| 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 | T | 51.5 | Low | 60.5 | Low | 183 Ų | 183 | 108.2 Ų | 108.2 | 100% | 1.123 | 58% | 0.578 | S | S | * | * | 0 | 27.8 | 0 | -8.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 2 | H | 58.7 | Low | 60.8 | Low | 149 Ų | 149 | 105.1 Ų | 105.1 | 69% | 0.69 | 57% | 0.571 | S | S | * | * | trans | -98.3 | -24.7 | -171 | -168.4 | -79.7 | 0 | 0 | 0 | 113.8 | H4 K5 | H2-H4 PolarHBondContact O-N 3.27Å; H2-K5 PolarHBondContact O-N 3.33Å | ||
| 3 | S | 59.2 | Low | 61.1 | Low | 100 Ų | 100 | 106.6 Ų | 106.6 | 70% | 0.699 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.5 | -34.2 | -174.8 | -159.1 | 0 | 0 | 0 | 0 | 113.9 | F7 | S3-F7 PolarHBondContact O-N 2.97Å |
| 4 | H | 59 | Low | 61.4 | Low | 163 Ų | 163 | 107.7 Ų | 107.7 | 76% | 0.755 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.9 | -33.3 | -179.1 | -79 | -88.2 | 0 | 0 | 0 | 112.9 | H2 A8 | H2-H4 PolarHBondContact O-N 3.27Å; H4-A8 PolarHBondContact O-N 3.48Å |
| 5 | K | 58.8 | Low | 61.6 | Low | 146 Ų | 146 | 106.8 Ų | 106.8 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.5 | -46.5 | -179.9 | -164.5 | 179.5 | -179.8 | -173.4 | 0 | 110.7 | H2 F7 A8 D9 | H2-K5 PolarHBondContact O-N 3.33Å; K5-F7 VanDerWaalsContact C-N 3.3Å; K5-F7 PolarHBondContact O-N 3.23Å; K5-A8 PolarHBondContact O-N 3.46Å; K5-D9 WeakPolarHBondContact O-CB 3.47Å; K5-D9 PolarHBondContact O-N 3.02Å |
| 6 | V | 62 | Low | 61.7 | Low | 62 Ų | 62 | 107.1 Ų | 107.1 | 38% | 0.376 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.9 | -39.4 | 177 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | D9 I10 | V6-D9 PolarHBondContact O-N 3.49Å; V6-I10 HydrophobicContact CG1-CD1 3.63Å; V6-I10 HydrophobicContact CG1-CG1 4.37Å; V6-I10 WeakPolarHBondContact O-CB 3.15Å; V6-I10 WeakPolarHBondContact O-CD1 3.47Å; V6-I10 WeakPolarHBondContact O-CG1 3.39Å; V6-I10 PolarHBondContact O-N 3.43Å |
| 7 | F | 59.4 | Low | 61.7 | Low | 116 Ų | 116 | 107.8 Ų | 107.8 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.7 | -37.7 | 179 | -167.2 | -105.8 | 0 | 0 | 0 | 113.2 | S3 K5 Q11 W37 | S3-F7 PolarHBondContact O-N 2.97Å; K5-F7 VanDerWaalsContact C-N 3.3Å; K5-F7 PolarHBondContact O-N 3.23Å; F7-Q11 WeakPolarHBondContact O-CG 3.47Å; F7-Q11 PolarHBondContact O-N 3.18Å; F7-W37 AromaticContact CE1-CH2 3.97Å; F7-W37 HydrophobicContact CE1-CH2 3.97Å; F7-W37 HydrophobicContact CE1-CZ3 4Å; F7-W37 HydrophobicContact CZ-CZ3 4.4Å |
| 8 | A | 63.2 | Low | 61.7 | Low | 58 Ų | 58 | 106.9 Ų | 106.9 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.8 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H4 K5 S12 | H4-A8 PolarHBondContact O-N 3.48Å; K5-A8 PolarHBondContact O-N 3.46Å; A8-S12 WeakPolarHBondContact O-CB 3.36Å; A8-S12 PolarHBondContact O-N 3.09Å |
| 9 | D | 62 | Low | 61.5 | Low | 89 Ų | 89 | 106.7 Ų | 106.7 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.1 | -42.8 | 179.5 | -65.3 | -24.8 | 0 | 0 | 0 | 111.1 | K5 V6 S12 E13 | K5-D9 WeakPolarHBondContact O-CB 3.47Å; K5-D9 PolarHBondContact O-N 3.02Å; V6-D9 PolarHBondContact O-N 3.49Å; D9-S12 PolarHBondContact O-N 3.23Å; D9-E13 PolarHBondContact O-N 3.21Å; D9-E13 VanDerWaalsContact O-N 3.09Å |
| 10 | I | 67.3 | Low | 61.5 | Low | 86 Ų | 86 | 109 Ų | 109 | 44% | 0.441 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.2 | -46.6 | 176.7 | -68.4 | 164.9 | 0 | 0 | 0 | 111.3 | V6 S12 E13 E14 | V6-I10 HydrophobicContact CG1-CD1 3.63Å; V6-I10 HydrophobicContact CG1-CG1 4.37Å; V6-I10 WeakPolarHBondContact O-CB 3.15Å; V6-I10 WeakPolarHBondContact O-CD1 3.47Å; V6-I10 WeakPolarHBondContact O-CG1 3.39Å; V6-I10 PolarHBondContact O-N 3.43Å; I10-S12 VanDerWaalsContact C-N 3.33Å; I10-S12 PolarHBondContact O-N 3.34Å; I10-E13 PolarHBondContact O-N 3.02Å; I10-E14 HydrophobicContact CG2-CG 4.49Å; I10-E14 WeakPolarHBondContact O-CG 3.25Å; I10-E14 PolarHBondContact O-N 3.01Å |
| 11 | Q | 64.4 | Low | 61.1 | Low | 38 Ų | 38 | 110.5 Ų | 110.5 | 18% | 0.178 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -65.2 | -37.7 | 178.4 | -76.4 | -155.1 | 32.3 | 0 | 0 | 113 | F7 E13 I15 | F7-Q11 WeakPolarHBondContact O-CG 3.47Å; F7-Q11 PolarHBondContact O-N 3.18Å; Q11-E13 VanDerWaalsContact C-N 3.27Å; Q11-E13 PolarHBondContact O-N 3.43Å; Q11-I15 WeakPolarHBondContact O-CB 3.31Å; Q11-I15 VanDerWaalsContact O-CD1 3.29Å; Q11-I15 WeakPolarHBondContact O-CD1 3.29Å; Q11-I15 WeakPolarHBondContact O-CG1 3.47Å; Q11-I15 PolarHBondContact O-N 3.01Å |
| 12 | S | 64 | Low | 61.1 | Low | 71 Ų | 71 | 104.2 Ų | 104.2 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | A8 D9 I10 L16 | A8-S12 WeakPolarHBondContact O-CB 3.36Å; A8-S12 PolarHBondContact O-N 3.09Å; D9-S12 PolarHBondContact O-N 3.23Å; I10-S12 VanDerWaalsContact C-N 3.33Å; I10-S12 PolarHBondContact O-N 3.34Å; S12-L16 VanDerWaalsContact O-CB 3.31Å; S12-L16 WeakPolarHBondContact O-CB 3.33Å; S12-L16 PolarHBondContact O-N 3.13Å; S12-L16 VanDerWaalsContact O-N 3.13Å |
| 13 | E | 65.2 | Low | 61.1 | Low | 125 Ų | 125 | 102.6 Ų | 102.6 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.2 | -43.2 | -179.4 | -165.5 | 158.4 | 167.6 | 0 | 0 | 112.4 | D9 I10 Q11 I15 L16 Q17 | D9-E13 PolarHBondContact O-N 3.21Å; D9-E13 VanDerWaalsContact O-N 3.09Å; I10-E13 PolarHBondContact O-N 3.02Å; Q11-E13 VanDerWaalsContact C-N 3.27Å; Q11-E13 PolarHBondContact O-N 3.43Å; E13-I15 PolarHBondContact O-N 2.93Å; E13-L16 PolarHBondContact O-N 3.48Å; E13-Q17 WeakPolarHBondContact O-CB 3.11Å; E13-Q17 WeakPolarHBondContact O-CG 3.34Å; E13-Q17 PolarHBondContact O-N 3.46Å |
| 14 | E | 64.5 | Low | 60.9 | Low | 122 Ų | 122 | 101.3 Ų | 101.3 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 176 | -71.7 | -179.3 | 127.8 | 0 | 0 | 112.4 | I10 H18 | I10-E14 HydrophobicContact CG2-CG 4.49Å; I10-E14 WeakPolarHBondContact O-CG 3.25Å; I10-E14 PolarHBondContact O-N 3.01Å; E14-H18 VanDerWaalsContact O-CB 3.25Å; E14-H18 WeakPolarHBondContact O-CB 3.49Å; E14-H18 PolarHBondContact O-N 3.27Å |
| 15 | I | 64.5 | Low | 60.8 | Low | 94 Ų | 94 | 99.7 Ų | 99.7 | 48% | 0.482 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 178.2 | -67.9 | 165.4 | 0 | 0 | 0 | 111.3 | Q11 E13 H18 N19 | Q11-I15 WeakPolarHBondContact O-CB 3.31Å; Q11-I15 VanDerWaalsContact O-CD1 3.29Å; Q11-I15 WeakPolarHBondContact O-CD1 3.29Å; Q11-I15 WeakPolarHBondContact O-CG1 3.47Å; Q11-I15 PolarHBondContact O-N 3.01Å; E13-I15 PolarHBondContact O-N 2.93Å; I15-H18 PolarHBondContact O-N 3.41Å; I15-N19 PolarHBondContact O-N 3.32Å; I15-N19 VanDerWaalsContact O-N 3.08Å; I15-N19 PolarHBondContact O-ND2 3.08Å |
| 16 | L | 63.4 | Low | 60.7 | Low | 112 Ų | 112 | 100.8 Ų | 100.8 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.3 | -39.4 | -179.1 | -148.5 | 156.4 | 0 | 0 | 0 | 110.9 | S12 E13 N19 Q20 | S12-L16 VanDerWaalsContact O-CB 3.31Å; S12-L16 WeakPolarHBondContact O-CB 3.33Å; S12-L16 PolarHBondContact O-N 3.13Å; S12-L16 VanDerWaalsContact O-N 3.13Å; E13-L16 PolarHBondContact O-N 3.48Å; L16-N19 PolarHBondContact O-N 3.36Å; L16-Q20 PolarHBondContact O-N 3.42Å |
| 17 | Q | 61.4 | Low | 60.6 | Low | 119 Ų | 119 | 106.7 Ų | 106.7 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.9 | -40.8 | 173.4 | -71.2 | -179.3 | -12.6 | 0 | 0 | 112.5 | E13 N19 Q20 N21 | E13-Q17 WeakPolarHBondContact O-CB 3.11Å; E13-Q17 WeakPolarHBondContact O-CG 3.34Å; E13-Q17 PolarHBondContact O-N 3.46Å; Q17-N19 VanDerWaalsContact C-N 3.32Å; Q17-N19 PolarHBondContact O-N 3.1Å; Q17-Q20 PolarHBondContact O-N 3.47Å; Q17-N21 PolarHBondContact O-N 3.49Å; Q17-N21 VanDerWaalsContact O-N 3.1Å |
| 18 | H | 62.5 | Low | 60.4 | Low | 92 Ų | 92 | 104.8 Ų | 104.8 | 43% | 0.426 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.8 | -43 | 175.2 | 179.5 | -89.1 | 0 | 0 | 0 | 111.4 | E14 I15 Q20 N21 M22 | E14-H18 VanDerWaalsContact O-CB 3.25Å; E14-H18 WeakPolarHBondContact O-CB 3.49Å; E14-H18 PolarHBondContact O-N 3.27Å; I15-H18 PolarHBondContact O-N 3.41Å; H18-Q20 PolarHBondContact O-N 3.35Å; H18-N21 PolarHBondContact O-N 3.08Å; H18-M22 WeakPolarHBondContact O-CB 3.01Å; H18-M22 WeakPolarHBondContact O-CG 3.08Å; H18-M22 PolarHBondContact O-N 3.01Å; H18-M22 VanDerWaalsContact O-N 3.08Å |
| 19 | N | 58.5 | Low | 60.3 | Low | 103 Ų | 103 | 106.1 Ų | 106.1 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.6 | -30.7 | 179.4 | -75.3 | -23.9 | 0 | 0 | 0 | 114.1 | I15 L16 Q17 | I15-N19 PolarHBondContact O-N 3.32Å; I15-N19 VanDerWaalsContact O-N 3.08Å; I15-N19 PolarHBondContact O-ND2 3.08Å; L16-N19 PolarHBondContact O-N 3.36Å; Q17-N19 VanDerWaalsContact C-N 3.32Å; Q17-N19 PolarHBondContact O-N 3.1Å |
| 20 | Q | 59.7 | Low | 60.3 | Low | 152 Ų | 152 | 111.9 Ų | 111.9 | 71% | 0.71 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -77.1 | -38.4 | 177.5 | -70.2 | -69.6 | -67.1 | 0 | 0 | 112.2 | L16 Q17 H18 M22 | L16-Q20 PolarHBondContact O-N 3.42Å; Q17-Q20 PolarHBondContact O-N 3.47Å; H18-Q20 PolarHBondContact O-N 3.35Å; Q20-M22 VanDerWaalsContact C-N 3.33Å |
| 21 | N | 54 | Low | 60.1 | Low | 140 Ų | 140 | 111.6 Ų | 111.6 | 75% | 0.749 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.3 | -17.9 | -179.4 | -160.2 | 18.7 | 0 | 0 | 0 | 113.1 | Q17 H18 | Q17-N21 PolarHBondContact O-N 3.49Å; Q17-N21 VanDerWaalsContact O-N 3.1Å; H18-N21 PolarHBondContact O-N 3.08Å |
| 22 | M | 50.8 | Low | 60.2 | Low | 51 Ų | 51 | 111.8 Ų | 111.8 | 25% | 0.251 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -87.4 | -3.8 | -177.5 | -83 | -74.4 | -63.6 | 0 | 0 | 115.3 | H18 Q20 G24 L25 V28 | H18-M22 WeakPolarHBondContact O-CB 3.01Å; H18-M22 WeakPolarHBondContact O-CG 3.08Å; H18-M22 PolarHBondContact O-N 3.01Å; H18-M22 VanDerWaalsContact O-N 3.08Å; Q20-M22 VanDerWaalsContact C-N 3.33Å; M22-G24 PolarHBondContact O-N 3.48Å; M22-L25 PolarHBondContact O-N 3.5Å; M22-V28 HydrophobicContact CE-CB 3.41Å; M22-V28 VanDerWaalsContact CE-CB 3.41Å; M22-V28 HydrophobicContact CE-CG2 3.07Å; M22-V28 HydrophobicContact SD-CB 4.33Å; M22-V28 HydrophobicContact SD-CG2 3.32Å; M22-V28 WeakPolarHBondContact SD-CG2 3.32Å |
| 23 | S | 58.8 | Low | 60.3 | Low | 116 Ų | 116 | 113.1 Ų | 113.1 | 81% | 0.811 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -65.3 | -8 | -178.8 | -173.3 | 0 | 0 | 0 | 0 | 114 | ||
| 24 | G | 56.2 | Low | 60.6 | Low | 73 Ų | 73 | 111 Ų | 111 | 75% | 0.753 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -133.7 | 2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | M22 | M22-G24 PolarHBondContact O-N 3.48Š|
| 25 | L | 57 | Low | 60.8 | Low | 128 Ų | 128 | 108 Ų | 108 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -112.7 | 102.1 | -177.5 | -161.1 | 65.5 | 0 | 0 | 0 | 110 | M22 K27 | M22-L25 PolarHBondContact O-N 3.5Å; L25-K27 PolarHBondContact O-N 3.02Å |
| 26 | E | 55 | Low | 61.3 | Low | 169 Ų | 169 | 107 Ų | 107 | 79% | 0.79 | 59% | 0.585 | S | S | * | * | trans | -44.9 | 129.3 | -178.5 | -69.8 | 173.4 | 72.5 | 0 | 0 | 113.4 | ||||
| 27 | K | 59.9 | Low | 61.6 | Low | 187 Ų | 187 | 107.7 Ų | 107.7 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | trans | 51.8 | 72.7 | 158.7 | -59 | 173.4 | -174.9 | 165.4 | 0 | 113.9 | L25 S29 | L25-K27 PolarHBondContact O-N 3.02Å; K27-S29 PolarHBondContact O-N 2.99Å | ||
| 28 | V | 55.5 | Low | 62.2 | Low | 76 Ų | 76 | 107.9 Ų | 107.9 | 46% | 0.461 | 58% | 0.579 | S | S | . | * | trans | -54.9 | 115.9 | 149.1 | 158.7 | 0 | 0 | 0 | 0 | 106.8 | M22 K30 | M22-V28 HydrophobicContact CE-CB 3.41Å; M22-V28 VanDerWaalsContact CE-CB 3.41Å; M22-V28 HydrophobicContact CE-CG2 3.07Å; M22-V28 HydrophobicContact SD-CB 4.33Å; M22-V28 HydrophobicContact SD-CG2 3.32Å; M22-V28 WeakPolarHBondContact SD-CG2 3.32Å; V28-K30 PolarHBondContact O-N 3.46Å | ||
| 29 | S | 61.3 | Low | 62.6 | Low | 85 Ų | 85 | 108.3 Ų | 108.3 | 59% | 0.594 | 58% | 0.584 | S | S | * | * | trans | -41.2 | 131.4 | 167.6 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | K27 I31 | K27-S29 PolarHBondContact O-N 2.99Å; S29-I31 PolarHBondContact O-N 2.74Å | ||
| 30 | K | 62.2 | Low | 62.9 | Low | 211 Ų | 211 | 109 Ų | 109 | 92% | 0.917 | 58% | 0.584 | S | S | * | * | trans | -69.2 | 51 | -176.9 | -67 | 179.7 | 178.7 | 178.7 | 0 | 110.9 | V28 S32 | V28-K30 PolarHBondContact O-N 3.46Å; K30-S32 PolarHBondContact O-N 3.34Å; K30-S32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | I | 63.4 | Low | 63.4 | Low | 79 Ų | 79 | 106.8 Ų | 106.8 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | trans | -67.6 | 112.8 | 167.5 | -45.9 | 168.5 | 0 | 0 | 0 | 103.1 | S29 D35 V36 | S29-I31 PolarHBondContact O-N 2.74Å; I31-D35 HydrophobicContact CG2-CB 3.6Å; I31-V36 HydrophobicContact CB-CG2 4.25Å; I31-V36 HydrophobicContact CG2-CG2 3.78Å | ||
| 32 | S | 67 | Low | 64.3 | Low | 43 Ų | 43 | 107.6 Ų | 107.6 | 30% | 0.301 | 57% | 0.569 | S | S | . | * | trans | -60.5 | 149.6 | 177.7 | 73.7 | 0 | 0 | 0 | 0 | 108 | K30 C34 D35 V36 | K30-S32 PolarHBondContact O-N 3.34Å; K30-S32 VanDerWaalsContact O-N 3.16Å; S32-C34 PolarHBondContact O-N 3.38Å; S32-D35 WeakPolarHBondContact CB-OD2 3.28Å; S32-D35 WeakPolarHBondContact O-CA 3.25Å; S32-D35 PolarHBondContact O-N 3.06Å; S32-D35 PolarHBondContact OG-N 3.43Å; S32-D35 PolarHBondContact OG-OD2 2.95Å; S32-V36 PolarHBondContact O-N 3.44Å; S32-V36 VanDerWaalsContact O-N 3.12Å | ||
| 33 | P | 65.6 | Low | 65 | Low | 98 Ų | 98 | 110 Ų | 110 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -50 | -31.4 | 173.5 | -27.3 | 34.2 | 0 | 0 | 0 | 112.2 | V36 W37 | P33-V36 PolarHBondContact O-N 3.22Å; P33-W37 PolarHBondContact O-N 3.38Å; P33-W37 PolarHBondContact O-NE1 3.37Å |
| 34 | C | 71 | Confident | 65.3 | Low | 80 Ų | 80 | 110 Ų | 110 | 54% | 0.541 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.1 | -35 | 175.6 | -162.6 | 0 | 0 | 0 | 0 | 113.4 | S32 K38 | S32-C34 PolarHBondContact O-N 3.38Å; C34-K38 WeakPolarHBondContact O-CG 3.48Å; C34-K38 PolarHBondContact O-N 2.97Å |
| 35 | D | 69.7 | Low | 65.4 | Low | 59 Ų | 59 | 112 Ų | 112 | 32% | 0.316 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -78.9 | -28.9 | 178.3 | -61.1 | -43.4 | 0 | 0 | 0 | 112.2 | I31 S32 W37 K38 L39 | I31-D35 HydrophobicContact CG2-CB 3.6Å; S32-D35 WeakPolarHBondContact CB-OD2 3.28Å; S32-D35 WeakPolarHBondContact O-CA 3.25Å; S32-D35 PolarHBondContact O-N 3.06Å; S32-D35 PolarHBondContact OG-N 3.43Å; S32-D35 PolarHBondContact OG-OD2 2.95Å; D35-W37 VanDerWaalsContact C-N 3.31Å; D35-W37 PolarHBondContact O-N 2.96Å; D35-K38 PolarHBondContact O-N 3.34Å; D35-K38 IonicContact OD1-NZ 2.88Å; D35-K38 PolarHBondContact OD1-NZ 3.23Å; D35-L39 WeakPolarHBondContact O-CG 3.45Å; D35-L39 PolarHBondContact O-N 3.49Å |
| 36 | V | 73.8 | Confident | 65.7 | Low | 75 Ų | 75 | 113.2 Ų | 113.2 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.3 | -43.6 | 170 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | I31 S32 P33 K38 L39 Q40 | I31-V36 HydrophobicContact CB-CG2 4.25Å; I31-V36 HydrophobicContact CG2-CG2 3.78Å; S32-V36 PolarHBondContact O-N 3.44Å; S32-V36 VanDerWaalsContact O-N 3.12Å; P33-V36 PolarHBondContact O-N 3.22Å; V36-K38 PolarHBondContact O-N 3.05Å; V36-L39 PolarHBondContact O-N 3.34Å; V36-Q40 PolarHBondContact O-N 3.25Å |
| 37 | W | 70.8 | Confident | 66.2 | Low | 125 Ų | 125 | 110.5 Ų | 110.5 | 47% | 0.473 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -36.4 | 179.3 | -66.2 | 31.5 | 0 | 0 | 0 | 112 | F7 P33 D35 Q40 I41 | F7-W37 AromaticContact CE1-CH2 3.97Å; F7-W37 HydrophobicContact CE1-CH2 3.97Å; F7-W37 HydrophobicContact CE1-CZ3 4Å; F7-W37 HydrophobicContact CZ-CZ3 4.4Å; P33-W37 PolarHBondContact O-N 3.38Å; P33-W37 PolarHBondContact O-NE1 3.37Å; D35-W37 VanDerWaalsContact C-N 3.31Å; D35-W37 PolarHBondContact O-N 2.96Å; W37-Q40 PolarHBondContact O-N 3.49Å; W37-I41 VanDerWaalsContact O-CG1 3.28Å; W37-I41 WeakPolarHBondContact O-CG1 3.49Å; W37-I41 PolarHBondContact O-N 3.01Å |
| 38 | K | 74.1 | Confident | 66.5 | Low | 123 Ų | 123 | 106.4 Ų | 106.4 | 54% | 0.535 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 174.2 | -71.4 | 175.8 | -163.6 | 155.5 | 0 | 111.9 | C34 D35 V36 I41 Y42 | C34-K38 WeakPolarHBondContact O-CG 3.48Å; C34-K38 PolarHBondContact O-N 2.97Å; D35-K38 PolarHBondContact O-N 3.34Å; D35-K38 IonicContact OD1-NZ 2.88Å; D35-K38 PolarHBondContact OD1-NZ 3.23Å; V36-K38 PolarHBondContact O-N 3.05Å; K38-I41 PolarHBondContact O-N 3.41Å; K38-Y42 WeakPolarHBondContact O-CB 3.46Å; K38-Y42 PolarHBondContact O-N 3.2Å |
| 39 | L | 69.9 | Low | 67.1 | Low | 101 Ų | 101 | 108.1 Ų | 108.1 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -41.9 | 176.7 | -72 | 169.8 | 0 | 0 | 0 | 111.4 | D35 V36 I41 Y42 V43 | D35-L39 WeakPolarHBondContact O-CG 3.45Å; D35-L39 PolarHBondContact O-N 3.49Å; V36-L39 PolarHBondContact O-N 3.34Å; L39-I41 VanDerWaalsContact C-N 3.33Å; L39-I41 PolarHBondContact O-N 2.88Å; L39-Y42 PolarHBondContact O-N 2.82Å; L39-V43 WeakPolarHBondContact O-CG2 3.4Å; L39-V43 PolarHBondContact O-N 3.12Å |
| 40 | Q | 65.3 | Low | 67.5 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.7 | -45.7 | 174.7 | -172.9 | 65.1 | 19.6 | 0 | 0 | 111.1 | V36 W37 V43 N44 | V36-Q40 PolarHBondContact O-N 3.25Å; W37-Q40 PolarHBondContact O-N 3.49Å; Q40-V43 PolarHBondContact O-N 3.33Å; Q40-N44 PolarHBondContact NE2-ND2 3.26Å; Q40-N44 PolarHBondContact O-N 3.16Å; Q40-N44 PolarHBondContact O-ND2 3.18Å |
| 41 | I | 70.1 | Confident | 67.8 | Low | 104 Ų | 104 | 103.1 Ų | 103.1 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 177 | -68.3 | 163.9 | 0 | 0 | 0 | 110.8 | W37 K38 L39 V43 N44 V45 | W37-I41 VanDerWaalsContact O-CG1 3.28Å; W37-I41 WeakPolarHBondContact O-CG1 3.49Å; W37-I41 PolarHBondContact O-N 3.01Å; K38-I41 PolarHBondContact O-N 3.41Å; L39-I41 VanDerWaalsContact C-N 3.33Å; L39-I41 PolarHBondContact O-N 2.88Å; I41-V43 VanDerWaalsContact C-N 3.33Å; I41-V43 PolarHBondContact O-N 2.62Å; I41-N44 PolarHBondContact O-N 2.65Å; I41-V45 HydrophobicContact CG2-CG2 4Å; I41-V45 WeakPolarHBondContact O-CB 3.5Å; I41-V45 VanDerWaalsContact O-CG2 3.25Å; I41-V45 WeakPolarHBondContact O-CG2 3.43Å; I41-V45 PolarHBondContact O-N 3.04Å |
| 42 | Y | 71.9 | Confident | 68.1 | Low | 157 Ų | 157 | 104.7 Ų | 104.7 | 62% | 0.616 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57.8 | -43.9 | 179.4 | -176.9 | -93.2 | 0 | 0 | 0 | 112.5 | K38 L39 N44 V45 V46 | K38-Y42 WeakPolarHBondContact O-CB 3.46Å; K38-Y42 PolarHBondContact O-N 3.2Å; L39-Y42 PolarHBondContact O-N 2.82Å; Y42-N44 VanDerWaalsContact C-N 3.27Å; Y42-N44 PolarHBondContact O-N 3.26Å; Y42-V45 PolarHBondContact O-N 3.37Å; Y42-V46 HydrophobicContact CE1-CG2 4.12Å; Y42-V46 HydrophobicContact CE2-CG2 4.27Å; Y42-V46 PolarHBondContact O-N 3.04Å |
| 43 | V | 66.9 | Low | 68.2 | Low | 103 Ų | 103 | 109.1 Ų | 109.1 | 62% | 0.624 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.2 | -27.7 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 112.6 | L39 Q40 I41 | L39-V43 WeakPolarHBondContact O-CG2 3.4Å; L39-V43 PolarHBondContact O-N 3.12Å; Q40-V43 PolarHBondContact O-N 3.33Å; I41-V43 VanDerWaalsContact C-N 3.33Å; I41-V43 PolarHBondContact O-N 2.62Å |
| 44 | N | 64.4 | Low | 68.4 | Low | 114 Ų | 114 | 110 Ų | 110 | 61% | 0.61 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -87.2 | -11.8 | 177.8 | -77.1 | -88.1 | 0 | 0 | 0 | 113.7 | Q40 I41 Y42 | Q40-N44 PolarHBondContact NE2-ND2 3.26Å; Q40-N44 PolarHBondContact O-N 3.16Å; Q40-N44 PolarHBondContact O-ND2 3.18Å; I41-N44 PolarHBondContact O-N 2.65Å; Y42-N44 VanDerWaalsContact C-N 3.27Å; Y42-N44 PolarHBondContact O-N 3.26Å |
| 45 | V | 58.8 | Low | 68.2 | Low | 116 Ų | 116 | 112.5 Ų | 112.5 | 70% | 0.703 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -104.5 | -20.9 | -176.4 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | I41 Y42 | I41-V45 HydrophobicContact CG2-CG2 4Å; I41-V45 WeakPolarHBondContact O-CB 3.5Å; I41-V45 VanDerWaalsContact O-CG2 3.25Å; I41-V45 WeakPolarHBondContact O-CG2 3.43Å; I41-V45 PolarHBondContact O-N 3.04Å; Y42-V45 PolarHBondContact O-N 3.37Å |
| 46 | V | 62.2 | Low | 68 | Low | 154 Ų | 154 | 117.4 Ų | 117.4 | 93% | 0.933 | 60% | 0.597 | S | S | * | * | trans | -85.9 | 0 | 171.3 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | Y42 | Y42-V46 HydrophobicContact CE1-CG2 4.12Å; Y42-V46 HydrophobicContact CE2-CG2 4.27Å; Y42-V46 PolarHBondContact O-N 3.04Å |
Retrieved 46 of 46 residues in 42.8 ms
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