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -122.9 | 103.5 | 146.6 | -99.6 | 177.8 | 78 | 0 | 0 | 108.7 | I61 | M59-I61 PolarHBondContact O-N 2.84Š| ||
| 60 | K | 48.8 | Very low | 51.3 | Low | 191 Ų | 191 | 151.7 Ų | 151.7 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -74.2 | 108.5 | 165.3 | -70.5 | -176.8 | 178.5 | -178.9 | 0 | 107.3 | Q62 | K60-Q62 PolarHBondContact O-N 3.31Š| ||
| 61 | I | 50.4 | Low | 51.5 | Low | 141 Ų | 141 | 154.4 Ų | 154.4 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | -78.3 | 100.8 | 168.5 | -60.3 | 172.7 | 0 | 0 | 0 | 106.7 | M59 T63 | M59-I61 PolarHBondContact O-N 2.84Å; I61-T63 PolarHBondContact O-N 2.99Å | ||
| 62 | Q | 49.3 | Very low | 52 | Low | 182 Ų | 182 | 158.1 Ų | 158.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -78.4 | 106.3 | 162.8 | -90 | -178.5 | -1 | 0 | 0 | 108 | K60 | K60-Q62 PolarHBondContact O-N 3.31Š| ||
| 63 | T | 49.2 | Very low | 52.5 | Low | 124 Ų | 124 | 154.1 Ų | 154.1 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -87.6 | 108 | 170 | -41.2 | 0 | 0 | 0 | 0 | 108.6 | I61 | I61-T63 PolarHBondContact O-N 2.99Š| ||
| 64 | T | 57 | Low | 53 | Low | 118 Ų | 118 | 151.4 Ų | 151.4 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 138.9 | 167 | 38.7 | 0 | 0 | 0 | 0 | 110.6 | S66 | T64-S66 PolarHBondContact O-N 3.47Å; T64-S66 VanDerWaalsContact O-N 3.15Å | ||
| 65 | P | 51.1 | Low | 53.5 | Low | 124 Ų | 124 | 151.1 Ų | 151.1 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -74.6 | 107.3 | 178.9 | 29.7 | -31.3 | 0 | 0 | 0 | 109.8 | K67 | P65-K67 PolarHBondContact O-N 3.43Š| ||
| 66 | S | 49.9 | Very low | 53.9 | Low | 121 Ų | 121 | 153.9 Ų | 153.9 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -72.2 | 119 | 174.4 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | T64 E68 | T64-S66 PolarHBondContact O-N 3.47Å; T64-S66 VanDerWaalsContact O-N 3.15Å; S66-E68 PolarHBondContact O-N 3.24Å | ||
| 67 | K | 55.6 | Low | 54.1 | Low | 196 Ų | 196 | 158 Ų | 158 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -63.3 | 116.2 | 174.4 | -70.6 | -176.3 | 177.7 | -179.3 | 0 | 109.5 | P65 K69 | P65-K67 PolarHBondContact O-N 3.43Å; K67-K69 PolarHBondContact O-N 3Å | ||
| 68 | E | 54.1 | Low | 54.2 | Low | 168 Ų | 168 | 158.8 Ų | 158.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -56.2 | 104 | 171.4 | -169.8 | -172.5 | 165.3 | 0 | 0 | 110.4 | S66 K70 | S66-E68 PolarHBondContact O-N 3.24Å; E68-K70 PolarHBondContact O-N 3.42Å | ||
| 69 | K | 57.4 | Low | 54.7 | Low | 197 Ų | 197 | 162.6 Ų | 162.6 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -77.7 | 104.5 | 164.3 | -83.9 | -174.1 | 177 | -180 | 0 | 107.8 | K67 Q71 | K67-K69 PolarHBondContact O-N 3Å; K69-Q71 PolarHBondContact O-N 3.04Å | ||
| 70 | K | 56.9 | Low | 54.9 | Low | 184 Ų | 184 | 165.9 Ų | 165.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -57.6 | 107.1 | 168.1 | -67 | -168.3 | 176.8 | -171.7 | 0 | 109.5 | E68 K72 | E68-K70 PolarHBondContact O-N 3.42Å; K70-K72 PolarHBondContact O-N 3.01Å | ||
| 71 | Q | 57.3 | Low | 55.1 | Low | 189 Ų | 189 | 162 Ų | 162 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 120.6 | 173.7 | -163.2 | 163.2 | 24.1 | 0 | 0 | 108.6 | K69 | K69-Q71 PolarHBondContact O-N 3.04Š|
| 72 | K | 63 | Low | 55.3 | Low | 195 Ų | 195 | 160 Ų | 160 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 133.6 | 175.1 | -86.5 | -177.3 | 176.1 | -175.9 | 0 | 109.6 | K70 D74 | K70-K72 PolarHBondContact O-N 3.01Å; K72-D74 PolarHBondContact O-N 3.38Å |
| 73 | P | 60.7 | Low | 55.3 | Low | 107 Ų | 107 | 161 Ų | 161 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 125.1 | 173 | 25.4 | -30.1 | 0 | 0 | 0 | 109.6 | P75 | P73-P75 WeakPolarHBondContact O-CD 3.32Š|
| 74 | D | 62.6 | Low | 55.3 | Low | 94 Ų | 94 | 163.8 Ų | 163.8 | 50% | 0.503 | 79% | 0.791 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 116.7 | 176.3 | -171.9 | -15.3 | 0 | 0 | 0 | 109.6 | K72 K76 R77 | K72-D74 PolarHBondContact O-N 3.38Å; D74-K76 PolarHBondContact O-N 3.07Å; D74-K76 VanDerWaalsContact O-N 3.08Å; D74-K76 WeakPolarHBondContact OD1-CB 3.48Å; D74-K76 PolarHBondContact OD1-N 3.33Å; D74-K76 VanDerWaalsContact OD1-N 3.09Å; D74-R77 WeakPolarHBondContact O-CB 3.45Å; D74-R77 PolarHBondContact O-N 2.73Å |
| 75 | P | 59.9 | Low | 55 | Low | 113 Ų | 113 | 166.3 Ų | 166.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -64.7 | -13.2 | -177.6 | 25.5 | -32.9 | 0 | 0 | 0 | 113 | P73 R77 | P73-P75 WeakPolarHBondContact O-CD 3.32Å; P75-R77 VanDerWaalsContact C-N 3.32Å |
| 76 | K | 59.1 | Low | 55.2 | Low | 187 Ų | 187 | 167.3 Ų | 167.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -79.2 | -12 | 174.1 | -66.8 | -177.7 | 179.3 | 177.8 | 0 | 113.6 | D74 | D74-K76 PolarHBondContact O-N 3.07Å; D74-K76 VanDerWaalsContact O-N 3.08Å; D74-K76 WeakPolarHBondContact OD1-CB 3.48Å; D74-K76 PolarHBondContact OD1-N 3.33Å; D74-K76 VanDerWaalsContact OD1-N 3.09Å |
| 77 | R | 53 | Low | 55.5 | Low | 220 Ų | 220 | 171.1 Ų | 171.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -84 | -9.3 | -177.6 | -150.4 | 173.6 | -171.9 | -157.7 | 1.2 | 114 | D74 P75 | D74-R77 WeakPolarHBondContact O-CB 3.45Å; D74-R77 PolarHBondContact O-N 2.73Å; P75-R77 VanDerWaalsContact C-N 3.32Å |
| 78 | Y | 52.9 | Low | 55.4 | Low | 190 Ų | 190 | 170.7 Ų | 170.7 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -90 | 8.4 | -173.6 | -96.1 | -90.6 | 0 | 0 | 0 | 116 | ||
| 79 | K | 52 | Low | 55.6 | Low | 196 Ų | 196 | 166.9 Ų | 166.9 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -104.7 | 23 | -179 | -76.2 | -159.5 | 177.2 | -170.5 | 0 | 115.7 | ||
| 80 | R | 52.2 | Low | 55.2 | Low | 247 Ų | 247 | 167.1 Ų | 167.1 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -132.9 | 66.7 | 176.7 | -77.8 | -175.9 | 173.9 | 174.5 | -2 | 112 | ||
| 81 | S | 53.6 | Low | 54.7 | Low | 108 Ų | 108 | 163.4 Ų | 163.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -148.3 | 0.3 | 167 | 62.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 82 | S | 54.6 | Low | 54.1 | Low | 99 Ų | 99 | 159.7 Ų | 159.7 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -101.9 | 13.9 | -177.1 | 69.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 83 | Y | 49.1 | Very low | 53.3 | Low | 203 Ų | 203 | 154.6 Ų | 154.6 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -126.3 | 49.8 | 174.5 | -70.7 | -81.8 | 0 | 0 | 0 | 111 | K85 | Y83-K85 PolarHBondContact O-N 2.74Š| ||
| 84 | Q | 49.5 | Very low | 52.7 | Low | 184 Ų | 184 | 154 Ų | 154 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -73.2 | 81.3 | 148.1 | -156.1 | 162.5 | 15.7 | 0 | 0 | 105.1 | D86 | Q84-D86 PolarHBondContact O-N 2.89Š| ||
| 85 | K | 49.8 | Very low | 52.2 | Low | 170 Ų | 170 | 155.3 Ų | 155.3 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | -52.2 | 113.2 | 167.9 | -85.7 | -178.3 | 175.3 | 179.3 | 0 | 104.9 | Y83 K87 | Y83-K85 PolarHBondContact O-N 2.74Å; K85-K87 PolarHBondContact O-N 2.93Å | ||
| 86 | D | 56.1 | Low | 51.7 | Low | 146 Ų | 146 | 156.5 Ų | 156.5 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -48.6 | 99.5 | 157.8 | -72.5 | -36.6 | 0 | 0 | 0 | 105.6 | Q84 K88 | Q84-D86 PolarHBondContact O-N 2.89Å; D86-K88 PolarHBondContact O-N 3.44Å | ||
| 87 | K | 56.3 | Low | 51.3 | Low | 200 Ų | 200 | 153.8 Ų | 153.8 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -66.3 | 82.4 | 162.4 | -74.9 | -176.7 | 179.4 | 179.4 | 0 | 103 | K85 A89 | K85-K87 PolarHBondContact O-N 2.93Å; K87-A89 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 3.45Å | ||
| 88 | K | 53.2 | Low | 51.1 | Low | 187 Ų | 187 | 149.6 Ų | 149.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -47.9 | 112.6 | 161.9 | -74.8 | -161.9 | 177.5 | -158.3 | 0 | 103.7 | D86 K90 | D86-K88 PolarHBondContact O-N 3.44Å; K88-K90 PolarHBondContact O-N 3.45Å | ||
| 89 | A | 58 | Low | 50.8 | Low | 89 Ų | 89 | 142.6 Ų | 142.6 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -43.8 | 124.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | K87 S91 | K87-A89 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 3.45Å; A89-S91 PolarHBondContact O-N 3.49Å | ||
| 90 | K | 49.4 | Very low | 50.7 | Low | 202 Ų | 202 | 142 Ų | 142 | 88% | 0.878 | 75% | 0.75 | S | S | * | * | trans | -58.8 | 98.7 | 165.9 | -75 | -178.7 | 177.7 | -176.8 | 0 | 103.5 | K88 S92 | K88-K90 PolarHBondContact O-N 3.45Å; K90-S92 PolarHBondContact O-N 2.95Å | ||
| 91 | S | 46.3 | Very low | 50.6 | Low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -54.4 | 105.2 | 164.3 | 175.6 | 0 | 0 | 0 | 0 | 103.4 | A89 S93 | A89-S91 PolarHBondContact O-N 3.49Å; S91-S93 PolarHBondContact O-N 3.47Å | ||
| 92 | S | 45.9 | Very low | 50.4 | Low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -67.1 | 84.5 | 167.1 | -169.6 | 0 | 0 | 0 | 0 | 103.8 | K90 S94 | K90-S92 PolarHBondContact O-N 2.95Å; S92-S94 PolarHBondContact O-N 3.13Å | ||
| 93 | S | 46 | Very low | 50.1 | Low | 89 Ų | 89 | 134.3 Ų | 134.3 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | trans | -58.4 | 85.5 | 162 | 156 | 0 | 0 | 0 | 0 | 104.5 | S91 T95 | S91-S93 PolarHBondContact O-N 3.47Å; S93-T95 PolarHBondContact O-N 3.35Å | ||
| 94 | S | 46.3 | Very low | 50.1 | Low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | trans | -60.8 | 98.9 | 163.5 | -162.1 | 0 | 0 | 0 | 0 | 103.5 | S92 L96 | S92-S94 PolarHBondContact O-N 3.13Å; S94-L96 PolarHBondContact O-N 3.01Å | ||
| 95 | T | 52 | Low | 50.2 | Low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -60.6 | 79.7 | 158.9 | 16.5 | 0 | 0 | 0 | 0 | 104.7 | S93 T97 | S93-T95 PolarHBondContact O-N 3.35Å; T95-T97 VanDerWaalsContact C-N 3.33Å; T95-T97 PolarHBondContact O-N 3.07Å | ||
| 96 | L | 49.8 | Very low | 50.4 | Low | 137 Ų | 137 | 124.5 Ų | 124.5 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | trans | -53.9 | 111.1 | 165.8 | -152.4 | 95.7 | 0 | 0 | 0 | 102.8 | S94 I98 | S94-L96 PolarHBondContact O-N 3.01Å; L96-I98 PolarHBondContact O-N 2.65Å | ||
| 97 | T | 50.8 | Low | 50.3 | Low | 131 Ų | 131 | 120.6 Ų | 120.6 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -65.5 | 93.9 | 178.7 | -27.7 | 0 | 0 | 0 | 0 | 104.1 | T95 G99 | T95-T97 VanDerWaalsContact C-N 3.33Å; T95-T97 PolarHBondContact O-N 3.07Å; T97-G99 PolarHBondContact O-N 3.43Å | ||
| 98 | I | 50.3 | Low | 50.1 | Low | 131 Ų | 131 | 113.7 Ų | 113.7 | 67% | 0.672 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 55.4 | 167.4 | -55.7 | 168.2 | 0 | 0 | 0 | 105.6 | L96 P101 | L96-I98 PolarHBondContact O-N 2.65Å; I98-P101 HydrophobicContact CG2-CG 3.57Å |
| 99 | G | 46.4 | Very low | 50.1 | Low | 44 Ų | 44 | 113.1 Ų | 113.1 | 45% | 0.454 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.2 | -11.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T97 | T97-G99 PolarHBondContact O-N 3.43Š|
| 100 | Y | 48.5 | Very low | 50 | Low | 183 Ų | 183 | 113 Ų | 113 | 72% | 0.718 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -142.3 | 14.2 | -172.5 | -72.3 | -76 | 0 | 0 | 0 | 119.1 | ||
| 101 | P | 49.9 | Very low | 50.3 | Low | 63 Ų | 63 | 108 Ų | 108 | 41% | 0.409 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -82.5 | -13.3 | 169.3 | 29.7 | -27.5 | 0 | 0 | 0 | 113.8 | I98 I105 | I98-P101 HydrophobicContact CG2-CG 3.57Å; P101-I105 WeakPolarHBondContact O-CD1 3.35Å; P101-I105 WeakPolarHBondContact O-CG1 3.38Å |
| 102 | I | 50.7 | Low | 50.7 | Low | 121 Ų | 121 | 106 Ų | 106 | 62% | 0.621 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.5 | -32.7 | 179.3 | -58.9 | 172 | 0 | 0 | 0 | 111 | F104 I105 T106 | I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 3.03Å; I102-I105 PolarHBondContact O-N 3.06Å; I102-T106 HydrophobicContact CG2-CG2 3.94Å; I102-T106 WeakPolarHBondContact O-CG2 3.48Å; I102-T106 PolarHBondContact O-N 3.36Å; I102-T106 PolarHBondContact O-OG1 3.34Å |
| 103 | L | 47.2 | Very low | 51.2 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.8 | -27.9 | -177.5 | -150.1 | 79.1 | 0 | 0 | 0 | 112.9 | T107 | L103-T107 WeakPolarHBondContact O-CB 3.05Å; L103-T107 WeakPolarHBondContact O-CG2 3.18Å; L103-T107 PolarHBondContact O-N 3.29Å; L103-T107 PolarHBondContact O-OG1 3.42Å |
| 104 | F | 49 | Very low | 51.7 | Low | 166 Ų | 166 | 113.7 Ų | 113.7 | 73% | 0.728 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -83 | -22.1 | 176.7 | -85.7 | -85.4 | 0 | 0 | 0 | 113.8 | I102 T107 P108 | I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 3.03Å; F104-T107 WeakPolarHBondContact CA-OG1 3.31Å; F104-T107 PolarHBondContact O-OG1 3.39Å; F104-P108 WeakPolarHBondContact O-CD 3.34Å |
| 105 | I | 52.1 | Low | 52 | Low | 122 Ų | 122 | 116.2 Ų | 116.2 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -87.4 | -31.4 | 177.2 | -57.8 | 166.4 | 0 | 0 | 0 | 110.4 | P101 I102 | P101-I105 WeakPolarHBondContact O-CD1 3.35Å; P101-I105 WeakPolarHBondContact O-CG1 3.38Å; I102-I105 PolarHBondContact O-N 3.06Å |
| 106 | T | 53.3 | Low | 51.7 | Low | 62 Ų | 62 | 120 Ų | 120 | 38% | 0.38 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -83.2 | -28.4 | 179.5 | 58 | 0 | 0 | 0 | 0 | 113.6 | I102 F109 V110 | I102-T106 HydrophobicContact CG2-CG2 3.94Å; I102-T106 WeakPolarHBondContact O-CG2 3.48Å; I102-T106 PolarHBondContact O-N 3.36Å; I102-T106 PolarHBondContact O-OG1 3.34Å; T106-F109 PolarHBondContact O-N 3.23Å; T106-F109 VanDerWaalsContact O-N 3.14Å; T106-V110 WeakPolarHBondContact O-CG2 3.35Å; T106-V110 PolarHBondContact O-N 3.22Å |
| 107 | T | 55.7 | Low | 51.8 | Low | 64 Ų | 64 | 119.2 Ų | 119.2 | 39% | 0.393 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.2 | -46.9 | 179.8 | 25.5 | 0 | 0 | 0 | 0 | 114.2 | L103 F104 F109 V110 I111 | L103-T107 WeakPolarHBondContact O-CB 3.05Å; L103-T107 WeakPolarHBondContact O-CG2 3.18Å; L103-T107 PolarHBondContact O-N 3.29Å; L103-T107 PolarHBondContact O-OG1 3.42Å; F104-T107 WeakPolarHBondContact CA-OG1 3.31Å; F104-T107 PolarHBondContact O-OG1 3.39Å; T107-F109 VanDerWaalsContact C-N 3.28Å; T107-F109 PolarHBondContact O-N 3.24Å; T107-V110 PolarHBondContact O-N 3.41Å; T107-I111 WeakPolarHBondContact O-CD1 3.44Å; T107-I111 WeakPolarHBondContact O-CG1 3.22Å; T107-I111 PolarHBondContact O-N 3.11Å; T107-I111 VanDerWaalsContact O-N 3.11Å |
| 108 | P | 52 | Low | 51.8 | Low | 56 Ų | 56 | 118.6 Ų | 118.6 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.8 | -25.3 | 175.3 | 25.8 | -32.5 | 0 | 0 | 0 | 112.8 | F9 F104 S112 | F9-P108 HydrophobicContact CZ-CB 4.49Å; F104-P108 WeakPolarHBondContact O-CD 3.34Å; P108-S112 WeakPolarHBondContact O-CB 3.34Å; P108-S112 PolarHBondContact O-N 2.93Å; P108-S112 VanDerWaalsContact O-N 3.16Å |
| 109 | F | 53.1 | Low | 51.9 | Low | 174 Ų | 174 | 117.9 Ų | 117.9 | 76% | 0.763 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.2 | -32.3 | 177.4 | -130.2 | -89.3 | 0 | 0 | 0 | 112.7 | T106 T107 | T106-F109 PolarHBondContact O-N 3.23Å; T106-F109 VanDerWaalsContact O-N 3.14Å; T107-F109 VanDerWaalsContact C-N 3.28Å; T107-F109 PolarHBondContact O-N 3.24Å |
| 110 | V | 55.4 | Low | 52.2 | Low | 86 Ų | 86 | 122.2 Ų | 122.2 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -77.9 | -38.3 | 175.2 | 177 | 0 | 0 | 0 | 0 | 111.3 | T106 T107 S112 K113 | T106-V110 WeakPolarHBondContact O-CG2 3.35Å; T106-V110 PolarHBondContact O-N 3.22Å; T107-V110 PolarHBondContact O-N 3.41Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 3.14Å; V110-K113 PolarHBondContact O-N 3.19Å |
| 111 | I | 55.7 | Low | 52.5 | Low | 98 Ų | 98 | 118.4 Ų | 118.4 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.6 | -35.6 | 177.2 | -64.1 | 162.7 | 0 | 0 | 0 | 111.1 | T107 K113 F114 L115 | T107-I111 WeakPolarHBondContact O-CD1 3.44Å; T107-I111 WeakPolarHBondContact O-CG1 3.22Å; T107-I111 PolarHBondContact O-N 3.11Å; T107-I111 VanDerWaalsContact O-N 3.11Å; I111-K113 PolarHBondContact O-N 3.16Å; I111-F114 PolarHBondContact O-N 3.46Å; I111-L115 HydrophobicContact CG2-CD1 4.02Å |
| 112 | S | 54 | Low | 52.6 | Low | 62 Ų | 62 | 122.1 Ų | 122.1 | 43% | 0.434 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.8 | -17.3 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 114.1 | P108 V110 | P108-S112 WeakPolarHBondContact O-CB 3.34Å; P108-S112 PolarHBondContact O-N 2.93Å; P108-S112 VanDerWaalsContact O-N 3.16Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 3.14Å |
| 113 | K | 56.1 | Low | 52.8 | Low | 178 Ų | 178 | 122.2 Ų | 122.2 | 77% | 0.774 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -92.3 | -13.5 | 176.9 | -110 | -155.6 | 178.4 | -170.2 | 0 | 113.9 | V110 I111 | V110-K113 PolarHBondContact O-N 3.19Å; I111-K113 PolarHBondContact O-N 3.16Å |
| 114 | F | 57.9 | Low | 53.2 | Low | 185 Ų | 185 | 123.2 Ų | 123.2 | 81% | 0.811 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -97.2 | -8.3 | 178.8 | -100.6 | -87.2 | 0 | 0 | 0 | 113.7 | I111 | I111-F114 PolarHBondContact O-N 3.46Å |
| 115 | L | 51.4 | Low | 53.6 | Low | 147 Ų | 147 | 119.7 Ų | 119.7 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | trans | -112.2 | 15.6 | -176 | -102.2 | 145.4 | 0 | 0 | 0 | 113.4 | I111 | I111-L115 HydrophobicContact CG2-CD1 4.02Š| ||
| 116 | L | 46 | Very low | 53.7 | Low | 202 Ų | 202 | 119.5 Ų | 119.5 | 100% | 1.058 | 62% | 0.615 | S | S | * | * | trans | -118.7 | 0 | 172.2 | -137.7 | 106.2 | 0 | 0 | 0 | 109.1 |
Retrieved 116 of 116 residues in 311.2 ms
(Link to these results)