| 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 | 31.9 | Very low | 56.5 | Low | 248 Ų | 248 | 129.7 Ų | 129.7 | 100% | 1.222 | 69% | 0.686 | S | S | * | * | 0 | 86.5 | 0 | -58.8 | 175.2 | -78.7 | 0 | 0 | 104.9 | |||||
| 2 | G | 43.4 | Very low | 58.2 | Low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | cis | 140.8 | -14 | 37.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | E | 53.2 | Low | 59.7 | Low | 194 Ų | 194 | 121.2 Ų | 121.2 | 91% | 0.907 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -127.3 | 7.9 | -174.5 | -60.2 | -177.2 | 102.4 | 0 | 0 | 114 | ||
| 4 | D | 54.3 | Low | 60.9 | Low | 93 Ų | 93 | 120.3 Ų | 120.3 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | trans | -83.4 | -28.4 | -173 | -148.3 | -160.9 | 0 | 0 | 0 | 113.6 | K6 S7 E8 | D4-K6 VanDerWaalsContact C-N 3.31Å; D4-K6 PolarHBondContact O-N 3.03Å; D4-S7 PolarHBondContact O-N 2.84Å; D4-S7 VanDerWaalsContact O-N 3.12Å; D4-E8 HydrophobicContact CB-CG 4.17Å; D4-E8 WeakPolarHBondContact CB-OE2 3.36Å; D4-E8 WeakPolarHBondContact O-CB 3.49Å; D4-E8 WeakPolarHBondContact O-CG 3.47Å; D4-E8 PolarHBondContact O-N 2.73Å; D4-E8 WeakPolarHBondContact OD1-CG 3.22Å; D4-E8 VanDerWaalsContact OD1-OE2 3.07Å | ||
| 5 | L | 53.4 | Low | 62.4 | Low | 143 Ų | 143 | 117.7 Ų | 117.7 | 75% | 0.749 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -29.6 | -167 | -77.4 | 159.1 | 0 | 0 | 0 | 117 | ||
| 6 | K | 57.9 | Low | 63.7 | Low | 181 Ų | 181 | 116.8 Ų | 116.8 | 79% | 0.787 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -25.4 | -177.8 | -160.7 | 177.8 | 178.5 | 70.4 | 0 | 113.2 | D4 | D4-K6 VanDerWaalsContact C-N 3.31Å; D4-K6 PolarHBondContact O-N 3.03Å |
| 7 | S | 59.8 | Low | 64.6 | Low | 68 Ų | 68 | 118.1 Ų | 118.1 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -80 | -38.1 | 177.1 | -156.8 | 0 | 0 | 0 | 0 | 110.1 | D4 D9 I10 L11 | D4-S7 PolarHBondContact O-N 2.84Å; D4-S7 VanDerWaalsContact O-N 3.12Å; S7-D9 VanDerWaalsContact C-N 3.27Å; S7-D9 PolarHBondContact O-N 3.37Å; S7-I10 PolarHBondContact O-N 3.49Å; S7-L11 WeakPolarHBondContact O-CB 3.35Å; S7-L11 PolarHBondContact O-N 2.61Å |
| 8 | E | 59.3 | Low | 65.7 | Low | 94 Ų | 94 | 111.9 Ų | 111.9 | 44% | 0.439 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.9 | -29.2 | 173.5 | -73.1 | 179.7 | 95 | 0 | 0 | 113.5 | D4 G12 | D4-E8 HydrophobicContact CB-CG 4.17Å; D4-E8 WeakPolarHBondContact CB-OE2 3.36Å; D4-E8 WeakPolarHBondContact O-CB 3.49Å; D4-E8 WeakPolarHBondContact O-CG 3.47Å; D4-E8 PolarHBondContact O-N 2.73Å; D4-E8 WeakPolarHBondContact OD1-CG 3.22Å; D4-E8 VanDerWaalsContact OD1-OE2 3.07Å; E8-G12 WeakPolarHBondContact O-CA 3.19Å; E8-G12 PolarHBondContact O-N 3.44Å |
| 9 | D | 68.6 | Low | 66.8 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68 | -47.7 | 179.5 | -70.5 | -33.1 | 0 | 0 | 0 | 111.8 | S7 F13 | S7-D9 VanDerWaalsContact C-N 3.27Å; S7-D9 PolarHBondContact O-N 3.37Å; D9-F13 WeakPolarHBondContact O-CB 3.3Å; D9-F13 PolarHBondContact O-N 2.97Å; D9-F13 VanDerWaalsContact O-N 3.12Å |
| 10 | I | 69.1 | Low | 67.7 | Low | 127 Ų | 127 | 107.3 Ų | 107.3 | 65% | 0.651 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76.1 | -39.6 | -179 | -153.8 | 79.5 | 0 | 0 | 0 | 111.2 | S7 | S7-I10 PolarHBondContact O-N 3.49Å |
| 11 | L | 71.2 | Confident | 68.4 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 48% | 0.482 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -78.1 | -37.8 | -179.1 | -150.2 | 77.3 | 0 | 0 | 0 | 110.2 | S7 K14 L15 F67 | S7-L11 WeakPolarHBondContact O-CB 3.35Å; S7-L11 PolarHBondContact O-N 2.61Å; L11-K14 PolarHBondContact O-N 3.47Å; L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.01Å; L11-L15 PolarHBondContact O-N 3.09Å; L11-F67 HydrophobicContact CD1-CE1 4.4Å |
| 12 | G | 76.5 | Confident | 70.9 | Confident | 26 Ų | 26 | 93.3 Ų | 93.3 | 27% | 0.268 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E8 K14 L15 D16 | E8-G12 WeakPolarHBondContact O-CA 3.19Å; E8-G12 PolarHBondContact O-N 3.44Å; G12-K14 VanDerWaalsContact C-N 3.26Å; G12-K14 PolarHBondContact O-N 3.29Å; G12-L15 PolarHBondContact O-N 2.81Å; G12-D16 WeakPolarHBondContact O-CB 3.06Å; G12-D16 PolarHBondContact O-N 3.47Å |
| 13 | F | 78.5 | Confident | 72.9 | Confident | 123 Ų | 123 | 95.6 Ų | 95.6 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -38.3 | 170.5 | -178.9 | -98.4 | 0 | 0 | 0 | 112.2 | D9 R17 | D9-F13 WeakPolarHBondContact O-CB 3.3Å; D9-F13 PolarHBondContact O-N 2.97Å; D9-F13 VanDerWaalsContact O-N 3.12Å; F13-R17 WeakPolarHBondContact O-CB 3.45Å; F13-R17 PolarHBondContact O-N 2.75Å |
| 14 | K | 76.4 | Confident | 74.5 | Confident | 108 Ų | 108 | 90.3 Ų | 90.3 | 47% | 0.47 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74 | -41.9 | 175.9 | -68.6 | -171.9 | 175 | -160.7 | 0 | 112.2 | L11 G12 R17 C18 F67 | L11-K14 PolarHBondContact O-N 3.47Å; G12-K14 VanDerWaalsContact C-N 3.26Å; G12-K14 PolarHBondContact O-N 3.29Å; K14-R17 PolarHBondContact O-N 3.49Å; K14-C18 WeakPolarHBondContact O-CB 3.49Å; K14-C18 PolarHBondContact O-N 3.04Å; K14-F67 HydrophobicContact CB-CD1 4.35Å; K14-F67 HydrophobicContact CB-CE1 3.34Å; K14-F67 HydrophobicContact CB-CZ 3.67Å; K14-F67 HydrophobicContact CD-CD1 3.81Å; K14-F67 HydrophobicContact CD-CE1 3.48Å; K14-F67 VanDerWaalsContact CD-CE1 3.48Å; K14-F67 HydrophobicContact CG-CE1 4.06Å |
| 15 | L | 82.5 | Confident | 75.8 | Confident | 82 Ų | 82 | 93 Ų | 93 | 43% | 0.429 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 178.7 | -163.1 | 92.4 | 0 | 0 | 0 | 110.4 | L11 G12 R17 C18 I19 | L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.01Å; L11-L15 PolarHBondContact O-N 3.09Å; G12-L15 PolarHBondContact O-N 2.81Å; L15-R17 PolarHBondContact O-N 3.36Å; L15-C18 PolarHBondContact O-N 3.38Å; L15-I19 HydrophobicContact CD2-CD1 3.6Å; L15-I19 HydrophobicContact CG-CD1 3.6Å; L15-I19 HydrophobicContact CG-CG1 4.28Å; L15-I19 VanDerWaalsContact O-CB 3.26Å; L15-I19 WeakPolarHBondContact O-CB 3.31Å; L15-I19 WeakPolarHBondContact O-CG1 3.23Å; L15-I19 PolarHBondContact O-N 2.93Å |
| 16 | D | 84.1 | Confident | 77.1 | Confident | 103 Ų | 103 | 89.3 Ų | 89.3 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59.2 | -44.9 | 177.3 | -176.6 | -98.6 | 0 | 0 | 0 | 111.5 | G12 S20 | G12-D16 WeakPolarHBondContact O-CB 3.06Å; G12-D16 PolarHBondContact O-N 3.47Å; D16-S20 WeakPolarHBondContact O-CB 3.29Å; D16-S20 PolarHBondContact O-N 3.01Å; D16-S20 PolarHBondContact O-OG 3.21Å |
| 17 | R | 79.1 | Confident | 78.5 | Confident | 139 Ų | 139 | 81.7 Ų | 81.7 | 53% | 0.525 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 176.2 | -170.7 | 165.1 | -170.3 | -113.8 | 2.1 | 112.4 | F13 K14 L15 D21 | F13-R17 WeakPolarHBondContact O-CB 3.45Å; F13-R17 PolarHBondContact O-N 2.75Å; K14-R17 PolarHBondContact O-N 3.49Å; L15-R17 PolarHBondContact O-N 3.36Å; R17-D21 WeakPolarHBondContact O-CB 3.47Å; R17-D21 PolarHBondContact O-N 2.91Å |
| 18 | C | 84.3 | Confident | 79.7 | Confident | 6 Ų | 6 | 82.3 Ų | 82.3 | 4% | 0.041 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | K14 L15 S20 D21 T22 C63 | K14-C18 WeakPolarHBondContact O-CB 3.49Å; K14-C18 PolarHBondContact O-N 3.04Å; L15-C18 PolarHBondContact O-N 3.38Å; C18-S20 VanDerWaalsContact C-N 3.32Å; C18-S20 PolarHBondContact O-N 3.33Å; C18-D21 PolarHBondContact O-N 2.76Å; C18-T22 WeakPolarHBondContact O-CB 3.41Å; C18-T22 PolarHBondContact O-N 3.45Å; C18-T22 PolarHBondContact O-OG1 3.4Å; C18-C63 HydrophobicContact CB-CB 4.03Å; C18-C63 WeakPolarHBondContact CB-SG 3.14Å; C18-C63 WeakPolarHBondContact SG-CA 2.89Å; C18-C63 WeakPolarHBondContact SG-CB 3.36Å; C18-C63 CovalentContact SG-SG 2.05Å; C18-C63 PolarHBondContact SG-SG 3.28Å |
| 19 | I | 85.7 | Confident | 80.9 | Confident | 84 Ų | 84 | 80.4 Ų | 80.4 | 43% | 0.431 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 179.4 | -72.1 | 170.8 | 0 | 0 | 0 | 109.2 | L15 T22 L23 | L15-I19 HydrophobicContact CD2-CD1 3.6Å; L15-I19 HydrophobicContact CG-CD1 3.6Å; L15-I19 HydrophobicContact CG-CG1 4.28Å; L15-I19 VanDerWaalsContact O-CB 3.26Å; L15-I19 WeakPolarHBondContact O-CB 3.31Å; L15-I19 WeakPolarHBondContact O-CG1 3.23Å; L15-I19 PolarHBondContact O-N 2.93Å; I19-T22 PolarHBondContact O-N 3.36Å; I19-L23 WeakPolarHBondContact O-CA 3.08Å; I19-L23 WeakPolarHBondContact O-CB 3.25Å; I19-L23 PolarHBondContact O-N 3.44Å |
| 20 | S | 85.7 | Confident | 81.6 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 34% | 0.336 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.2 | -49 | 178.2 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | D16 C18 L23 I24 | D16-S20 WeakPolarHBondContact O-CB 3.29Å; D16-S20 PolarHBondContact O-N 3.01Å; D16-S20 PolarHBondContact O-OG 3.21Å; C18-S20 VanDerWaalsContact C-N 3.32Å; C18-S20 PolarHBondContact O-N 3.33Å; S20-L23 PolarHBondContact O-N 2.72Å; S20-I24 WeakPolarHBondContact O-CB 3.2Å; S20-I24 WeakPolarHBondContact O-CD1 3.26Å; S20-I24 WeakPolarHBondContact O-CG1 3.31Å; S20-I24 PolarHBondContact O-N 3.29Å |
| 21 | D | 82.2 | Confident | 82.5 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 23% | 0.225 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 179 | -164.6 | -95.4 | 0 | 0 | 0 | 111.7 | R17 C18 L23 I24 K25 Q83 | R17-D21 WeakPolarHBondContact O-CB 3.47Å; R17-D21 PolarHBondContact O-N 2.91Å; C18-D21 PolarHBondContact O-N 2.76Å; D21-L23 PolarHBondContact O-N 2.83Å; D21-I24 PolarHBondContact O-N 3.19Å; D21-K25 WeakPolarHBondContact O-CB 3.02Å; D21-K25 PolarHBondContact O-N 2.81Å; D21-Q83 VanDerWaalsContact OD2-CB 3.3Å; D21-Q83 WeakPolarHBondContact OD2-CB 3.39Å; D21-Q83 VanDerWaalsContact OD2-CG 3.26Å; D21-Q83 WeakPolarHBondContact OD2-CG 3.49Å; D21-Q83 PolarHBondContact OD2-OE1 2.63Å |
| 22 | T | 84.3 | Confident | 83.3 | Confident | 19 Ų | 19 | 77.7 Ų | 77.7 | 12% | 0.117 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | C18 I19 T26 N62 | C18-T22 WeakPolarHBondContact O-CB 3.41Å; C18-T22 PolarHBondContact O-N 3.45Å; C18-T22 PolarHBondContact O-OG1 3.4Å; I19-T22 PolarHBondContact O-N 3.36Å; T22-T26 WeakPolarHBondContact O-CA 3.05Å; T22-T26 WeakPolarHBondContact O-CB 3.39Å; T22-T26 PolarHBondContact O-N 3.43Å; T22-T26 PolarHBondContact O-OG1 3.37Å; T22-N62 PolarHBondContact OG1-ND2 2.92Å |
| 23 | L | 86 | Confident | 83.7 | Confident | 117 Ų | 117 | 78.1 Ų | 78.1 | 61% | 0.613 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -68 | -39.1 | -179.4 | -177 | 67 | 0 | 0 | 0 | 111.1 | I19 S20 D21 G27 | I19-L23 WeakPolarHBondContact O-CA 3.08Å; I19-L23 WeakPolarHBondContact O-CB 3.25Å; I19-L23 PolarHBondContact O-N 3.44Å; S20-L23 PolarHBondContact O-N 2.72Å; D21-L23 PolarHBondContact O-N 2.83Å; L23-G27 WeakPolarHBondContact O-CA 3.26Å; L23-G27 PolarHBondContact O-N 2.83Å |
| 24 | I | 86.2 | Confident | 84 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.4 | -48.1 | 177.7 | -68.3 | 164.7 | 0 | 0 | 0 | 109.9 | S20 D21 A28 P85 | S20-I24 WeakPolarHBondContact O-CB 3.2Å; S20-I24 WeakPolarHBondContact O-CD1 3.26Å; S20-I24 WeakPolarHBondContact O-CG1 3.31Å; S20-I24 PolarHBondContact O-N 3.29Å; D21-I24 PolarHBondContact O-N 3.19Å; I24-A28 PolarHBondContact O-N 2.82Å; I24-P85 HydrophobicContact CG2-CG 3.22Å |
| 25 | K | 80.6 | Confident | 84.5 | Confident | 149 Ų | 149 | 75.4 Ų | 75.4 | 65% | 0.648 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.9 | -42.9 | -177.4 | -165.8 | 173.6 | -146.2 | 148.9 | 0 | 112.9 | D21 | D21-K25 WeakPolarHBondContact O-CB 3.02Å; D21-K25 PolarHBondContact O-N 2.81Å |
| 26 | T | 82 | Confident | 84.7 | Confident | 66 Ų | 66 | 78 Ų | 78 | 41% | 0.405 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -85.2 | -38.1 | -178.8 | -39.4 | 0 | 0 | 0 | 0 | 110.5 | T22 A28 G29 L30 | T22-T26 WeakPolarHBondContact O-CA 3.05Å; T22-T26 WeakPolarHBondContact O-CB 3.39Å; T22-T26 PolarHBondContact O-N 3.43Å; T22-T26 PolarHBondContact O-OG1 3.37Å; T26-A28 PolarHBondContact O-N 3Å; T26-G29 PolarHBondContact O-N 3.1Å; T26-L30 WeakPolarHBondContact O-CA 3.4Å; T26-L30 WeakPolarHBondContact O-CB 3Å; T26-L30 PolarHBondContact O-N 3.32Å |
| 27 | G | 85.4 | Confident | 84.7 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 22% | 0.216 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L23 F31 | L23-G27 WeakPolarHBondContact O-CA 3.26Å; L23-G27 PolarHBondContact O-N 2.83Å; G27-F31 WeakPolarHBondContact O-CB 3.3Å; G27-F31 PolarHBondContact O-N 3.04Å |
| 28 | A | 86.4 | Confident | 84.9 | Confident | 80 Ų | 80 | 72.4 Ų | 72.4 | 66% | 0.661 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.1 | -48.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I24 T26 G32 | I24-A28 PolarHBondContact O-N 2.82Å; T26-A28 PolarHBondContact O-N 3Å; A28-G32 PolarHBondContact O-N 3.27Å |
| 29 | G | 83.8 | Confident | 84.8 | Confident | 54 Ų | 54 | 77 Ų | 77 | 56% | 0.557 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -72.4 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | T26 G32 G33 | T26-G29 PolarHBondContact O-N 3.1Å; G29-G32 PolarHBondContact O-N 3.08Å; G29-G33 PolarHBondContact O-N 2.8Å |
| 30 | L | 84.5 | Confident | 84.4 | Confident | 99 Ų | 99 | 78.7 Ų | 78.7 | 52% | 0.518 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 178.1 | -174.1 | 67.4 | 0 | 0 | 0 | 110.8 | T26 G33 I34 | T26-L30 WeakPolarHBondContact O-CA 3.4Å; T26-L30 WeakPolarHBondContact O-CB 3Å; T26-L30 PolarHBondContact O-N 3.32Å; L30-G33 CarbonylContact O-C 3.57Å; L30-G33 PolarHBondContact O-N 2.92Å; L30-I34 HydrophobicContact CD1-CD1 4.25Å; L30-I34 HydrophobicContact CD1-CG1 4.2Å; L30-I34 HydrophobicContact CD2-CD1 4.22Å; L30-I34 HydrophobicContact CG-CD1 3.71Å; L30-I34 HydrophobicContact CG-CG1 4.12Å; L30-I34 VanDerWaalsContact O-CB 3.31Å; L30-I34 WeakPolarHBondContact O-CB 3.32Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 2.91Å |
| 31 | F | 87.3 | Confident | 83.8 | Confident | 143 Ų | 143 | 78 Ų | 78 | 63% | 0.627 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.2 | -47.6 | 177.1 | -172.7 | -101.4 | 0 | 0 | 0 | 111.3 | G27 I34 I35 | G27-F31 WeakPolarHBondContact O-CB 3.3Å; G27-F31 PolarHBondContact O-N 3.04Å; F31-I34 PolarHBondContact O-N 3.39Å; F31-I35 HydrophobicContact CD1-CD1 3.94Å; F31-I35 HydrophobicContact CE1-CD1 3.68Å; F31-I35 HydrophobicContact CZ-CD1 4.2Å; F31-I35 WeakPolarHBondContact O-CG1 3.24Å; F31-I35 PolarHBondContact O-N 2.63Å |
| 32 | G | 87.7 | Confident | 83.2 | Confident | 39 Ų | 39 | 84.8 Ų | 84.8 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A28 G29 I34 I35 F36 | A28-G32 PolarHBondContact O-N 3.27Å; G29-G32 PolarHBondContact O-N 3.08Å; G32-I34 PolarHBondContact O-N 2.77Å; G32-I35 PolarHBondContact O-N 2.72Å; G32-F36 WeakPolarHBondContact O-CB 3.28Å; G32-F36 PolarHBondContact O-N 3.44Å |
| 33 | G | 84.9 | Confident | 82.6 | Confident | 36 Ų | 36 | 95 Ų | 95 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G29 L30 S37 | G29-G33 PolarHBondContact O-N 2.8Å; L30-G33 CarbonylContact O-C 3.57Å; L30-G33 PolarHBondContact O-N 2.92Å; G33-S37 WeakPolarHBondContact O-CA 3.17Å; G33-S37 WeakPolarHBondContact O-CB 3.07Å; G33-S37 PolarHBondContact O-N 3.47Å |
| 34 | I | 84.7 | Confident | 82.1 | Confident | 82 Ų | 82 | 98.5 Ų | 98.5 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -47.8 | 174.6 | -74.6 | 166 | 0 | 0 | 0 | 109.6 | L30 F31 G32 F36 S37 V38 | L30-I34 HydrophobicContact CD1-CD1 4.25Å; L30-I34 HydrophobicContact CD1-CG1 4.2Å; L30-I34 HydrophobicContact CD2-CD1 4.22Å; L30-I34 HydrophobicContact CG-CD1 3.71Å; L30-I34 HydrophobicContact CG-CG1 4.12Å; L30-I34 VanDerWaalsContact O-CB 3.31Å; L30-I34 WeakPolarHBondContact O-CB 3.32Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 2.91Å; F31-I34 PolarHBondContact O-N 3.39Å; G32-I34 PolarHBondContact O-N 2.77Å; I34-F36 VanDerWaalsContact C-N 3.28Å; I34-F36 PolarHBondContact O-N 2.9Å; I34-S37 PolarHBondContact O-N 2.94Å; I34-V38 HydrophobicContact CG2-CG2 4.23Å; I34-V38 WeakPolarHBondContact O-CB 3.46Å; I34-V38 VanDerWaalsContact O-CG2 3.29Å; I34-V38 WeakPolarHBondContact O-CG2 3.41Å; I34-V38 PolarHBondContact O-N 3.33Å |
| 35 | I | 87.8 | Confident | 81.7 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 177.7 | -64.6 | 163.1 | 0 | 0 | 0 | 109.4 | F31 G32 V38 V39 | F31-I35 HydrophobicContact CD1-CD1 3.94Å; F31-I35 HydrophobicContact CE1-CD1 3.68Å; F31-I35 HydrophobicContact CZ-CD1 4.2Å; F31-I35 WeakPolarHBondContact O-CG1 3.24Å; F31-I35 PolarHBondContact O-N 2.63Å; G32-I35 PolarHBondContact O-N 2.72Å; I35-V38 PolarHBondContact O-N 3.37Å; I35-V39 WeakPolarHBondContact O-CG2 3.19Å; I35-V39 PolarHBondContact O-N 2.84Å; I35-V39 VanDerWaalsContact O-N 3.09Å |
| 36 | F | 86.2 | Confident | 81.9 | Confident | 135 Ų | 135 | 99.4 Ų | 99.4 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 177.1 | -173.6 | -107.1 | 0 | 0 | 0 | 113 | G32 I34 V39 L40 | G32-F36 WeakPolarHBondContact O-CB 3.28Å; G32-F36 PolarHBondContact O-N 3.44Å; I34-F36 VanDerWaalsContact C-N 3.28Å; I34-F36 PolarHBondContact O-N 2.9Å; F36-V39 PolarHBondContact O-N 3.04Å; F36-L40 HydrophobicContact CD1-CD1 3.94Å; F36-L40 HydrophobicContact CE1-CD1 3.27Å; F36-L40 HydrophobicContact CE1-CG 4.24Å; F36-L40 HydrophobicContact CE2-CD1 3.98Å; F36-L40 HydrophobicContact CE2-CG 4.33Å; F36-L40 HydrophobicContact CZ-CD1 3.31Å; F36-L40 HydrophobicContact CZ-CG 4.14Å; F36-L40 PolarHBondContact O-N 3.01Å |
| 37 | S | 84.8 | Confident | 81.9 | Confident | 39 Ų | 39 | 98.3 Ų | 98.3 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | G33 I34 V39 L40 A41 | G33-S37 WeakPolarHBondContact O-CA 3.17Å; G33-S37 WeakPolarHBondContact O-CB 3.07Å; G33-S37 PolarHBondContact O-N 3.47Å; I34-S37 PolarHBondContact O-N 2.94Å; S37-V39 VanDerWaalsContact C-N 3.34Å; S37-V39 PolarHBondContact O-N 3.48Å; S37-L40 PolarHBondContact O-N 2.99Å; S37-A41 WeakPolarHBondContact O-CA 3.01Å; S37-A41 WeakPolarHBondContact O-CB 3.44Å; S37-A41 PolarHBondContact O-N 3.49Å |
| 38 | V | 81.5 | Confident | 81.8 | Confident | 87 Ų | 87 | 102.2 Ų | 102.2 | 53% | 0.527 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 176 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | I34 I35 K42 | I34-V38 HydrophobicContact CG2-CG2 4.23Å; I34-V38 WeakPolarHBondContact O-CB 3.46Å; I34-V38 VanDerWaalsContact O-CG2 3.29Å; I34-V38 WeakPolarHBondContact O-CG2 3.41Å; I34-V38 PolarHBondContact O-N 3.33Å; I35-V38 PolarHBondContact O-N 3.37Å; V38-K42 PolarHBondContact O-N 2.95Å |
| 39 | V | 83.8 | Confident | 81.9 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -45.8 | 178.2 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | I35 F36 S37 | I35-V39 WeakPolarHBondContact O-CG2 3.19Å; I35-V39 PolarHBondContact O-N 2.84Å; I35-V39 VanDerWaalsContact O-N 3.09Å; F36-V39 PolarHBondContact O-N 3.04Å; S37-V39 VanDerWaalsContact C-N 3.34Å; S37-V39 PolarHBondContact O-N 3.48Å |
| 40 | L | 77.4 | Confident | 82 | Confident | 121 Ų | 121 | 106.9 Ų | 106.9 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -80.2 | -39.4 | -179.2 | -68.3 | -172.9 | 0 | 0 | 0 | 113.9 | F36 S37 K42 | F36-L40 HydrophobicContact CD1-CD1 3.94Å; F36-L40 HydrophobicContact CE1-CD1 3.27Å; F36-L40 HydrophobicContact CE1-CG 4.24Å; F36-L40 HydrophobicContact CE2-CD1 3.98Å; F36-L40 HydrophobicContact CE2-CG 4.33Å; F36-L40 HydrophobicContact CZ-CD1 3.31Å; F36-L40 HydrophobicContact CZ-CG 4.14Å; F36-L40 PolarHBondContact O-N 3.01Å; S37-L40 PolarHBondContact O-N 2.99Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 PolarHBondContact O-N 2.95Å |
| 41 | A | 71.7 | Confident | 82.1 | Confident | 32 Ų | 32 | 104 Ų | 104 | 26% | 0.264 | 53% | 0.527 | S | S | . | . | trans | -92.1 | 18.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S37 R43 R44 P47 | S37-A41 WeakPolarHBondContact O-CA 3.01Å; S37-A41 WeakPolarHBondContact O-CB 3.44Å; S37-A41 PolarHBondContact O-N 3.49Å; A41-R43 PolarHBondContact O-N 3.47Å; A41-R44 PolarHBondContact O-N 2.88Å; A41-P47 HydrophobicContact CB-CG 3.62Å | ||
| 42 | K | 70.3 | Confident | 82.1 | Confident | 185 Ų | 185 | 101.2 Ų | 101.2 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.9 | -5.7 | -175 | -172.4 | 158 | 171.6 | 165.3 | 0 | 117.9 | V38 L40 | V38-K42 PolarHBondContact O-N 2.95Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 PolarHBondContact O-N 2.95Å |
| 43 | R | 71.2 | Confident | 82.2 | Confident | 235 Ų | 235 | 101.4 Ų | 101.4 | 89% | 0.887 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | 0.1 | 174 | -84.1 | -155.6 | 175.7 | 176.8 | 1 | 117.9 | A41 | A41-R43 PolarHBondContact O-N 3.47Š|
| 44 | R | 76.5 | Confident | 82.3 | Confident | 189 Ų | 189 | 105.7 Ų | 105.7 | 71% | 0.713 | 53% | 0.533 | S | S | * | . | trans | -127.1 | 119.7 | -177.4 | -132.2 | 67.1 | -172.4 | 160.4 | -2.3 | 112.2 | A41 W46 P47 | A41-R44 PolarHBondContact O-N 2.88Å; R44-W46 HydrophobicContact CG-CB 4.26Å; R44-W46 PolarHBondContact O-N 3.5Å; R44-P47 WeakPolarHBondContact O-CD 3.45Å; R44-P47 VanDerWaalsContact O-CG 3.3Å; R44-P47 WeakPolarHBondContact O-CG 3.43Å | ||
| 45 | P | 76.8 | Confident | 82.4 | Confident | 79 Ų | 79 | 103.7 Ų | 103.7 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -74.5 | -8.5 | 175.2 | 31.1 | -35.5 | 0 | 0 | 0 | 112.7 | L48 I49 | P45-L48 WeakPolarHBondContact O-CB 3.41Å; P45-L48 PolarHBondContact O-N 2.82Å; P45-I49 PolarHBondContact O-N 2.71Å; P45-I49 VanDerWaalsContact O-N 3.1Å |
| 46 | W | 85.5 | Confident | 82.3 | Confident | 172 Ų | 172 | 104.8 Ų | 104.8 | 65% | 0.652 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55.7 | -46.6 | -178.7 | -153.1 | 78.9 | 0 | 0 | 0 | 114 | R44 L48 I49 F50 | R44-W46 HydrophobicContact CG-CB 4.26Å; R44-W46 PolarHBondContact O-N 3.5Å; W46-L48 VanDerWaalsContact C-N 3.27Å; W46-L48 PolarHBondContact O-N 2.97Å; W46-I49 PolarHBondContact O-N 3.46Å; W46-F50 HydrophobicContact CE3-CB 4.33Å; W46-F50 AromaticContact CH2-CD2 3.96Å; W46-F50 HydrophobicContact CH2-CD2 3.96Å; W46-F50 HydrophobicContact CH2-CE2 4.41Å; W46-F50 HydrophobicContact CH2-CG 4.48Å; W46-F50 HydrophobicContact CZ2-CD2 4.48Å; W46-F50 HydrophobicContact CZ3-CB 4.37Å; W46-F50 HydrophobicContact CZ3-CD2 4.17Å; W46-F50 HydrophobicContact CZ3-CG 4.24Å; W46-F50 VanDerWaalsContact O-CB 3.25Å; W46-F50 WeakPolarHBondContact O-CB 3.38Å; W46-F50 PolarHBondContact O-N 3.41Å |
| 47 | P | 82.9 | Confident | 82.4 | Confident | 44 Ų | 44 | 100.2 Ų | 100.2 | 29% | 0.286 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -27.5 | 173 | 19.5 | -33.4 | 0 | 0 | 0 | 114.6 | A41 R44 G51 | A41-P47 HydrophobicContact CB-CG 3.62Å; R44-P47 WeakPolarHBondContact O-CD 3.45Å; R44-P47 VanDerWaalsContact O-CG 3.3Å; R44-P47 WeakPolarHBondContact O-CG 3.43Å; P47-G51 VanDerWaalsContact O-CA 3.31Å; P47-G51 WeakPolarHBondContact O-CA 3.2Å; P47-G51 PolarHBondContact O-N 3.02Å |
| 48 | L | 82.9 | Confident | 82.4 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.7 | -48.2 | 174 | -66.5 | 174.3 | 0 | 0 | 0 | 110.3 | P45 W46 G51 T52 | P45-L48 WeakPolarHBondContact O-CB 3.41Å; P45-L48 PolarHBondContact O-N 2.82Å; W46-L48 VanDerWaalsContact C-N 3.27Å; W46-L48 PolarHBondContact O-N 2.97Å; L48-G51 PolarHBondContact O-N 3.49Å; L48-T52 WeakPolarHBondContact O-CB 3.35Å; L48-T52 VanDerWaalsContact O-CG2 3.26Å; L48-T52 WeakPolarHBondContact O-CG2 3.48Å; L48-T52 PolarHBondContact O-N 2.75Å; L48-T52 PolarHBondContact O-OG1 3.35Å; L48-T52 VanDerWaalsContact O-OG1 3.08Å |
| 49 | I | 87.3 | Confident | 82.5 | Confident | 112 Ų | 112 | 100.6 Ų | 100.6 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -45.8 | 179.4 | -60.7 | 163.1 | 0 | 0 | 0 | 111 | P45 W46 G51 T52 G53 | P45-I49 PolarHBondContact O-N 2.71Å; P45-I49 VanDerWaalsContact O-N 3.1Å; W46-I49 PolarHBondContact O-N 3.46Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-T52 PolarHBondContact O-OG1 2.85Å; I49-G53 PolarHBondContact O-N 2.83Å |
| 50 | F | 86.7 | Confident | 82.6 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 176.6 | -172.5 | -93.4 | 0 | 0 | 0 | 110.8 | W46 G53 F54 | W46-F50 HydrophobicContact CE3-CB 4.33Å; W46-F50 AromaticContact CH2-CD2 3.96Å; W46-F50 HydrophobicContact CH2-CD2 3.96Å; W46-F50 HydrophobicContact CH2-CE2 4.41Å; W46-F50 HydrophobicContact CH2-CG 4.48Å; W46-F50 HydrophobicContact CZ2-CD2 4.48Å; W46-F50 HydrophobicContact CZ3-CB 4.37Å; W46-F50 HydrophobicContact CZ3-CD2 4.17Å; W46-F50 HydrophobicContact CZ3-CG 4.24Å; W46-F50 VanDerWaalsContact O-CB 3.25Å; W46-F50 WeakPolarHBondContact O-CB 3.38Å; W46-F50 PolarHBondContact O-N 3.41Å; F50-G53 PolarHBondContact O-N 2.76Å; F50-F54 VanDerWaalsContact O-CB 3.23Å; F50-F54 WeakPolarHBondContact O-CB 3.48Å; F50-F54 PolarHBondContact O-N 3.06Å |
| 51 | G | 87 | Confident | 83 | Confident | 37 Ų | 37 | 98.9 Ų | 98.9 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | P47 L48 I49 G55 | P47-G51 VanDerWaalsContact O-CA 3.31Å; P47-G51 WeakPolarHBondContact O-CA 3.2Å; P47-G51 PolarHBondContact O-N 3.02Å; L48-G51 PolarHBondContact O-N 3.49Å; I49-G51 VanDerWaalsContact C-N 3.34Å; G51-G55 PolarHBondContact O-N 3.2Å |
| 52 | T | 87 | Confident | 83.5 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 175.1 | 55.2 | 0 | 0 | 0 | 0 | 111 | L48 I49 G55 L56 | L48-T52 WeakPolarHBondContact O-CB 3.35Å; L48-T52 VanDerWaalsContact O-CG2 3.26Å; L48-T52 WeakPolarHBondContact O-CG2 3.48Å; L48-T52 PolarHBondContact O-N 2.75Å; L48-T52 PolarHBondContact O-OG1 3.35Å; L48-T52 VanDerWaalsContact O-OG1 3.08Å; I49-T52 PolarHBondContact O-OG1 2.85Å; T52-G55 PolarHBondContact O-N 3.22Å; T52-L56 VanDerWaalsContact O-CB 3.28Å; T52-L56 WeakPolarHBondContact O-CB 3.26Å; T52-L56 WeakPolarHBondContact O-CD1 3.16Å; T52-L56 VanDerWaalsContact O-CG 3.24Å; T52-L56 WeakPolarHBondContact O-CG 2.99Å; T52-L56 PolarHBondContact O-N 3.42Å |
| 53 | G | 89.1 | Confident | 84 | Confident | 43 Ų | 43 | 92.7 Ų | 92.7 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I49 F50 G57 | I49-G53 PolarHBondContact O-N 2.83Å; F50-G53 PolarHBondContact O-N 2.76Å; G53-G57 PolarHBondContact O-N 3.01Å |
| 54 | F | 88 | Confident | 84.5 | Confident | 126 Ų | 126 | 85.6 Ų | 85.6 | 55% | 0.553 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 177.8 | -172.6 | -98.3 | 0 | 0 | 0 | 111.6 | F50 G57 M58 | F50-F54 VanDerWaalsContact O-CB 3.23Å; F50-F54 WeakPolarHBondContact O-CB 3.48Å; F50-F54 PolarHBondContact O-N 3.06Å; F54-G57 PolarHBondContact O-N 3.47Å; F54-M58 HydrophobicContact CE1-CE 4.25Å; F54-M58 HydrophobicContact CE1-SD 3.72Å; F54-M58 HydrophobicContact CZ-CE 4.2Å; F54-M58 HydrophobicContact CZ-SD 4.17Å; F54-M58 PolarHBondContact O-N 3.45Å |
| 55 | G | 85.4 | Confident | 84.6 | Confident | 39 Ų | 39 | 82 Ų | 82 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G51 T52 G57 M58 G59 | G51-G55 PolarHBondContact O-N 3.2Å; T52-G55 PolarHBondContact O-N 3.22Å; G55-G57 VanDerWaalsContact C-N 3.34Å; G55-G57 PolarHBondContact O-N 3.17Å; G55-M58 PolarHBondContact O-N 2.97Å; G55-G59 PolarHBondContact O-N 2.97Å |
| 56 | L | 86.3 | Confident | 84.4 | Confident | 116 Ų | 116 | 81.3 Ų | 81.3 | 61% | 0.607 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.7 | -45.9 | 174 | -79.1 | 163.9 | 0 | 0 | 0 | 111 | T52 G59 I60 | T52-L56 VanDerWaalsContact O-CB 3.28Å; T52-L56 WeakPolarHBondContact O-CB 3.26Å; T52-L56 WeakPolarHBondContact O-CD1 3.16Å; T52-L56 VanDerWaalsContact O-CG 3.24Å; T52-L56 WeakPolarHBondContact O-CG 2.99Å; T52-L56 PolarHBondContact O-N 3.42Å; L56-G59 PolarHBondContact O-N 3.14Å; L56-I60 WeakPolarHBondContact O-CB 3.15Å; L56-I60 WeakPolarHBondContact O-CD1 3.17Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 3.42Å; L56-I60 VanDerWaalsContact O-N 3.08Å |
| 57 | G | 88 | Confident | 83.7 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 40% | 0.402 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G53 F54 G55 S61 | G53-G57 PolarHBondContact O-N 3.01Å; F54-G57 PolarHBondContact O-N 3.47Å; G55-G57 VanDerWaalsContact C-N 3.34Å; G55-G57 PolarHBondContact O-N 3.17Å; G57-S61 WeakPolarHBondContact O-CB 3.26Å; G57-S61 PolarHBondContact O-N 3.01Å; G57-S61 PolarHBondContact O-OG 3.08Å |
| 58 | M | 84.7 | Confident | 82.9 | Confident | 111 Ų | 111 | 80.7 Ų | 80.7 | 55% | 0.547 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 179.2 | -126 | -178.5 | -174.7 | 0 | 0 | 112 | F54 G55 S61 N62 | F54-M58 HydrophobicContact CE1-CE 4.25Å; F54-M58 HydrophobicContact CE1-SD 3.72Å; F54-M58 HydrophobicContact CZ-CE 4.2Å; F54-M58 HydrophobicContact CZ-SD 4.17Å; F54-M58 PolarHBondContact O-N 3.45Å; G55-M58 PolarHBondContact O-N 2.97Å; M58-S61 WeakPolarHBondContact CA-OG 3.2Å; M58-S61 PolarHBondContact O-N 3.21Å; M58-S61 PolarHBondContact O-OG 2.93Å; M58-N62 WeakPolarHBondContact O-CB 3.49Å; M58-N62 PolarHBondContact O-N 3.39Å |
| 59 | G | 84.5 | Confident | 81.8 | Confident | 22 Ų | 22 | 81.2 Ų | 81.2 | 23% | 0.227 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G55 L56 S61 N62 C63 | G55-G59 PolarHBondContact O-N 2.97Å; L56-G59 PolarHBondContact O-N 3.14Å; G59-S61 PolarHBondContact O-N 3.48Å; G59-N62 PolarHBondContact O-N 2.87Å; G59-C63 PolarHBondContact O-N 2.05Å; G59-C63 VanDerWaalsContact O-N 3.14Å |
| 60 | I | 84.9 | Confident | 80.2 | Confident | 119 Ų | 119 | 81.3 Ų | 81.3 | 61% | 0.61 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 178.9 | -66.7 | 166 | 0 | 0 | 0 | 111 | L56 N64 | L56-I60 WeakPolarHBondContact O-CB 3.15Å; L56-I60 WeakPolarHBondContact O-CD1 3.17Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 3.42Å; L56-I60 VanDerWaalsContact O-N 3.08Å; I60-N64 WeakPolarHBondContact O-CB 3.03Å; I60-N64 PolarHBondContact O-N 2.77Å |
| 61 | S | 85.6 | Confident | 78.5 | Confident | 67 Ų | 67 | 81.6 Ų | 81.6 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.2 | -37.7 | 179.2 | 50.3 | 0 | 0 | 0 | 0 | 113 | G57 M58 G59 N64 N65 | G57-S61 WeakPolarHBondContact O-CB 3.26Å; G57-S61 PolarHBondContact O-N 3.01Å; G57-S61 PolarHBondContact O-OG 3.08Å; M58-S61 WeakPolarHBondContact CA-OG 3.2Å; M58-S61 PolarHBondContact O-N 3.21Å; M58-S61 PolarHBondContact O-OG 2.93Å; G59-S61 PolarHBondContact O-N 3.48Å; S61-N64 PolarHBondContact O-N 3.46Å; S61-N65 WeakPolarHBondContact O-CB 3.23Å; S61-N65 PolarHBondContact O-N 3.27Å |
| 62 | N | 82.5 | Confident | 76.9 | Confident | 72 Ų | 72 | 85.5 Ų | 85.5 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.1 | -160.5 | 48.1 | 0 | 0 | 0 | 111.1 | T22 M58 G59 N65 D66 | T22-N62 PolarHBondContact OG1-ND2 2.92Å; M58-N62 WeakPolarHBondContact O-CB 3.49Å; M58-N62 PolarHBondContact O-N 3.39Å; G59-N62 PolarHBondContact O-N 2.87Å; N62-N65 PolarHBondContact O-N 2.81Å; N62-D66 PolarHBondContact O-N 3.48Å; N62-D66 VanDerWaalsContact O-N 3.17Å |
| 63 | C | 81 | Confident | 75.3 | Confident | 16 Ų | 16 | 87.7 Ų | 87.7 | 11% | 0.108 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 112.6 | C18 G59 N65 D66 F67 | C18-C63 HydrophobicContact CB-CB 4.03Å; C18-C63 WeakPolarHBondContact CB-SG 3.14Å; C18-C63 WeakPolarHBondContact SG-CA 2.89Å; C18-C63 WeakPolarHBondContact SG-CB 3.36Å; C18-C63 CovalentContact SG-SG 2.05Å; C18-C63 PolarHBondContact SG-SG 3.28Å; G59-C63 PolarHBondContact O-N 2.05Å; G59-C63 VanDerWaalsContact O-N 3.14Å; C63-N65 PolarHBondContact O-N 2.81Å; C63-D66 PolarHBondContact O-N 2.76Å; C63-F67 HydrophobicContact CB-CD2 4.32Å; C63-F67 HydrophobicContact CB-CE2 4.06Å; C63-F67 WeakPolarHBondContact O-CD2 3.48Å; C63-F67 PolarHBondContact O-N 2.93Å |
| 64 | N | 81.3 | Confident | 73.5 | Confident | 85 Ų | 85 | 91.5 Ų | 91.5 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.8 | -34.4 | 178.7 | -174.6 | 56.6 | 0 | 0 | 0 | 112.4 | I60 S61 F67 K68 | I60-N64 WeakPolarHBondContact O-CB 3.03Å; I60-N64 PolarHBondContact O-N 2.77Å; S61-N64 PolarHBondContact O-N 3.46Å; N64-F67 PolarHBondContact O-N 3.43Å; N64-K68 VanDerWaalsContact O-CB 3.23Å; N64-K68 WeakPolarHBondContact O-CB 3.3Å; N64-K68 WeakPolarHBondContact O-CG 3.49Å; N64-K68 PolarHBondContact O-N 3.07Å |
| 65 | N | 78.5 | Confident | 71.8 | Confident | 113 Ų | 113 | 90.5 Ų | 90.5 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 173 | -175.5 | 72.3 | 0 | 0 | 0 | 112.2 | S61 N62 C63 F67 K68 Q69 | S61-N65 WeakPolarHBondContact O-CB 3.23Å; S61-N65 PolarHBondContact O-N 3.27Å; N62-N65 PolarHBondContact O-N 2.81Å; C63-N65 PolarHBondContact O-N 2.81Å; N65-F67 VanDerWaalsContact C-N 3.3Å; N65-F67 PolarHBondContact O-N 2.69Å; N65-K68 PolarHBondContact O-N 3.49Å; N65-Q69 PolarHBondContact O-N 2.87Å |
| 66 | D | 73.8 | Confident | 70.1 | Confident | 65 Ų | 65 | 95.2 Ų | 95.2 | 35% | 0.348 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 175.6 | -167.6 | -104.1 | 0 | 0 | 0 | 111.9 | N62 C63 Q69 | N62-D66 PolarHBondContact O-N 3.48Å; N62-D66 VanDerWaalsContact O-N 3.17Å; C63-D66 PolarHBondContact O-N 2.76Å; D66-Q69 VanDerWaalsContact O-CG 3.26Å; D66-Q69 WeakPolarHBondContact O-CG 3.1Å; D66-Q69 PolarHBondContact O-NE2 2.63Å; D66-Q69 PolarHBondContact OD2-NE2 3.32Å |
| 67 | F | 69.5 | Low | 68.5 | Low | 65 Ų | 65 | 100.3 Ų | 100.3 | 29% | 0.285 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.8 | -35.4 | 173.2 | -71.4 | -74.2 | 0 | 0 | 0 | 113.7 | L11 K14 C63 N64 N65 Q69 | L11-F67 HydrophobicContact CD1-CE1 4.4Å; K14-F67 HydrophobicContact CB-CD1 4.35Å; K14-F67 HydrophobicContact CB-CE1 3.34Å; K14-F67 HydrophobicContact CB-CZ 3.67Å; K14-F67 HydrophobicContact CD-CD1 3.81Å; K14-F67 HydrophobicContact CD-CE1 3.48Å; K14-F67 VanDerWaalsContact CD-CE1 3.48Å; K14-F67 HydrophobicContact CG-CE1 4.06Å; C63-F67 HydrophobicContact CB-CD2 4.32Å; C63-F67 HydrophobicContact CB-CE2 4.06Å; C63-F67 WeakPolarHBondContact O-CD2 3.48Å; C63-F67 PolarHBondContact O-N 2.93Å; N64-F67 PolarHBondContact O-N 3.43Å; N65-F67 VanDerWaalsContact C-N 3.3Å; N65-F67 PolarHBondContact O-N 2.69Å; F67-Q69 VanDerWaalsContact C-N 3.31Å; F67-Q69 PolarHBondContact O-N 3.01Å |
| 68 | K | 66.5 | Low | 66.5 | Low | 138 Ų | 138 | 104.3 Ų | 104.3 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73 | -19.9 | -177.6 | -95.7 | 176.8 | 174.2 | -74.5 | 0 | 113.6 | N64 N65 P70 | N64-K68 VanDerWaalsContact O-CB 3.23Å; N64-K68 WeakPolarHBondContact O-CB 3.3Å; N64-K68 WeakPolarHBondContact O-CG 3.49Å; N64-K68 PolarHBondContact O-N 3.07Å; N65-K68 PolarHBondContact O-N 3.49Å; K68-P70 WeakPolarHBondContact O-CD 3.09Å; K68-P70 WeakPolarHBondContact O-CG 2.92Å |
| 69 | Q | 61.3 | Low | 65.1 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | trans | -56.5 | 101 | 173.9 | 82.5 | -168.4 | -97.6 | 0 | 0 | 107.8 | N65 D66 F67 L71 | N65-Q69 PolarHBondContact O-N 2.87Å; D66-Q69 VanDerWaalsContact O-CG 3.26Å; D66-Q69 WeakPolarHBondContact O-CG 3.1Å; D66-Q69 PolarHBondContact O-NE2 2.63Å; D66-Q69 PolarHBondContact OD2-NE2 3.32Å; F67-Q69 VanDerWaalsContact C-N 3.31Å; F67-Q69 PolarHBondContact O-N 3.01Å; Q69-L71 PolarHBondContact O-N 3.23Å; Q69-L71 VanDerWaalsContact O-N 3.07Å | ||
| 70 | P | 52.4 | Low | 63.6 | Low | 114 Ų | 114 | 107.7 Ų | 107.7 | 74% | 0.74 | 58% | 0.579 | S | S | * | * | trans | -95.7 | 68.4 | -168.9 | 32.8 | -18.3 | 0 | 0 | 0 | 105.1 | K68 | K68-P70 WeakPolarHBondContact O-CD 3.09Å; K68-P70 WeakPolarHBondContact O-CG 2.92Å | ||
| 71 | L | 52 | Low | 62.5 | Low | 125 Ų | 125 | 106.4 Ų | 106.4 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | trans | -130.8 | 118.9 | 174.3 | -71.2 | 172.8 | 0 | 0 | 0 | 108.8 | Q69 L73 | Q69-L71 PolarHBondContact O-N 3.23Å; Q69-L71 VanDerWaalsContact O-N 3.07Å; L71-L73 HydrophobicContact CB-CD2 4.3Å; L71-L73 HydrophobicContact CB-CG 4.26Å; L71-L73 PolarHBondContact O-N 2.75Å | ||
| 72 | P | 52.7 | Low | 61.2 | Low | 120 Ų | 120 | 109.1 Ų | 109.1 | 78% | 0.779 | 59% | 0.59 | S | S | * | * | trans | -72.5 | 66.3 | 169.8 | 34.6 | -33.2 | 0 | 0 | 0 | 107.1 | V74 | P72-V74 PolarHBondContact O-N 3.29Š| ||
| 73 | L | 53 | Low | 59.6 | Low | 132 Ų | 132 | 111 Ų | 111 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | trans | -74.1 | 100.5 | 157.3 | -56.8 | -155.3 | 0 | 0 | 0 | 102.7 | L71 S75 | L71-L73 HydrophobicContact CB-CD2 4.3Å; L71-L73 HydrophobicContact CB-CG 4.26Å; L71-L73 PolarHBondContact O-N 2.75Å; L73-S75 PolarHBondContact O-N 2.77Å | ||
| 74 | V | 52.5 | Low | 58.1 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 75% | 0.745 | 63% | 0.627 | S | S | * | * | trans | -43.2 | 75.8 | 138.1 | 177.1 | 0 | 0 | 0 | 0 | 105.7 | P72 H76 | P72-V74 PolarHBondContact O-N 3.29Å; V74-H76 PolarHBondContact O-N 3.12Å | ||
| 75 | S | 52.4 | Low | 56.4 | Low | 104 Ų | 104 | 116.3 Ų | 116.3 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | trans | -76.7 | 86.3 | 175.5 | -163.6 | 0 | 0 | 0 | 0 | 101.3 | L73 R77 | L73-S75 PolarHBondContact O-N 2.77Å; S75-R77 PolarHBondContact O-N 3.07Å | ||
| 76 | H | 48.6 | Very low | 55.2 | Low | 139 Ų | 139 | 119.7 Ų | 119.7 | 64% | 0.644 | 65% | 0.645 | S | S | * | * | trans | -33.8 | 119.9 | 171.2 | -112.8 | -96.3 | 0 | 0 | 0 | 107.2 | V74 I78 | V74-H76 PolarHBondContact O-N 3.12Å; H76-I78 HydrophobicContact CB-CD1 3.97Å; H76-I78 HydrophobicContact CB-CG1 4Å; H76-I78 WeakPolarHBondContact ND1-CD1 3.39Å; H76-I78 PolarHBondContact O-N 2.92Å | ||
| 77 | R | 52.3 | Low | 53.8 | Low | 222 Ų | 222 | 124.3 Ų | 124.3 | 84% | 0.838 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -57.4 | 74.6 | 168.5 | -80.9 | -97.5 | -160.1 | -139.8 | 2.7 | 108.2 | S75 | S75-R77 PolarHBondContact O-N 3.07Š|
| 78 | I | 47.4 | Very low | 52.4 | Low | 123 Ų | 123 | 130.6 Ų | 130.6 | 63% | 0.631 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -150.5 | 88.9 | 173.2 | -25.4 | 163.1 | 0 | 0 | 0 | 106.8 | H76 | H76-I78 HydrophobicContact CB-CD1 3.97Å; H76-I78 HydrophobicContact CB-CG1 4Å; H76-I78 WeakPolarHBondContact ND1-CD1 3.39Å; H76-I78 PolarHBondContact O-N 2.92Å |
| 79 | V | 53.7 | Low | 51.1 | Low | 122 Ų | 122 | 132.4 Ų | 132.4 | 74% | 0.739 | 70% | 0.7 | S | S | * | * | trans | 57.7 | 77.1 | 150 | -166 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 80 | S | 53.8 | Low | 50 | Low | 82 Ų | 82 | 132.4 Ų | 132.4 | 57% | 0.573 | 71% | 0.713 | S | S | * | * | trans | -133.7 | 92.8 | 145.9 | -179.4 | 0 | 0 | 0 | 0 | 105.5 | N82 | S80-N82 VanDerWaalsContact C-N 3.27Š| ||
| 81 | S | 61.4 | Low | 49.7 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | cis | 55.7 | 14.8 | 29.2 | -153.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 82 | N | 58 | Low | 49.6 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | trans | -145.3 | 39.6 | 171.7 | -83.7 | -50.6 | 0 | 0 | 0 | 114.8 | S80 | S80-N82 VanDerWaalsContact C-N 3.27Š| ||
| 83 | Q | 50.4 | Low | 49.4 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 52% | 0.523 | 73% | 0.732 | S | S | . | * | trans | -133.5 | 32.8 | 154.8 | -50.8 | -84.2 | -89 | 0 | 0 | 110.3 | D21 P85 | D21-Q83 VanDerWaalsContact OD2-CB 3.3Å; D21-Q83 WeakPolarHBondContact OD2-CB 3.39Å; D21-Q83 VanDerWaalsContact OD2-CG 3.26Å; D21-Q83 WeakPolarHBondContact OD2-CG 3.49Å; D21-Q83 PolarHBondContact OD2-OE1 2.63Å; Q83-P85 WeakPolarHBondContact O-CD 3.22Å | ||
| 84 | V | 49.1 | Very low | 49.2 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | trans | -83.6 | 101.9 | 154.3 | 169.8 | 0 | 0 | 0 | 0 | 104.9 | E86 | V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 2.98Å | ||
| 85 | P | 46 | Very low | 49 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | trans | -66.6 | 102.6 | 156.6 | 21.5 | -16.5 | 0 | 0 | 0 | 106.4 | I24 Q83 E87 | I24-P85 HydrophobicContact CG2-CG 3.22Å; Q83-P85 WeakPolarHBondContact O-CD 3.22Å; P85-E87 VanDerWaalsContact C-N 3.26Å; P85-E87 PolarHBondContact O-N 3.3Å | ||
| 86 | E | 52.8 | Low | 48.8 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | -53.1 | 84.7 | 158.7 | -172.4 | -161.4 | 122.3 | 0 | 0 | 109.4 | V84 | V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 2.98Å | ||
| 87 | E | 44.2 | Very low | 48.8 | Very low | 162 Ų | 162 | 139 Ų | 139 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | -166.5 | 77.9 | 158.6 | -130.5 | -106.7 | 85.9 | 0 | 0 | 113.7 | P85 | P85-E87 VanDerWaalsContact C-N 3.26Å; P85-E87 PolarHBondContact O-N 3.3Å | ||
| 88 | K | 41 | Very low | 48.5 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | -146.2 | 77 | 129 | -98.7 | -163.7 | -170 | -66.4 | 0 | 107.1 | S90 | K88-S90 VanDerWaalsContact C-N 3.32Å; K88-S90 PolarHBondContact O-N 3.42Å | |||
| 89 | K | 37.4 | Very low | 48.6 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -62.5 | 98 | 161.3 | 179.9 | 168.6 | 177 | -72.2 | 0 | 107 | S91 | K89-S91 VanDerWaalsContact C-N 3.25Å; K89-S91 PolarHBondContact NZ-O 2.97Å; K89-S91 PolarHBondContact O-N 3.12Å | ||
| 90 | S | 39.4 | Very low | 48.2 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -73 | 80.1 | 167.7 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | K88 | K88-S90 VanDerWaalsContact C-N 3.32Å; K88-S90 PolarHBondContact O-N 3.42Å | ||
| 91 | S | 45.1 | Very low | 47.7 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 100% | 1.126 | 76% | 0.757 | S | S | * | * | trans | 167.5 | 0 | 152 | -82 | 0 | 0 | 0 | 0 | 110.6 | K89 | K89-S91 VanDerWaalsContact C-N 3.25Å; K89-S91 PolarHBondContact NZ-O 2.97Å; K89-S91 PolarHBondContact O-N 3.12Å |
Retrieved 91 of 91 residues in 221.3 ms
(Link to these results)