| 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 | 71.1 | Confident | 70.8 | Confident | 182 Ų | 182 | 109.2 Ų | 109.2 | 90% | 0.897 | 54% | 0.538 | S | S | * | . | 0 | -41.7 | 0 | -147.1 | 163.4 | 84.3 | 0 | 0 | 112.9 | F3 I4 H5 | M1-F3 PolarHBondContact O-N 2.68Å; M1-I4 PolarHBondContact O-N 3.37Å; M1-H5 PolarHBondContact O-ND1 3.35Å | |||
| 2 | I | 74.9 | Confident | 70.3 | Confident | 115 Ų | 115 | 106.3 Ų | 106.3 | 59% | 0.59 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | -179.3 | -167.1 | 64.5 | 0 | 0 | 0 | 114.2 | I4 H5 I6 | I2-I4 VanDerWaalsContact C-N 3.31Å; I2-I4 PolarHBondContact O-N 3.46Å; I2-H5 WeakPolarHBondContact O-CB 3.13Å; I2-H5 PolarHBondContact O-N 3.32Å; I2-I6 HydrophobicContact CG1-CD1 3.91Å; I2-I6 HydrophobicContact CG1-CG1 4.42Å; I2-I6 WeakPolarHBondContact O-CD1 3.45Å; I2-I6 WeakPolarHBondContact O-CG1 3.39Å; I2-I6 PolarHBondContact O-N 3.24Å |
| 3 | F | 67.6 | Low | 69.5 | Low | 111 Ų | 111 | 108.4 Ų | 108.4 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -55.9 | -41.3 | 178.2 | -72.3 | -80.6 | 0 | 0 | 0 | 113.4 | M1 H5 I6 I7 E63 | M1-F3 PolarHBondContact O-N 2.68Å; F3-H5 VanDerWaalsContact C-N 3.32Å; F3-H5 PolarHBondContact O-N 3.32Å; F3-I6 PolarHBondContact O-N 3.33Å; F3-I7 WeakPolarHBondContact O-CG1 3.46Å; F3-I7 PolarHBondContact O-N 3.34Å; F3-E63 WeakPolarHBondContact CD1-OE2 3.35Å; F3-E63 WeakPolarHBondContact CE1-OE2 3.22Å |
| 4 | I | 77.9 | Confident | 68.8 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 177.8 | -60 | 165.9 | 0 | 0 | 0 | 110.7 | M1 I2 I6 I7 K8 | M1-I4 PolarHBondContact O-N 3.37Å; I2-I4 VanDerWaalsContact C-N 3.31Å; I2-I4 PolarHBondContact O-N 3.46Å; I4-I6 VanDerWaalsContact C-N 3.34Å; I4-I7 PolarHBondContact O-N 3.2Å; I4-K8 WeakPolarHBondContact O-CB 3.28Å; I4-K8 PolarHBondContact O-N 3.31Å |
| 5 | H | 74.4 | Confident | 68.2 | Low | 97 Ų | 97 | 110.6 Ų | 110.6 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -40.8 | 177.1 | -69.4 | 78.3 | 0 | 0 | 0 | 110.9 | M1 I2 F3 K8 I9 | M1-H5 PolarHBondContact O-ND1 3.35Å; I2-H5 WeakPolarHBondContact O-CB 3.13Å; I2-H5 PolarHBondContact O-N 3.32Å; F3-H5 VanDerWaalsContact C-N 3.32Å; F3-H5 PolarHBondContact O-N 3.32Å; H5-K8 PolarHBondContact O-N 2.75Å; H5-I9 WeakPolarHBondContact O-CB 3.45Å; H5-I9 WeakPolarHBondContact O-CD1 3.01Å; H5-I9 VanDerWaalsContact O-CG1 3.24Å; H5-I9 WeakPolarHBondContact O-CG1 3.28Å; H5-I9 PolarHBondContact O-N 2.98Å |
| 6 | I | 66.6 | Low | 67.3 | Low | 34 Ų | 34 | 114.9 Ų | 114.9 | 17% | 0.174 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -62.2 | -46.2 | 177 | -63.7 | 155.3 | 0 | 0 | 0 | 110.9 | I2 F3 I4 K8 I9 K10 V67 | I2-I6 HydrophobicContact CG1-CD1 3.91Å; I2-I6 HydrophobicContact CG1-CG1 4.42Å; I2-I6 WeakPolarHBondContact O-CD1 3.45Å; I2-I6 WeakPolarHBondContact O-CG1 3.39Å; I2-I6 PolarHBondContact O-N 3.24Å; F3-I6 PolarHBondContact O-N 3.33Å; I4-I6 VanDerWaalsContact C-N 3.34Å; I6-K8 VanDerWaalsContact C-N 3.28Å; I6-K8 PolarHBondContact O-N 3.5Å; I6-I9 PolarHBondContact O-N 3.08Å; I6-K10 WeakPolarHBondContact O-CB 3.5Å; I6-K10 PolarHBondContact O-N 3.06Å; I6-V67 HydrophobicContact CD1-CG2 3.36Å; I6-V67 HydrophobicContact CG1-CG2 3.91Å; I6-V67 HydrophobicContact CG2-CG2 4.13Å |
| 7 | I | 72 | Confident | 66.2 | Low | 105 Ų | 105 | 112.2 Ų | 112.2 | 54% | 0.538 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.2 | -43.1 | 176.7 | -66.3 | 163 | 0 | 0 | 0 | 110.5 | F3 I4 K10 S11 | F3-I7 WeakPolarHBondContact O-CG1 3.46Å; F3-I7 PolarHBondContact O-N 3.34Å; I4-I7 PolarHBondContact O-N 3.2Å; I7-K10 PolarHBondContact O-N 2.86Å; I7-S11 WeakPolarHBondContact O-CB 3.42Å; I7-S11 PolarHBondContact O-N 3.38Å |
| 8 | K | 73.1 | Confident | 65 | Low | 148 Ų | 148 | 114.4 Ų | 114.4 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.5 | -46.4 | 178.3 | -175 | 166.9 | 175.1 | 162.8 | 0 | 112.2 | I4 H5 I6 K10 S11 S12 | I4-K8 WeakPolarHBondContact O-CB 3.28Å; I4-K8 PolarHBondContact O-N 3.31Å; H5-K8 PolarHBondContact O-N 2.75Å; I6-K8 VanDerWaalsContact C-N 3.28Å; I6-K8 PolarHBondContact O-N 3.5Å; K8-K10 PolarHBondContact O-N 3.47Å; K8-S11 PolarHBondContact O-N 3.44Å; K8-S12 PolarHBondContact O-N 2.86Å; K8-S12 PolarHBondContact O-OG 3.19Å |
| 9 | I | 72.4 | Confident | 63.9 | Low | 72 Ų | 72 | 114.3 Ų | 114.3 | 37% | 0.369 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61 | -44.9 | 176.9 | -68.1 | 159.2 | 0 | 0 | 0 | 110.4 | H5 I6 S11 S12 F13 V70 | H5-I9 WeakPolarHBondContact O-CB 3.45Å; H5-I9 WeakPolarHBondContact O-CD1 3.01Å; H5-I9 VanDerWaalsContact O-CG1 3.24Å; H5-I9 WeakPolarHBondContact O-CG1 3.28Å; H5-I9 PolarHBondContact O-N 2.98Å; I6-I9 PolarHBondContact O-N 3.08Å; I9-S11 VanDerWaalsContact C-N 3.31Å; I9-S11 PolarHBondContact O-N 3.5Å; I9-S12 PolarHBondContact O-N 3.33Å; I9-F13 WeakPolarHBondContact O-CB 3.47Å; I9-F13 PolarHBondContact O-N 3.35Å; I9-V70 HydrophobicContact CG2-CG1 4.29Å |
| 10 | K | 62.9 | Low | 62.9 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 60% | 0.596 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.8 | -44.2 | 174.8 | -167.9 | -168.9 | 79.9 | 171.9 | 0 | 111.5 | I6 I7 K8 F13 N14 | I6-K10 WeakPolarHBondContact O-CB 3.5Å; I6-K10 PolarHBondContact O-N 3.06Å; I7-K10 PolarHBondContact O-N 2.86Å; K8-K10 PolarHBondContact O-N 3.47Å; K10-F13 PolarHBondContact O-N 3.07Å; K10-N14 VanDerWaalsContact O-CB 3.27Å; K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 PolarHBondContact O-N 3.06Å |
| 11 | S | 65.8 | Low | 61.9 | Low | 80 Ų | 80 | 116.4 Ų | 116.4 | 56% | 0.559 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.5 | -40.7 | 179.3 | -154.2 | 0 | 0 | 0 | 0 | 111.9 | I7 K8 I9 H15 | I7-S11 WeakPolarHBondContact O-CB 3.42Å; I7-S11 PolarHBondContact O-N 3.38Å; K8-S11 PolarHBondContact O-N 3.44Å; I9-S11 VanDerWaalsContact C-N 3.31Å; I9-S11 PolarHBondContact O-N 3.5Å; S11-H15 WeakPolarHBondContact O-CB 3.2Å; S11-H15 PolarHBondContact O-N 3.02Å; S11-H15 VanDerWaalsContact O-N 3.14Å |
| 12 | S | 65.3 | Low | 60.5 | Low | 75 Ų | 75 | 111 Ų | 111 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.8 | -39.6 | 175.4 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | K8 I9 H15 F16 | K8-S12 PolarHBondContact O-N 2.86Å; K8-S12 PolarHBondContact O-OG 3.19Å; I9-S12 PolarHBondContact O-N 3.33Å; S12-H15 PolarHBondContact O-N 3.26Å; S12-F16 WeakPolarHBondContact O-CB 3.23Å; S12-F16 PolarHBondContact O-N 3.45Å |
| 13 | F | 59.7 | Low | 58.7 | Low | 133 Ų | 133 | 117 Ų | 117 | 58% | 0.583 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.8 | -41.7 | 177.6 | -170 | -92.4 | 0 | 0 | 0 | 112 | I9 K10 H15 F16 S17 | I9-F13 WeakPolarHBondContact O-CB 3.47Å; I9-F13 PolarHBondContact O-N 3.35Å; K10-F13 PolarHBondContact O-N 3.07Å; F13-H15 VanDerWaalsContact C-N 3.29Å; F13-H15 PolarHBondContact O-N 3.41Å; F13-F16 CarbonylContact O-C 3.58Å; F13-F16 PolarHBondContact O-N 3.42Å; F13-F16 VanDerWaalsContact O-N 3.11Å; F13-S17 WeakPolarHBondContact O-CB 3.48Å; F13-S17 PolarHBondContact O-N 3.11Å |
| 14 | N | 60.1 | Low | 57.5 | Low | 105 Ų | 105 | 117.1 Ų | 117.1 | 56% | 0.561 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.8 | -40.3 | 175.9 | -173.3 | -100.3 | 0 | 0 | 0 | 111.3 | K10 S17 Q18 | K10-N14 VanDerWaalsContact O-CB 3.27Å; K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 PolarHBondContact O-N 3.06Å; N14-S17 PolarHBondContact O-N 2.61Å; N14-Q18 PolarHBondContact O-N 3.28Å; N14-Q18 VanDerWaalsContact O-N 3.1Å |
| 15 | H | 59 | Low | 56.1 | Low | 145 Ų | 145 | 119.2 Ų | 119.2 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64 | -39.8 | 172.6 | -174.5 | -92.8 | 0 | 0 | 0 | 112.3 | S11 S12 F13 Q18 | S11-H15 WeakPolarHBondContact O-CB 3.2Å; S11-H15 PolarHBondContact O-N 3.02Å; S11-H15 VanDerWaalsContact O-N 3.14Å; S12-H15 PolarHBondContact O-N 3.26Å; F13-H15 VanDerWaalsContact C-N 3.29Å; F13-H15 PolarHBondContact O-N 3.41Å; H15-Q18 PolarHBondContact O-N 2.84Å |
| 16 | F | 54.7 | Low | 54.7 | Low | 179 Ų | 179 | 118.3 Ų | 118.3 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 177.6 | -166.4 | -100.4 | 0 | 0 | 0 | 112.8 | S12 F13 Q18 | S12-F16 WeakPolarHBondContact O-CB 3.23Å; S12-F16 PolarHBondContact O-N 3.45Å; F13-F16 CarbonylContact O-C 3.58Å; F13-F16 PolarHBondContact O-N 3.42Å; F13-F16 VanDerWaalsContact O-N 3.11Å; F16-Q18 VanDerWaalsContact C-N 3.27Å; F16-Q18 PolarHBondContact O-N 3.28Å |
| 17 | S | 48 | Very low | 53.5 | Low | 70 Ų | 70 | 120 Ų | 120 | 49% | 0.49 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -81.1 | -4.4 | 177.6 | -163.1 | 0 | 0 | 0 | 0 | 113.2 | F13 N14 S19 | F13-S17 WeakPolarHBondContact O-CB 3.48Å; F13-S17 PolarHBondContact O-N 3.11Å; N14-S17 PolarHBondContact O-N 2.61Å; S17-S19 PolarHBondContact O-N 2.84Å |
| 18 | Q | 44.8 | Very low | 52.1 | Low | 151 Ų | 151 | 118.5 Ų | 118.5 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -77.1 | 54.8 | 175.3 | -154.2 | -179.9 | -80.6 | 0 | 0 | 111 | N14 H15 F16 | N14-Q18 PolarHBondContact O-N 3.28Å; N14-Q18 VanDerWaalsContact O-N 3.1Å; H15-Q18 PolarHBondContact O-N 2.84Å; F16-Q18 VanDerWaalsContact C-N 3.27Å; F16-Q18 PolarHBondContact O-N 3.28Å | ||
| 19 | S | 43.6 | Very low | 50.9 | Low | 112 Ų | 112 | 117 Ų | 117 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -152.6 | 48.8 | 165.7 | -161.5 | 0 | 0 | 0 | 0 | 110.3 | S17 | S17-S19 PolarHBondContact O-N 2.84Š|
| 20 | S | 43.3 | Very low | 49.8 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -168.6 | 117.7 | 161.9 | -119.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 21 | D | 43.5 | Very low | 49.1 | Very low | 169 Ų | 169 | 116.2 Ų | 116.2 | 90% | 0.904 | 72% | 0.715 | S | S | * | * | trans | 48.9 | 120.5 | 162.6 | -78.6 | -22.5 | 0 | 0 | 0 | 118.7 | ||||
| 22 | G | 41.5 | Very low | 48.2 | Very low | 67 Ų | 67 | 115.6 Ų | 115.6 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | cis | 114.8 | 103.4 | 45.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 23 | R | 37.2 | Very low | 47.4 | Very low | 243 Ų | 243 | 118 Ų | 118 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | trans | 42.5 | 120 | 159.7 | -75.6 | 165.9 | 71.8 | 128.7 | -4.5 | 118.9 | ||||
| 24 | S | 42 | Very low | 46.7 | Very low | 112 Ų | 112 | 117 Ų | 117 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | 165.6 | 111.4 | 104.7 | 50.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 25 | N | 48.9 | Very low | 46.1 | Very low | 164 Ų | 164 | 117.7 Ų | 117.7 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | 70 | 56.2 | 98.6 | -142 | 78.7 | 0 | 0 | 0 | 114.7 | |||||
| 26 | G | 43.4 | Very low | 45.2 | Very low | 78 Ų | 78 | 116 Ų | 116 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -90.7 | 91 | 161 | 0 | 0 | 0 | 0 | 0 | 109.6 | G28 | G26-G28 PolarHBondContact O-N 2.78Å; G26-G28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | G | 41.6 | Very low | 44.3 | Very low | 69 Ų | 69 | 112.4 Ų | 112.4 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -60.2 | 108.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S29 | G27-S29 PolarHBondContact O-N 3.48Š| ||
| 28 | G | 43.5 | Very low | 43.8 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -75 | 76.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G26 S30 | G26-G28 PolarHBondContact O-N 2.78Å; G26-G28 VanDerWaalsContact O-N 3.1Å; G28-S30 PolarHBondContact O-N 2.8Å | ||
| 29 | S | 46.8 | Very low | 43.6 | Very low | 116 Ų | 116 | 112.3 Ų | 112.3 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -75.1 | 68.8 | 166.7 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | G27 S31 | G27-S29 PolarHBondContact O-N 3.48Å; S29-S31 VanDerWaalsContact C-N 3.28Å; S29-S31 PolarHBondContact O-N 3.15Å; S29-S31 VanDerWaalsContact O-N 3.16Å | ||
| 30 | S | 49.3 | Very low | 43.4 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -83.2 | 86.9 | 163.3 | 66.2 | 0 | 0 | 0 | 0 | 107.2 | G28 G32 | G28-S30 PolarHBondContact O-N 2.8Å; S30-G32 VanDerWaalsContact C-N 3.29Å; S30-G32 PolarHBondContact O-N 3.41Å | ||
| 31 | S | 49 | Very low | 43.4 | Very low | 82 Ų | 82 | 113.4 Ų | 113.4 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | trans | -53.9 | 100.4 | 161.4 | -163.9 | 0 | 0 | 0 | 0 | 107.1 | S29 D33 | S29-S31 VanDerWaalsContact C-N 3.28Å; S29-S31 PolarHBondContact O-N 3.15Å; S29-S31 VanDerWaalsContact O-N 3.16Å; S31-D33 WeakPolarHBondContact CB-OD2 3.24Å; S31-D33 PolarHBondContact O-N 3.38Å; S31-D33 VanDerWaalsContact OG-CG 3.28Å; S31-D33 PolarHBondContact OG-OD2 3.05Å | ||
| 32 | G | 47.2 | Very low | 43.4 | Very low | 67 Ų | 67 | 112.6 Ų | 112.6 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -75.5 | 64 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S30 S34 | S30-G32 VanDerWaalsContact C-N 3.29Å; S30-G32 PolarHBondContact O-N 3.41Å; G32-S34 PolarHBondContact O-N 2.71Å | ||
| 33 | D | 47.3 | Very low | 43.4 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | -68.1 | 82.6 | 164.9 | -73.9 | -55.2 | 0 | 0 | 0 | 106.9 | S31 V35 | S31-D33 WeakPolarHBondContact CB-OD2 3.24Å; S31-D33 PolarHBondContact O-N 3.38Å; S31-D33 VanDerWaalsContact OG-CG 3.28Å; S31-D33 PolarHBondContact OG-OD2 3.05Å; D33-V35 HydrophobicContact CB-CG2 4.46Å; D33-V35 PolarHBondContact O-N 3.01Å | ||
| 34 | S | 45.4 | Very low | 43.7 | Very low | 114 Ų | 114 | 111.1 Ų | 111.1 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -70.4 | 62.8 | 164.7 | -61.4 | 0 | 0 | 0 | 0 | 108.3 | G32 S36 | G32-S34 PolarHBondContact O-N 2.71Å; S34-S36 PolarHBondContact O-N 2.89Å | ||
| 35 | V | 47.4 | Very low | 43.9 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | trans | -81.6 | 78.5 | 166.8 | 175 | 0 | 0 | 0 | 0 | 106.7 | D33 T37 | D33-V35 HydrophobicContact CB-CG2 4.46Å; D33-V35 PolarHBondContact O-N 3.01Å; V35-T37 PolarHBondContact O-N 2.96Å | ||
| 36 | S | 40.3 | Very low | 43.4 | Very low | 109 Ų | 109 | 107.8 Ų | 107.8 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -77.3 | 96.3 | 163.7 | 163.9 | 0 | 0 | 0 | 0 | 108.2 | S34 | S34-S36 PolarHBondContact O-N 2.89Š| ||
| 37 | T | 35.5 | Very low | 43.4 | Very low | 105 Ų | 105 | 110.6 Ų | 110.6 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | trans | -152 | 105.7 | 155 | 47.7 | 0 | 0 | 0 | 0 | 111.1 | V35 | V35-T37 PolarHBondContact O-N 2.96Š| ||
| 38 | T | 37.6 | Very low | 43.5 | Very low | 121 Ų | 121 | 112.2 Ų | 112.2 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 62.1 | 104.5 | 136.5 | 60.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 39 | S | 40.4 | Very low | 43.7 | Very low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 44 | 112.8 | 118.2 | -40.7 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 40 | D | 41 | Very low | 43.7 | Very low | 163 Ų | 163 | 112.6 Ų | 112.6 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | 166.7 | 121.4 | 106.1 | -84.1 | -39.2 | 0 | 0 | 0 | 111.7 | |||||
| 41 | G | 43 | Very low | 43.8 | Very low | 77 Ų | 77 | 111.5 Ų | 111.5 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | 92 | 37.7 | 127.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 42 | L | 43.5 | Very low | 44.1 | Very low | 151 Ų | 151 | 110.6 Ų | 110.6 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -129.9 | 84.5 | 157 | -99.4 | 166.1 | 0 | 0 | 0 | 111.6 | T44 | L42-T44 HydrophobicContact CD2-CG2 3.81Å; L42-T44 PolarHBondContact O-N 2.75Å | ||
| 43 | L | 41.5 | Very low | 44.3 | Very low | 173 Ų | 173 | 109.5 Ų | 109.5 | 91% | 0.906 | 70% | 0.695 | S | S | * | * | trans | -62.8 | 71.2 | 156.5 | -68.6 | 169.2 | 0 | 0 | 0 | 109.2 | ||||
| 44 | T | 43 | Very low | 44.5 | Very low | 107 Ų | 107 | 108 Ų | 108 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | trans | -92.9 | 92.3 | 156.8 | 48.6 | 0 | 0 | 0 | 0 | 106.1 | L42 G46 | L42-T44 HydrophobicContact CD2-CG2 3.81Å; L42-T44 PolarHBondContact O-N 2.75Å; T44-G46 PolarHBondContact O-N 3.48Å | ||
| 45 | T | 45.7 | Very low | 45 | Very low | 136 Ų | 136 | 106.3 Ų | 106.3 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | trans | -38.6 | 110.6 | 172.4 | 45.7 | 0 | 0 | 0 | 0 | 110.1 | T47 | T45-T47 PolarHBondContact O-N 3.01Š| ||
| 46 | G | 40.1 | Very low | 45.3 | Very low | 69 Ų | 69 | 105 Ų | 105 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | -60.4 | 127.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T44 S48 | T44-G46 PolarHBondContact O-N 3.48Å; G46-S48 VanDerWaalsContact C-N 3.25Å | ||
| 47 | T | 43 | Very low | 46.1 | Very low | 137 Ų | 137 | 104.2 Ų | 104.2 | 84% | 0.84 | 65% | 0.654 | S | S | * | * | trans | -89.8 | 80.6 | 131 | 56 | 0 | 0 | 0 | 0 | 105.9 | T45 P49 | T45-T47 PolarHBondContact O-N 3.01Å; T47-P49 VanDerWaalsContact O-N 3.12Å | ||
| 48 | S | 43.7 | Very low | 47.2 | Very low | 103 Ų | 103 | 100.8 Ų | 100.8 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | trans | -49.2 | 119.7 | 167.2 | -179.5 | 0 | 0 | 0 | 0 | 106.7 | G46 N50 | G46-S48 VanDerWaalsContact C-N 3.25Å; S48-N50 PolarHBondContact O-N 2.76Å | ||
| 49 | P | 46.6 | Very low | 48.3 | Very low | 93 Ų | 93 | 99.3 Ų | 99.3 | 60% | 0.604 | 63% | 0.627 | S | S | * | * | trans | -60.5 | 120.4 | 179 | 26.5 | -32.7 | 0 | 0 | 0 | 105.6 | T47 T51 | T47-P49 VanDerWaalsContact O-N 3.12Å; P49-T51 HydrophobicContact CB-CG2 3.94Å; P49-T51 HydrophobicContact CG-CG2 4.05Å; P49-T51 PolarHBondContact O-N 2.65Å; P49-T51 PolarHBondContact O-OG1 2.77Å | ||
| 50 | N | 48.3 | Very low | 49.2 | Very low | 106 Ų | 106 | 98.9 Ų | 98.9 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | trans | -64.7 | 64.7 | 174 | -172.9 | 41.9 | 0 | 0 | 0 | 108.8 | S48 S52 S53 | S48-N50 PolarHBondContact O-N 2.76Å; N50-S52 PolarHBondContact O-N 3.06Å; N50-S52 PolarHBondContact OD1-OG 3.33Å; N50-S52 VanDerWaalsContact OD1-OG 3.05Å; N50-S53 WeakPolarHBondContact ND2-CB 3.24Å; N50-S53 PolarHBondContact ND2-OG 3.37Å; N50-S53 PolarHBondContact O-N 2.83Å; N50-S53 PolarHBondContact O-OG 2.78Å | ||
| 51 | T | 50.5 | Low | 50.3 | Low | 88 Ų | 88 | 95.2 Ų | 95.2 | 54% | 0.54 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73.8 | -7.7 | 178.9 | 49 | 0 | 0 | 0 | 0 | 111.4 | P49 T54 S55 | P49-T51 HydrophobicContact CB-CG2 3.94Å; P49-T51 HydrophobicContact CG-CG2 4.05Å; P49-T51 PolarHBondContact O-N 2.65Å; P49-T51 PolarHBondContact O-OG1 2.77Å; T51-T54 PolarHBondContact O-OG1 2.68Å; T51-S55 WeakPolarHBondContact O-CB 3.44Å; T51-S55 PolarHBondContact O-N 2.91Å; T51-S55 PolarHBondContact O-OG 3.46Å |
| 52 | S | 56.2 | Low | 51.4 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 44% | 0.441 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.7 | -34.3 | 166.8 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | N50 L56 | N50-S52 PolarHBondContact O-N 3.06Å; N50-S52 PolarHBondContact OD1-OG 3.33Å; N50-S52 VanDerWaalsContact OD1-OG 3.05Å; S52-L56 WeakPolarHBondContact O-CB 3.22Å; S52-L56 WeakPolarHBondContact O-CD1 3.42Å; S52-L56 WeakPolarHBondContact O-CG 3.46Å; S52-L56 PolarHBondContact O-N 2.79Å |
| 53 | S | 49.7 | Very low | 52.2 | Low | 44 Ų | 44 | 90.8 Ų | 90.8 | 31% | 0.308 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.3 | -38.6 | 179.3 | 68.7 | 0 | 0 | 0 | 0 | 112.4 | N50 S55 L56 D57 | N50-S53 WeakPolarHBondContact ND2-CB 3.24Å; N50-S53 PolarHBondContact ND2-OG 3.37Å; N50-S53 PolarHBondContact O-N 2.83Å; N50-S53 PolarHBondContact O-OG 2.78Å; S53-S55 PolarHBondContact O-N 2.88Å; S53-L56 CarbonylContact O-C 3.52Å; S53-L56 PolarHBondContact O-N 3.36Å; S53-D57 WeakPolarHBondContact O-CB 3.31Å; S53-D57 VanDerWaalsContact O-CG 3.23Å; S53-D57 PolarHBondContact O-N 3.42Å; S53-D57 VanDerWaalsContact O-OD2 3.07Å |
| 54 | T | 52.8 | Low | 53.2 | Low | 92 Ų | 92 | 92.6 Ų | 92.6 | 56% | 0.564 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.5 | -37.2 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | T51 D57 G58 | T51-T54 PolarHBondContact O-OG1 2.68Å; T54-D57 PolarHBondContact O-N 3.28Å; T54-G58 PolarHBondContact O-N 2.75Å |
| 55 | S | 54.5 | Low | 54.5 | Low | 79 Ų | 79 | 91.3 Ų | 91.3 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.6 | -39.8 | 175.2 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | T51 S53 G58 L59 | T51-S55 WeakPolarHBondContact O-CB 3.44Å; T51-S55 PolarHBondContact O-N 2.91Å; T51-S55 PolarHBondContact O-OG 3.46Å; S53-S55 PolarHBondContact O-N 2.88Å; S55-G58 PolarHBondContact O-N 3.4Å; S55-L59 WeakPolarHBondContact O-CB 3.43Å; S55-L59 PolarHBondContact O-N 3.43Å |
| 56 | L | 55.4 | Low | 55.5 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.2 | -36.3 | 174.2 | -69.9 | 171.8 | 0 | 0 | 0 | 111.4 | S52 S53 G58 L59 L60 | S52-L56 WeakPolarHBondContact O-CB 3.22Å; S52-L56 WeakPolarHBondContact O-CD1 3.42Å; S52-L56 WeakPolarHBondContact O-CG 3.46Å; S52-L56 PolarHBondContact O-N 2.79Å; S53-L56 CarbonylContact O-C 3.52Å; S53-L56 PolarHBondContact O-N 3.36Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-L59 HydrophobicContact CD2-CD2 4.4Å; L56-L59 CarbonylContact O-C 3.58Å; L56-L59 PolarHBondContact O-N 2.74Å; L56-L60 VanDerWaalsContact O-CB 3.22Å; L56-L60 WeakPolarHBondContact O-CB 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.29Å; L56-L60 PolarHBondContact O-N 2.84Å |
| 57 | D | 57.3 | Low | 56.6 | Low | 92 Ų | 92 | 87.6 Ų | 87.6 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 173.6 | -79.2 | -41.6 | 0 | 0 | 0 | 110.4 | S53 T54 T61 | S53-D57 WeakPolarHBondContact O-CB 3.31Å; S53-D57 VanDerWaalsContact O-CG 3.23Å; S53-D57 PolarHBondContact O-N 3.42Å; S53-D57 VanDerWaalsContact O-OD2 3.07Å; T54-D57 PolarHBondContact O-N 3.28Å; D57-T61 WeakPolarHBondContact O-CB 3.21Å; D57-T61 PolarHBondContact O-N 3.33Å; D57-T61 PolarHBondContact O-OG1 2.76Å |
| 58 | G | 58.4 | Low | 57.8 | Low | 34 Ų | 34 | 84.2 Ų | 84.2 | 35% | 0.351 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T54 S55 L56 T61 T62 | T54-G58 PolarHBondContact O-N 2.75Å; S55-G58 PolarHBondContact O-N 3.4Å; L56-G58 VanDerWaalsContact C-N 3.33Å; G58-T61 PolarHBondContact O-N 3.39Å; G58-T62 VanDerWaalsContact O-CB 3.26Å; G58-T62 WeakPolarHBondContact O-CB 3.26Å; G58-T62 PolarHBondContact O-N 3.36Å; G58-T62 PolarHBondContact O-OG1 2.76Å |
| 59 | L | 59 | Low | 59 | Low | 89 Ų | 89 | 81.6 Ų | 81.6 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 177.4 | -176.2 | 64.8 | 0 | 0 | 0 | 111.4 | S55 L56 T61 T62 E63 | S55-L59 WeakPolarHBondContact O-CB 3.43Å; S55-L59 PolarHBondContact O-N 3.43Å; L56-L59 HydrophobicContact CD2-CD2 4.4Å; L56-L59 CarbonylContact O-C 3.58Å; L56-L59 PolarHBondContact O-N 2.74Å; L59-T61 PolarHBondContact O-N 2.88Å; L59-T62 PolarHBondContact O-N 2.75Å; L59-E63 HydrophobicContact CD1-CG 4.41Å; L59-E63 HydrophobicContact CG-CG 4.43Å; L59-E63 VanDerWaalsContact O-CB 3.28Å; L59-E63 WeakPolarHBondContact O-CB 3.16Å; L59-E63 VanDerWaalsContact O-CG 3.23Å; L59-E63 WeakPolarHBondContact O-CG 3.17Å; L59-E63 PolarHBondContact O-N 3.49Å |
| 60 | L | 61.2 | Low | 59.9 | Low | 90 Ų | 90 | 79.2 Ų | 79.2 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 178.1 | -70.1 | 173.9 | 0 | 0 | 0 | 111.6 | L56 R64 | L56-L60 VanDerWaalsContact O-CB 3.22Å; L56-L60 WeakPolarHBondContact O-CB 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.29Å; L56-L60 PolarHBondContact O-N 2.84Å; L60-R64 VanDerWaalsContact O-CB 3.28Å; L60-R64 WeakPolarHBondContact O-CB 3.06Å; L60-R64 PolarHBondContact O-N 2.64Å |
| 61 | T | 63.8 | Low | 60.7 | Low | 86 Ų | 86 | 79 Ų | 79 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 175.3 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | D57 G58 L59 R64 T65 | D57-T61 WeakPolarHBondContact O-CB 3.21Å; D57-T61 PolarHBondContact O-N 3.33Å; D57-T61 PolarHBondContact O-OG1 2.76Å; G58-T61 PolarHBondContact O-N 3.39Å; L59-T61 PolarHBondContact O-N 2.88Å; T61-R64 PolarHBondContact O-N 3.41Å; T61-T65 PolarHBondContact O-N 3.43Å; T61-T65 PolarHBondContact O-OG1 3.25Å |
| 62 | T | 64.8 | Low | 61.7 | Low | 81 Ų | 81 | 79.1 Ų | 79.1 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.6 | -49.3 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | G58 L59 R64 T65 I66 | G58-T62 VanDerWaalsContact O-CB 3.26Å; G58-T62 WeakPolarHBondContact O-CB 3.26Å; G58-T62 PolarHBondContact O-N 3.36Å; G58-T62 PolarHBondContact O-OG1 2.76Å; L59-T62 PolarHBondContact O-N 2.75Å; T62-R64 VanDerWaalsContact C-N 3.33Å; T62-R64 PolarHBondContact O-N 2.86Å; T62-T65 CarbonylContact O-C 3.58Å; T62-T65 WeakPolarHBondContact O-CA 3.26Å; T62-T65 WeakPolarHBondContact O-CB 3.44Å; T62-T65 PolarHBondContact O-N 3.04Å; T62-I66 HydrophobicContact CG2-CG1 4.37Å; T62-I66 WeakPolarHBondContact O-CG1 3.05Å; T62-I66 PolarHBondContact O-N 3.19Å |
| 63 | E | 60.9 | Low | 62.2 | Low | 54 Ų | 54 | 79.7 Ų | 79.7 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57 | -44.2 | 176.5 | -77.5 | -179.4 | -172.9 | 0 | 0 | 111.8 | F3 L59 T65 I66 V67 | F3-E63 WeakPolarHBondContact CD1-OE2 3.35Å; F3-E63 WeakPolarHBondContact CE1-OE2 3.22Å; L59-E63 HydrophobicContact CD1-CG 4.41Å; L59-E63 HydrophobicContact CG-CG 4.43Å; L59-E63 VanDerWaalsContact O-CB 3.28Å; L59-E63 WeakPolarHBondContact O-CB 3.16Å; L59-E63 VanDerWaalsContact O-CG 3.23Å; L59-E63 WeakPolarHBondContact O-CG 3.17Å; L59-E63 PolarHBondContact O-N 3.49Å; E63-T65 VanDerWaalsContact C-N 3.29Å; E63-T65 PolarHBondContact O-N 2.85Å; E63-I66 PolarHBondContact O-N 3.26Å; E63-V67 WeakPolarHBondContact O-CG2 3.27Å; E63-V67 PolarHBondContact O-N 3.23Å |
| 64 | R | 63.3 | Low | 62.9 | Low | 210 Ų | 210 | 82.9 Ų | 82.9 | 79% | 0.792 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 175.3 | -171.3 | 179.4 | -169.1 | 176.3 | 3.8 | 111.9 | L60 T61 T62 V67 S68 | L60-R64 VanDerWaalsContact O-CB 3.28Å; L60-R64 WeakPolarHBondContact O-CB 3.06Å; L60-R64 PolarHBondContact O-N 2.64Å; T61-R64 PolarHBondContact O-N 3.41Å; T62-R64 VanDerWaalsContact C-N 3.33Å; T62-R64 PolarHBondContact O-N 2.86Å; R64-V67 PolarHBondContact O-N 3.44Å; R64-S68 WeakPolarHBondContact O-CB 3.44Å; R64-S68 PolarHBondContact O-N 3.49Å |
| 65 | T | 68.8 | Low | 63.4 | Low | 80 Ų | 80 | 83.3 Ų | 83.3 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 175.9 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | T61 T62 E63 V67 S68 S69 | T61-T65 PolarHBondContact O-N 3.43Å; T61-T65 PolarHBondContact O-OG1 3.25Å; T62-T65 CarbonylContact O-C 3.58Å; T62-T65 WeakPolarHBondContact O-CA 3.26Å; T62-T65 WeakPolarHBondContact O-CB 3.44Å; T62-T65 PolarHBondContact O-N 3.04Å; E63-T65 VanDerWaalsContact C-N 3.29Å; E63-T65 PolarHBondContact O-N 2.85Å; T65-V67 PolarHBondContact O-N 3.32Å; T65-S68 CarbonylContact O-C 3.59Å; T65-S68 WeakPolarHBondContact O-CB 3.2Å; T65-S68 PolarHBondContact O-N 2.98Å; T65-S69 PolarHBondContact O-N 2.99Å; T65-S69 PolarHBondContact O-OG 2.98Å; T65-S69 VanDerWaalsContact O-OG 3.07Å |
| 66 | I | 67.3 | Low | 63.8 | Low | 70 Ų | 70 | 84.5 Ų | 84.5 | 36% | 0.359 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 176.9 | -61.4 | -56.1 | 0 | 0 | 0 | 111.6 | T62 E63 S68 S69 V70 | T62-I66 HydrophobicContact CG2-CG1 4.37Å; T62-I66 WeakPolarHBondContact O-CG1 3.05Å; T62-I66 PolarHBondContact O-N 3.19Å; E63-I66 PolarHBondContact O-N 3.26Å; I66-S68 VanDerWaalsContact C-N 3.3Å; I66-S68 PolarHBondContact O-N 3.11Å; I66-S69 PolarHBondContact O-N 3.2Å; I66-V70 HydrophobicContact CG2-CG2 4.13Å; I66-V70 WeakPolarHBondContact O-CB 3.49Å; I66-V70 VanDerWaalsContact O-CG2 3.31Å; I66-V70 WeakPolarHBondContact O-CG2 3.2Å; I66-V70 PolarHBondContact O-N 3.09Å |
| 67 | V | 64.2 | Low | 64.1 | Low | 58 Ų | 58 | 85.1 Ų | 85.1 | 35% | 0.352 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | I6 E63 R64 T65 L71 | I6-V67 HydrophobicContact CD1-CG2 3.36Å; I6-V67 HydrophobicContact CG1-CG2 3.91Å; I6-V67 HydrophobicContact CG2-CG2 4.13Å; E63-V67 WeakPolarHBondContact O-CG2 3.27Å; E63-V67 PolarHBondContact O-N 3.23Å; R64-V67 PolarHBondContact O-N 3.44Å; T65-V67 PolarHBondContact O-N 3.32Å; V67-L71 VanDerWaalsContact O-CB 3.28Å; V67-L71 WeakPolarHBondContact O-CB 3.19Å; V67-L71 PolarHBondContact O-N 2.92Å |
| 68 | S | 66.4 | Low | 64.4 | Low | 65 Ų | 65 | 86 Ų | 86 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.8 | -165.9 | 0 | 0 | 0 | 0 | 111.7 | R64 T65 I66 L72 | R64-S68 WeakPolarHBondContact O-CB 3.44Å; R64-S68 PolarHBondContact O-N 3.49Å; T65-S68 CarbonylContact O-C 3.59Å; T65-S68 WeakPolarHBondContact O-CB 3.2Å; T65-S68 PolarHBondContact O-N 2.98Å; I66-S68 VanDerWaalsContact C-N 3.3Å; I66-S68 PolarHBondContact O-N 3.11Å; S68-L72 WeakPolarHBondContact O-CB 3.31Å; S68-L72 WeakPolarHBondContact O-CD1 3.43Å; S68-L72 WeakPolarHBondContact O-CG 3.45Å; S68-L72 PolarHBondContact O-N 2.99Å |
| 69 | S | 70.4 | Confident | 64.4 | Low | 48 Ų | 48 | 89.3 Ų | 89.3 | 34% | 0.336 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -51.3 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | T65 I66 L71 L72 D73 | T65-S69 PolarHBondContact O-N 2.99Å; T65-S69 PolarHBondContact O-OG 2.98Å; T65-S69 VanDerWaalsContact O-OG 3.07Å; I66-S69 PolarHBondContact O-N 3.2Å; S69-L71 VanDerWaalsContact C-N 3.28Å; S69-L71 PolarHBondContact O-N 2.74Å; S69-L72 CarbonylContact O-C 3.59Å; S69-L72 WeakPolarHBondContact O-CA 3.47Å; S69-L72 WeakPolarHBondContact O-CB 3.42Å; S69-L72 PolarHBondContact O-N 3.27Å; S69-L72 VanDerWaalsContact O-N 3.09Å; S69-D73 WeakPolarHBondContact O-CB 3.24Å; S69-D73 PolarHBondContact O-N 3.45Å; S69-D73 VanDerWaalsContact O-OD2 3.11Å |
| 70 | V | 64.7 | Low | 64.5 | Low | 44 Ų | 44 | 88.4 Ų | 88.4 | 27% | 0.267 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 179.3 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | I9 I66 D73 F74 | I9-V70 HydrophobicContact CG2-CG1 4.29Å; I66-V70 HydrophobicContact CG2-CG2 4.13Å; I66-V70 WeakPolarHBondContact O-CB 3.49Å; I66-V70 VanDerWaalsContact O-CG2 3.31Å; I66-V70 WeakPolarHBondContact O-CG2 3.2Å; I66-V70 PolarHBondContact O-N 3.09Å; V70-D73 PolarHBondContact O-N 2.93Å; V70-F74 HydrophobicContact CG1-CD2 3.57Å; V70-F74 HydrophobicContact CG1-CE2 3.27Å; V70-F74 HydrophobicContact CG1-CZ 4.33Å; V70-F74 WeakPolarHBondContact O-CD2 3.46Å; V70-F74 PolarHBondContact O-N 3.31Å |
| 71 | L | 66.2 | Low | 64.5 | Low | 102 Ų | 102 | 87.6 Ų | 87.6 | 53% | 0.534 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.4 | -174.3 | 63.1 | 0 | 0 | 0 | 111.6 | V67 S69 D73 F74 Q75 | V67-L71 VanDerWaalsContact O-CB 3.28Å; V67-L71 WeakPolarHBondContact O-CB 3.19Å; V67-L71 PolarHBondContact O-N 2.92Å; S69-L71 VanDerWaalsContact C-N 3.28Å; S69-L71 PolarHBondContact O-N 2.74Å; L71-D73 VanDerWaalsContact C-N 3.32Å; L71-D73 PolarHBondContact O-N 2.81Å; L71-F74 PolarHBondContact O-N 3.24Å; L71-Q75 WeakPolarHBondContact O-CB 3.5Å; L71-Q75 VanDerWaalsContact O-CG 3.26Å; L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 3.48Å |
| 72 | L | 71.2 | Confident | 64.3 | Low | 90 Ų | 90 | 89 Ų | 89 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 173.5 | -76.8 | 168.4 | 0 | 0 | 0 | 111.3 | S68 S69 Q75 L76 | S68-L72 WeakPolarHBondContact O-CB 3.31Å; S68-L72 WeakPolarHBondContact O-CD1 3.43Å; S68-L72 WeakPolarHBondContact O-CG 3.45Å; S68-L72 PolarHBondContact O-N 2.99Å; S69-L72 CarbonylContact O-C 3.59Å; S69-L72 WeakPolarHBondContact O-CA 3.47Å; S69-L72 WeakPolarHBondContact O-CB 3.42Å; S69-L72 PolarHBondContact O-N 3.27Å; S69-L72 VanDerWaalsContact O-N 3.09Å; L72-Q75 PolarHBondContact O-N 2.82Å; L72-L76 VanDerWaalsContact O-CB 3.31Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 WeakPolarHBondContact O-CG 3.28Å; L72-L76 PolarHBondContact O-N 3.23Å |
| 73 | D | 67.1 | Low | 63.9 | Low | 75 Ų | 75 | 93.6 Ų | 93.6 | 40% | 0.401 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 177.4 | -64.2 | -33.2 | 0 | 0 | 0 | 110.6 | S69 V70 L71 L76 L77 | S69-D73 WeakPolarHBondContact O-CB 3.24Å; S69-D73 PolarHBondContact O-N 3.45Å; S69-D73 VanDerWaalsContact O-OD2 3.11Å; V70-D73 PolarHBondContact O-N 2.93Å; L71-D73 VanDerWaalsContact C-N 3.32Å; L71-D73 PolarHBondContact O-N 2.81Å; D73-L76 PolarHBondContact O-N 2.98Å; D73-L77 VanDerWaalsContact O-CB 3.27Å; D73-L77 WeakPolarHBondContact O-CB 3.49Å; D73-L77 WeakPolarHBondContact O-CG 3.32Å; D73-L77 PolarHBondContact O-N 2.88Å |
| 74 | F | 63.7 | Low | 63.8 | Low | 110 Ų | 110 | 92.2 Ų | 92.2 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 173.2 | -77.7 | -57.3 | 0 | 0 | 0 | 112.5 | V70 L71 L76 L77 D78 | V70-F74 HydrophobicContact CG1-CD2 3.57Å; V70-F74 HydrophobicContact CG1-CE2 3.27Å; V70-F74 HydrophobicContact CG1-CZ 4.33Å; V70-F74 WeakPolarHBondContact O-CD2 3.46Å; V70-F74 PolarHBondContact O-N 3.31Å; L71-F74 PolarHBondContact O-N 3.24Å; F74-L76 VanDerWaalsContact C-N 3.32Å; F74-L77 PolarHBondContact O-N 3.04Å; F74-D78 VanDerWaalsContact O-CB 3.22Å; F74-D78 WeakPolarHBondContact O-CB 3.37Å; F74-D78 PolarHBondContact O-N 3.49Å |
| 75 | Q | 63.4 | Low | 63.6 | Low | 102 Ų | 102 | 86.3 Ų | 86.3 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 174.8 | -72.9 | 178.1 | -95.1 | 0 | 0 | 111.3 | L71 L72 L79 | L71-Q75 WeakPolarHBondContact O-CB 3.5Å; L71-Q75 VanDerWaalsContact O-CG 3.26Å; L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 3.48Å; L72-Q75 PolarHBondContact O-N 2.82Å; Q75-L79 WeakPolarHBondContact O-CB 3.33Å; Q75-L79 PolarHBondContact O-N 3.49Å |
| 76 | L | 61.8 | Low | 63.3 | Low | 103 Ų | 103 | 86.8 Ų | 86.8 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 175 | -73.7 | 174.5 | 0 | 0 | 0 | 111.3 | L72 D73 F74 S80 | L72-L76 VanDerWaalsContact O-CB 3.31Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 WeakPolarHBondContact O-CG 3.28Å; L72-L76 PolarHBondContact O-N 3.23Å; D73-L76 PolarHBondContact O-N 2.98Å; F74-L76 VanDerWaalsContact C-N 3.32Å; L76-S80 WeakPolarHBondContact O-CA 3.36Å; L76-S80 WeakPolarHBondContact O-CB 3.41Å; L76-S80 PolarHBondContact O-N 3.38Å; L76-S80 PolarHBondContact O-OG 3.25Å |
| 77 | L | 63.3 | Low | 62.8 | Low | 105 Ų | 105 | 87.3 Ų | 87.3 | 55% | 0.55 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 175.6 | -76.2 | 169 | 0 | 0 | 0 | 111.8 | D73 F74 S80 S81 | D73-L77 VanDerWaalsContact O-CB 3.27Å; D73-L77 WeakPolarHBondContact O-CB 3.49Å; D73-L77 WeakPolarHBondContact O-CG 3.32Å; D73-L77 PolarHBondContact O-N 2.88Å; F74-L77 PolarHBondContact O-N 3.04Å; L77-S80 PolarHBondContact O-N 2.81Å; L77-S81 WeakPolarHBondContact O-CB 3.34Å; L77-S81 PolarHBondContact O-N 2.98Å; L77-S81 PolarHBondContact O-OG 3.1Å |
| 78 | D | 62.3 | Low | 62.6 | Low | 109 Ų | 109 | 89.5 Ų | 89.5 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.9 | -48.8 | 175.4 | -174.5 | 69.5 | 0 | 0 | 0 | 110.6 | F74 S80 S81 Q82 | F74-D78 VanDerWaalsContact O-CB 3.22Å; F74-D78 WeakPolarHBondContact O-CB 3.37Å; F74-D78 PolarHBondContact O-N 3.49Å; D78-S80 VanDerWaalsContact C-N 3.32Å; D78-S80 PolarHBondContact O-N 3.4Å; D78-S81 PolarHBondContact O-N 2.84Å; D78-Q82 VanDerWaalsContact O-CB 3.31Å; D78-Q82 WeakPolarHBondContact O-CB 3.48Å; D78-Q82 PolarHBondContact O-N 3.39Å |
| 79 | L | 59.8 | Low | 62.2 | Low | 104 Ų | 104 | 90.7 Ų | 90.7 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 172.8 | -104.8 | 63.2 | 0 | 0 | 0 | 112.1 | Q75 R83 | Q75-L79 WeakPolarHBondContact O-CB 3.33Å; Q75-L79 PolarHBondContact O-N 3.49Å; L79-R83 WeakPolarHBondContact O-CB 3.31Å; L79-R83 WeakPolarHBondContact O-CG 3.42Å; L79-R83 PolarHBondContact O-N 2.8Å |
| 80 | S | 61.1 | Low | 61.7 | Low | 71 Ų | 71 | 91.9 Ų | 91.9 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.7 | -31 | 178.6 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | L76 L77 D78 G84 | L76-S80 WeakPolarHBondContact O-CA 3.36Å; L76-S80 WeakPolarHBondContact O-CB 3.41Å; L76-S80 PolarHBondContact O-N 3.38Å; L76-S80 PolarHBondContact O-OG 3.25Å; L77-S80 PolarHBondContact O-N 2.81Å; D78-S80 VanDerWaalsContact C-N 3.32Å; D78-S80 PolarHBondContact O-N 3.4Å; S80-G84 VanDerWaalsContact O-CA 3.26Å; S80-G84 WeakPolarHBondContact O-CA 3.46Å; S80-G84 PolarHBondContact O-N 2.84Å |
| 81 | S | 60 | Low | 61.6 | Low | 73 Ų | 73 | 95 Ų | 95 | 51% | 0.51 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.5 | -41.8 | 173 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | L77 D78 G84 T85 | L77-S81 WeakPolarHBondContact O-CB 3.34Å; L77-S81 PolarHBondContact O-N 2.98Å; L77-S81 PolarHBondContact O-OG 3.1Å; D78-S81 PolarHBondContact O-N 2.84Å; S81-G84 PolarHBondContact O-N 3.41Å; S81-T85 WeakPolarHBondContact O-CB 3.47Å; S81-T85 PolarHBondContact O-N 3.14Å; S81-T85 PolarHBondContact O-OG1 3.4Å |
| 82 | Q | 59.5 | Low | 61.1 | Low | 115 Ų | 115 | 94 Ų | 94 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 173.3 | -173.2 | 65.3 | 41.1 | 0 | 0 | 111 | D78 T85 I86 | D78-Q82 VanDerWaalsContact O-CB 3.31Å; D78-Q82 WeakPolarHBondContact O-CB 3.48Å; D78-Q82 PolarHBondContact O-N 3.39Å; Q82-T85 PolarHBondContact O-N 3.46Å; Q82-I86 HydrophobicContact CG-CD1 4.22Å; Q82-I86 WeakPolarHBondContact O-CD1 3.47Å; Q82-I86 WeakPolarHBondContact O-CG1 3.27Å; Q82-I86 PolarHBondContact O-N 3.42Å |
| 83 | R | 57.4 | Low | 60.6 | Low | 178 Ų | 178 | 92.5 Ų | 92.5 | 67% | 0.672 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.5 | -33.8 | 176.5 | -71.3 | -175.6 | 86.7 | -147 | 3.2 | 112 | L79 I86 T87 | L79-R83 WeakPolarHBondContact O-CB 3.31Å; L79-R83 WeakPolarHBondContact O-CG 3.42Å; L79-R83 PolarHBondContact O-N 2.8Å; R83-I86 PolarHBondContact O-N 3.47Å; R83-T87 VanDerWaalsContact O-CB 3.28Å; R83-T87 WeakPolarHBondContact O-CB 3.41Å; R83-T87 PolarHBondContact O-N 2.84Å; R83-T87 PolarHBondContact O-OG1 3.42Å |
| 84 | G | 58.6 | Low | 60.3 | Low | 25 Ų | 25 | 92.5 Ų | 92.5 | 26% | 0.258 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -50.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S80 S81 I86 T87 D88 | S80-G84 VanDerWaalsContact O-CA 3.26Å; S80-G84 WeakPolarHBondContact O-CA 3.46Å; S80-G84 PolarHBondContact O-N 2.84Å; S81-G84 PolarHBondContact O-N 3.41Å; G84-I86 VanDerWaalsContact C-N 3.31Å; G84-I86 PolarHBondContact O-N 3.41Å; G84-T87 CarbonylContact O-C 3.57Å; G84-T87 PolarHBondContact O-N 3.07Å; G84-D88 WeakPolarHBondContact O-CB 3.44Å; G84-D88 VanDerWaalsContact O-CG 3.29Å; G84-D88 PolarHBondContact O-N 2.99Å |
| 85 | T | 58.5 | Low | 60.1 | Low | 86 Ų | 86 | 91.3 Ų | 91.3 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.6 | -45 | 173.7 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | S81 Q82 T89 | S81-T85 WeakPolarHBondContact O-CB 3.47Å; S81-T85 PolarHBondContact O-N 3.14Å; S81-T85 PolarHBondContact O-OG1 3.4Å; Q82-T85 PolarHBondContact O-N 3.46Å; T85-T89 WeakPolarHBondContact O-CB 3.36Å; T85-T89 PolarHBondContact O-N 3.05Å; T85-T89 PolarHBondContact O-OG1 2.84Å |
| 86 | I | 61.6 | Low | 60.1 | Low | 89 Ų | 89 | 91.1 Ų | 91.1 | 46% | 0.456 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.4 | -66.3 | 162.7 | 0 | 0 | 0 | 110.7 | Q82 R83 G84 T89 V90 | Q82-I86 HydrophobicContact CG-CD1 4.22Å; Q82-I86 WeakPolarHBondContact O-CD1 3.47Å; Q82-I86 WeakPolarHBondContact O-CG1 3.27Å; Q82-I86 PolarHBondContact O-N 3.42Å; R83-I86 PolarHBondContact O-N 3.47Å; G84-I86 VanDerWaalsContact C-N 3.31Å; G84-I86 PolarHBondContact O-N 3.41Å; I86-T89 PolarHBondContact O-N 3.36Å; I86-V90 HydrophobicContact CG2-CG2 4.24Å; I86-V90 WeakPolarHBondContact O-CB 3.48Å; I86-V90 VanDerWaalsContact O-CG2 3.23Å; I86-V90 WeakPolarHBondContact O-CG2 3.23Å; I86-V90 PolarHBondContact O-N 2.79Å |
| 87 | T | 57.2 | Low | 60 | Low | 82 Ų | 82 | 90.1 Ų | 90.1 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | -178.3 | -54 | 0 | 0 | 0 | 0 | 111.2 | R83 G84 T89 V90 L91 | R83-T87 VanDerWaalsContact O-CB 3.28Å; R83-T87 WeakPolarHBondContact O-CB 3.41Å; R83-T87 PolarHBondContact O-N 2.84Å; R83-T87 PolarHBondContact O-OG1 3.42Å; G84-T87 CarbonylContact O-C 3.57Å; G84-T87 PolarHBondContact O-N 3.07Å; T87-T89 VanDerWaalsContact C-N 3.3Å; T87-T89 PolarHBondContact O-N 3.48Å; T87-V90 PolarHBondContact O-N 3.5Å; T87-L91 VanDerWaalsContact O-CB 3.29Å; T87-L91 WeakPolarHBondContact O-CB 3.28Å; T87-L91 PolarHBondContact O-N 2.82Å |
| 88 | D | 59.8 | Low | 59.9 | Low | 104 Ų | 104 | 90.9 Ų | 90.9 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -40.3 | 174.9 | -71.2 | -22.7 | 0 | 0 | 0 | 110.9 | G84 T92 | G84-D88 WeakPolarHBondContact O-CB 3.44Å; G84-D88 VanDerWaalsContact O-CG 3.29Å; G84-D88 PolarHBondContact O-N 2.99Å; D88-T92 VanDerWaalsContact O-CB 3.24Å; D88-T92 WeakPolarHBondContact O-CB 3.28Å; D88-T92 PolarHBondContact O-N 2.83Å; D88-T92 PolarHBondContact O-OG1 2.74Å |
| 89 | T | 57.9 | Low | 59.9 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 55% | 0.546 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 176.2 | -43.7 | 0 | 0 | 0 | 0 | 111.2 | T85 I86 T87 S93 | T85-T89 WeakPolarHBondContact O-CB 3.36Å; T85-T89 PolarHBondContact O-N 3.05Å; T85-T89 PolarHBondContact O-OG1 2.84Å; I86-T89 PolarHBondContact O-N 3.36Å; T87-T89 VanDerWaalsContact C-N 3.3Å; T87-T89 PolarHBondContact O-N 3.48Å; T89-S93 WeakPolarHBondContact O-CB 3.32Å; T89-S93 PolarHBondContact O-N 3.19Å |
| 90 | V | 60.7 | Low | 59.9 | Low | 74 Ų | 74 | 87.6 Ų | 87.6 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 177.5 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | I86 T87 T92 S93 D94 | I86-V90 HydrophobicContact CG2-CG2 4.24Å; I86-V90 WeakPolarHBondContact O-CB 3.48Å; I86-V90 VanDerWaalsContact O-CG2 3.23Å; I86-V90 WeakPolarHBondContact O-CG2 3.23Å; I86-V90 PolarHBondContact O-N 2.79Å; T87-V90 PolarHBondContact O-N 3.5Å; V90-T92 VanDerWaalsContact C-N 3.34Å; V90-T92 PolarHBondContact O-N 3.48Å; V90-S93 CarbonylContact O-C 3.6Å; V90-S93 WeakPolarHBondContact O-CB 3.11Å; V90-S93 PolarHBondContact O-N 3.31Å; V90-S93 VanDerWaalsContact O-N 3.15Å; V90-D94 WeakPolarHBondContact O-CB 3.36Å; V90-D94 VanDerWaalsContact O-CG 3.29Å; V90-D94 PolarHBondContact O-N 2.65Å |
| 91 | L | 61.4 | Low | 59.8 | Low | 108 Ų | 108 | 90.5 Ų | 90.5 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -39.2 | 179.3 | -175 | 63.4 | 0 | 0 | 0 | 112.2 | T87 D94 T95 | T87-L91 VanDerWaalsContact O-CB 3.29Å; T87-L91 WeakPolarHBondContact O-CB 3.28Å; T87-L91 PolarHBondContact O-N 2.82Å; L91-D94 PolarHBondContact O-N 3.34Å; L91-T95 PolarHBondContact O-N 2.87Å; L91-T95 PolarHBondContact O-OG1 2.71Å |
| 92 | T | 57.7 | Low | 59.9 | Low | 83 Ų | 83 | 91.4 Ų | 91.4 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 174.3 | -55.9 | 0 | 0 | 0 | 0 | 111 | D88 V90 T95 N96 | D88-T92 VanDerWaalsContact O-CB 3.24Å; D88-T92 WeakPolarHBondContact O-CB 3.28Å; D88-T92 PolarHBondContact O-N 2.83Å; D88-T92 PolarHBondContact O-OG1 2.74Å; V90-T92 VanDerWaalsContact C-N 3.34Å; V90-T92 PolarHBondContact O-N 3.48Å; T92-T95 PolarHBondContact O-N 3.48Å; T92-N96 PolarHBondContact O-N 2.72Å; T92-N96 VanDerWaalsContact O-N 3.07Å; T92-N96 PolarHBondContact O-ND2 3.43Å; T92-N96 VanDerWaalsContact O-ND2 3.11Å |
| 93 | S | 60.3 | Low | 59.8 | Low | 57 Ų | 57 | 90 Ų | 90 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.6 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | T89 V90 T95 N96 L97 | T89-S93 WeakPolarHBondContact O-CB 3.32Å; T89-S93 PolarHBondContact O-N 3.19Å; V90-S93 CarbonylContact O-C 3.6Å; V90-S93 WeakPolarHBondContact O-CB 3.11Å; V90-S93 PolarHBondContact O-N 3.31Å; V90-S93 VanDerWaalsContact O-N 3.15Å; S93-T95 VanDerWaalsContact C-N 3.34Å; S93-T95 PolarHBondContact O-N 3.23Å; S93-N96 WeakPolarHBondContact O-CB 3.12Å; S93-N96 PolarHBondContact O-N 2.69Å; S93-L97 VanDerWaalsContact O-CG 3.28Å; S93-L97 WeakPolarHBondContact O-CG 3.22Å; S93-L97 PolarHBondContact O-N 2.84Å |
| 94 | D | 60 | Low | 59.9 | Low | 75 Ų | 75 | 86.4 Ų | 86.4 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 177.9 | -72.4 | -21.8 | 0 | 0 | 0 | 111.4 | V90 L91 N96 L97 L98 | V90-D94 WeakPolarHBondContact O-CB 3.36Å; V90-D94 VanDerWaalsContact O-CG 3.29Å; V90-D94 PolarHBondContact O-N 2.65Å; L91-D94 PolarHBondContact O-N 3.34Å; D94-N96 VanDerWaalsContact C-N 3.34Å; D94-N96 PolarHBondContact O-N 2.89Å; D94-L97 PolarHBondContact O-N 3.01Å; D94-L98 WeakPolarHBondContact O-CB 3.26Å; D94-L98 VanDerWaalsContact O-CG 3.24Å; D94-L98 WeakPolarHBondContact O-CG 3.33Å; D94-L98 PolarHBondContact O-N 3.05Å |
| 95 | T | 59.3 | Low | 59.9 | Low | 85 Ų | 85 | 94.1 Ų | 94.1 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 175.1 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | L91 T92 S93 L98 S99 | L91-T95 PolarHBondContact O-N 2.87Å; L91-T95 PolarHBondContact O-OG1 2.71Å; T92-T95 PolarHBondContact O-N 3.48Å; S93-T95 VanDerWaalsContact C-N 3.34Å; S93-T95 PolarHBondContact O-N 3.23Å; T95-L98 PolarHBondContact O-N 3.05Å; T95-S99 PolarHBondContact O-N 3.29Å |
| 96 | N | 62.9 | Low | 59.8 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.8 | -73.1 | -40.2 | 0 | 0 | 0 | 111.8 | T92 S93 D94 S99 S100 | T92-N96 PolarHBondContact O-N 2.72Å; T92-N96 VanDerWaalsContact O-N 3.07Å; T92-N96 PolarHBondContact O-ND2 3.43Å; T92-N96 VanDerWaalsContact O-ND2 3.11Å; S93-N96 WeakPolarHBondContact O-CB 3.12Å; S93-N96 PolarHBondContact O-N 2.69Å; D94-N96 VanDerWaalsContact C-N 3.34Å; D94-N96 PolarHBondContact O-N 2.89Å; N96-S99 PolarHBondContact O-N 3.17Å; N96-S99 PolarHBondContact O-OG 3.36Å; N96-S100 PolarHBondContact O-N 2.79Å; N96-S100 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 61.1 | Low | 59.5 | Low | 81 Ų | 81 | 101.5 Ų | 101.5 | 42% | 0.424 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -47 | 175.8 | -70.5 | 172.3 | 0 | 0 | 0 | 111.1 | S93 D94 S99 S100 F101 | S93-L97 VanDerWaalsContact O-CG 3.28Å; S93-L97 WeakPolarHBondContact O-CG 3.22Å; S93-L97 PolarHBondContact O-N 2.84Å; D94-L97 PolarHBondContact O-N 3.01Å; L97-S99 VanDerWaalsContact C-N 3.28Å; L97-S99 PolarHBondContact O-N 3.2Å; L97-S100 WeakPolarHBondContact O-CA 3.25Å; L97-S100 WeakPolarHBondContact O-CB 3.44Å; L97-S100 PolarHBondContact O-N 2.66Å; L97-S100 PolarHBondContact O-OG 3.02Å; L97-F101 HydrophobicContact CB-CE2 4.23Å; L97-F101 WeakPolarHBondContact O-CD2 3.43Å; L97-F101 PolarHBondContact O-N 3.47Å |
| 98 | L | 60.5 | Low | 59.4 | Low | 121 Ų | 121 | 103.6 Ų | 103.6 | 63% | 0.634 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.8 | -37.4 | 176.8 | -69.8 | 173.7 | 0 | 0 | 0 | 112.5 | D94 T95 S100 F101 S102 | D94-L98 WeakPolarHBondContact O-CB 3.26Å; D94-L98 VanDerWaalsContact O-CG 3.24Å; D94-L98 WeakPolarHBondContact O-CG 3.33Å; D94-L98 PolarHBondContact O-N 3.05Å; T95-L98 PolarHBondContact O-N 3.05Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.1Å; L98-F101 PolarHBondContact O-N 3.16Å; L98-S102 PolarHBondContact O-N 2.98Å; L98-S102 PolarHBondContact O-OG 2.89Å; L98-S102 VanDerWaalsContact O-OG 3.06Å |
| 99 | S | 62 | Low | 59.2 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 53% | 0.531 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65 | -37.3 | 173.2 | 85.1 | 0 | 0 | 0 | 0 | 112 | T95 N96 L97 F101 S102 | T95-S99 PolarHBondContact O-N 3.29Å; N96-S99 PolarHBondContact O-N 3.17Å; N96-S99 PolarHBondContact O-OG 3.36Å; L97-S99 VanDerWaalsContact C-N 3.28Å; L97-S99 PolarHBondContact O-N 3.2Å; S99-F101 PolarHBondContact O-N 3.33Å; S99-S102 WeakPolarHBondContact O-CB 3.19Å; S99-S102 PolarHBondContact O-N 3.4Å |
| 100 | S | 59.4 | Low | 59.2 | Low | 69 Ų | 69 | 107 Ų | 107 | 48% | 0.483 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72.3 | -26.5 | 179 | 80.8 | 0 | 0 | 0 | 0 | 113.6 | N96 L97 L98 S102 P103 | N96-S100 PolarHBondContact O-N 2.79Å; N96-S100 VanDerWaalsContact O-N 3.08Å; L97-S100 WeakPolarHBondContact O-CA 3.25Å; L97-S100 WeakPolarHBondContact O-CB 3.44Å; L97-S100 PolarHBondContact O-N 2.66Å; L97-S100 PolarHBondContact O-OG 3.02Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.1Å; S100-S102 VanDerWaalsContact C-N 3.34Å; S100-P103 VanDerWaalsContact O-CD 3.28Å; S100-P103 WeakPolarHBondContact O-CD 3.05Å |
| 101 | F | 60.9 | Low | 59.1 | Low | 132 Ų | 132 | 107.2 Ų | 107.2 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -79.2 | -16.6 | 175.2 | -73.4 | -67.1 | 0 | 0 | 0 | 113.4 | L97 L98 S99 V104 | L97-F101 HydrophobicContact CB-CE2 4.23Å; L97-F101 WeakPolarHBondContact O-CD2 3.43Å; L97-F101 PolarHBondContact O-N 3.47Å; L98-F101 PolarHBondContact O-N 3.16Å; S99-F101 PolarHBondContact O-N 3.33Å; F101-V104 PolarHBondContact O-N 3.39Å |
| 102 | S | 60.7 | Low | 59 | Low | 91 Ų | 91 | 109 Ų | 109 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -27.6 | -175.5 | -67.1 | 0 | 0 | 0 | 0 | 115.3 | L98 S99 S100 | L98-S102 PolarHBondContact O-N 2.98Å; L98-S102 PolarHBondContact O-OG 2.89Å; L98-S102 VanDerWaalsContact O-OG 3.06Å; S99-S102 WeakPolarHBondContact O-CB 3.19Å; S99-S102 PolarHBondContact O-N 3.4Å; S100-S102 VanDerWaalsContact C-N 3.34Å |
| 103 | P | 57.3 | Low | 59.1 | Low | 86 Ų | 86 | 113.5 Ų | 113.5 | 56% | 0.558 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -12.9 | 175.2 | -14.6 | 31.3 | 0 | 0 | 0 | 115.6 | S100 K106 | S100-P103 VanDerWaalsContact O-CD 3.28Å; S100-P103 WeakPolarHBondContact O-CD 3.05Å; P103-K106 PolarHBondContact O-N 2.98Å |
| 104 | V | 60.6 | Low | 59.2 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 62% | 0.618 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -73.4 | -34.7 | -175.8 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | F101 K106 K107 | F101-V104 PolarHBondContact O-N 3.39Å; V104-K106 PolarHBondContact O-N 2.97Å; V104-K107 PolarHBondContact O-N 2.84Å |
| 105 | F | 58.3 | Low | 59.2 | Low | 188 Ų | 188 | 117.7 Ų | 117.7 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -69.7 | -12.5 | 175.7 | -97.5 | -83.6 | 0 | 0 | 0 | 114.1 | ||
| 106 | K | 55.8 | Low | 59 | Low | 164 Ų | 164 | 123 Ų | 123 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -84.3 | -14.3 | 178.7 | -151.3 | 169.2 | -174.1 | -176.6 | 0 | 113.3 | P103 V104 I110 | P103-K106 PolarHBondContact O-N 2.98Å; V104-K106 PolarHBondContact O-N 2.97Å; K106-I110 WeakPolarHBondContact O-CG1 3.47Å |
| 107 | K | 55.4 | Low | 58.6 | Low | 166 Ų | 166 | 126.2 Ų | 126.2 | 72% | 0.722 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78 | -25.8 | -178.3 | -81.4 | -163.8 | 176.3 | 174.6 | 0 | 114.8 | V104 K109 | V104-K107 PolarHBondContact O-N 2.84Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 2.95Å |
| 108 | E | 56.1 | Low | 58.4 | Low | 125 Ų | 125 | 128.5 Ų | 128.5 | 58% | 0.584 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.3 | -30.8 | -179.2 | -159.9 | -174.4 | 142.6 | 0 | 0 | 112.2 | K112 | E108-K112 IonicContact OE1-NZ 3.38Å; E108-K112 PolarHBondContact OE1-NZ 3.36Å |
| 109 | K | 54.2 | Low | 58.3 | Low | 158 Ų | 158 | 128.9 Ų | 128.9 | 69% | 0.687 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.9 | -30.1 | -177.5 | -149.6 | 166 | -172.4 | 174.8 | 0 | 113 | K107 Y113 | K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 2.95Å; K109-Y113 WeakPolarHBondContact O-CD2 3.48Å |
| 110 | I | 59.3 | Low | 58.1 | Low | 106 Ų | 106 | 131.8 Ų | 131.8 | 54% | 0.544 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -77.6 | -33.1 | 178.8 | 7.4 | 171 | 0 | 0 | 0 | 112.4 | K106 K112 Y113 V114 | K106-I110 WeakPolarHBondContact O-CG1 3.47Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 2.84Å; I110-Y113 PolarHBondContact O-N 2.61Å; I110-V114 PolarHBondContact O-N 2.8Å |
| 111 | S | 57.9 | Low | 58.1 | Low | 80 Ų | 80 | 135.5 Ų | 135.5 | 56% | 0.559 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -65.9 | -30.6 | 179.7 | -168.1 | 0 | 0 | 0 | 0 | 113.1 | Y113 | S111-Y113 VanDerWaalsContact C-N 3.33Å |
| 112 | K | 59.3 | Low | 57.9 | Low | 146 Ų | 146 | 135.8 Ų | 135.8 | 64% | 0.635 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -74.5 | -21.5 | 178.1 | -69.6 | -173.8 | -174.6 | 167.7 | 0 | 113.6 | E108 I110 | E108-K112 IonicContact OE1-NZ 3.38Å; E108-K112 PolarHBondContact OE1-NZ 3.36Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 2.84Å |
| 113 | Y | 59.4 | Low | 57.7 | Low | 177 Ų | 177 | 138.7 Ų | 138.7 | 69% | 0.694 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -88.7 | -30.3 | 178 | -82.9 | -89.3 | 0 | 0 | 0 | 113.1 | K109 I110 S111 | K109-Y113 WeakPolarHBondContact O-CD2 3.48Å; I110-Y113 PolarHBondContact O-N 2.61Å; S111-Y113 VanDerWaalsContact C-N 3.33Å |
| 114 | V | 63.3 | Low | 57.7 | Low | 113 Ų | 113 | 142.5 Ų | 142.5 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -73.8 | -32.6 | 179.9 | 171.3 | 0 | 0 | 0 | 0 | 112.6 | I110 K116 | I110-V114 PolarHBondContact O-N 2.8Å; V114-K116 VanDerWaalsContact C-N 3.3Å; V114-K116 PolarHBondContact O-N 3.03Å |
| 115 | S | 59.5 | Low | 57.5 | Low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 6.4 | 179.3 | -77.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 116 | K | 56.2 | Low | 57.4 | Low | 197 Ų | 197 | 142.1 Ų | 142.1 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 9.5 | 175.6 | -149.1 | 171.6 | -177.4 | -177.5 | 0 | 113.9 | V114 | V114-K116 VanDerWaalsContact C-N 3.3Å; V114-K116 PolarHBondContact O-N 3.03Å |
| 117 | S | 53 | Low | 57.6 | Low | 167 Ų | 167 | 140.1 Ų | 140.1 | 100% | 1.168 | 72% | 0.716 | S | S | * | * | trans | -105 | 0 | 163.6 | -168.4 | 0 | 0 | 0 | 0 | 110 |
Retrieved 117 of 117 residues in 20 ms
(Link to these results)