| 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 | 48.1 | Very low | 62.5 | Low | 236 Ų | 236 | 113.6 Ų | 113.6 | 100% | 1.163 | 64% | 0.638 | S | S | * | * | 0 | 96.2 | 0 | -67.6 | 172.2 | 174.4 | 0 | 0 | 106.8 | V3 | M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | S | 62.4 | Low | 64 | Low | 133 Ų | 133 | 112.7 Ų | 112.7 | 93% | 0.93 | 63% | 0.625 | S | S | * | * | trans | -78.1 | 92.6 | -179.9 | 18.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | V | 61 | Low | 65.6 | Low | 118 Ų | 118 | 110.6 Ų | 110.6 | 72% | 0.715 | 60% | 0.602 | S | S | * | * | trans | -89.5 | 149.7 | 165.9 | -170.1 | 0 | 0 | 0 | 0 | 107 | M1 | M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.16Å | ||
| 4 | Q | 56.3 | Low | 67.1 | Low | 168 Ų | 168 | 109.3 Ų | 109.3 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | trans | 99.1 | 55.4 | 164.2 | -48.6 | -179.2 | -52.6 | 0 | 0 | 117.2 | ||||
| 5 | D | 55.5 | Low | 68.5 | Low | 110 Ų | 110 | 110.7 Ų | 110.7 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | trans | -87.1 | 63.9 | 135 | -165.3 | -105.4 | 0 | 0 | 0 | 108 | P8 L9 | D5-P8 VanDerWaalsContact CG-CD 3.45Å; D5-P8 VanDerWaalsContact CG-CG 3.41Å; D5-P8 WeakPolarHBondContact OD1-CB 3.33Å; D5-P8 VanDerWaalsContact OD1-CD 3.23Å; D5-P8 WeakPolarHBondContact OD1-CD 3.36Å; D5-P8 WeakPolarHBondContact OD1-CG 3.42Å; D5-P8 WeakPolarHBondContact OD2-CD 3.2Å; D5-P8 WeakPolarHBondContact OD2-CG 3.16Å; D5-L9 WeakPolarHBondContact O-CD1 3.19Å | ||
| 6 | D | 59.2 | Low | 69.9 | Low | 122 Ų | 122 | 104 Ų | 104 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | trans | -90.5 | -9.1 | -174 | -149.9 | -111.4 | 0 | 0 | 0 | 112.7 | ||||
| 7 | V | 60.6 | Low | 71.1 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 69% | 0.685 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -97.7 | -36.3 | -175.6 | -176.6 | 0 | 0 | 0 | 0 | 114 | L9 L10 | V7-L9 PolarHBondContact O-N 2.88Å; V7-L10 PolarHBondContact O-N 2.92Å |
| 8 | P | 57.3 | Low | 72.3 | Confident | 47 Ų | 47 | 98.7 Ų | 98.7 | 31% | 0.305 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -21 | 179.4 | -27.5 | 41.3 | 0 | 0 | 0 | 113.9 | D5 L10 S11 E12 | D5-P8 VanDerWaalsContact CG-CD 3.45Å; D5-P8 VanDerWaalsContact CG-CG 3.41Å; D5-P8 WeakPolarHBondContact OD1-CB 3.33Å; D5-P8 VanDerWaalsContact OD1-CD 3.23Å; D5-P8 WeakPolarHBondContact OD1-CD 3.36Å; D5-P8 WeakPolarHBondContact OD1-CG 3.42Å; D5-P8 WeakPolarHBondContact OD2-CD 3.2Å; D5-P8 WeakPolarHBondContact OD2-CG 3.16Å; P8-L10 PolarHBondContact O-N 3.49Å; P8-S11 PolarHBondContact O-N 3.01Å; P8-S11 PolarHBondContact O-OG 2.9Å; P8-S11 VanDerWaalsContact O-OG 3.05Å; P8-E12 WeakPolarHBondContact O-CG 3.22Å; P8-E12 PolarHBondContact O-N 3.21Å; P8-E12 VanDerWaalsContact O-N 3.13Å |
| 9 | L | 68.7 | Low | 73.3 | Confident | 50 Ų | 50 | 93.7 Ų | 93.7 | 26% | 0.262 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -28.2 | 177.5 | -79.7 | 82.3 | 0 | 0 | 0 | 112.4 | D5 V7 R13 | D5-L9 WeakPolarHBondContact O-CD1 3.19Å; V7-L9 PolarHBondContact O-N 2.88Å; L9-R13 WeakPolarHBondContact O-CB 3.28Å; L9-R13 PolarHBondContact O-N 3.11Å |
| 10 | L | 77.4 | Confident | 74.2 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 40% | 0.398 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.9 | -46.3 | 179.9 | -70.4 | 171.2 | 0 | 0 | 0 | 111.8 | V7 P8 R13 K14 L82 | V7-L10 PolarHBondContact O-N 2.92Å; P8-L10 PolarHBondContact O-N 3.49Å; L10-R13 PolarHBondContact O-N 3.45Å; L10-K14 WeakPolarHBondContact O-CB 3.38Å; L10-K14 WeakPolarHBondContact O-CG 3.49Å; L10-K14 PolarHBondContact O-N 3.17Å; L10-L82 HydrophobicContact CD2-CD2 4.39Å |
| 11 | S | 80.7 | Confident | 75.1 | Confident | 77 Ų | 77 | 89.3 Ų | 89.3 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.6 | -41.4 | 179.8 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | P8 R13 K14 K15 | P8-S11 PolarHBondContact O-N 3.01Å; P8-S11 PolarHBondContact O-OG 2.9Å; P8-S11 VanDerWaalsContact O-OG 3.05Å; S11-R13 VanDerWaalsContact C-N 3.32Å; S11-R13 PolarHBondContact O-N 2.71Å; S11-K14 PolarHBondContact O-N 3.02Å; S11-K15 PolarHBondContact O-N 2.93Å |
| 12 | E | 80.9 | Confident | 77.3 | Confident | 102 Ų | 102 | 82.8 Ų | 82.8 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 171.7 | -69.5 | -165.4 | 113.9 | 0 | 0 | 111.5 | P8 K15 C16 | P8-E12 WeakPolarHBondContact O-CG 3.22Å; P8-E12 PolarHBondContact O-N 3.21Å; P8-E12 VanDerWaalsContact O-N 3.13Å; E12-K15 PolarHBondContact O-N 3.34Å; E12-C16 WeakPolarHBondContact O-CB 3.23Å; E12-C16 PolarHBondContact O-N 3.23Å |
| 13 | R | 84.3 | Confident | 78.7 | Confident | 86 Ų | 86 | 76.6 Ų | 76.6 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.1 | -179 | 179.9 | -74.5 | 175.8 | 0.2 | 111.9 | L9 L10 S11 K15 C16 W17 | L9-R13 WeakPolarHBondContact O-CB 3.28Å; L9-R13 PolarHBondContact O-N 3.11Å; L10-R13 PolarHBondContact O-N 3.45Å; S11-R13 VanDerWaalsContact C-N 3.32Å; S11-R13 PolarHBondContact O-N 2.71Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.88Å; R13-C16 WeakPolarHBondContact O-CB 3.36Å; R13-C16 PolarHBondContact O-N 3.22Å; R13-W17 HydrophobicContact CG-CD2 4.15Å; R13-W17 HydrophobicContact CG-CZ2 3.9Å; R13-W17 PolarHBondContact O-N 2.71Å |
| 14 | K | 87.5 | Confident | 80.1 | Confident | 92 Ų | 92 | 72.5 Ų | 72.5 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 174.7 | -77.5 | 176.8 | -179.1 | 177.2 | 0 | 110.7 | L10 S11 W17 S18 E84 | L10-K14 WeakPolarHBondContact O-CB 3.38Å; L10-K14 WeakPolarHBondContact O-CG 3.49Å; L10-K14 PolarHBondContact O-N 3.17Å; S11-K14 PolarHBondContact O-N 3.02Å; K14-W17 PolarHBondContact O-N 2.84Å; K14-S18 PolarHBondContact O-N 3.38Å; K14-E84 PolarHBondContact NZ-OXT 3.16Å |
| 15 | K | 88.1 | Confident | 81.8 | Confident | 131 Ų | 131 | 68.2 Ų | 68.2 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61 | -48.3 | 174.8 | -171.1 | -178.4 | -179.5 | -177.8 | 0 | 111.7 | S11 E12 R13 W17 S18 S19 S47 | S11-K15 PolarHBondContact O-N 2.93Å; E12-K15 PolarHBondContact O-N 3.34Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.88Å; K15-W17 VanDerWaalsContact C-N 3.32Å; K15-W17 PolarHBondContact O-N 3.26Å; K15-S18 WeakPolarHBondContact O-CB 3.19Å; K15-S18 PolarHBondContact O-N 3.48Å; K15-S18 VanDerWaalsContact O-N 3.14Å; K15-S19 PolarHBondContact O-N 2.94Å; K15-S47 WeakPolarHBondContact CE-OG 3.4Å |
| 16 | C | 90 | Very high | 83.6 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.9 | -46.2 | 176.4 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | E12 R13 S19 R20 C48 | E12-C16 WeakPolarHBondContact O-CB 3.23Å; E12-C16 PolarHBondContact O-N 3.23Å; R13-C16 WeakPolarHBondContact O-CB 3.36Å; R13-C16 PolarHBondContact O-N 3.22Å; C16-S19 PolarHBondContact O-N 2.97Å; C16-R20 WeakPolarHBondContact O-CB 3.38Å; C16-R20 PolarHBondContact O-N 2.99Å; C16-C48 VanDerWaalsContact C-SG 3.58Å; C16-C48 WeakPolarHBondContact CA-SG 3.49Å; C16-C48 HydrophobicContact CB-CB 3.89Å; C16-C48 WeakPolarHBondContact CB-SG 3.3Å; C16-C48 PolarHBondContact O-SG 2.85Å; C16-C48 VanDerWaalsContact O-SG 3.38Å; C16-C48 WeakPolarHBondContact SG-CB 3.48Å; C16-C48 CovalentContact SG-SG 2.01Å; C16-C48 PolarHBondContact SG-SG 3.09Å |
| 17 | W | 90.9 | Very high | 85.1 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 19% | 0.186 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 177.6 | -70.3 | -3.8 | 0 | 0 | 0 | 113 | R13 K14 K15 R20 D21 F56 L82 | R13-W17 HydrophobicContact CG-CD2 4.15Å; R13-W17 HydrophobicContact CG-CZ2 3.9Å; R13-W17 PolarHBondContact O-N 2.71Å; K14-W17 PolarHBondContact O-N 2.84Å; K15-W17 VanDerWaalsContact C-N 3.32Å; K15-W17 PolarHBondContact O-N 3.26Å; W17-R20 WeakPolarHBondContact O-CB 3.5Å; W17-R20 PolarHBondContact O-N 3.25Å; W17-D21 WeakPolarHBondContact O-CB 3.04Å; W17-D21 PolarHBondContact O-N 2.9Å; W17-F56 AromaticContact NE1-CZ 3.99Å; W17-L82 HydrophobicContact CH2-CB 3.82Å; W17-L82 HydrophobicContact CH2-CD2 4.35Å; W17-L82 HydrophobicContact CZ3-CB 3.44Å; W17-L82 VanDerWaalsContact CZ3-CB 3.44Å |
| 18 | S | 92.4 | Very high | 86.5 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | K14 K15 R20 D21 K22 | K14-S18 PolarHBondContact O-N 3.38Å; K15-S18 WeakPolarHBondContact O-CB 3.19Å; K15-S18 PolarHBondContact O-N 3.48Å; K15-S18 VanDerWaalsContact O-N 3.14Å; S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 3.49Å; S18-D21 WeakPolarHBondContact O-CB 3.44Å; S18-D21 PolarHBondContact O-N 3.05Å; S18-K22 WeakPolarHBondContact O-CG 3.26Å; S18-K22 PolarHBondContact O-N 2.8Å; S18-K22 VanDerWaalsContact O-N 3.1Å |
| 19 | S | 92.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -33.7 | 175.7 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | K15 C16 D21 Y23 E43 | K15-S19 PolarHBondContact O-N 2.94Å; C16-S19 PolarHBondContact O-N 2.97Å; S19-D21 VanDerWaalsContact C-N 3.35Å; S19-Y23 WeakPolarHBondContact O-CB 3.05Å; S19-Y23 PolarHBondContact O-N 3.03Å; S19-E43 WeakPolarHBondContact OG-CG 3.02Å; S19-E43 PolarHBondContact OG-OE1 3.45Å |
| 20 | R | 91.5 | Very high | 89.3 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 171.2 | -175.1 | -156.4 | 67.9 | -145.5 | -4 | 111 | C16 W17 S18 Y23 W24 F44 F56 | C16-R20 WeakPolarHBondContact O-CB 3.38Å; C16-R20 PolarHBondContact O-N 2.99Å; W17-R20 WeakPolarHBondContact O-CB 3.5Å; W17-R20 PolarHBondContact O-N 3.25Å; S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 3.49Å; R20-Y23 WeakPolarHBondContact O-CB 3.38Å; R20-Y23 PolarHBondContact O-N 2.8Å; R20-Y23 VanDerWaalsContact O-N 3.16Å; R20-W24 HydrophobicContact CG-CD2 4.1Å; R20-W24 HydrophobicContact CG-CG 4.32Å; R20-W24 HydrophobicContact CG-CZ2 4.19Å; R20-W24 WeakPolarHBondContact O-CB 3.4Å; R20-W24 PolarHBondContact O-N 3.07Å; R20-F44 HydrophobicContact CB-CD2 3.82Å; R20-F44 HydrophobicContact CB-CE2 3.6Å; R20-F44 HydrophobicContact CG-CE2 3.96Å; R20-F44 HydrophobicContact CG-CZ 4.42Å; R20-F56 VanDerWaalsContact CD-CD1 3.46Å; R20-F56 VanDerWaalsContact CD-CE1 3.49Å; R20-F56 HydrophobicContact CG-CD1 4.37Å; R20-F56 HydrophobicContact CG-CD2 4.25Å; R20-F56 HydrophobicContact CG-CG 4.15Å |
| 21 | D | 92.1 | Very high | 89.6 | Confident | 87 Ų | 87 | 64 Ų | 64 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | -177.9 | -155.9 | -103.5 | 0 | 0 | 0 | 111.4 | W17 S18 S19 Y23 W24 S25 | W17-D21 WeakPolarHBondContact O-CB 3.04Å; W17-D21 PolarHBondContact O-N 2.9Å; S18-D21 WeakPolarHBondContact O-CB 3.44Å; S18-D21 PolarHBondContact O-N 3.05Å; S19-D21 VanDerWaalsContact C-N 3.35Å; D21-Y23 VanDerWaalsContact C-N 3.32Å; D21-Y23 PolarHBondContact O-N 2.74Å; D21-W24 PolarHBondContact O-N 3.21Å; D21-S25 VanDerWaalsContact O-CB 3.28Å; D21-S25 WeakPolarHBondContact O-CB 3.41Å; D21-S25 PolarHBondContact O-N 3.48Å |
| 22 | K | 93.4 | Very high | 89.8 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.4 | -43 | 171.6 | -64.8 | 179 | -168.3 | 170.7 | 0 | 112.5 | S18 C26 Q40 E43 | S18-K22 WeakPolarHBondContact O-CG 3.26Å; S18-K22 PolarHBondContact O-N 2.8Å; S18-K22 VanDerWaalsContact O-N 3.1Å; K22-C26 WeakPolarHBondContact O-CB 3.5Å; K22-C26 PolarHBondContact O-N 3.17Å; K22-Q40 HydrophobicContact CB-CG 4.44Å; K22-E43 IonicContact NZ-OE1 2.75Å; K22-E43 PolarHBondContact NZ-OE1 3.5Å; K22-E43 IonicContact NZ-OE2 3.94Å; K22-E43 PolarHBondContact NZ-OE2 2.71Å |
| 23 | Y | 92.7 | Very high | 90.1 | Very high | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 179.1 | 178.7 | -126 | 0 | 0 | 0 | 111.4 | S19 R20 D21 C26 L27 E34 C37 Q40 R41 F44 | S19-Y23 WeakPolarHBondContact O-CB 3.05Å; S19-Y23 PolarHBondContact O-N 3.03Å; R20-Y23 WeakPolarHBondContact O-CB 3.38Å; R20-Y23 PolarHBondContact O-N 2.8Å; R20-Y23 VanDerWaalsContact O-N 3.16Å; D21-Y23 VanDerWaalsContact C-N 3.32Å; D21-Y23 PolarHBondContact O-N 2.74Å; Y23-C26 PolarHBondContact O-N 3.02Å; Y23-L27 HydrophobicContact CD1-CD1 3.74Å; Y23-L27 HydrophobicContact CD2-CD1 4.22Å; Y23-L27 HydrophobicContact CD2-CG 4.22Å; Y23-L27 HydrophobicContact CE1-CD1 3.37Å; Y23-L27 HydrophobicContact CE1-CG 4.28Å; Y23-L27 HydrophobicContact CE2-CD1 3.87Å; Y23-L27 HydrophobicContact CE2-CD2 4.05Å; Y23-L27 HydrophobicContact CE2-CG 3.86Å; Y23-L27 HydrophobicContact CG-CD1 4.15Å; Y23-L27 VanDerWaalsContact CZ-CD1 3.43Å; Y23-L27 WeakPolarHBondContact O-CB 3.26Å; Y23-L27 VanDerWaalsContact O-CG 3.26Å; Y23-L27 WeakPolarHBondContact O-CG 2.91Å; Y23-L27 PolarHBondContact O-N 2.9Å; Y23-E34 WeakPolarHBondContact OH-CB 3.37Å; Y23-E34 WeakPolarHBondContact OH-CG 3.5Å; Y23-E34 PolarHBondContact OH-OE1 2.75Å; Y23-C37 HydrophobicContact CD2-CB 3.87Å; Y23-C37 HydrophobicContact CE2-CB 3.71Å; Y23-Q40 HydrophobicContact CD2-CB 4.06Å; Y23-R41 HydrophobicContact CD2-CB 4.08Å; Y23-R41 HydrophobicContact CE2-CB 3.7Å; Y23-R41 HydrophobicContact CE2-CG 4.24Å; Y23-R41 PolarHBondContact OH-NH1 3.16Å; Y23-F44 HydrophobicContact CD1-CD1 4.12Å |
| 24 | W | 90.6 | Very high | 90.2 | Very high | 33 Ų | 33 | 57 Ų | 57 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 177.3 | -74.1 | 9.6 | 0 | 0 | 0 | 112.6 | R20 D21 C26 L27 D28 F56 K59 Y60 | R20-W24 HydrophobicContact CG-CD2 4.1Å; R20-W24 HydrophobicContact CG-CG 4.32Å; R20-W24 HydrophobicContact CG-CZ2 4.19Å; R20-W24 WeakPolarHBondContact O-CB 3.4Å; R20-W24 PolarHBondContact O-N 3.07Å; D21-W24 PolarHBondContact O-N 3.21Å; W24-C26 VanDerWaalsContact C-N 3.33Å; W24-C26 PolarHBondContact O-N 3.44Å; W24-L27 WeakPolarHBondContact O-CB 3.38Å; W24-L27 PolarHBondContact O-N 3.32Å; W24-D28 WeakPolarHBondContact O-CB 3.35Å; W24-D28 PolarHBondContact O-N 3.11Å; W24-F56 HydrophobicContact CH2-CD1 4.15Å; W24-F56 HydrophobicContact CZ2-CB 4.22Å; W24-F56 AromaticContact CZ2-CD1 3.77Å; W24-F56 HydrophobicContact CZ2-CD1 3.77Å; W24-F56 HydrophobicContact CZ2-CG 4.35Å; W24-K59 HydrophobicContact CH2-CD 3.81Å; W24-K59 HydrophobicContact CZ2-CD 4.17Å; W24-Y60 HydrophobicContact CG-CD2 4.47Å |
| 25 | S | 92 | Very high | 90.4 | Very high | 78 Ų | 78 | 56.8 Ų | 56.8 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.3 | 174 | 0 | 0 | 0 | 0 | 111.6 | D21 D28 D29 | D21-S25 VanDerWaalsContact O-CB 3.28Å; D21-S25 WeakPolarHBondContact O-CB 3.41Å; D21-S25 PolarHBondContact O-N 3.48Å; S25-D28 PolarHBondContact O-N 3.15Å; S25-D29 WeakPolarHBondContact O-CB 3.44Å; S25-D29 PolarHBondContact O-N 3.23Å; S25-D29 VanDerWaalsContact O-N 3.13Å |
| 26 | C | 93.7 | Very high | 90.5 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 173.2 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | K22 Y23 W24 D28 D29 N30 C37 Q40 | K22-C26 WeakPolarHBondContact O-CB 3.5Å; K22-C26 PolarHBondContact O-N 3.17Å; Y23-C26 PolarHBondContact O-N 3.02Å; W24-C26 VanDerWaalsContact C-N 3.33Å; W24-C26 PolarHBondContact O-N 3.44Å; C26-D28 PolarHBondContact O-N 3.43Å; C26-D29 PolarHBondContact O-N 2.97Å; C26-N30 VanDerWaalsContact O-CB 3.31Å; C26-N30 WeakPolarHBondContact O-CB 3.4Å; C26-N30 PolarHBondContact O-N 3.46Å; C26-N30 PolarHBondContact O-ND2 3.07Å; C26-C37 HydrophobicContact CB-CB 3.8Å; C26-C37 WeakPolarHBondContact CB-SG 3.33Å; C26-C37 PolarHBondContact O-SG 3.13Å; C26-C37 VanDerWaalsContact SG-CA 3.5Å; C26-C37 WeakPolarHBondContact SG-CB 3.5Å; C26-C37 CovalentContact SG-SG 2.03Å; C26-C37 PolarHBondContact SG-SG 3.36Å; C26-Q40 HydrophobicContact CB-CG 4.39Å; C26-Q40 PolarHBondContact SG-NE2 2.96Å; C26-Q40 VanDerWaalsContact SG-NE2 3.37Å |
| 27 | L | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 178.4 | -75 | 169.5 | 0 | 0 | 0 | 111.5 | Y23 W24 N30 N31 G32 E34 C37 Y60 | Y23-L27 HydrophobicContact CD1-CD1 3.74Å; Y23-L27 HydrophobicContact CD2-CD1 4.22Å; Y23-L27 HydrophobicContact CD2-CG 4.22Å; Y23-L27 HydrophobicContact CE1-CD1 3.37Å; Y23-L27 HydrophobicContact CE1-CG 4.28Å; Y23-L27 HydrophobicContact CE2-CD1 3.87Å; Y23-L27 HydrophobicContact CE2-CD2 4.05Å; Y23-L27 HydrophobicContact CE2-CG 3.86Å; Y23-L27 HydrophobicContact CG-CD1 4.15Å; Y23-L27 VanDerWaalsContact CZ-CD1 3.43Å; Y23-L27 WeakPolarHBondContact O-CB 3.26Å; Y23-L27 VanDerWaalsContact O-CG 3.26Å; Y23-L27 WeakPolarHBondContact O-CG 2.91Å; Y23-L27 PolarHBondContact O-N 2.9Å; W24-L27 WeakPolarHBondContact O-CB 3.38Å; W24-L27 PolarHBondContact O-N 3.32Å; L27-N30 CarbonylContact O-C 3.25Å; L27-N30 VanDerWaalsContact O-C 3.25Å; L27-N30 WeakPolarHBondContact O-CA 3.48Å; L27-N30 PolarHBondContact O-N 3.44Å; L27-N31 PolarHBondContact O-N 3.32Å; L27-G32 WeakPolarHBondContact O-CA 3.23Å; L27-G32 PolarHBondContact O-N 2.95Å; L27-E34 HydrophobicContact CD2-CB 4.24Å; L27-E34 HydrophobicContact CD2-CG 3.83Å; L27-C37 HydrophobicContact CD2-CB 4.47Å; L27-C37 PolarHBondContact N-SG 3.37Å; L27-C37 VanDerWaalsContact N-SG 3.45Å; L27-Y60 HydrophobicContact CB-CE1 4.11Å; L27-Y60 HydrophobicContact CB-CE2 3.94Å; L27-Y60 WeakPolarHBondContact CB-OH 3.19Å; L27-Y60 HydrophobicContact CD1-CD1 3.8Å; L27-Y60 HydrophobicContact CD1-CD2 3.98Å; L27-Y60 HydrophobicContact CD1-CE1 3.67Å; L27-Y60 HydrophobicContact CD1-CE2 3.86Å; L27-Y60 HydrophobicContact CD1-CG 3.97Å; L27-Y60 HydrophobicContact CD2-CE1 4.14Å; L27-Y60 HydrophobicContact CG-CE1 4.21Å |
| 28 | D | 89 | Confident | 90.7 | Very high | 122 Ų | 122 | 60.7 Ų | 60.7 | 65% | 0.652 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.7 | -49.1 | 177.8 | -167.3 | -113.3 | 0 | 0 | 0 | 111.2 | W24 S25 C26 N30 N31 | W24-D28 WeakPolarHBondContact O-CB 3.35Å; W24-D28 PolarHBondContact O-N 3.11Å; S25-D28 PolarHBondContact O-N 3.15Å; C26-D28 PolarHBondContact O-N 3.43Å; D28-N30 PolarHBondContact O-N 3.32Å; D28-N30 VanDerWaalsContact O-N 3.17Å; D28-N31 PolarHBondContact O-N 3.42Å |
| 29 | D | 92.7 | Very high | 90.8 | Very high | 136 Ų | 136 | 65.5 Ų | 65.5 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.8 | -28.4 | 174.4 | -175.4 | -105 | 0 | 0 | 0 | 112.9 | S25 C26 | S25-D29 WeakPolarHBondContact O-CB 3.44Å; S25-D29 PolarHBondContact O-N 3.23Å; S25-D29 VanDerWaalsContact O-N 3.13Å; C26-D29 PolarHBondContact O-N 2.97Å |
| 30 | N | 92 | Very high | 90.8 | Very high | 33 Ų | 33 | 68 Ų | 68 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 22.1 | -177.2 | -70.5 | -83 | 0 | 0 | 0 | 113.8 | C26 L27 D28 G32 D33 K36 | C26-N30 VanDerWaalsContact O-CB 3.31Å; C26-N30 WeakPolarHBondContact O-CB 3.4Å; C26-N30 PolarHBondContact O-N 3.46Å; C26-N30 PolarHBondContact O-ND2 3.07Å; L27-N30 CarbonylContact O-C 3.25Å; L27-N30 VanDerWaalsContact O-C 3.25Å; L27-N30 WeakPolarHBondContact O-CA 3.48Å; L27-N30 PolarHBondContact O-N 3.44Å; D28-N30 PolarHBondContact O-N 3.32Å; D28-N30 VanDerWaalsContact O-N 3.17Å; N30-G32 PolarHBondContact O-N 3.01Å; N30-G32 VanDerWaalsContact O-N 3.15Å; N30-D33 HydrophobicContact CB-CB 4.21Å; N30-D33 VanDerWaalsContact O-CB 3.23Å; N30-D33 WeakPolarHBondContact O-CB 3.25Å; N30-D33 PolarHBondContact O-N 3.2Å; N30-K36 HydrophobicContact CB-CB 4.37Å; N30-K36 HydrophobicContact CB-CD 4.02Å; N30-K36 WeakPolarHBondContact OD1-CD 3.28Å; N30-K36 PolarHBondContact OD1-NZ 3.31Å |
| 31 | N | 85.5 | Confident | 90.8 | Very high | 122 Ų | 122 | 71 Ų | 71 | 65% | 0.652 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.1 | 178.3 | -152.8 | 94.3 | 0 | 0 | 0 | 113.9 | L27 D28 | L27-N31 PolarHBondContact O-N 3.32Å; D28-N31 PolarHBondContact O-N 3.42Å |
| 32 | G | 83.9 | Confident | 90.8 | Very high | 17 Ų | 17 | 69.7 Ų | 69.7 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 16.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L27 N30 E34 Y60 | L27-G32 WeakPolarHBondContact O-CA 3.23Å; L27-G32 PolarHBondContact O-N 2.95Å; N30-G32 PolarHBondContact O-N 3.01Å; N30-G32 VanDerWaalsContact O-N 3.15Å; G32-E34 PolarHBondContact O-N 2.88Å; G32-E34 VanDerWaalsContact O-N 3.11Å; G32-Y60 WeakPolarHBondContact CA-OH 3.4Å |
| 33 | D | 87.7 | Confident | 90.8 | Very high | 59 Ų | 59 | 68.7 Ų | 68.7 | 32% | 0.316 | 36% | 0.359 | S | S | . | . | trans | -75.3 | 100.1 | 176.1 | -163.5 | -47.3 | 0 | 0 | 0 | 112.1 | N30 T35 K36 | N30-D33 HydrophobicContact CB-CB 4.21Å; N30-D33 VanDerWaalsContact O-CB 3.23Å; N30-D33 WeakPolarHBondContact O-CB 3.25Å; N30-D33 PolarHBondContact O-N 3.2Å; D33-T35 PolarHBondContact O-N 3.34Å; D33-T35 WeakPolarHBondContact OD1-CA 3.32Å; D33-T35 WeakPolarHBondContact OD1-CB 3.21Å; D33-T35 PolarHBondContact OD1-N 2.79Å; D33-T35 PolarHBondContact OD1-OG1 2.6Å; D33-K36 HydrophobicContact CB-CD 4.37Å; D33-K36 HydrophobicContact CB-CG 4.4Å; D33-K36 PolarHBondContact O-N 2.81Å; D33-K36 PolarHBondContact OD1-N 2.8Å | ||
| 34 | E | 86.8 | Confident | 90.8 | Very high | 43 Ų | 43 | 68.7 Ų | 68.7 | 20% | 0.201 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.6 | 177.9 | -51.7 | 178.1 | 92.7 | 0 | 0 | 113.1 | Y23 L27 G32 C37 R41 R61 | Y23-E34 WeakPolarHBondContact OH-CB 3.37Å; Y23-E34 WeakPolarHBondContact OH-CG 3.5Å; Y23-E34 PolarHBondContact OH-OE1 2.75Å; L27-E34 HydrophobicContact CD2-CB 4.24Å; L27-E34 HydrophobicContact CD2-CG 3.83Å; G32-E34 PolarHBondContact O-N 2.88Å; G32-E34 VanDerWaalsContact O-N 3.11Å; E34-C37 PolarHBondContact O-N 2.55Å; E34-R41 IonicContact OE1-CZ 3.73Å; E34-R41 IonicContact OE1-NH1 3.46Å; E34-R41 PolarHBondContact OE1-NH1 3.2Å; E34-R41 IonicContact OE1-NH2 2.9Å; E34-R61 IonicContact OE1-CZ 2.8Å; E34-R61 IonicContact OE1-NH1 3.09Å; E34-R61 IonicContact OE1-NH2 3.13Å; E34-R61 PolarHBondContact OE1-NH2 2.85Å; E34-R61 IonicContact OE2-CZ 2.74Å; E34-R61 IonicContact OE2-NH1 2.71Å; E34-R61 PolarHBondContact OE2-NH1 3.38Å; E34-R61 IonicContact OE2-NH2 3.2Å; E34-R61 PolarHBondContact OE2-NH2 3.44Å |
| 35 | T | 89.7 | Confident | 90.8 | Very high | 88 Ų | 88 | 70.2 Ų | 70.2 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -26.7 | -175.9 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | D33 K38 | D33-T35 PolarHBondContact O-N 3.34Å; D33-T35 WeakPolarHBondContact OD1-CA 3.32Å; D33-T35 WeakPolarHBondContact OD1-CB 3.21Å; D33-T35 PolarHBondContact OD1-N 2.79Å; D33-T35 PolarHBondContact OD1-OG1 2.6Å; T35-K38 WeakPolarHBondContact O-CD 3.35Å; T35-K38 WeakPolarHBondContact O-CE 3.47Å; T35-K38 VanDerWaalsContact O-CG 3.3Å; T35-K38 WeakPolarHBondContact O-CG 3.47Å |
| 36 | K | 91.6 | Very high | 90.8 | Very high | 127 Ų | 127 | 71.5 Ų | 71.5 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -27.5 | 173.7 | -64.5 | -176.3 | -178.8 | 175.6 | 0 | 112.3 | N30 D33 | N30-K36 HydrophobicContact CB-CB 4.37Å; N30-K36 HydrophobicContact CB-CD 4.02Å; N30-K36 WeakPolarHBondContact OD1-CD 3.28Å; N30-K36 PolarHBondContact OD1-NZ 3.31Å; D33-K36 HydrophobicContact CB-CD 4.37Å; D33-K36 HydrophobicContact CB-CG 4.4Å; D33-K36 PolarHBondContact O-N 2.81Å; D33-K36 PolarHBondContact OD1-N 2.8Å |
| 37 | C | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 29.6 | -176.9 | -54.8 | 0 | 0 | 0 | 0 | 113.5 | Y23 C26 L27 E34 E39 Q40 R41 | Y23-C37 HydrophobicContact CD2-CB 3.87Å; Y23-C37 HydrophobicContact CE2-CB 3.71Å; C26-C37 HydrophobicContact CB-CB 3.8Å; C26-C37 WeakPolarHBondContact CB-SG 3.33Å; C26-C37 PolarHBondContact O-SG 3.13Å; C26-C37 VanDerWaalsContact SG-CA 3.5Å; C26-C37 WeakPolarHBondContact SG-CB 3.5Å; C26-C37 CovalentContact SG-SG 2.03Å; C26-C37 PolarHBondContact SG-SG 3.36Å; L27-C37 HydrophobicContact CD2-CB 4.47Å; L27-C37 PolarHBondContact N-SG 3.37Å; L27-C37 VanDerWaalsContact N-SG 3.45Å; E34-C37 PolarHBondContact O-N 2.55Å; C37-E39 VanDerWaalsContact C-N 3.31Å; C37-E39 PolarHBondContact O-N 2.81Å; C37-Q40 PolarHBondContact O-N 2.97Å; C37-R41 WeakPolarHBondContact O-CB 3.02Å; C37-R41 PolarHBondContact O-N 3.35Å |
| 38 | K | 92.3 | Very high | 90.6 | Very high | 137 Ų | 137 | 72.2 Ų | 72.2 | 60% | 0.596 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.3 | -35.7 | -176.6 | -77.3 | 172.4 | -174.9 | 174.8 | 0 | 113.1 | T35 R41 A42 | T35-K38 WeakPolarHBondContact O-CD 3.35Å; T35-K38 WeakPolarHBondContact O-CE 3.47Å; T35-K38 VanDerWaalsContact O-CG 3.3Å; T35-K38 WeakPolarHBondContact O-CG 3.47Å; K38-R41 WeakPolarHBondContact O-CB 3.48Å; K38-R41 PolarHBondContact O-N 3.4Å; K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.19Å |
| 39 | E | 93.3 | Very high | 90.6 | Very high | 165 Ų | 165 | 73 Ų | 73 | 77% | 0.771 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.1 | -49.3 | 179.9 | -63.3 | -176.7 | 89.9 | 0 | 0 | 110.9 | C37 R41 A42 E43 | C37-E39 VanDerWaalsContact C-N 3.31Å; C37-E39 PolarHBondContact O-N 2.81Å; E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 2.81Å; E39-A42 WeakPolarHBondContact O-CB 3.31Å; E39-A42 PolarHBondContact O-N 2.89Å; E39-A42 VanDerWaalsContact O-N 3.17Å; E39-E43 PolarHBondContact O-N 2.83Å |
| 40 | Q | 92.3 | Very high | 90.4 | Very high | 56 Ų | 56 | 76.2 Ų | 76.2 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 175.3 | -63.1 | 87.2 | -34.2 | 0 | 0 | 110.8 | K22 Y23 C26 C37 E43 F44 | K22-Q40 HydrophobicContact CB-CG 4.44Å; Y23-Q40 HydrophobicContact CD2-CB 4.06Å; C26-Q40 HydrophobicContact CB-CG 4.39Å; C26-Q40 PolarHBondContact SG-NE2 2.96Å; C26-Q40 VanDerWaalsContact SG-NE2 3.37Å; C37-Q40 PolarHBondContact O-N 2.97Å; Q40-E43 PolarHBondContact O-N 3.34Å; Q40-F44 WeakPolarHBondContact O-CB 3.5Å; Q40-F44 PolarHBondContact O-N 2.82Å |
| 41 | R | 92.4 | Very high | 90.3 | Very high | 71 Ų | 71 | 80 Ų | 80 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 173.1 | -171.1 | -178.4 | -176.7 | 104.1 | -0.7 | 111 | Y23 E34 C37 K38 E39 F44 V45 D57 | Y23-R41 HydrophobicContact CD2-CB 4.08Å; Y23-R41 HydrophobicContact CE2-CB 3.7Å; Y23-R41 HydrophobicContact CE2-CG 4.24Å; Y23-R41 PolarHBondContact OH-NH1 3.16Å; E34-R41 IonicContact OE1-CZ 3.73Å; E34-R41 IonicContact OE1-NH1 3.46Å; E34-R41 PolarHBondContact OE1-NH1 3.2Å; E34-R41 IonicContact OE1-NH2 2.9Å; C37-R41 WeakPolarHBondContact O-CB 3.02Å; C37-R41 PolarHBondContact O-N 3.35Å; K38-R41 WeakPolarHBondContact O-CB 3.48Å; K38-R41 PolarHBondContact O-N 3.4Å; E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 2.81Å; R41-F44 PolarHBondContact O-N 3.48Å; R41-V45 HydrophobicContact CG-CG2 4.16Å; R41-V45 WeakPolarHBondContact O-CB 3.4Å; R41-V45 WeakPolarHBondContact O-CG2 3.01Å; R41-V45 PolarHBondContact O-N 2.03Å; R41-D57 IonicContact CZ-OD2 3.7Å; R41-D57 IonicContact NH1-OD2 2.6Å; R41-D57 PolarHBondContact NH1-OD2 2.98Å; R41-D57 IonicContact NH2-OD2 3.99Å; R41-D57 PolarHBondContact NH2-OD2 3.1Å |
| 42 | A | 92.9 | Very high | 90.6 | Very high | 61 Ų | 61 | 78.3 Ų | 78.3 | 50% | 0.504 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K38 E39 F44 V45 S46 | K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.19Å; E39-A42 WeakPolarHBondContact O-CB 3.31Å; E39-A42 PolarHBondContact O-N 2.89Å; E39-A42 VanDerWaalsContact O-N 3.17Å; A42-F44 VanDerWaalsContact C-N 3.33Å; A42-F44 PolarHBondContact O-N 3.03Å; A42-V45 PolarHBondContact O-N 3.45Å; A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.37Å |
| 43 | E | 92 | Very high | 90.9 | Very high | 77 Ų | 77 | 78.2 Ų | 78.2 | 36% | 0.36 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.1 | -168.4 | -174 | 90.3 | 0 | 0 | 111.3 | S19 K22 E39 Q40 S46 S47 | S19-E43 WeakPolarHBondContact OG-CG 3.02Å; S19-E43 PolarHBondContact OG-OE1 3.45Å; K22-E43 IonicContact NZ-OE1 2.75Å; K22-E43 PolarHBondContact NZ-OE1 3.5Å; K22-E43 IonicContact NZ-OE2 3.94Å; K22-E43 PolarHBondContact NZ-OE2 2.71Å; E39-E43 PolarHBondContact O-N 2.83Å; Q40-E43 PolarHBondContact O-N 3.34Å; E43-S46 PolarHBondContact O-N 3.19Å; E43-S47 WeakPolarHBondContact O-CB 3.43Å; E43-S47 PolarHBondContact O-N 3.14Å; E43-S47 PolarHBondContact O-OG 3.37Å |
| 44 | F | 92.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 79.9 Ų | 79.9 | 1% | 0.013 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 177.8 | 171.7 | -118.2 | 0 | 0 | 0 | 112.2 | R20 Y23 Q40 R41 A42 S46 S47 C48 V53 F56 | R20-F44 HydrophobicContact CB-CD2 3.82Å; R20-F44 HydrophobicContact CB-CE2 3.6Å; R20-F44 HydrophobicContact CG-CE2 3.96Å; R20-F44 HydrophobicContact CG-CZ 4.42Å; Y23-F44 HydrophobicContact CD1-CD1 4.12Å; Q40-F44 WeakPolarHBondContact O-CB 3.5Å; Q40-F44 PolarHBondContact O-N 2.82Å; R41-F44 PolarHBondContact O-N 3.48Å; A42-F44 VanDerWaalsContact C-N 3.33Å; A42-F44 PolarHBondContact O-N 3.03Å; F44-S46 VanDerWaalsContact C-N 3.28Å; F44-S46 PolarHBondContact O-N 3.33Å; F44-S47 PolarHBondContact O-N 2.8Å; F44-C48 HydrophobicContact CD2-CB 4.38Å; F44-C48 WeakPolarHBondContact CD2-SG 3.3Å; F44-C48 HydrophobicContact CE2-CB 4.17Å; F44-C48 WeakPolarHBondContact CE2-SG 3.33Å; F44-C48 WeakPolarHBondContact O-CB 3.35Å; F44-C48 PolarHBondContact O-N 3.32Å; F44-C48 PolarHBondContact O-SG 3.08Å; F44-C48 VanDerWaalsContact O-SG 3.39Å; F44-V53 HydrophobicContact CD1-CG1 4.32Å; F44-V53 HydrophobicContact CE1-CB 4.11Å; F44-V53 HydrophobicContact CE1-CG1 3.82Å; F44-V53 HydrophobicContact CE1-CG2 4.18Å; F44-V53 HydrophobicContact CZ-CB 4.35Å; F44-V53 HydrophobicContact CZ-CG2 4.28Å; F44-F56 HydrophobicContact CE1-CB 4.45Å; F44-F56 AromaticContact CE2-CD2 3.91Å; F44-F56 HydrophobicContact CE2-CD2 3.91Å; F44-F56 HydrophobicContact CZ-CB 3.77Å; F44-F56 AromaticContact CZ-CD2 3.7Å; F44-F56 HydrophobicContact CZ-CD2 3.7Å; F44-F56 HydrophobicContact CZ-CG 4.15Å |
| 45 | V | 91.7 | Very high | 91.2 | Very high | 64 Ų | 64 | 83.1 Ų | 83.1 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 178.1 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | R41 A42 V53 | R41-V45 HydrophobicContact CG-CG2 4.16Å; R41-V45 WeakPolarHBondContact O-CB 3.4Å; R41-V45 WeakPolarHBondContact O-CG2 3.01Å; R41-V45 PolarHBondContact O-N 2.03Å; A42-V45 PolarHBondContact O-N 3.45Å; V45-V53 HydrophobicContact CG2-CG1 3.74Å; V45-V53 HydrophobicContact CG2-CG2 4.49Å |
| 46 | S | 91.7 | Very high | 91.3 | Very high | 106 Ų | 106 | 79.4 Ų | 79.4 | 74% | 0.741 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -76.2 | -37.7 | 178.1 | -176 | 0 | 0 | 0 | 0 | 112.5 | A42 E43 F44 | A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.37Å; E43-S46 PolarHBondContact O-N 3.19Å; F44-S46 VanDerWaalsContact C-N 3.28Å; F44-S46 PolarHBondContact O-N 3.33Å |
| 47 | S | 90.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 74.5 Ų | 74.5 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -85.6 | -19.1 | -176.8 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | K15 E43 F44 | K15-S47 WeakPolarHBondContact CE-OG 3.4Å; E43-S47 WeakPolarHBondContact O-CB 3.43Å; E43-S47 PolarHBondContact O-N 3.14Å; E43-S47 PolarHBondContact O-OG 3.37Å; F44-S47 PolarHBondContact O-N 2.8Å |
| 48 | C | 89.9 | Confident | 91 | Very high | 10 Ų | 10 | 82.5 Ų | 82.5 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -108.1 | 147.8 | -179.9 | -66.3 | 0 | 0 | 0 | 0 | 112 | C16 F44 W52 V53 | C16-C48 VanDerWaalsContact C-SG 3.58Å; C16-C48 WeakPolarHBondContact CA-SG 3.49Å; C16-C48 HydrophobicContact CB-CB 3.89Å; C16-C48 WeakPolarHBondContact CB-SG 3.3Å; C16-C48 PolarHBondContact O-SG 2.85Å; C16-C48 VanDerWaalsContact O-SG 3.38Å; C16-C48 WeakPolarHBondContact SG-CB 3.48Å; C16-C48 CovalentContact SG-SG 2.01Å; C16-C48 PolarHBondContact SG-SG 3.09Å; F44-C48 HydrophobicContact CD2-CB 4.38Å; F44-C48 WeakPolarHBondContact CD2-SG 3.3Å; F44-C48 HydrophobicContact CE2-CB 4.17Å; F44-C48 WeakPolarHBondContact CE2-SG 3.33Å; F44-C48 WeakPolarHBondContact O-CB 3.35Å; F44-C48 PolarHBondContact O-N 3.32Å; F44-C48 PolarHBondContact O-SG 3.08Å; F44-C48 VanDerWaalsContact O-SG 3.39Å; C48-W52 HydrophobicContact CB-CB 4.32Å; C48-V53 HydrophobicContact CB-CG2 3.58Å |
| 49 | R | 89.5 | Confident | 90.8 | Very high | 139 Ų | 139 | 77.9 Ų | 77.9 | 53% | 0.525 | 37% | 0.373 | S | S | . | . | trans | -62.1 | 143.6 | 166.2 | -55.4 | -176.8 | 177.8 | -153.6 | -3.5 | 109.6 | T51 W52 V53 | R49-T51 PolarHBondContact O-N 2.92Å; R49-T51 VanDerWaalsContact O-N 3.08Å; R49-W52 WeakPolarHBondContact O-CA 3.46Å; R49-W52 WeakPolarHBondContact O-CB 3.49Å; R49-W52 PolarHBondContact O-N 2.87Å; R49-V53 PolarHBondContact O-N 3.03Å; R49-V53 VanDerWaalsContact O-N 3.14Å | ||
| 50 | R | 89 | Confident | 90.5 | Very high | 203 Ų | 203 | 71.1 Ų | 71.1 | 77% | 0.766 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -49 | -40.7 | -178.6 | -64.6 | -177.2 | 65.5 | 156.6 | 1.3 | 113.5 | W52 V53 E54 | R50-W52 VanDerWaalsContact C-N 3.33Å; R50-W52 PolarHBondContact O-N 3.39Å; R50-V53 WeakPolarHBondContact O-CB 3.32Å; R50-V53 PolarHBondContact O-N 2.94Å; R50-E54 WeakPolarHBondContact O-CG 3.43Å; R50-E54 PolarHBondContact O-N 2.91Å |
| 51 | T | 89.4 | Confident | 90.2 | Very high | 111 Ų | 111 | 74 Ų | 74 | 68% | 0.681 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.6 | -39.8 | 176.5 | -45.6 | 0 | 0 | 0 | 0 | 113.1 | R49 H55 | R49-T51 PolarHBondContact O-N 2.92Å; R49-T51 VanDerWaalsContact O-N 3.08Å; T51-H55 WeakPolarHBondContact O-CB 3.48Å; T51-H55 PolarHBondContact O-N 2.99Å |
| 52 | W | 90.7 | Very high | 90 | Very high | 88 Ų | 88 | 76.5 Ų | 76.5 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 175.8 | -72.5 | 112.4 | 0 | 0 | 0 | 111.4 | C48 R49 R50 H55 F56 | C48-W52 HydrophobicContact CB-CB 4.32Å; R49-W52 WeakPolarHBondContact O-CA 3.46Å; R49-W52 WeakPolarHBondContact O-CB 3.49Å; R49-W52 PolarHBondContact O-N 2.87Å; R50-W52 VanDerWaalsContact C-N 3.33Å; R50-W52 PolarHBondContact O-N 3.39Å; W52-H55 PolarHBondContact O-N 3.14Å; W52-F56 HydrophobicContact CB-CD2 4.33Å; W52-F56 HydrophobicContact CB-CE2 4.18Å; W52-F56 AromaticContact CE3-CE2 3.85Å; W52-F56 HydrophobicContact CE3-CE2 3.85Å; W52-F56 HydrophobicContact CE3-CZ 4.02Å; W52-F56 HydrophobicContact CZ3-CZ 4.43Å; W52-F56 WeakPolarHBondContact O-CD2 3.18Å; W52-F56 WeakPolarHBondContact O-CG 2.93Å; W52-F56 PolarHBondContact O-N 3.36Å |
| 53 | V | 91.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 76 Ų | 76 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.5 | -53 | 176 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | F44 V45 C48 R49 R50 H55 F56 D57 | F44-V53 HydrophobicContact CD1-CG1 4.32Å; F44-V53 HydrophobicContact CE1-CB 4.11Å; F44-V53 HydrophobicContact CE1-CG1 3.82Å; F44-V53 HydrophobicContact CE1-CG2 4.18Å; F44-V53 HydrophobicContact CZ-CB 4.35Å; F44-V53 HydrophobicContact CZ-CG2 4.28Å; V45-V53 HydrophobicContact CG2-CG1 3.74Å; V45-V53 HydrophobicContact CG2-CG2 4.49Å; C48-V53 HydrophobicContact CB-CG2 3.58Å; R49-V53 PolarHBondContact O-N 3.03Å; R49-V53 VanDerWaalsContact O-N 3.14Å; R50-V53 WeakPolarHBondContact O-CB 3.32Å; R50-V53 PolarHBondContact O-N 2.94Å; V53-H55 VanDerWaalsContact C-N 3.33Å; V53-H55 PolarHBondContact O-N 3.38Å; V53-F56 PolarHBondContact O-N 3.37Å; V53-D57 VanDerWaalsContact O-CB 3.32Å; V53-D57 WeakPolarHBondContact O-CB 3.31Å; V53-D57 PolarHBondContact O-N 2.89Å |
| 54 | E | 91.2 | Very high | 89.2 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 179.6 | -71 | -177.5 | 82.9 | 0 | 0 | 112.1 | R50 R58 | R50-E54 WeakPolarHBondContact O-CG 3.43Å; R50-E54 PolarHBondContact O-N 2.91Å; E54-R58 WeakPolarHBondContact O-CB 3.24Å; E54-R58 VanDerWaalsContact O-CG 3.25Å; E54-R58 WeakPolarHBondContact O-CG 3.43Å; E54-R58 PolarHBondContact O-N 3.22Å; E54-R58 IonicContact OE1-NH2 2.8Å |
| 55 | H | 90 | Very high | 88.8 | Confident | 111 Ų | 111 | 80.4 Ų | 80.4 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 177 | 178.8 | -91.8 | 0 | 0 | 0 | 111.9 | T51 W52 V53 K59 | T51-H55 WeakPolarHBondContact O-CB 3.48Å; T51-H55 PolarHBondContact O-N 2.99Å; W52-H55 PolarHBondContact O-N 3.14Å; V53-H55 VanDerWaalsContact C-N 3.33Å; V53-H55 PolarHBondContact O-N 3.38Å; H55-K59 WeakPolarHBondContact O-CB 3Å; H55-K59 PolarHBondContact O-N 2.95Å |
| 56 | F | 90.6 | Very high | 88.5 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.6 | -36.5 | -179.7 | -69.3 | -56.6 | 0 | 0 | 0 | 113.1 | W17 R20 W24 F44 W52 V53 K59 Y60 | W17-F56 AromaticContact NE1-CZ 3.99Å; R20-F56 VanDerWaalsContact CD-CD1 3.46Å; R20-F56 VanDerWaalsContact CD-CE1 3.49Å; R20-F56 HydrophobicContact CG-CD1 4.37Å; R20-F56 HydrophobicContact CG-CD2 4.25Å; R20-F56 HydrophobicContact CG-CG 4.15Å; W24-F56 HydrophobicContact CH2-CD1 4.15Å; W24-F56 HydrophobicContact CZ2-CB 4.22Å; W24-F56 AromaticContact CZ2-CD1 3.77Å; W24-F56 HydrophobicContact CZ2-CD1 3.77Å; W24-F56 HydrophobicContact CZ2-CG 4.35Å; F44-F56 HydrophobicContact CE1-CB 4.45Å; F44-F56 AromaticContact CE2-CD2 3.91Å; F44-F56 HydrophobicContact CE2-CD2 3.91Å; F44-F56 HydrophobicContact CZ-CB 3.77Å; F44-F56 AromaticContact CZ-CD2 3.7Å; F44-F56 HydrophobicContact CZ-CD2 3.7Å; F44-F56 HydrophobicContact CZ-CG 4.15Å; W52-F56 HydrophobicContact CB-CD2 4.33Å; W52-F56 HydrophobicContact CB-CE2 4.18Å; W52-F56 AromaticContact CE3-CE2 3.85Å; W52-F56 HydrophobicContact CE3-CE2 3.85Å; W52-F56 HydrophobicContact CE3-CZ 4.02Å; W52-F56 HydrophobicContact CZ3-CZ 4.43Å; W52-F56 WeakPolarHBondContact O-CD2 3.18Å; W52-F56 WeakPolarHBondContact O-CG 2.93Å; W52-F56 PolarHBondContact O-N 3.36Å; V53-F56 PolarHBondContact O-N 3.37Å; F56-K59 PolarHBondContact O-N 3.43Å; F56-Y60 WeakPolarHBondContact O-CB 3.36Å; F56-Y60 PolarHBondContact O-N 2.01Å |
| 57 | D | 88.8 | Confident | 88 | Confident | 23 Ų | 23 | 79.9 Ų | 79.9 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 174.7 | -178.4 | -78.3 | 0 | 0 | 0 | 110.4 | R41 V53 K59 Y60 R61 | R41-D57 IonicContact CZ-OD2 3.7Å; R41-D57 IonicContact NH1-OD2 2.6Å; R41-D57 PolarHBondContact NH1-OD2 2.98Å; R41-D57 IonicContact NH2-OD2 3.99Å; R41-D57 PolarHBondContact NH2-OD2 3.1Å; V53-D57 VanDerWaalsContact O-CB 3.32Å; V53-D57 WeakPolarHBondContact O-CB 3.31Å; V53-D57 PolarHBondContact O-N 2.89Å; D57-K59 PolarHBondContact O-N 3.46Å; D57-Y60 PolarHBondContact O-N 3.38Å; D57-R61 WeakPolarHBondContact O-CG 3.17Å; D57-R61 PolarHBondContact O-N 3.39Å; D57-R61 IonicContact OD1-CZ 3.99Å; D57-R61 IonicContact OD1-NE 2.81Å; D57-R61 PolarHBondContact OD1-NE 2.9Å; D57-R61 IonicContact OD1-NH2 3.57Å; D57-R61 PolarHBondContact OD1-NH2 2.94Å; D57-R61 IonicContact OD2-NE 3.34Å; D57-R61 IonicContact OD2-NH2 3.49Å; D57-R61 PolarHBondContact OD2-NH2 3.37Å |
| 58 | R | 90.1 | Very high | 87.5 | Confident | 168 Ų | 168 | 85.2 Ų | 85.2 | 63% | 0.634 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | 174.6 | -71.6 | 179.3 | -164.9 | -168.9 | 7.5 | 112.1 | E54 R61 F62 | E54-R58 WeakPolarHBondContact O-CB 3.24Å; E54-R58 VanDerWaalsContact O-CG 3.25Å; E54-R58 WeakPolarHBondContact O-CG 3.43Å; E54-R58 PolarHBondContact O-N 3.22Å; E54-R58 IonicContact OE1-NH2 2.8Å; R58-R61 PolarHBondContact O-N 2.96Å; R58-F62 WeakPolarHBondContact O-CB 3.12Å; R58-F62 PolarHBondContact O-N 3.4Å |
| 59 | K | 88.6 | Confident | 87 | Confident | 41 Ų | 41 | 90.2 Ų | 90.2 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 178 | -166.4 | -157.1 | 177.1 | -98.3 | 0 | 110.6 | W24 H55 F56 D57 F62 E63 P76 | W24-K59 HydrophobicContact CH2-CD 3.81Å; W24-K59 HydrophobicContact CZ2-CD 4.17Å; H55-K59 WeakPolarHBondContact O-CB 3Å; H55-K59 PolarHBondContact O-N 2.95Å; F56-K59 PolarHBondContact O-N 3.43Å; D57-K59 PolarHBondContact O-N 3.46Å; K59-F62 PolarHBondContact O-N 2.83Å; K59-E63 WeakPolarHBondContact CD-OE2 3.35Å; K59-E63 WeakPolarHBondContact CE-OE2 3.5Å; K59-E63 VanDerWaalsContact CG-OE2 3.26Å; K59-E63 WeakPolarHBondContact CG-OE2 3.47Å; K59-E63 IonicContact NZ-OE1 3.41Å; K59-E63 PolarHBondContact NZ-OE1 3.43Å; K59-E63 VanDerWaalsContact NZ-OE1 3.09Å; K59-E63 IonicContact NZ-OE2 2.79Å; K59-E63 PolarHBondContact NZ-OE2 3.39Å; K59-E63 WeakPolarHBondContact O-CB 3.4Å; K59-E63 VanDerWaalsContact O-CG 3.3Å; K59-E63 WeakPolarHBondContact O-CG 3.49Å; K59-E63 PolarHBondContact O-N 3.47Å; K59-P76 PolarHBondContact NZ-O 2.93Å |
| 60 | Y | 86.8 | Confident | 86.1 | Confident | 22 Ų | 22 | 86.1 Ų | 86.1 | 9% | 0.086 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | 180 | -172 | -94.3 | 0 | 0 | 0 | 112.4 | W24 L27 G32 F56 D57 F62 E63 K64 | W24-Y60 HydrophobicContact CG-CD2 4.47Å; L27-Y60 HydrophobicContact CB-CE1 4.11Å; L27-Y60 HydrophobicContact CB-CE2 3.94Å; L27-Y60 WeakPolarHBondContact CB-OH 3.19Å; L27-Y60 HydrophobicContact CD1-CD1 3.8Å; L27-Y60 HydrophobicContact CD1-CD2 3.98Å; L27-Y60 HydrophobicContact CD1-CE1 3.67Å; L27-Y60 HydrophobicContact CD1-CE2 3.86Å; L27-Y60 HydrophobicContact CD1-CG 3.97Å; L27-Y60 HydrophobicContact CD2-CE1 4.14Å; L27-Y60 HydrophobicContact CG-CE1 4.21Å; G32-Y60 WeakPolarHBondContact CA-OH 3.4Å; F56-Y60 WeakPolarHBondContact O-CB 3.36Å; F56-Y60 PolarHBondContact O-N 2.01Å; D57-Y60 PolarHBondContact O-N 3.38Å; Y60-F62 VanDerWaalsContact C-N 3.29Å; Y60-F62 PolarHBondContact O-N 3.44Å; Y60-E63 PolarHBondContact O-N 3.17Å; Y60-K64 HydrophobicContact CD1-CG 4.36Å; Y60-K64 HydrophobicContact CE1-CG 3.72Å; Y60-K64 PolarHBondContact O-N 3Å; Y60-K64 WeakPolarHBondContact OH-CE 3.47Å |
| 61 | R | 86.3 | Confident | 85.1 | Confident | 117 Ų | 117 | 81.2 Ų | 81.2 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 175.4 | -69.9 | -177.3 | -164.6 | -72.7 | -14.7 | 111.9 | E34 D57 R58 K64 Y65 | E34-R61 IonicContact OE1-CZ 2.8Å; E34-R61 IonicContact OE1-NH1 3.09Å; E34-R61 IonicContact OE1-NH2 3.13Å; E34-R61 PolarHBondContact OE1-NH2 2.85Å; E34-R61 IonicContact OE2-CZ 2.74Å; E34-R61 IonicContact OE2-NH1 2.71Å; E34-R61 PolarHBondContact OE2-NH1 3.38Å; E34-R61 IonicContact OE2-NH2 3.2Å; E34-R61 PolarHBondContact OE2-NH2 3.44Å; D57-R61 WeakPolarHBondContact O-CG 3.17Å; D57-R61 PolarHBondContact O-N 3.39Å; D57-R61 IonicContact OD1-CZ 3.99Å; D57-R61 IonicContact OD1-NE 2.81Å; D57-R61 PolarHBondContact OD1-NE 2.9Å; D57-R61 IonicContact OD1-NH2 3.57Å; D57-R61 PolarHBondContact OD1-NH2 2.94Å; D57-R61 IonicContact OD2-NE 3.34Å; D57-R61 IonicContact OD2-NH2 3.49Å; D57-R61 PolarHBondContact OD2-NH2 3.37Å; R58-R61 PolarHBondContact O-N 2.96Å; R61-K64 PolarHBondContact O-N 2.71Å; R61-Y65 VanDerWaalsContact O-CB 3.28Å; R61-Y65 WeakPolarHBondContact O-CB 2.91Å; R61-Y65 PolarHBondContact O-N 3.38Å |
| 62 | F | 87.1 | Confident | 83.4 | Confident | 124 Ų | 124 | 84.9 Ų | 84.9 | 54% | 0.544 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 178.9 | -175.8 | -112 | 0 | 0 | 0 | 111.7 | R58 K59 Y60 K66 | R58-F62 WeakPolarHBondContact O-CB 3.12Å; R58-F62 PolarHBondContact O-N 3.4Å; K59-F62 PolarHBondContact O-N 2.83Å; Y60-F62 VanDerWaalsContact C-N 3.29Å; Y60-F62 PolarHBondContact O-N 3.44Å; F62-K66 HydrophobicContact CD1-CD 3.62Å; F62-K66 HydrophobicContact CD1-CG 4.49Å; F62-K66 HydrophobicContact CD2-CD 4.49Å; F62-K66 HydrophobicContact CE1-CD 3.29Å; F62-K66 HydrophobicContact CE1-CG 4.3Å; F62-K66 HydrophobicContact CE2-CD 4.2Å; F62-K66 HydrophobicContact CE2-CG 4.4Å; F62-K66 HydrophobicContact CG-CD 4.23Å; F62-K66 HydrophobicContact CZ-CD 3.61Å; F62-K66 HydrophobicContact CZ-CG 4.25Å; F62-K66 WeakPolarHBondContact O-CB 3Å; F62-K66 WeakPolarHBondContact O-CG 3.16Å; F62-K66 PolarHBondContact O-N 3.34Å |
| 63 | E | 84.3 | Confident | 81.5 | Confident | 50 Ų | 50 | 88.6 Ų | 88.6 | 23% | 0.234 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 174.3 | -74.1 | 173.1 | 100.2 | 0 | 0 | 111.6 | K59 Y60 K66 E67 P76 | K59-E63 WeakPolarHBondContact CD-OE2 3.35Å; K59-E63 WeakPolarHBondContact CE-OE2 3.5Å; K59-E63 VanDerWaalsContact CG-OE2 3.26Å; K59-E63 WeakPolarHBondContact CG-OE2 3.47Å; K59-E63 IonicContact NZ-OE1 3.41Å; K59-E63 PolarHBondContact NZ-OE1 3.43Å; K59-E63 VanDerWaalsContact NZ-OE1 3.09Å; K59-E63 IonicContact NZ-OE2 2.79Å; K59-E63 PolarHBondContact NZ-OE2 3.39Å; K59-E63 WeakPolarHBondContact O-CB 3.4Å; K59-E63 VanDerWaalsContact O-CG 3.3Å; K59-E63 WeakPolarHBondContact O-CG 3.49Å; K59-E63 PolarHBondContact O-N 3.47Å; Y60-E63 PolarHBondContact O-N 3.17Å; E63-K66 WeakPolarHBondContact O-CB 3.45Å; E63-K66 PolarHBondContact O-N 2.88Å; E63-E67 PolarHBondContact O-N 3.2Å; E63-P76 HydrophobicContact CG-CG 3.91Å; E63-P76 VanDerWaalsContact OE1-CG 3.23Å; E63-P76 WeakPolarHBondContact OE1-CG 3.39Å |
| 64 | K | 83.2 | Confident | 79.5 | Confident | 38 Ų | 38 | 91 Ų | 91 | 17% | 0.165 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 176.8 | -78.7 | -70.3 | 173.7 | -165.5 | 0 | 112.9 | Y60 R61 K66 E67 E68 | Y60-K64 HydrophobicContact CD1-CG 4.36Å; Y60-K64 HydrophobicContact CE1-CG 3.72Å; Y60-K64 PolarHBondContact O-N 3Å; Y60-K64 WeakPolarHBondContact OH-CE 3.47Å; R61-K64 PolarHBondContact O-N 2.71Å; K64-K66 VanDerWaalsContact C-N 3.26Å; K64-K66 PolarHBondContact O-N 2.87Å; K64-E67 WeakPolarHBondContact CD-OE2 3.5Å; K64-E67 IonicContact NZ-OE2 3.2Å; K64-E67 PolarHBondContact NZ-OE2 3.32Å; K64-E67 PolarHBondContact O-N 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.4Å; K64-E68 PolarHBondContact O-N 3.28Å |
| 65 | Y | 85.5 | Confident | 77.3 | Confident | 135 Ų | 135 | 91.6 Ų | 91.6 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 173.8 | -178.8 | -93.9 | 0 | 0 | 0 | 111.6 | R61 H69 L71 | R61-Y65 VanDerWaalsContact O-CB 3.28Å; R61-Y65 WeakPolarHBondContact O-CB 2.91Å; R61-Y65 PolarHBondContact O-N 3.38Å; Y65-H69 AromaticContact CD2-CD2 3.42Å; Y65-H69 VanDerWaalsContact CD2-CD2 3.42Å; Y65-H69 WeakPolarHBondContact CD2-CD2 3.5Å; Y65-H69 AromaticContact CD2-NE2 3.71Å; Y65-H69 AromaticContact CE1-CD2 3.83Å; Y65-H69 AromaticContact CE2-CD2 3.16Å; Y65-H69 WeakPolarHBondContact CE2-CD2 3.23Å; Y65-H69 AromaticContact CE2-NE2 3.22Å; Y65-H69 WeakPolarHBondContact CE2-NE2 3.19Å; Y65-H69 AromaticContact CG-CD2 3.85Å; Y65-H69 AromaticContact CZ-CD2 3.38Å; Y65-H69 AromaticContact CZ-NE2 3.74Å; Y65-H69 WeakPolarHBondContact O-CB 3.18Å; Y65-H69 PolarHBondContact O-CD2 3.46Å; Y65-H69 PolarHBondContact O-N 3.28Å; Y65-L71 HydrophobicContact CE1-CD1 4.47Å |
| 66 | K | 84 | Confident | 75.3 | Confident | 32 Ų | 32 | 89 Ų | 89 | 14% | 0.139 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 177.7 | -75.3 | 172.4 | 54.4 | -176.5 | 0 | 113.3 | F62 E63 K64 H69 G70 L71 Q73 | F62-K66 HydrophobicContact CD1-CD 3.62Å; F62-K66 HydrophobicContact CD1-CG 4.49Å; F62-K66 HydrophobicContact CD2-CD 4.49Å; F62-K66 HydrophobicContact CE1-CD 3.29Å; F62-K66 HydrophobicContact CE1-CG 4.3Å; F62-K66 HydrophobicContact CE2-CD 4.2Å; F62-K66 HydrophobicContact CE2-CG 4.4Å; F62-K66 HydrophobicContact CG-CD 4.23Å; F62-K66 HydrophobicContact CZ-CD 3.61Å; F62-K66 HydrophobicContact CZ-CG 4.25Å; F62-K66 WeakPolarHBondContact O-CB 3Å; F62-K66 WeakPolarHBondContact O-CG 3.16Å; F62-K66 PolarHBondContact O-N 3.34Å; E63-K66 WeakPolarHBondContact O-CB 3.45Å; E63-K66 PolarHBondContact O-N 2.88Å; K64-K66 VanDerWaalsContact C-N 3.26Å; K64-K66 PolarHBondContact O-N 2.87Å; K66-H69 PolarHBondContact O-N 3.22Å; K66-G70 PolarHBondContact O-N 2.9Å; K66-L71 HydrophobicContact CB-CB 4.3Å; K66-L71 WeakPolarHBondContact CE-O 3.09Å; K66-L71 HydrophobicContact CG-CB 4.03Å; K66-L71 PolarHBondContact O-N 2.91Å; K66-L71 VanDerWaalsContact O-N 3.11Å; K66-Q73 PolarHBondContact NZ-O 2.83Å |
| 67 | E | 82.2 | Confident | 73.1 | Confident | 126 Ų | 126 | 92.7 Ų | 92.7 | 59% | 0.589 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.3 | -49.5 | 175.7 | -180 | 170.5 | -98.7 | 0 | 0 | 110.6 | E63 K64 H69 | E63-E67 PolarHBondContact O-N 3.2Å; K64-E67 WeakPolarHBondContact CD-OE2 3.5Å; K64-E67 IonicContact NZ-OE2 3.2Å; K64-E67 PolarHBondContact NZ-OE2 3.32Å; K64-E67 PolarHBondContact O-N 3.47Å; E67-H69 PolarHBondContact O-N 2.96Å |
| 68 | E | 79.4 | Confident | 71.1 | Confident | 133 Ų | 133 | 95.6 Ų | 95.6 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -38 | 178.1 | -67.2 | -65.1 | 137.4 | 0 | 0 | 112.9 | K64 | K64-E68 WeakPolarHBondContact O-CG 3.4Å; K64-E68 PolarHBondContact O-N 3.28Å |
| 69 | H | 80 | Confident | 69 | Low | 114 Ų | 114 | 90.1 Ų | 90.1 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 7.3 | -175.6 | -67.8 | -71 | 0 | 0 | 0 | 114.5 | Y65 K66 E67 L71 | Y65-H69 AromaticContact CD2-CD2 3.42Å; Y65-H69 VanDerWaalsContact CD2-CD2 3.42Å; Y65-H69 WeakPolarHBondContact CD2-CD2 3.5Å; Y65-H69 AromaticContact CD2-NE2 3.71Å; Y65-H69 AromaticContact CE1-CD2 3.83Å; Y65-H69 AromaticContact CE2-CD2 3.16Å; Y65-H69 WeakPolarHBondContact CE2-CD2 3.23Å; Y65-H69 AromaticContact CE2-NE2 3.22Å; Y65-H69 WeakPolarHBondContact CE2-NE2 3.19Å; Y65-H69 AromaticContact CG-CD2 3.85Å; Y65-H69 AromaticContact CZ-CD2 3.38Å; Y65-H69 AromaticContact CZ-NE2 3.74Å; Y65-H69 WeakPolarHBondContact O-CB 3.18Å; Y65-H69 PolarHBondContact O-CD2 3.46Å; Y65-H69 PolarHBondContact O-N 3.28Å; K66-H69 PolarHBondContact O-N 3.22Å; E67-H69 PolarHBondContact O-N 2.96Å; H69-L71 HydrophobicContact CB-CD1 3.6Å; H69-L71 PolarHBondContact O-N 2.87Å |
| 70 | G | 70.2 | Confident | 66.8 | Low | 54 Ų | 54 | 96.6 Ų | 96.6 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 22 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K66 Q72 | K66-G70 PolarHBondContact O-N 2.9Å; G70-Q72 VanDerWaalsContact C-N 3.3Å; G70-Q72 PolarHBondContact O-N 2.82Å |
| 71 | L | 67 | Low | 64.6 | Low | 99 Ų | 99 | 100.6 Ų | 100.6 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | trans | -74.7 | 86 | 176.2 | -77.9 | 101.7 | 0 | 0 | 0 | 109.7 | Y65 K66 H69 Q73 | Y65-L71 HydrophobicContact CE1-CD1 4.47Å; K66-L71 HydrophobicContact CB-CB 4.3Å; K66-L71 WeakPolarHBondContact CE-O 3.09Å; K66-L71 HydrophobicContact CG-CB 4.03Å; K66-L71 PolarHBondContact O-N 2.91Å; K66-L71 VanDerWaalsContact O-N 3.11Å; H69-L71 HydrophobicContact CB-CD1 3.6Å; H69-L71 PolarHBondContact O-N 2.87Å; L71-Q73 PolarHBondContact O-N 2.8Å | ||
| 72 | Q | 55.2 | Low | 62.7 | Low | 189 Ų | 189 | 98.9 Ų | 98.9 | 88% | 0.883 | 53% | 0.531 | S | S | * | . | trans | -64.4 | 89 | 172.1 | -65.3 | -166.1 | 74.2 | 0 | 0 | 110.8 | G70 | G70-Q72 VanDerWaalsContact C-N 3.3Å; G70-Q72 PolarHBondContact O-N 2.82Å | ||
| 73 | Q | 50.1 | Low | 60.5 | Low | 165 Ų | 165 | 96.7 Ų | 96.7 | 77% | 0.771 | 53% | 0.531 | S | S | * | . | trans | -138.4 | 115.3 | 151.1 | -73.6 | -156.4 | -11.2 | 0 | 0 | 109.9 | K66 L71 | K66-Q73 PolarHBondContact NZ-O 2.83Å; L71-Q73 PolarHBondContact O-N 2.8Å | ||
| 74 | G | 49.4 | Very low | 58.7 | Low | 66 Ų | 66 | 104.7 Ų | 104.7 | 68% | 0.68 | 57% | 0.568 | S | S | * | * | trans | 46.4 | 106.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | P76 | G74-P76 WeakPolarHBondContact O-CD 3.47Å; G74-P76 VanDerWaalsContact O-N 3.1Å | ||
| 75 | S | 45.1 | Very low | 57.5 | Low | 106 Ų | 106 | 108.1 Ų | 108.1 | 74% | 0.741 | 59% | 0.588 | S | S | * | * | trans | -39.9 | 111 | 159.8 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | T77 | S75-T77 PolarHBondContact O-N 3.44Š| ||
| 76 | P | 48.5 | Very low | 56 | Low | 55 Ų | 55 | 106.6 Ų | 106.6 | 36% | 0.357 | 59% | 0.591 | S | S | . | * | trans | -83.9 | 83 | 164.4 | 31.1 | -21.6 | 0 | 0 | 0 | 105.7 | K59 E63 G74 | K59-P76 PolarHBondContact NZ-O 2.93Å; E63-P76 HydrophobicContact CG-CG 3.91Å; E63-P76 VanDerWaalsContact OE1-CG 3.23Å; E63-P76 WeakPolarHBondContact OE1-CG 3.39Å; G74-P76 WeakPolarHBondContact O-CD 3.47Å; G74-P76 VanDerWaalsContact O-N 3.1Å | ||
| 77 | T | 42.8 | Very low | 54.5 | Low | 89 Ų | 89 | 110.8 Ų | 110.8 | 55% | 0.546 | 62% | 0.616 | S | S | . | * | trans | -30.8 | 139.4 | 169.9 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | S75 P79 | S75-T77 PolarHBondContact O-N 3.44Å; T77-P79 VanDerWaalsContact O-N 3.17Å | ||
| 78 | P | 47.6 | Very low | 52.8 | Low | 84 Ų | 84 | 109.9 Ų | 109.9 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | trans | -50.8 | 130.5 | 167.4 | 24.8 | -32.9 | 0 | 0 | 0 | 106.6 | K80 | P78-K80 PolarHBondContact O-N 3.18Š| ||
| 79 | P | 45.1 | Very low | 51.2 | Low | 53 Ų | 53 | 108.4 Ų | 108.4 | 34% | 0.344 | 62% | 0.618 | S | S | . | * | trans | -56.3 | 114.7 | -174.7 | 20.1 | -29.2 | 0 | 0 | 0 | 107 | T77 T81 | T77-P79 VanDerWaalsContact O-N 3.17Å; P79-T81 PolarHBondContact O-N 3.34Å | ||
| 80 | K | 42.4 | Very low | 49.3 | Very low | 177 Ų | 177 | 108.1 Ų | 108.1 | 77% | 0.77 | 62% | 0.624 | S | S | * | * | trans | -47.3 | 114.8 | 167.2 | -76.5 | 173.6 | 175.3 | -78.3 | 0 | 106 | P78 L82 | P78-K80 PolarHBondContact O-N 3.18Å; K80-L82 PolarHBondContact O-N 3.46Å | ||
| 81 | T | 40.9 | Very low | 47.8 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | trans | 21.1 | 100.2 | 140.9 | 99.5 | 0 | 0 | 0 | 0 | 112.5 | P79 S83 | P79-T81 PolarHBondContact O-N 3.34Å; T81-S83 PolarHBondContact O-N 3.05Å; T81-S83 PolarHBondContact OG1-OG 3.13Å | ||
| 82 | L | 46.7 | Very low | 46.3 | Very low | 82 Ų | 82 | 112.9 Ų | 112.9 | 43% | 0.429 | 64% | 0.637 | S | S | . | * | trans | -78.8 | 80.7 | 150.7 | -166.2 | 67.1 | 0 | 0 | 0 | 105.1 | L10 W17 K80 | L10-L82 HydrophobicContact CD2-CD2 4.39Å; W17-L82 HydrophobicContact CH2-CB 3.82Å; W17-L82 HydrophobicContact CH2-CD2 4.35Å; W17-L82 HydrophobicContact CZ3-CB 3.44Å; W17-L82 VanDerWaalsContact CZ3-CB 3.44Å; K80-L82 PolarHBondContact O-N 3.46Å | ||
| 83 | S | 41.6 | Very low | 45.5 | Very low | 78 Ų | 78 | 106.6 Ų | 106.6 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | trans | -61.8 | 148 | 155.2 | -55.2 | 0 | 0 | 0 | 0 | 107.8 | T81 | T81-S83 PolarHBondContact O-N 3.05Å; T81-S83 PolarHBondContact OG1-OG 3.13Å | ||
| 84 | E | 46.2 | Very low | 45.1 | Very low | 218 Ų | 218 | 101.3 Ų | 101.3 | 100% | 1.019 | 60% | 0.603 | S | S | * | * | trans | 78.3 | 0 | -169.2 | -72.5 | 153.4 | 69 | 0 | 0 | 114.4 | K14 | K14-E84 PolarHBondContact NZ-OXT 3.16Š|
Retrieved 84 of 84 residues in 212.1 ms
(Link to these results)