| 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 | 42.3 | Very low | 72.3 | Confident | 242 Ų | 242 | 118.6 Ų | 118.6 | 100% | 1.192 | 64% | 0.641 | S | S | * | * | 0 | 94.9 | 0 | -84.8 | 170.1 | 153.6 | 0 | 0 | 107.4 | K3 | M1-K3 PolarHBondContact O-N 3.4Š| |||
| 2 | S | 47.8 | Very low | 73.9 | Confident | 119 Ų | 119 | 111.9 Ų | 111.9 | 83% | 0.832 | 61% | 0.614 | S | S | * | * | trans | -83.9 | 100.8 | 172.9 | -44.9 | 0 | 0 | 0 | 0 | 106.2 | E4 | S2-E4 PolarHBondContact O-N 2.94Š| ||
| 3 | K | 56.1 | Low | 75.4 | Confident | 192 Ų | 192 | 112.5 Ų | 112.5 | 84% | 0.835 | 61% | 0.612 | S | S | * | * | trans | -70.6 | 109.3 | 165.1 | -84.4 | -177.3 | 174.7 | -180 | 0 | 105.9 | M1 | M1-K3 PolarHBondContact O-N 3.4Š| ||
| 4 | E | 64 | Low | 76.7 | Confident | 162 Ų | 162 | 109.1 Ų | 109.1 | 76% | 0.757 | 59% | 0.59 | S | S | * | * | trans | -43.1 | 133.6 | 159.7 | -67.9 | -71 | 140 | 0 | 0 | 108.4 | S2 S6 | S2-E4 PolarHBondContact O-N 2.94Å; E4-S6 PolarHBondContact O-N 2.92Å | ||
| 5 | P | 56.8 | Low | 77.9 | Confident | 46 Ų | 46 | 109.7 Ų | 109.7 | 30% | 0.299 | 59% | 0.589 | S | S | . | * | trans | -58.6 | 127.8 | -178.5 | 22.7 | -31 | 0 | 0 | 0 | 109.6 | S7 E10 S11 | P5-S7 VanDerWaalsContact C-N 3.28Å; P5-S7 PolarHBondContact O-N 3.49Å; P5-E10 HydrophobicContact CB-CB 4.38Å; P5-S11 WeakPolarHBondContact CB-OG 3.44Å; P5-S11 WeakPolarHBondContact CG-OG 3.5Å | ||
| 6 | S | 70.7 | Confident | 79 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -86.3 | 6 | -166.1 | 83.8 | 0 | 0 | 0 | 0 | 114 | E4 E10 | E4-S6 PolarHBondContact O-N 2.92Å; S6-E10 VanDerWaalsContact CA-OE2 3.23Å; S6-E10 WeakPolarHBondContact CA-OE2 3.42Å; S6-E10 WeakPolarHBondContact CB-OE2 3.44Å; S6-E10 PolarHBondContact N-OE2 3.14Å; S6-E10 PolarHBondContact OG-OE1 2.83Å; S6-E10 PolarHBondContact OG-OE2 2.82Å |
| 7 | S | 90.1 | Very high | 80 | Confident | 54 Ų | 54 | 104.4 Ų | 104.4 | 38% | 0.378 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -168 | 166.9 | 167.2 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | P5 L9 E10 S11 | P5-S7 VanDerWaalsContact C-N 3.28Å; P5-S7 PolarHBondContact O-N 3.49Å; S7-L9 PolarHBondContact O-N 2.94Å; S7-E10 PolarHBondContact O-N 3.27Å; S7-E10 VanDerWaalsContact O-N 3.17Å; S7-E10 WeakPolarHBondContact OG-CG 3.05Å; S7-E10 PolarHBondContact OG-N 3.28Å; S7-S11 PolarHBondContact O-N 2.83Å; S7-S11 PolarHBondContact O-OG 2.81Å |
| 8 | N | 91.9 | Very high | 80.8 | Confident | 147 Ų | 147 | 106.1 Ų | 106.1 | 79% | 0.786 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -55.8 | -36.5 | 175.8 | -70.9 | -14.2 | 0 | 0 | 0 | 112.9 | S11 A12 | N8-S11 WeakPolarHBondContact O-CB 3.3Å; N8-S11 PolarHBondContact O-N 2.56Å; N8-A12 PolarHBondContact O-N 3.27Å |
| 9 | L | 92.4 | Very high | 81.6 | Confident | 136 Ų | 136 | 102.4 Ų | 102.4 | 71% | 0.712 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.8 | -43.5 | 178.6 | -68.7 | 177.1 | 0 | 0 | 0 | 111.4 | S7 S11 A12 M13 | S7-L9 PolarHBondContact O-N 2.94Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.33Å; L9-A12 PolarHBondContact O-N 2.66Å; L9-M13 WeakPolarHBondContact O-CG 3.32Å; L9-M13 PolarHBondContact O-N 2.91Å |
| 10 | E | 90.9 | Very high | 82.3 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 37% | 0.369 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.1 | -70.4 | -179.4 | -176.6 | 0 | 0 | 111.9 | P5 S6 S7 M13 Q14 | P5-E10 HydrophobicContact CB-CB 4.38Å; S6-E10 VanDerWaalsContact CA-OE2 3.23Å; S6-E10 WeakPolarHBondContact CA-OE2 3.42Å; S6-E10 WeakPolarHBondContact CB-OE2 3.44Å; S6-E10 PolarHBondContact N-OE2 3.14Å; S6-E10 PolarHBondContact OG-OE1 2.83Å; S6-E10 PolarHBondContact OG-OE2 2.82Å; S7-E10 PolarHBondContact O-N 3.27Å; S7-E10 VanDerWaalsContact O-N 3.17Å; S7-E10 WeakPolarHBondContact OG-CG 3.05Å; S7-E10 PolarHBondContact OG-N 3.28Å; E10-M13 PolarHBondContact O-N 3.24Å; E10-Q14 WeakPolarHBondContact O-CB 3.44Å; E10-Q14 VanDerWaalsContact O-CG 3.3Å; E10-Q14 WeakPolarHBondContact O-CG 3.23Å; E10-Q14 PolarHBondContact O-N 2.77Å |
| 11 | S | 92 | Very high | 82.9 | Confident | 34 Ų | 34 | 97.1 Ų | 97.1 | 24% | 0.238 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 172.7 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | P5 S7 N8 L9 Q14 M15 | P5-S11 WeakPolarHBondContact CB-OG 3.44Å; P5-S11 WeakPolarHBondContact CG-OG 3.5Å; S7-S11 PolarHBondContact O-N 2.83Å; S7-S11 PolarHBondContact O-OG 2.81Å; N8-S11 WeakPolarHBondContact O-CB 3.3Å; N8-S11 PolarHBondContact O-N 2.56Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.33Å; S11-Q14 PolarHBondContact O-N 3.34Å; S11-M15 WeakPolarHBondContact O-CG 3.06Å; S11-M15 PolarHBondContact O-N 2.85Å |
| 12 | A | 92.3 | Very high | 85.5 | Confident | 38 Ų | 38 | 90.8 Ų | 90.8 | 31% | 0.314 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N8 L9 Q14 M15 L16 | N8-A12 PolarHBondContact O-N 3.27Å; L9-A12 PolarHBondContact O-N 2.66Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.34Å; A12-M15 HydrophobicContact CB-CE 4.47Å; A12-M15 WeakPolarHBondContact O-CB 3.31Å; A12-M15 PolarHBondContact O-N 2.94Å; A12-M15 VanDerWaalsContact O-N 3.15Å; A12-L16 WeakPolarHBondContact O-CG 3.44Å; A12-L16 PolarHBondContact O-N 2.95Å |
| 13 | M | 93.4 | Very high | 87.8 | Confident | 120 Ų | 120 | 85.1 Ų | 85.1 | 59% | 0.591 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.2 | -44.5 | 174.9 | -68.6 | 175.6 | 70.6 | 0 | 0 | 111.6 | L9 E10 M15 L16 I17 | L9-M13 WeakPolarHBondContact O-CG 3.32Å; L9-M13 PolarHBondContact O-N 2.91Å; E10-M13 PolarHBondContact O-N 3.24Å; M13-M15 VanDerWaalsContact C-N 3.32Å; M13-M15 PolarHBondContact O-N 3.48Å; M13-L16 PolarHBondContact O-N 3.26Å; M13-I17 WeakPolarHBondContact O-CG1 3.5Å; M13-I17 PolarHBondContact O-N 3.31Å |
| 14 | Q | 92.9 | Very high | 89.7 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 176 | -74.4 | -177.6 | 15.9 | 0 | 0 | 112.4 | E10 S11 A12 K18 | E10-Q14 WeakPolarHBondContact O-CB 3.44Å; E10-Q14 VanDerWaalsContact O-CG 3.3Å; E10-Q14 WeakPolarHBondContact O-CG 3.23Å; E10-Q14 PolarHBondContact O-N 2.77Å; S11-Q14 PolarHBondContact O-N 3.34Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.34Å; Q14-K18 VanDerWaalsContact O-CB 3.28Å; Q14-K18 WeakPolarHBondContact O-CB 3.43Å; Q14-K18 WeakPolarHBondContact O-CG 3.43Å; Q14-K18 PolarHBondContact O-N 2.83Å |
| 15 | M | 94.6 | Very high | 90.9 | Very high | 118 Ų | 118 | 70.5 Ų | 70.5 | 58% | 0.581 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 175.5 | -74.4 | -170.7 | -60.6 | 0 | 0 | 111.4 | S11 A12 M13 K18 T19 | S11-M15 WeakPolarHBondContact O-CG 3.06Å; S11-M15 PolarHBondContact O-N 2.85Å; A12-M15 HydrophobicContact CB-CE 4.47Å; A12-M15 WeakPolarHBondContact O-CB 3.31Å; A12-M15 PolarHBondContact O-N 2.94Å; A12-M15 VanDerWaalsContact O-N 3.15Å; M13-M15 VanDerWaalsContact C-N 3.32Å; M13-M15 PolarHBondContact O-N 3.48Å; M15-K18 PolarHBondContact O-N 3Å; M15-T19 VanDerWaalsContact O-CB 3.31Å; M15-T19 WeakPolarHBondContact O-CB 3.26Å; M15-T19 PolarHBondContact O-N 3.44Å; M15-T19 PolarHBondContact O-OG1 2.93Å |
| 16 | L | 95.5 | Very high | 92.5 | Very high | 58 Ų | 58 | 73.3 Ų | 73.3 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 175.9 | -68.7 | 167.2 | 0 | 0 | 0 | 111.5 | A12 M13 K18 T19 F20 I80 M83 | A12-L16 WeakPolarHBondContact O-CG 3.44Å; A12-L16 PolarHBondContact O-N 2.95Å; M13-L16 PolarHBondContact O-N 3.26Å; L16-K18 PolarHBondContact O-N 3.36Å; L16-T19 PolarHBondContact O-N 3.37Å; L16-F20 PolarHBondContact O-N 3.2Å; L16-I80 HydrophobicContact CB-CD1 4Å; L16-I80 HydrophobicContact CD1-CD1 3.85Å; L16-I80 HydrophobicContact CD2-CD1 4.32Å; L16-I80 HydrophobicContact CG-CD1 4.28Å; L16-M83 HydrophobicContact CD2-CB 4.21Å; L16-M83 HydrophobicContact CD2-CG 3.91Å; L16-M83 HydrophobicContact CD2-SD 4.42Å |
| 17 | I | 95.5 | Very high | 93.3 | Very high | 72 Ų | 72 | 74.7 Ų | 74.7 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 178.3 | -66.2 | 164.2 | 0 | 0 | 0 | 111.2 | M13 T19 F20 H21 F76 | M13-I17 WeakPolarHBondContact O-CG1 3.5Å; M13-I17 PolarHBondContact O-N 3.31Å; I17-T19 VanDerWaalsContact C-N 3.32Å; I17-T19 PolarHBondContact O-N 2.77Å; I17-F20 PolarHBondContact O-N 2.68Å; I17-H21 PolarHBondContact O-CD2 2.92Å; I17-H21 PolarHBondContact O-N 3.32Å; I17-H21 VanDerWaalsContact O-N 3.07Å; I17-F76 HydrophobicContact CB-CZ 4.49Å; I17-F76 HydrophobicContact CG1-CE1 4.35Å; I17-F76 HydrophobicContact CG1-CE2 4.07Å; I17-F76 HydrophobicContact CG1-CZ 3.57Å |
| 18 | K | 95.3 | Very high | 93.2 | Very high | 135 Ų | 135 | 75.8 Ų | 75.8 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 179.4 | -76.3 | 172.3 | -178.4 | 172.7 | 0 | 112.1 | Q14 M15 L16 K22 | Q14-K18 VanDerWaalsContact O-CB 3.28Å; Q14-K18 WeakPolarHBondContact O-CB 3.43Å; Q14-K18 WeakPolarHBondContact O-CG 3.43Å; Q14-K18 PolarHBondContact O-N 2.83Å; M15-K18 PolarHBondContact O-N 3Å; L16-K18 PolarHBondContact O-N 3.36Å; K18-K22 WeakPolarHBondContact O-CB 3.42Å; K18-K22 PolarHBondContact O-N 3.46Å |
| 19 | T | 95.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 72.3 Ų | 72.3 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.4 | -46.8 | 179.1 | -55.4 | 0 | 0 | 0 | 0 | 110.1 | M15 L16 I17 H21 K22 Y23 E45 | M15-T19 VanDerWaalsContact O-CB 3.31Å; M15-T19 WeakPolarHBondContact O-CB 3.26Å; M15-T19 PolarHBondContact O-N 3.44Å; M15-T19 PolarHBondContact O-OG1 2.93Å; L16-T19 PolarHBondContact O-N 3.37Å; I17-T19 VanDerWaalsContact C-N 3.32Å; I17-T19 PolarHBondContact O-N 2.77Å; T19-H21 VanDerWaalsContact C-N 3.35Å; T19-H21 PolarHBondContact O-N 3.29Å; T19-K22 WeakPolarHBondContact O-CB 3.19Å; T19-K22 PolarHBondContact O-N 2.8Å; T19-K22 VanDerWaalsContact O-N 3.12Å; T19-Y23 HydrophobicContact CG2-CD2 4.42Å; T19-Y23 HydrophobicContact CG2-CE2 4.15Å; T19-Y23 VanDerWaalsContact O-CD2 3.25Å; T19-Y23 WeakPolarHBondContact O-CD2 3.43Å; T19-E45 HydrophobicContact CG2-CG 3.8Å |
| 20 | F | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.9 | -52.2 | 174.1 | -179.5 | -94.4 | 0 | 0 | 0 | 111.6 | L16 I17 K22 Y23 S24 Y31 L33 F76 F79 | L16-F20 PolarHBondContact O-N 3.2Å; I17-F20 PolarHBondContact O-N 2.68Å; F20-K22 PolarHBondContact O-N 3.3Å; F20-Y23 PolarHBondContact O-N 3.02Å; F20-S24 PolarHBondContact O-N 2.87Å; F20-S24 PolarHBondContact O-OG 2.93Å; F20-Y31 WeakPolarHBondContact CE1-O 3.28Å; F20-Y31 VanDerWaalsContact CZ-O 3.31Å; F20-Y31 WeakPolarHBondContact CZ-O 3.34Å; F20-L33 HydrophobicContact CD2-CD1 3.73Å; F20-L33 HydrophobicContact CD2-CG 4.09Å; F20-L33 HydrophobicContact CE2-CD1 3.61Å; F20-L33 HydrophobicContact CE2-CG 3.67Å; F20-L33 HydrophobicContact CZ-CG 4.24Å; F20-F76 HydrophobicContact CB-CD2 3.86Å; F20-F76 HydrophobicContact CB-CE2 3.96Å; F20-F76 AromaticContact CD1-CD2 3.78Å; F20-F76 HydrophobicContact CD1-CD2 3.78Å; F20-F76 AromaticContact CD2-CD2 3.95Å; F20-F76 HydrophobicContact CD2-CD2 3.95Å; F20-F76 HydrophobicContact CE1-CB 4.19Å; F20-F76 HydrophobicContact CE1-CD2 4.3Å; F20-F76 HydrophobicContact CE2-CB 4.42Å; F20-F76 HydrophobicContact CE2-CD2 4.43Å; F20-F76 AromaticContact CG-CD2 3.59Å; F20-F76 HydrophobicContact CG-CD2 3.59Å; F20-F76 HydrophobicContact CG-CE2 4.21Å; F20-F76 HydrophobicContact CZ-CB 4.14Å; F20-F79 HydrophobicContact CB-CD1 4.09Å; F20-F79 HydrophobicContact CB-CE1 4Å; F20-F79 HydrophobicContact CB-CZ 4.49Å; F20-F79 HydrophobicContact CD2-CB 3.73Å; F20-F79 AromaticContact CD2-CD1 3.75Å; F20-F79 HydrophobicContact CD2-CD1 3.75Å; F20-F79 HydrophobicContact CD2-CD2 4.15Å; F20-F79 HydrophobicContact CD2-CE1 4.41Å; F20-F79 AromaticContact CD2-CG 3.59Å; F20-F79 HydrophobicContact CD2-CG 3.59Å; F20-F79 HydrophobicContact CE2-CB 3.86Å; F20-F79 HydrophobicContact CE2-CG 4.23Å; F20-F79 HydrophobicContact CG-CD1 4.3Å |
| 21 | H | 95.9 | Very high | 93.4 | Very high | 94 Ų | 94 | 74.4 Ų | 74.4 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.1 | -10.5 | -179.2 | -72.6 | -52.6 | 0 | 0 | 0 | 115.5 | I17 T19 Y23 S24 | I17-H21 PolarHBondContact O-CD2 2.92Å; I17-H21 PolarHBondContact O-N 3.32Å; I17-H21 VanDerWaalsContact O-N 3.07Å; T19-H21 VanDerWaalsContact C-N 3.35Å; T19-H21 PolarHBondContact O-N 3.29Å; H21-Y23 VanDerWaalsContact C-N 3.31Å; H21-S24 WeakPolarHBondContact CA-OG 3.42Å; H21-S24 PolarHBondContact ND1-OG 2.78Å |
| 22 | K | 95.9 | Very high | 93.5 | Very high | 108 Ų | 108 | 73.5 Ų | 73.5 | 47% | 0.47 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.7 | -29.9 | 169.6 | 174.9 | -173.2 | 165.1 | -162.2 | 0 | 111 | K18 T19 F20 K26 E44 E45 | K18-K22 WeakPolarHBondContact O-CB 3.42Å; K18-K22 PolarHBondContact O-N 3.46Å; T19-K22 WeakPolarHBondContact O-CB 3.19Å; T19-K22 PolarHBondContact O-N 2.8Å; T19-K22 VanDerWaalsContact O-N 3.12Å; F20-K22 PolarHBondContact O-N 3.3Å; K22-K26 VanDerWaalsContact O-CE 3.22Å; K22-K26 WeakPolarHBondContact O-CE 3.31Å; K22-E44 IonicContact NZ-OE2 3.99Å; K22-E45 IonicContact NZ-OE1 2.71Å; K22-E45 PolarHBondContact NZ-OE1 3.19Å |
| 23 | Y | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -104.8 | -34.9 | -176.6 | -65 | -81.5 | 0 | 0 | 0 | 113.3 | T19 F20 H21 E37 E40 L41 E44 E45 | T19-Y23 HydrophobicContact CG2-CD2 4.42Å; T19-Y23 HydrophobicContact CG2-CE2 4.15Å; T19-Y23 VanDerWaalsContact O-CD2 3.25Å; T19-Y23 WeakPolarHBondContact O-CD2 3.43Å; F20-Y23 PolarHBondContact O-N 3.02Å; H21-Y23 VanDerWaalsContact C-N 3.31Å; Y23-E37 WeakPolarHBondContact O-CG 3.42Å; Y23-E40 HydrophobicContact CD1-CB 4.06Å; Y23-E40 HydrophobicContact CD1-CG 4.02Å; Y23-E40 HydrophobicContact CE1-CB 4.25Å; Y23-E40 HydrophobicContact CE1-CG 3.84Å; Y23-L41 HydrophobicContact CD1-CB 4.11Å; Y23-L41 HydrophobicContact CD2-CB 3.79Å; Y23-L41 HydrophobicContact CD2-CD1 3.77Å; Y23-L41 HydrophobicContact CD2-CG 3.74Å; Y23-L41 HydrophobicContact CE1-CB 4.5Å; Y23-L41 HydrophobicContact CE2-CB 4.2Å; Y23-L41 HydrophobicContact CE2-CG 4.08Å; Y23-L41 HydrophobicContact CG-CB 3.76Å; Y23-L41 HydrophobicContact CG-CD1 4.22Å; Y23-L41 HydrophobicContact CG-CG 4.22Å; Y23-E44 WeakPolarHBondContact CE1-OE2 3.37Å; Y23-E44 VanDerWaalsContact OH-CB 3.3Å; Y23-E44 WeakPolarHBondContact OH-CB 3.42Å; Y23-E44 PolarHBondContact OH-OE2 3.42Å; Y23-E45 HydrophobicContact CE2-CG 3.66Å; Y23-E45 PolarHBondContact OH-OE1 3.1Å; Y23-E45 VanDerWaalsContact OH-OE1 3.06Å |
| 24 | S | 95.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 145.2 | 180 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | F20 H21 K26 K30 T32 | F20-S24 PolarHBondContact O-N 2.87Å; F20-S24 PolarHBondContact O-OG 2.93Å; H21-S24 WeakPolarHBondContact CA-OG 3.42Å; H21-S24 PolarHBondContact ND1-OG 2.78Å; S24-K26 VanDerWaalsContact C-N 3.31Å; S24-K26 PolarHBondContact O-N 2.92Å; S24-K30 PolarHBondContact OG-O 3.46Å; S24-T32 WeakPolarHBondContact CA-O 3.32Å; S24-T32 WeakPolarHBondContact CB-O 3.13Å |
| 25 | G | 90.5 | Very high | 93.5 | Very high | 36 Ų | 36 | 67.3 Ų | 67.3 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 13.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E37 | G25-E37 PolarHBondContact N-OE1 3.38Š|
| 26 | K | 90.9 | Very high | 93.3 | Very high | 104 Ų | 104 | 63.6 Ų | 63.6 | 45% | 0.452 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -68.2 | -32.4 | 160.4 | -61.6 | 177.1 | -177.9 | 173.4 | 0 | 109.9 | K22 S24 E37 E40 | K22-K26 VanDerWaalsContact O-CE 3.22Å; K22-K26 WeakPolarHBondContact O-CE 3.31Å; S24-K26 VanDerWaalsContact C-N 3.31Å; S24-K26 PolarHBondContact O-N 2.92Å; K26-E37 VanDerWaalsContact CA-OE1 3.27Å; K26-E37 WeakPolarHBondContact CA-OE1 3.48Å; K26-E37 HydrophobicContact CB-CG 4.33Å; K26-E37 VanDerWaalsContact CB-OE1 3.29Å; K26-E37 WeakPolarHBondContact CB-OE1 3.29Å; K26-E37 PolarHBondContact N-OE1 3.13Å; K26-E40 IonicContact NZ-OE1 2.73Å; K26-E40 PolarHBondContact NZ-OE1 2.77Å; K26-E40 IonicContact NZ-OE2 2.68Å; K26-E40 PolarHBondContact NZ-OE2 3.43Å |
| 27 | E | 86.4 | Confident | 93.3 | Very high | 124 Ų | 124 | 61 Ų | 61 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -137.9 | 138.1 | 177.4 | -60.3 | -179.3 | 177.2 | 0 | 0 | 109.9 | E37 | E27-E37 PolarHBondContact N-OE1 3.38Š|
| 28 | G | 88.1 | Confident | 93 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 79% | 0.794 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 72.1 | -132.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 29 | D | 91.7 | Very high | 92.7 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | trans | -80.9 | 137 | -179.5 | -168.6 | -24.1 | 0 | 0 | 0 | 111.1 | Y31 T32 | D29-Y31 PolarHBondContact O-N 3.36Å; D29-Y31 WeakPolarHBondContact OD1-CD2 3.45Å; D29-Y31 PolarHBondContact OD1-N 2.95Å; D29-T32 WeakPolarHBondContact CB-OG1 3.36Å | ||
| 30 | K | 92.9 | Very high | 92.5 | Very high | 122 Ų | 122 | 55.8 Ų | 55.8 | 53% | 0.53 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7.5 | 180 | 70.7 | -176.6 | -173.9 | 178 | 0 | 114.5 | S24 | S24-K30 PolarHBondContact OG-O 3.46Š|
| 31 | Y | 94.3 | Very high | 92.4 | Very high | 137 Ų | 137 | 55.9 Ų | 55.9 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -1 | -179.8 | -61 | -65.5 | 0 | 0 | 0 | 113.4 | F20 D29 | F20-Y31 WeakPolarHBondContact CE1-O 3.28Å; F20-Y31 VanDerWaalsContact CZ-O 3.31Å; F20-Y31 WeakPolarHBondContact CZ-O 3.34Å; D29-Y31 PolarHBondContact O-N 3.36Å; D29-Y31 WeakPolarHBondContact OD1-CD2 3.45Å; D29-Y31 PolarHBondContact OD1-N 2.95Å |
| 32 | T | 95.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 163.2 | 179.9 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | S24 D29 E73 V74 D75 | S24-T32 WeakPolarHBondContact CA-O 3.32Å; S24-T32 WeakPolarHBondContact CB-O 3.13Å; D29-T32 WeakPolarHBondContact CB-OG1 3.36Å; T32-E73 VanDerWaalsContact CB-OE2 3.31Å; T32-E73 WeakPolarHBondContact CB-OE2 3.33Å; T32-E73 HydrophobicContact CG2-CB 4.27Å; T32-E73 WeakPolarHBondContact CG2-OE2 3.19Å; T32-E73 PolarHBondContact OG1-OE2 3.38Å; T32-V74 CarbonylContact C-O 3.6Å; T32-V74 VanDerWaalsContact CA-O 3.31Å; T32-V74 WeakPolarHBondContact CA-O 3.28Å; T32-D75 HydrophobicContact CG2-CB 4.3Å |
| 33 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.6 | 168.7 | -66.8 | 163.5 | 0 | 0 | 0 | 108.5 | F20 E37 L38 L41 E73 V74 F79 | F20-L33 HydrophobicContact CD2-CD1 3.73Å; F20-L33 HydrophobicContact CD2-CG 4.09Å; F20-L33 HydrophobicContact CE2-CD1 3.61Å; F20-L33 HydrophobicContact CE2-CG 3.67Å; F20-L33 HydrophobicContact CZ-CG 4.24Å; L33-E37 VanDerWaalsContact CA-OE2 3.32Å; L33-E37 WeakPolarHBondContact CA-OE2 3.48Å; L33-E37 HydrophobicContact CB-CB 4.35Å; L33-E37 HydrophobicContact CD2-CB 3.83Å; L33-L38 HydrophobicContact CB-CB 4.39Å; L33-L38 HydrophobicContact CD1-CD1 4.3Å; L33-L41 HydrophobicContact CD1-CD1 3.93Å; L33-E73 CarbonylContact O-C 3.27Å; L33-E73 WeakPolarHBondContact O-CA 3.27Å; L33-V74 HydrophobicContact CB-CB 4.26Å; L33-V74 PolarHBondContact N-O 3.46Å; L33-V74 PolarHBondContact O-N 2.89Å; L33-F79 HydrophobicContact CD1-CD2 4.38Å |
| 34 | S | 93.5 | Very high | 91.2 | Very high | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | trans | -65.6 | 163.6 | 164.4 | 94.6 | 0 | 0 | 0 | 0 | 110 | G36 E37 L38 | S34-G36 PolarHBondContact O-N 2.84Å; S34-G36 PolarHBondContact OG-N 3.35Å; S34-E37 PolarHBondContact N-OE2 2.83Å; S34-E37 PolarHBondContact O-N 3.08Å; S34-E37 VanDerWaalsContact O-N 3.08Å; S34-E37 PolarHBondContact OG-N 2.81Å; S34-L38 PolarHBondContact O-N 3.19Å | ||
| 35 | R | 89.4 | Confident | 90.9 | Very high | 78 Ų | 78 | 57.1 Ų | 57.1 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -50.6 | -40.7 | 172.2 | -174.8 | 176.3 | -168.6 | 58.5 | 47.9 | 113.7 | K39 E60 | R35-K39 WeakPolarHBondContact O-CB 3.27Å; R35-K39 PolarHBondContact O-N 3.08Å; R35-K39 VanDerWaalsContact O-N 3.13Å; R35-E60 IonicContact CZ-OE1 2.7Å; R35-E60 IonicContact CZ-OE2 3Å; R35-E60 IonicContact NE-OE1 2.77Å; R35-E60 PolarHBondContact NE-OE1 3.05Å; R35-E60 IonicContact NE-OE2 3.79Å; R35-E60 IonicContact NH1-OE1 3.24Å; R35-E60 PolarHBondContact NH1-OE1 3.24Å; R35-E60 IonicContact NH1-OE2 2.66Å; R35-E60 PolarHBondContact NH1-OE2 3.24Å; R35-E60 IonicContact NH2-OE1 2.91Å; R35-E60 PolarHBondContact NH2-OE1 3.5Å; R35-E60 IonicContact NH2-OE2 3.27Å; R35-E60 PolarHBondContact NH2-OE2 3.13Å |
| 36 | G | 90.8 | Very high | 90.6 | Very high | 40 Ų | 40 | 56.8 Ų | 56.8 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | S34 K39 E40 | S34-G36 PolarHBondContact O-N 2.84Å; S34-G36 PolarHBondContact OG-N 3.35Å; G36-K39 WeakPolarHBondContact O-CB 3.35Å; G36-K39 PolarHBondContact O-N 2.68Å; G36-E40 PolarHBondContact O-N 3.26Å; G36-E40 VanDerWaalsContact O-N 3.08Å |
| 37 | E | 94.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 179.1 | -63.5 | 174.1 | 151.4 | 0 | 0 | 111.9 | Y23 G25 K26 E27 L33 S34 K39 E40 L41 | Y23-E37 WeakPolarHBondContact O-CG 3.42Å; G25-E37 PolarHBondContact N-OE1 3.38Å; K26-E37 VanDerWaalsContact CA-OE1 3.27Å; K26-E37 WeakPolarHBondContact CA-OE1 3.48Å; K26-E37 HydrophobicContact CB-CG 4.33Å; K26-E37 VanDerWaalsContact CB-OE1 3.29Å; K26-E37 WeakPolarHBondContact CB-OE1 3.29Å; K26-E37 PolarHBondContact N-OE1 3.13Å; E27-E37 PolarHBondContact N-OE1 3.38Å; L33-E37 VanDerWaalsContact CA-OE2 3.32Å; L33-E37 WeakPolarHBondContact CA-OE2 3.48Å; L33-E37 HydrophobicContact CB-CB 4.35Å; L33-E37 HydrophobicContact CD2-CB 3.83Å; S34-E37 PolarHBondContact N-OE2 2.83Å; S34-E37 PolarHBondContact O-N 3.08Å; S34-E37 VanDerWaalsContact O-N 3.08Å; S34-E37 PolarHBondContact OG-N 2.81Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 3.03Å; E37-E40 PolarHBondContact O-N 3.26Å; E37-L41 PolarHBondContact O-N 3.47Å |
| 38 | L | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 173.3 | -179.9 | 64.3 | 0 | 0 | 0 | 110.6 | L33 S34 E40 L41 L42 M63 L66 V74 | L33-L38 HydrophobicContact CB-CB 4.39Å; L33-L38 HydrophobicContact CD1-CD1 4.3Å; S34-L38 PolarHBondContact O-N 3.19Å; L38-E40 VanDerWaalsContact C-N 3.3Å; L38-E40 PolarHBondContact O-N 2.95Å; L38-L41 PolarHBondContact O-N 3.25Å; L38-L42 HydrophobicContact CD1-CD1 4.22Å; L38-L42 HydrophobicContact CD1-CD2 4.35Å; L38-L42 HydrophobicContact CD1-CG 4.05Å; L38-L42 HydrophobicContact CD2-CD1 4.5Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 HydrophobicContact CG-CG 4.21Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.14Å; L38-L42 PolarHBondContact O-N 2.73Å; L38-M63 HydrophobicContact CD2-CB 4.16Å; L38-M63 HydrophobicContact CD2-CG 4.47Å; L38-M63 HydrophobicContact CD2-SD 3.45Å; L38-M63 WeakPolarHBondContact CD2-SD 3.34Å; L38-L66 HydrophobicContact CD2-CD1 4.49Å; L38-V74 HydrophobicContact CD2-CG2 4.11Å |
| 39 | K | 89 | Confident | 88.4 | Confident | 66 Ų | 66 | 55 Ų | 55 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.3 | -46 | 176.1 | -179.5 | 168.9 | 178.9 | -175.1 | 0 | 112.1 | R35 G36 E37 T43 N56 V59 | R35-K39 WeakPolarHBondContact O-CB 3.27Å; R35-K39 PolarHBondContact O-N 3.08Å; R35-K39 VanDerWaalsContact O-N 3.13Å; G36-K39 WeakPolarHBondContact O-CB 3.35Å; G36-K39 PolarHBondContact O-N 2.68Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 3.03Å; K39-T43 WeakPolarHBondContact O-CB 3.35Å; K39-T43 PolarHBondContact O-N 3.46Å; K39-T43 PolarHBondContact O-OG1 3.46Å; K39-N56 PolarHBondContact NZ-OD1 3.06Å; K39-V59 HydrophobicContact CB-CG1 3.93Å; K39-V59 HydrophobicContact CB-CG2 4.35Å; K39-V59 HydrophobicContact CD-CG2 4.43Å; K39-V59 HydrophobicContact CG-CG1 4.42Å; K39-V59 HydrophobicContact CG-CG2 4.01Å |
| 40 | E | 91.2 | Very high | 87.3 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 179.6 | -163.1 | -171.6 | 166.8 | 0 | 0 | 110.7 | Y23 K26 G36 E37 L38 L42 T43 E44 | Y23-E40 HydrophobicContact CD1-CB 4.06Å; Y23-E40 HydrophobicContact CD1-CG 4.02Å; Y23-E40 HydrophobicContact CE1-CB 4.25Å; Y23-E40 HydrophobicContact CE1-CG 3.84Å; K26-E40 IonicContact NZ-OE1 2.73Å; K26-E40 PolarHBondContact NZ-OE1 2.77Å; K26-E40 IonicContact NZ-OE2 2.68Å; K26-E40 PolarHBondContact NZ-OE2 3.43Å; G36-E40 PolarHBondContact O-N 3.26Å; G36-E40 VanDerWaalsContact O-N 3.08Å; E37-E40 PolarHBondContact O-N 3.26Å; L38-E40 VanDerWaalsContact C-N 3.3Å; L38-E40 PolarHBondContact O-N 2.95Å; E40-L42 PolarHBondContact O-N 3.37Å; E40-T43 PolarHBondContact O-N 2.74Å; E40-E44 WeakPolarHBondContact O-CB 3.31Å; E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 3.27Å |
| 41 | L | 92.3 | Very high | 85.8 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.1 | -51.9 | 176 | -174.5 | 159 | 0 | 0 | 0 | 111.6 | Y23 L33 E37 L38 T43 E44 E45 F79 | Y23-L41 HydrophobicContact CD1-CB 4.11Å; Y23-L41 HydrophobicContact CD2-CB 3.79Å; Y23-L41 HydrophobicContact CD2-CD1 3.77Å; Y23-L41 HydrophobicContact CD2-CG 3.74Å; Y23-L41 HydrophobicContact CE1-CB 4.5Å; Y23-L41 HydrophobicContact CE2-CB 4.2Å; Y23-L41 HydrophobicContact CE2-CG 4.08Å; Y23-L41 HydrophobicContact CG-CB 3.76Å; Y23-L41 HydrophobicContact CG-CD1 4.22Å; Y23-L41 HydrophobicContact CG-CG 4.22Å; L33-L41 HydrophobicContact CD1-CD1 3.93Å; E37-L41 PolarHBondContact O-N 3.47Å; L38-L41 PolarHBondContact O-N 3.25Å; L41-T43 PolarHBondContact O-N 2.75Å; L41-E44 PolarHBondContact O-N 3.02Å; L41-E45 WeakPolarHBondContact O-CB 3.22Å; L41-E45 PolarHBondContact O-N 2.68Å; L41-F79 HydrophobicContact CD1-CD2 4.34Å; L41-F79 HydrophobicContact CD1-CE2 3.81Å; L41-F79 HydrophobicContact CD2-CE2 4.17Å |
| 42 | L | 87.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -28.9 | -179.1 | -65.7 | 179 | 0 | 0 | 0 | 112.5 | L38 E40 L46 G47 L50 S53 V62 L82 | L38-L42 HydrophobicContact CD1-CD1 4.22Å; L38-L42 HydrophobicContact CD1-CD2 4.35Å; L38-L42 HydrophobicContact CD1-CG 4.05Å; L38-L42 HydrophobicContact CD2-CD1 4.5Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 HydrophobicContact CG-CG 4.21Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.14Å; L38-L42 PolarHBondContact O-N 2.73Å; E40-L42 PolarHBondContact O-N 3.37Å; L42-L46 HydrophobicContact CD2-CD1 3.86Å; L42-L46 CarbonylContact O-C 3.48Å; L42-L46 VanDerWaalsContact O-C 3.27Å; L42-G47 PolarHBondContact O-N 2.89Å; L42-G47 VanDerWaalsContact O-N 3.1Å; L42-L50 HydrophobicContact CB-CD1 4.34Å; L42-L50 HydrophobicContact CD2-CD1 3.93Å; L42-S53 PolarHBondContact O-OG 3.4Å; L42-S53 VanDerWaalsContact O-OG 3.11Å; L42-V62 HydrophobicContact CD1-CB 4.13Å; L42-V62 HydrophobicContact CD1-CG1 3.75Å; L42-L82 HydrophobicContact CD2-CD2 4.1Å |
| 43 | T | 85.4 | Confident | 82 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -79 | -45.3 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | K39 E40 L41 G47 S53 | K39-T43 WeakPolarHBondContact O-CB 3.35Å; K39-T43 PolarHBondContact O-N 3.46Å; K39-T43 PolarHBondContact O-OG1 3.46Å; E40-T43 PolarHBondContact O-N 2.74Å; L41-T43 PolarHBondContact O-N 2.75Å; T43-G47 WeakPolarHBondContact O-CA 3.26Å; T43-G47 PolarHBondContact O-N 2.96Å; T43-S53 WeakPolarHBondContact CA-OG 3.41Å |
| 44 | E | 89.9 | Confident | 80.4 | Confident | 113 Ų | 113 | 57.6 Ų | 57.6 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -82.4 | -43.9 | -173.3 | -68.8 | -167.9 | 169.1 | 0 | 0 | 113.3 | K22 Y23 E40 L41 | K22-E44 IonicContact NZ-OE2 3.99Å; Y23-E44 WeakPolarHBondContact CE1-OE2 3.37Å; Y23-E44 VanDerWaalsContact OH-CB 3.3Å; Y23-E44 WeakPolarHBondContact OH-CB 3.42Å; Y23-E44 PolarHBondContact OH-OE2 3.42Å; E40-E44 WeakPolarHBondContact O-CB 3.31Å; E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 3.27Å; L41-E44 PolarHBondContact O-N 3.02Å |
| 45 | E | 89.9 | Confident | 79.2 | Confident | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -31.1 | -174.6 | -57.5 | -67.6 | 170.2 | 0 | 0 | 111.8 | T19 K22 Y23 L41 | T19-E45 HydrophobicContact CG2-CG 3.8Å; K22-E45 IonicContact NZ-OE1 2.71Å; K22-E45 PolarHBondContact NZ-OE1 3.19Å; Y23-E45 HydrophobicContact CE2-CG 3.66Å; Y23-E45 PolarHBondContact OH-OE1 3.1Å; Y23-E45 VanDerWaalsContact OH-OE1 3.06Å; L41-E45 WeakPolarHBondContact O-CB 3.22Å; L41-E45 PolarHBondContact O-N 2.68Å |
| 46 | L | 83.1 | Confident | 78.6 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 6.1 | -172.4 | -59.7 | 175.5 | 0 | 0 | 0 | 114.3 | L42 S48 Y49 L50 M83 L86 | L42-L46 HydrophobicContact CD2-CD1 3.86Å; L42-L46 CarbonylContact O-C 3.48Å; L42-L46 VanDerWaalsContact O-C 3.27Å; L46-S48 PolarHBondContact O-N 3.32Å; L46-S48 VanDerWaalsContact O-N 3.17Å; L46-Y49 WeakPolarHBondContact O-CA 3.25Å; L46-Y49 WeakPolarHBondContact O-CB 3.49Å; L46-Y49 PolarHBondContact O-N 3.21Å; L46-L50 HydrophobicContact CB-CD1 3.82Å; L46-L50 HydrophobicContact CB-CG 4.16Å; L46-L50 HydrophobicContact CD1-CD1 4.28Å; L46-L50 PolarHBondContact O-N 3.29Å; L46-M83 HydrophobicContact CD1-CE 3.88Å; L46-L86 HydrophobicContact CD1-CD1 3.88Å |
| 47 | G | 77.4 | Confident | 78.1 | Confident | 23 Ų | 23 | 67 Ų | 67 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -29.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L42 T43 G51 | L42-G47 PolarHBondContact O-N 2.89Å; L42-G47 VanDerWaalsContact O-N 3.1Å; T43-G47 WeakPolarHBondContact O-CA 3.26Å; T43-G47 PolarHBondContact O-N 2.96Å; G47-G51 PolarHBondContact O-N 3.43Å |
| 48 | S | 74.4 | Confident | 77.3 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 84% | 0.839 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -74 | -28.7 | 173.5 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | L46 | L46-S48 PolarHBondContact O-N 3.32Å; L46-S48 VanDerWaalsContact O-N 3.17Å |
| 49 | Y | 68.1 | Low | 76.8 | Confident | 125 Ų | 125 | 69 Ų | 69 | 49% | 0.49 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -86.2 | -40.6 | -176.8 | -145.1 | -93.7 | 0 | 0 | 0 | 111.8 | L46 C90 | L46-Y49 WeakPolarHBondContact O-CA 3.25Å; L46-Y49 WeakPolarHBondContact O-CB 3.49Å; L46-Y49 PolarHBondContact O-N 3.21Å; Y49-C90 PolarHBondContact OH-SG 3.14Å |
| 50 | L | 68.1 | Low | 76.6 | Confident | 66 Ų | 66 | 69.8 Ų | 69.8 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -90.3 | -9.4 | -175.2 | -64.8 | 174.7 | 0 | 0 | 0 | 113.7 | L42 L46 L86 | L42-L50 HydrophobicContact CB-CD1 4.34Å; L42-L50 HydrophobicContact CD2-CD1 3.93Å; L46-L50 HydrophobicContact CB-CD1 3.82Å; L46-L50 HydrophobicContact CB-CG 4.16Å; L46-L50 HydrophobicContact CD1-CD1 4.28Å; L46-L50 PolarHBondContact O-N 3.29Å; L50-L86 HydrophobicContact CD2-CD2 4.38Å |
| 51 | G | 61.1 | Low | 76.2 | Confident | 56 Ų | 56 | 73.2 Ų | 73.2 | 58% | 0.577 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 96.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G47 S53 | G47-G51 PolarHBondContact O-N 3.43Å; G51-S53 PolarHBondContact O-N 2.9Å |
| 52 | N | 55.2 | Low | 75.8 | Confident | 123 Ų | 123 | 74.6 Ų | 74.6 | 66% | 0.658 | 40% | 0.401 | S | S | * | . | trans | 46.9 | 59.2 | 178.6 | -93.9 | -1.4 | 0 | 0 | 0 | 113.7 | K54 D55 | N52-K54 PolarHBondContact O-N 3.47Å; N52-D55 PolarHBondContact O-N 2.92Å | ||
| 53 | S | 56.2 | Low | 75.7 | Confident | 8 Ų | 8 | 74.7 Ų | 74.7 | 6% | 0.056 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 14.9 | 165.1 | 44.9 | 0 | 0 | 0 | 0 | 114.7 | L42 T43 G51 D55 | L42-S53 PolarHBondContact O-OG 3.4Å; L42-S53 VanDerWaalsContact O-OG 3.11Å; T43-S53 WeakPolarHBondContact CA-OG 3.41Å; G51-S53 PolarHBondContact O-N 2.9Å; S53-D55 PolarHBondContact O-N 3.28Å |
| 54 | K | 60.5 | Low | 75.7 | Confident | 147 Ų | 147 | 77.1 Ų | 77.1 | 64% | 0.639 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.9 | 170.5 | -65.2 | -175.9 | 178.7 | 179.2 | 0 | 112.3 | N52 N56 | N52-K54 PolarHBondContact O-N 3.47Å; K54-N56 PolarHBondContact O-N 3.28Å |
| 55 | D | 69.4 | Low | 75.4 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 47% | 0.465 | 42% | 0.417 | S | S | . | . | trans | -72.3 | 116.9 | 174.9 | -166.2 | -11.8 | 0 | 0 | 0 | 110.3 | N52 S53 E57 A58 V59 | N52-D55 PolarHBondContact O-N 2.92Å; S53-D55 PolarHBondContact O-N 3.28Å; D55-E57 PolarHBondContact O-N 3.22Å; D55-E57 WeakPolarHBondContact OD1-CB 3.25Å; D55-E57 PolarHBondContact OD1-N 3.37Å; D55-A58 HydrophobicContact CB-CB 4.13Å; D55-A58 PolarHBondContact O-N 2.9Å; D55-V59 PolarHBondContact O-N 3.32Å | ||
| 56 | N | 76.5 | Confident | 75.1 | Confident | 96 Ų | 96 | 74.3 Ų | 74.3 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.5 | -32.5 | 176.1 | -73.5 | -24.6 | 0 | 0 | 0 | 111.4 | K39 K54 V59 E60 | K39-N56 PolarHBondContact NZ-OD1 3.06Å; K54-N56 PolarHBondContact O-N 3.28Å; N56-V59 PolarHBondContact O-N 2.94Å; N56-E60 WeakPolarHBondContact O-CG 3.48Å; N56-E60 PolarHBondContact O-N 3.1Å |
| 57 | E | 79.9 | Confident | 75.3 | Confident | 147 Ų | 147 | 73.4 Ų | 73.4 | 69% | 0.687 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.7 | -38.2 | -179.2 | -169.1 | 174.4 | -177.5 | 0 | 0 | 112 | D55 V59 E60 K61 | D55-E57 PolarHBondContact O-N 3.22Å; D55-E57 WeakPolarHBondContact OD1-CB 3.25Å; D55-E57 PolarHBondContact OD1-N 3.37Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 PolarHBondContact O-N 3.39Å; E57-E60 WeakPolarHBondContact O-CB 3.42Å; E57-E60 PolarHBondContact O-N 2.59Å; E57-K61 PolarHBondContact O-N 3.11Å |
| 58 | A | 78.1 | Confident | 75.7 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | D55 K61 V62 | D55-A58 HydrophobicContact CB-CB 4.13Å; D55-A58 PolarHBondContact O-N 2.9Å; A58-K61 PolarHBondContact O-N 3.13Å; A58-V62 WeakPolarHBondContact O-CG2 3.42Å; A58-V62 PolarHBondContact O-N 3.47Å |
| 59 | V | 80.9 | Confident | 76.4 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.018 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | K39 D55 N56 E57 K61 V62 M63 | K39-V59 HydrophobicContact CB-CG1 3.93Å; K39-V59 HydrophobicContact CB-CG2 4.35Å; K39-V59 HydrophobicContact CD-CG2 4.43Å; K39-V59 HydrophobicContact CG-CG1 4.42Å; K39-V59 HydrophobicContact CG-CG2 4.01Å; D55-V59 PolarHBondContact O-N 3.32Å; N56-V59 PolarHBondContact O-N 2.94Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 PolarHBondContact O-N 3.39Å; V59-K61 VanDerWaalsContact C-N 3.3Å; V59-K61 PolarHBondContact O-N 3.35Å; V59-V62 PolarHBondContact O-N 3.24Å; V59-M63 VanDerWaalsContact O-CB 3.28Å; V59-M63 WeakPolarHBondContact O-CB 3.33Å; V59-M63 PolarHBondContact O-N 3.18Å |
| 60 | E | 83.4 | Confident | 77.4 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 38% | 0.379 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -54.1 | -49.3 | 170.6 | -75.1 | -67.9 | 159.3 | 0 | 0 | 110.9 | R35 N56 E57 M63 N64 | R35-E60 IonicContact CZ-OE1 2.7Å; R35-E60 IonicContact CZ-OE2 3Å; R35-E60 IonicContact NE-OE1 2.77Å; R35-E60 PolarHBondContact NE-OE1 3.05Å; R35-E60 IonicContact NE-OE2 3.79Å; R35-E60 IonicContact NH1-OE1 3.24Å; R35-E60 PolarHBondContact NH1-OE1 3.24Å; R35-E60 IonicContact NH1-OE2 2.66Å; R35-E60 PolarHBondContact NH1-OE2 3.24Å; R35-E60 IonicContact NH2-OE1 2.91Å; R35-E60 PolarHBondContact NH2-OE1 3.5Å; R35-E60 IonicContact NH2-OE2 3.27Å; R35-E60 PolarHBondContact NH2-OE2 3.13Å; N56-E60 WeakPolarHBondContact O-CG 3.48Å; N56-E60 PolarHBondContact O-N 3.1Å; E57-E60 WeakPolarHBondContact O-CB 3.42Å; E57-E60 PolarHBondContact O-N 2.59Å; E60-M63 PolarHBondContact O-N 3.06Å; E60-N64 WeakPolarHBondContact O-CB 3.47Å; E60-N64 PolarHBondContact O-N 2.92Å; E60-N64 PolarHBondContact O-ND2 3.47Å; E60-N64 VanDerWaalsContact O-ND2 3.14Å |
| 61 | K | 83.3 | Confident | 78.4 | Confident | 140 Ų | 140 | 75.9 Ų | 75.9 | 61% | 0.609 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.9 | -47.3 | -179.6 | -168.9 | -177.2 | 175 | -166.5 | 0 | 111.8 | E57 A58 V59 M63 N64 D65 | E57-K61 PolarHBondContact O-N 3.11Å; A58-K61 PolarHBondContact O-N 3.13Å; V59-K61 VanDerWaalsContact C-N 3.3Å; V59-K61 PolarHBondContact O-N 3.35Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-M63 PolarHBondContact O-N 2.87Å; K61-N64 PolarHBondContact O-N 3.36Å; K61-D65 WeakPolarHBondContact O-CB 3.32Å; K61-D65 PolarHBondContact O-N 2.85Å |
| 62 | V | 83 | Confident | 79.8 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 19% | 0.194 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | L42 A58 V59 D65 L66 L82 | L42-V62 HydrophobicContact CD1-CB 4.13Å; L42-V62 HydrophobicContact CD1-CG1 3.75Å; A58-V62 WeakPolarHBondContact O-CG2 3.42Å; A58-V62 PolarHBondContact O-N 3.47Å; V59-V62 PolarHBondContact O-N 3.24Å; V62-D65 PolarHBondContact O-N 3.05Å; V62-L66 HydrophobicContact CG1-CD1 3.69Å; V62-L66 HydrophobicContact CG1-CG 4.28Å; V62-L66 WeakPolarHBondContact O-CB 3.48Å; V62-L66 WeakPolarHBondContact O-CG 3.3Å; V62-L66 PolarHBondContact O-N 3.07Å; V62-L66 VanDerWaalsContact O-N 3.1Å; V62-L82 HydrophobicContact CG1-CD2 4.35Å |
| 63 | M | 85.6 | Confident | 81.6 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.02 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.7 | -51.7 | 174.7 | -171.9 | 81.6 | -170.2 | 0 | 0 | 110.7 | L38 V59 E60 K61 D65 L66 D67 G72 V74 | L38-M63 HydrophobicContact CD2-CB 4.16Å; L38-M63 HydrophobicContact CD2-CG 4.47Å; L38-M63 HydrophobicContact CD2-SD 3.45Å; L38-M63 WeakPolarHBondContact CD2-SD 3.34Å; V59-M63 VanDerWaalsContact O-CB 3.28Å; V59-M63 WeakPolarHBondContact O-CB 3.33Å; V59-M63 PolarHBondContact O-N 3.18Å; E60-M63 PolarHBondContact O-N 3.06Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-M63 PolarHBondContact O-N 2.87Å; M63-D65 VanDerWaalsContact C-N 3.25Å; M63-D65 PolarHBondContact O-N 3.38Å; M63-L66 PolarHBondContact O-N 3.47Å; M63-D67 HydrophobicContact CE-CB 4.39Å; M63-D67 VanDerWaalsContact O-CB 3.26Å; M63-D67 WeakPolarHBondContact O-CB 3.49Å; M63-D67 PolarHBondContact O-N 2.98Å; M63-G72 WeakPolarHBondContact CE-O 3.36Å; M63-V74 HydrophobicContact CE-CG2 3.72Å; M63-V74 HydrophobicContact SD-CG2 3.71Å |
| 64 | N | 86 | Confident | 83.4 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -29.6 | -178.8 | -64.9 | -24.8 | 0 | 0 | 0 | 113.1 | E60 K61 L66 | E60-N64 WeakPolarHBondContact O-CB 3.47Å; E60-N64 PolarHBondContact O-N 2.92Å; E60-N64 PolarHBondContact O-ND2 3.47Å; E60-N64 VanDerWaalsContact O-ND2 3.14Å; K61-N64 PolarHBondContact O-N 3.36Å; N64-L66 VanDerWaalsContact C-N 3.31Å |
| 65 | D | 83.1 | Confident | 85.1 | Confident | 118 Ų | 118 | 67.2 Ų | 67.2 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -75.9 | -21.4 | 175.7 | -70.4 | -19.8 | 0 | 0 | 0 | 112 | K61 V62 M63 | K61-D65 WeakPolarHBondContact O-CB 3.32Å; K61-D65 PolarHBondContact O-N 2.85Å; V62-D65 PolarHBondContact O-N 3.05Å; M63-D65 VanDerWaalsContact C-N 3.25Å; M63-D65 PolarHBondContact O-N 3.38Å |
| 66 | L | 84.2 | Confident | 86.3 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -102.1 | -39.4 | -176.8 | -67.5 | 178.6 | 0 | 0 | 0 | 114.9 | L38 V62 M63 N64 A68 V74 E78 L82 | L38-L66 HydrophobicContact CD2-CD1 4.49Å; V62-L66 HydrophobicContact CG1-CD1 3.69Å; V62-L66 HydrophobicContact CG1-CG 4.28Å; V62-L66 WeakPolarHBondContact O-CB 3.48Å; V62-L66 WeakPolarHBondContact O-CG 3.3Å; V62-L66 PolarHBondContact O-N 3.07Å; V62-L66 VanDerWaalsContact O-N 3.1Å; M63-L66 PolarHBondContact O-N 3.47Å; N64-L66 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 3.45Å; L66-V74 HydrophobicContact CB-CG1 4.48Å; L66-V74 HydrophobicContact CB-CG2 4.15Å; L66-E78 WeakPolarHBondContact O-CB 3.47Å; L66-E78 VanDerWaalsContact O-CG 3.29Å; L66-E78 WeakPolarHBondContact O-CG 3.29Å; L66-L82 HydrophobicContact CD1-CB 3.98Å; L66-L82 HydrophobicContact CD1-CD1 4.23Å; L66-L82 HydrophobicContact CD1-CD2 3.57Å; L66-L82 HydrophobicContact CD1-CG 4.08Å; L66-L82 HydrophobicContact CD2-CB 3.49Å; L66-L82 VanDerWaalsContact CD2-CB 3.49Å; L66-L82 HydrophobicContact CD2-CD1 3.94Å; L66-L82 HydrophobicContact CD2-CG 4.11Å; L66-L82 HydrophobicContact CG-CB 4.36Å; L66-L82 HydrophobicContact CG-CD1 4.44Å |
| 67 | D | 87.1 | Confident | 87.2 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 6% | 0.059 | 37% | 0.367 | C | S | . | . | trans | -70.8 | 74.8 | 177.5 | 178.2 | 8.9 | 0 | 0 | 0 | 109.3 | M63 N69 N70 D71 G72 | M63-D67 HydrophobicContact CE-CB 4.39Å; M63-D67 VanDerWaalsContact O-CB 3.26Å; M63-D67 WeakPolarHBondContact O-CB 3.49Å; M63-D67 PolarHBondContact O-N 2.98Å; D67-N69 VanDerWaalsContact C-N 3.27Å; D67-N69 PolarHBondContact O-N 3.29Å; D67-N69 PolarHBondContact OD1-OD1 2.89Å; D67-N70 VanDerWaalsContact CG-CA 3.5Å; D67-N70 PolarHBondContact O-N 2.87Å; D67-N70 WeakPolarHBondContact OD1-CA 3.33Å; D67-N70 PolarHBondContact OD1-N 3.34Å; D67-N70 WeakPolarHBondContact OD2-CA 3.39Å; D67-D71 PolarHBondContact OD1-N 3.17Å; D67-D71 PolarHBondContact OD2-N 2.71Å; D67-G72 VanDerWaalsContact OD2-CA 3.23Å; D67-G72 WeakPolarHBondContact OD2-CA 3.49Å; D67-G72 PolarHBondContact OD2-N 3.4Å | ||
| 68 | A | 85.9 | Confident | 87.9 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 67% | 0.669 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -71.2 | -30 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111 | L66 N70 E78 | L66-A68 PolarHBondContact O-N 3.45Å; A68-N70 PolarHBondContact O-ND2 2.9Å; A68-E78 PolarHBondContact N-OE1 3.46Å |
| 69 | N | 89.1 | Confident | 88.6 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -86.2 | -9.7 | 178.4 | 75.5 | 8.9 | 0 | 0 | 0 | 112.9 | D67 D71 | D67-N69 VanDerWaalsContact C-N 3.27Å; D67-N69 PolarHBondContact O-N 3.29Å; D67-N69 PolarHBondContact OD1-OD1 2.89Å; N69-D71 PolarHBondContact ND2-OD2 3.19Å; N69-D71 VanDerWaalsContact OD1-CB 3.3Å; N69-D71 WeakPolarHBondContact OD1-CB 3.31Å; N69-D71 PolarHBondContact OD1-N 2.96Å; N69-D71 PolarHBondContact OD1-OD1 3.12Å; N69-D71 PolarHBondContact OD1-OD2 2.95Å |
| 70 | N | 88.1 | Confident | 89.2 | Confident | 131 Ų | 131 | 60.5 Ų | 60.5 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | trans | 58.9 | 39.9 | -178.2 | -61.7 | -95.5 | 0 | 0 | 0 | 113.4 | D67 A68 | D67-N70 VanDerWaalsContact CG-CA 3.5Å; D67-N70 PolarHBondContact O-N 2.87Å; D67-N70 WeakPolarHBondContact OD1-CA 3.33Å; D67-N70 PolarHBondContact OD1-N 3.34Å; D67-N70 WeakPolarHBondContact OD2-CA 3.39Å; A68-N70 PolarHBondContact O-ND2 2.9Å | ||
| 71 | D | 90.1 | Very high | 89.5 | Confident | 87 Ų | 87 | 61.9 Ų | 61.9 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -89.9 | -7.3 | 175.9 | 73.2 | 15.4 | 0 | 0 | 0 | 113.6 | D67 N69 E73 | D67-D71 PolarHBondContact OD1-N 3.17Å; D67-D71 PolarHBondContact OD2-N 2.71Å; N69-D71 PolarHBondContact ND2-OD2 3.19Å; N69-D71 VanDerWaalsContact OD1-CB 3.3Å; N69-D71 WeakPolarHBondContact OD1-CB 3.31Å; N69-D71 PolarHBondContact OD1-N 2.96Å; N69-D71 PolarHBondContact OD1-OD1 3.12Å; N69-D71 PolarHBondContact OD1-OD2 2.95Å; D71-E73 VanDerWaalsContact C-N 3.33Å; D71-E73 WeakPolarHBondContact OD1-CA 3.43Å; D71-E73 PolarHBondContact OD1-N 3.35Å |
| 72 | G | 89.5 | Confident | 89.6 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 83.1 | 8.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M63 D67 | M63-G72 WeakPolarHBondContact CE-O 3.36Å; D67-G72 VanDerWaalsContact OD2-CA 3.23Å; D67-G72 WeakPolarHBondContact OD2-CA 3.49Å; D67-G72 PolarHBondContact OD2-N 3.4Å |
| 73 | E | 93.3 | Very high | 89.9 | Confident | 56 Ų | 56 | 56 Ų | 56 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -125.7 | 170.6 | 173.7 | -55.8 | -169.6 | 160.6 | 0 | 0 | 110.1 | T32 L33 D71 | T32-E73 VanDerWaalsContact CB-OE2 3.31Å; T32-E73 WeakPolarHBondContact CB-OE2 3.33Å; T32-E73 HydrophobicContact CG2-CB 4.27Å; T32-E73 WeakPolarHBondContact CG2-OE2 3.19Å; T32-E73 PolarHBondContact OG1-OE2 3.38Å; L33-E73 CarbonylContact O-C 3.27Å; L33-E73 WeakPolarHBondContact O-CA 3.27Å; D71-E73 VanDerWaalsContact C-N 3.33Å; D71-E73 WeakPolarHBondContact OD1-CA 3.43Å; D71-E73 PolarHBondContact OD1-N 3.35Å |
| 74 | V | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 113.9 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | T32 L33 L38 M63 L66 E78 F79 | T32-V74 CarbonylContact C-O 3.6Å; T32-V74 VanDerWaalsContact CA-O 3.31Å; T32-V74 WeakPolarHBondContact CA-O 3.28Å; L33-V74 HydrophobicContact CB-CB 4.26Å; L33-V74 PolarHBondContact N-O 3.46Å; L33-V74 PolarHBondContact O-N 2.89Å; L38-V74 HydrophobicContact CD2-CG2 4.11Å; M63-V74 HydrophobicContact CE-CG2 3.72Å; M63-V74 HydrophobicContact SD-CG2 3.71Å; L66-V74 HydrophobicContact CB-CG1 4.48Å; L66-V74 HydrophobicContact CB-CG2 4.15Å; V74-E78 WeakPolarHBondContact CA-OE2 3.45Å; V74-E78 HydrophobicContact CG1-CB 3.74Å; V74-F79 HydrophobicContact CG1-CB 4.27Å |
| 75 | D | 95.6 | Very high | 90 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 174.3 | 176.5 | 85.2 | 14.9 | 0 | 0 | 0 | 112.5 | T32 T77 E78 F79 | T32-D75 HydrophobicContact CG2-CB 4.3Å; D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 PolarHBondContact O-N 3.19Å; D75-T77 VanDerWaalsContact OD1-CA 3.26Å; D75-T77 WeakPolarHBondContact OD1-CA 3.5Å; D75-T77 WeakPolarHBondContact OD1-CB 3.44Å; D75-T77 PolarHBondContact OD1-N 2.68Å; D75-E78 PolarHBondContact N-OE2 3.04Å; D75-E78 PolarHBondContact O-N 3.01Å; D75-E78 PolarHBondContact OD1-N 2.94Å; D75-F79 WeakPolarHBondContact O-CB 3.34Å; D75-F79 PolarHBondContact O-N 3.31Å |
| 76 | F | 95.3 | Very high | 90 | Very high | 71 Ų | 71 | 51.8 Ų | 51.8 | 31% | 0.311 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.9 | -31.1 | -179.1 | -174 | -104.7 | 0 | 0 | 0 | 113.5 | I17 F20 F79 I80 | I17-F76 HydrophobicContact CB-CZ 4.49Å; I17-F76 HydrophobicContact CG1-CE1 4.35Å; I17-F76 HydrophobicContact CG1-CE2 4.07Å; I17-F76 HydrophobicContact CG1-CZ 3.57Å; F20-F76 HydrophobicContact CB-CD2 3.86Å; F20-F76 HydrophobicContact CB-CE2 3.96Å; F20-F76 AromaticContact CD1-CD2 3.78Å; F20-F76 HydrophobicContact CD1-CD2 3.78Å; F20-F76 AromaticContact CD2-CD2 3.95Å; F20-F76 HydrophobicContact CD2-CD2 3.95Å; F20-F76 HydrophobicContact CE1-CB 4.19Å; F20-F76 HydrophobicContact CE1-CD2 4.3Å; F20-F76 HydrophobicContact CE2-CB 4.42Å; F20-F76 HydrophobicContact CE2-CD2 4.43Å; F20-F76 AromaticContact CG-CD2 3.59Å; F20-F76 HydrophobicContact CG-CD2 3.59Å; F20-F76 HydrophobicContact CG-CE2 4.21Å; F20-F76 HydrophobicContact CZ-CB 4.14Å; F76-F79 HydrophobicContact CD2-CD1 4.06Å; F76-F79 AromaticContact CE2-CD1 3.95Å; F76-F79 HydrophobicContact CE2-CD1 3.95Å; F76-F79 HydrophobicContact CE2-CE1 4.25Å; F76-I80 HydrophobicContact CD1-CG1 4.3Å; F76-I80 HydrophobicContact CE1-CG1 3.7Å; F76-I80 HydrophobicContact CE2-CD1 4.37Å; F76-I80 HydrophobicContact CE2-CG1 4.07Å; F76-I80 HydrophobicContact CZ-CD1 3.98Å; F76-I80 HydrophobicContact CZ-CG1 3.57Å; F76-I80 PolarHBondContact O-N 2.98Å |
| 77 | T | 95.1 | Very high | 90.1 | Very high | 91 Ų | 91 | 55.6 Ų | 55.6 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.7 | -48.9 | 178 | -50.1 | 0 | 0 | 0 | 0 | 109.8 | D75 I80 I81 | D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 PolarHBondContact O-N 3.19Å; D75-T77 VanDerWaalsContact OD1-CA 3.26Å; D75-T77 WeakPolarHBondContact OD1-CA 3.5Å; D75-T77 WeakPolarHBondContact OD1-CB 3.44Å; D75-T77 PolarHBondContact OD1-N 2.68Å; T77-I80 PolarHBondContact O-N 2.92Å; T77-I81 HydrophobicContact CG2-CD1 4.26Å; T77-I81 WeakPolarHBondContact O-CG1 3.44Å; T77-I81 PolarHBondContact O-N 3.18Å |
| 78 | E | 94.2 | Very high | 90.1 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.1 | -68.4 | 169.7 | 147 | 0 | 0 | 111.2 | L66 A68 V74 D75 I80 I81 L82 | L66-E78 WeakPolarHBondContact O-CB 3.47Å; L66-E78 VanDerWaalsContact O-CG 3.29Å; L66-E78 WeakPolarHBondContact O-CG 3.29Å; A68-E78 PolarHBondContact N-OE1 3.46Å; V74-E78 WeakPolarHBondContact CA-OE2 3.45Å; V74-E78 HydrophobicContact CG1-CB 3.74Å; D75-E78 PolarHBondContact N-OE2 3.04Å; D75-E78 PolarHBondContact O-N 3.01Å; D75-E78 PolarHBondContact OD1-N 2.94Å; E78-I80 PolarHBondContact O-N 2.83Å; E78-I81 PolarHBondContact O-N 3.4Å; E78-L82 PolarHBondContact O-N 2.93Å |
| 79 | F | 92.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57 | -46.2 | 172.6 | 168.8 | -103.8 | 0 | 0 | 0 | 113 | F20 L33 L41 V74 D75 F76 I81 L82 M83 | F20-F79 HydrophobicContact CB-CD1 4.09Å; F20-F79 HydrophobicContact CB-CE1 4Å; F20-F79 HydrophobicContact CB-CZ 4.49Å; F20-F79 HydrophobicContact CD2-CB 3.73Å; F20-F79 AromaticContact CD2-CD1 3.75Å; F20-F79 HydrophobicContact CD2-CD1 3.75Å; F20-F79 HydrophobicContact CD2-CD2 4.15Å; F20-F79 HydrophobicContact CD2-CE1 4.41Å; F20-F79 AromaticContact CD2-CG 3.59Å; F20-F79 HydrophobicContact CD2-CG 3.59Å; F20-F79 HydrophobicContact CE2-CB 3.86Å; F20-F79 HydrophobicContact CE2-CG 4.23Å; F20-F79 HydrophobicContact CG-CD1 4.3Å; L33-F79 HydrophobicContact CD1-CD2 4.38Å; L41-F79 HydrophobicContact CD1-CD2 4.34Å; L41-F79 HydrophobicContact CD1-CE2 3.81Å; L41-F79 HydrophobicContact CD2-CE2 4.17Å; V74-F79 HydrophobicContact CG1-CB 4.27Å; D75-F79 WeakPolarHBondContact O-CB 3.34Å; D75-F79 PolarHBondContact O-N 3.31Å; F76-F79 HydrophobicContact CD2-CD1 4.06Å; F76-F79 AromaticContact CE2-CD1 3.95Å; F76-F79 HydrophobicContact CE2-CD1 3.95Å; F76-F79 HydrophobicContact CE2-CE1 4.25Å; F79-I81 VanDerWaalsContact C-N 3.33Å; F79-I81 PolarHBondContact O-N 3.15Å; F79-L82 WeakPolarHBondContact O-CB 3.13Å; F79-L82 PolarHBondContact O-N 3.12Å; F79-M83 HydrophobicContact CD1-CG 4.47Å; F79-M83 HydrophobicContact CD2-CG 4.46Å; F79-M83 HydrophobicContact CE1-CG 3.96Å; F79-M83 HydrophobicContact CE2-CE 4.02Å; F79-M83 HydrophobicContact CE2-CG 3.94Å; F79-M83 HydrophobicContact CE2-SD 4.1Å; F79-M83 HydrophobicContact CZ-CG 3.66Å; F79-M83 HydrophobicContact CZ-SD 4.04Å; F79-M83 WeakPolarHBondContact O-CG 3.44Å; F79-M83 PolarHBondContact O-N 3.07Å; F79-M83 VanDerWaalsContact O-N 3.13Å |
| 80 | I | 93.3 | Very high | 89.3 | Confident | 58 Ų | 58 | 55.1 Ų | 55.1 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.1 | -32.1 | -179.6 | -79.8 | -52.2 | 0 | 0 | 0 | 112.5 | L16 F76 T77 E78 L82 M83 G84 | L16-I80 HydrophobicContact CB-CD1 4Å; L16-I80 HydrophobicContact CD1-CD1 3.85Å; L16-I80 HydrophobicContact CD2-CD1 4.32Å; L16-I80 HydrophobicContact CG-CD1 4.28Å; F76-I80 HydrophobicContact CD1-CG1 4.3Å; F76-I80 HydrophobicContact CE1-CG1 3.7Å; F76-I80 HydrophobicContact CE2-CD1 4.37Å; F76-I80 HydrophobicContact CE2-CG1 4.07Å; F76-I80 HydrophobicContact CZ-CD1 3.98Å; F76-I80 HydrophobicContact CZ-CG1 3.57Å; F76-I80 PolarHBondContact O-N 2.98Å; T77-I80 PolarHBondContact O-N 2.92Å; E78-I80 PolarHBondContact O-N 2.83Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 3.32Å; I80-M83 HydrophobicContact CD1-CB 4.44Å; I80-M83 HydrophobicContact CD1-CG 4.49Å; I80-M83 PolarHBondContact O-N 3.37Å; I80-G84 PolarHBondContact O-N 3.44Å |
| 81 | I | 90 | Very high | 88.9 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 57% | 0.569 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 173.1 | -69.6 | 165.8 | 0 | 0 | 0 | 110.1 | T77 E78 F79 M83 G84 A85 | T77-I81 HydrophobicContact CG2-CD1 4.26Å; T77-I81 WeakPolarHBondContact O-CG1 3.44Å; T77-I81 PolarHBondContact O-N 3.18Å; E78-I81 PolarHBondContact O-N 3.4Å; F79-I81 VanDerWaalsContact C-N 3.33Å; F79-I81 PolarHBondContact O-N 3.15Å; I81-M83 PolarHBondContact O-N 2.89Å; I81-G84 PolarHBondContact O-N 2.88Å; I81-A85 PolarHBondContact O-N 2.69Å |
| 82 | L | 85.1 | Confident | 88.1 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.3 | -51 | 172.3 | -174 | 59.6 | 0 | 0 | 0 | 111.7 | L42 V62 L66 E78 F79 I80 G84 A85 L86 | L42-L82 HydrophobicContact CD2-CD2 4.1Å; V62-L82 HydrophobicContact CG1-CD2 4.35Å; L66-L82 HydrophobicContact CD1-CB 3.98Å; L66-L82 HydrophobicContact CD1-CD1 4.23Å; L66-L82 HydrophobicContact CD1-CD2 3.57Å; L66-L82 HydrophobicContact CD1-CG 4.08Å; L66-L82 HydrophobicContact CD2-CB 3.49Å; L66-L82 VanDerWaalsContact CD2-CB 3.49Å; L66-L82 HydrophobicContact CD2-CD1 3.94Å; L66-L82 HydrophobicContact CD2-CG 4.11Å; L66-L82 HydrophobicContact CG-CB 4.36Å; L66-L82 HydrophobicContact CG-CD1 4.44Å; E78-L82 PolarHBondContact O-N 2.93Å; F79-L82 WeakPolarHBondContact O-CB 3.13Å; F79-L82 PolarHBondContact O-N 3.12Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 3.32Å; L82-G84 PolarHBondContact O-N 2.95Å; L82-A85 PolarHBondContact O-N 3.47Å; L82-A85 VanDerWaalsContact O-N 3.13Å; L82-L86 HydrophobicContact CD1-CD1 4.31Å; L82-L86 HydrophobicContact CD1-CG 4.28Å; L82-L86 HydrophobicContact CD2-CD1 4.43Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 2.92Å |
| 83 | M | 89.4 | Confident | 86.8 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -37.6 | -176 | -65.9 | -59.7 | 101.4 | 0 | 0 | 110.8 | L16 L46 F79 I80 I81 L86 T87 | L16-M83 HydrophobicContact CD2-CB 4.21Å; L16-M83 HydrophobicContact CD2-CG 3.91Å; L16-M83 HydrophobicContact CD2-SD 4.42Å; L46-M83 HydrophobicContact CD1-CE 3.88Å; F79-M83 HydrophobicContact CD1-CG 4.47Å; F79-M83 HydrophobicContact CD2-CG 4.46Å; F79-M83 HydrophobicContact CE1-CG 3.96Å; F79-M83 HydrophobicContact CE2-CE 4.02Å; F79-M83 HydrophobicContact CE2-CG 3.94Å; F79-M83 HydrophobicContact CE2-SD 4.1Å; F79-M83 HydrophobicContact CZ-CG 3.66Å; F79-M83 HydrophobicContact CZ-SD 4.04Å; F79-M83 WeakPolarHBondContact O-CG 3.44Å; F79-M83 PolarHBondContact O-N 3.07Å; F79-M83 VanDerWaalsContact O-N 3.13Å; I80-M83 HydrophobicContact CD1-CB 4.44Å; I80-M83 HydrophobicContact CD1-CG 4.49Å; I80-M83 PolarHBondContact O-N 3.37Å; I81-M83 PolarHBondContact O-N 2.89Å; M83-L86 HydrophobicContact CE-CD1 3.74Å; M83-T87 VanDerWaalsContact O-CB 3.27Å; M83-T87 WeakPolarHBondContact O-CB 3.35Å; M83-T87 PolarHBondContact O-N 3.46Å; M83-T87 PolarHBondContact O-OG1 2.66Å |
| 84 | G | 89.8 | Confident | 85 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I80 I81 L82 L86 T87 V88 | I80-G84 PolarHBondContact O-N 3.44Å; I81-G84 PolarHBondContact O-N 2.88Å; L82-G84 PolarHBondContact O-N 2.95Å; G84-L86 PolarHBondContact O-N 3.01Å; G84-T87 PolarHBondContact O-N 3.37Å; G84-V88 WeakPolarHBondContact O-CG2 3.44Å; G84-V88 PolarHBondContact O-N 3.3Å |
| 85 | A | 84.6 | Confident | 83.3 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I81 L82 V88 A89 | I81-A85 PolarHBondContact O-N 2.69Å; L82-A85 PolarHBondContact O-N 3.47Å; L82-A85 VanDerWaalsContact O-N 3.13Å; A85-V88 PolarHBondContact O-N 2.91Å; A85-A89 PolarHBondContact O-N 2.97Å |
| 86 | L | 82.6 | Confident | 81.4 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 18% | 0.178 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.1 | -70.6 | 174.2 | 0 | 0 | 0 | 111 | L46 L50 L82 M83 G84 V88 A89 C90 | L46-L86 HydrophobicContact CD1-CD1 3.88Å; L50-L86 HydrophobicContact CD2-CD2 4.38Å; L82-L86 HydrophobicContact CD1-CD1 4.31Å; L82-L86 HydrophobicContact CD1-CG 4.28Å; L82-L86 HydrophobicContact CD2-CD1 4.43Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 2.92Å; M83-L86 HydrophobicContact CE-CD1 3.74Å; G84-L86 PolarHBondContact O-N 3.01Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.43Å; L86-A89 PolarHBondContact O-N 3.44Å; L86-C90 PolarHBondContact O-N 2.93Å; L86-C90 PolarHBondContact O-SG 3.49Å |
| 87 | T | 87.6 | Confident | 79.4 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 56% | 0.564 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 112 | M83 G84 C90 N91 | M83-T87 VanDerWaalsContact O-CB 3.27Å; M83-T87 WeakPolarHBondContact O-CB 3.35Å; M83-T87 PolarHBondContact O-N 3.46Å; M83-T87 PolarHBondContact O-OG1 2.66Å; G84-T87 PolarHBondContact O-N 3.37Å; T87-C90 WeakPolarHBondContact O-CB 3.3Å; T87-C90 PolarHBondContact O-N 3.29Å; T87-N91 VanDerWaalsContact O-CB 3.29Å; T87-N91 WeakPolarHBondContact O-CB 3.37Å; T87-N91 PolarHBondContact O-N 3.43Å |
| 88 | V | 86.4 | Confident | 77.3 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | G84 A85 L86 C90 N91 D92 | G84-V88 WeakPolarHBondContact O-CG2 3.44Å; G84-V88 PolarHBondContact O-N 3.3Å; A85-V88 PolarHBondContact O-N 2.91Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.43Å; V88-C90 VanDerWaalsContact C-N 3.32Å; V88-C90 PolarHBondContact O-N 2.92Å; V88-N91 WeakPolarHBondContact O-CB 3.5Å; V88-N91 PolarHBondContact O-N 3.21Å; V88-N91 VanDerWaalsContact O-N 3.07Å; V88-D92 PolarHBondContact O-N 2.93Å |
| 89 | A | 80.1 | Confident | 75.3 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A85 L86 F93 | A85-A89 PolarHBondContact O-N 2.97Å; L86-A89 PolarHBondContact O-N 3.44Å; A89-F93 PolarHBondContact O-N 3.33Å |
| 90 | C | 77 | Confident | 73.4 | Confident | 29 Ų | 29 | 84.1 Ų | 84.1 | 20% | 0.196 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 171.6 | -61.7 | 0 | 0 | 0 | 0 | 111 | Y49 L86 T87 V88 D92 F93 F94 | Y49-C90 PolarHBondContact OH-SG 3.14Å; L86-C90 PolarHBondContact O-N 2.93Å; L86-C90 PolarHBondContact O-SG 3.49Å; T87-C90 WeakPolarHBondContact O-CB 3.3Å; T87-C90 PolarHBondContact O-N 3.29Å; V88-C90 VanDerWaalsContact C-N 3.32Å; V88-C90 PolarHBondContact O-N 2.92Å; C90-D92 PolarHBondContact O-N 3.4Å; C90-F93 WeakPolarHBondContact O-CB 3.23Å; C90-F93 PolarHBondContact O-N 3.24Å; C90-F94 WeakPolarHBondContact O-CD2 3.37Å; C90-F94 PolarHBondContact O-N 3.23Å |
| 91 | N | 80.5 | Confident | 71.6 | Confident | 80 Ų | 80 | 88.9 Ų | 88.9 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | -177.1 | 174.8 | 80.1 | 0 | 0 | 0 | 111.7 | T87 V88 F93 F94 L95 | T87-N91 VanDerWaalsContact O-CB 3.29Å; T87-N91 WeakPolarHBondContact O-CB 3.37Å; T87-N91 PolarHBondContact O-N 3.43Å; V88-N91 WeakPolarHBondContact O-CB 3.5Å; V88-N91 PolarHBondContact O-N 3.21Å; V88-N91 VanDerWaalsContact O-N 3.07Å; N91-F93 VanDerWaalsContact C-N 3.34Å; N91-F93 PolarHBondContact O-N 3.38Å; N91-F94 PolarHBondContact O-N 2.55Å; N91-F94 VanDerWaalsContact O-N 3.14Å; N91-L95 WeakPolarHBondContact ND2-CD1 3.18Å; N91-L95 WeakPolarHBondContact O-CG 3.49Å; N91-L95 PolarHBondContact O-N 2.76Å |
| 92 | D | 72.9 | Confident | 69.8 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.9 | -66.8 | -11.2 | 0 | 0 | 0 | 110.9 | V88 C90 F94 L95 D96 | V88-D92 PolarHBondContact O-N 2.93Å; C90-D92 PolarHBondContact O-N 3.4Å; D92-F94 VanDerWaalsContact C-N 3.29Å; D92-F94 PolarHBondContact O-N 3.45Å; D92-L95 PolarHBondContact O-N 2.96Å; D92-L95 VanDerWaalsContact O-N 3.12Å; D92-D96 WeakPolarHBondContact O-CB 3.16Å; D92-D96 PolarHBondContact O-N 3.17Å |
| 93 | F | 62.5 | Low | 67.9 | Low | 140 Ų | 140 | 94.2 Ų | 94.2 | 61% | 0.614 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.5 | -38.5 | 172.8 | -178.5 | -93.6 | 0 | 0 | 0 | 112.8 | A89 C90 N91 S97 | A89-F93 PolarHBondContact O-N 3.33Å; C90-F93 WeakPolarHBondContact O-CB 3.23Å; C90-F93 PolarHBondContact O-N 3.24Å; N91-F93 VanDerWaalsContact C-N 3.34Å; N91-F93 PolarHBondContact O-N 3.38Å; F93-S97 WeakPolarHBondContact O-CB 3.45Å; F93-S97 PolarHBondContact O-N 3.23Å; F93-S97 PolarHBondContact O-OG 3.34Å |
| 94 | F | 55.7 | Low | 66.2 | Low | 145 Ų | 145 | 102.5 Ų | 102.5 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.7 | -26.2 | 176.6 | -83.6 | -70.7 | 0 | 0 | 0 | 113.8 | C90 N91 D92 S97 | C90-F94 WeakPolarHBondContact O-CD2 3.37Å; C90-F94 PolarHBondContact O-N 3.23Å; N91-F94 PolarHBondContact O-N 2.55Å; N91-F94 VanDerWaalsContact O-N 3.14Å; D92-F94 VanDerWaalsContact C-N 3.29Å; D92-F94 PolarHBondContact O-N 3.45Å; F94-S97 WeakPolarHBondContact CA-OG 3.09Å; F94-S97 PolarHBondContact O-OG 3.22Å |
| 95 | L | 58.9 | Low | 64.2 | Low | 86 Ų | 86 | 108.9 Ų | 108.9 | 45% | 0.45 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -81.5 | -34.8 | 177 | -70.6 | 177.1 | 0 | 0 | 0 | 112.4 | N91 D92 S97 | N91-L95 WeakPolarHBondContact ND2-CD1 3.18Å; N91-L95 WeakPolarHBondContact O-CG 3.49Å; N91-L95 PolarHBondContact O-N 2.76Å; D92-L95 PolarHBondContact O-N 2.96Å; D92-L95 VanDerWaalsContact O-N 3.12Å; L95-S97 VanDerWaalsContact C-N 3.31Å |
| 96 | D | 56.2 | Low | 62.3 | Low | 146 Ų | 146 | 109.5 Ų | 109.5 | 78% | 0.781 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.8 | -17.5 | 177.2 | -78.8 | -7.2 | 0 | 0 | 0 | 113.4 | D92 | D92-D96 WeakPolarHBondContact O-CB 3.16Å; D92-D96 PolarHBondContact O-N 3.17Å |
| 97 | S | 53.7 | Low | 60.8 | Low | 67 Ų | 67 | 112.9 Ų | 112.9 | 47% | 0.469 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.4 | 17.9 | -179.9 | 46.6 | 0 | 0 | 0 | 0 | 114.6 | F93 F94 L95 P99 | F93-S97 WeakPolarHBondContact O-CB 3.45Å; F93-S97 PolarHBondContact O-N 3.23Å; F93-S97 PolarHBondContact O-OG 3.34Å; F94-S97 WeakPolarHBondContact CA-OG 3.09Å; F94-S97 PolarHBondContact O-OG 3.22Å; L95-S97 VanDerWaalsContact C-N 3.31Å; S97-P99 WeakPolarHBondContact O-CD 3.47Å |
| 98 | K | 49.3 | Very low | 58.8 | Low | 144 Ų | 144 | 116.5 Ų | 116.5 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | trans | -60.7 | 125.1 | 167.7 | -79.6 | -163.4 | -178.5 | 71.1 | 0 | 109.1 | D100 | K98-D100 PolarHBondContact O-N 3.06Š| ||
| 99 | P | 53 | Low | 57.2 | Low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | trans | -63 | 126.2 | 170.2 | 26.7 | -30.3 | 0 | 0 | 0 | 107.1 | S97 D101 | S97-P99 WeakPolarHBondContact O-CD 3.47Å; P99-D101 PolarHBondContact O-N 3.23Å | ||
| 100 | D | 53.6 | Low | 55.7 | Low | 148 Ų | 148 | 127.4 Ų | 127.4 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | trans | -45.3 | 119.4 | 172.7 | -70 | -52.3 | 0 | 0 | 0 | 109.6 | K98 K102 | K98-D100 PolarHBondContact O-N 3.06Å; D100-K102 PolarHBondContact O-N 2.82Å | ||
| 101 | D | 54.8 | Low | 54.7 | Low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -61.4 | 90.7 | 161.3 | -176.9 | 29.7 | 0 | 0 | 0 | 106.8 | P99 G103 | P99-D101 PolarHBondContact O-N 3.23Å; D101-G103 PolarHBondContact O-N 2.83Å | ||
| 102 | K | 51.9 | Low | 53.4 | Low | 195 Ų | 195 | 139.8 Ų | 139.8 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | trans | -70.1 | 81.2 | 163.8 | -79.3 | -168 | 179.4 | 178.2 | 0 | 107.4 | D100 K104 | D100-K102 PolarHBondContact O-N 2.82Å; K102-K104 PolarHBondContact O-N 3.47Å | ||
| 103 | G | 44.9 | Very low | 52.4 | Low | 54 Ų | 54 | 142.8 Ų | 142.8 | 56% | 0.557 | 76% | 0.758 | S | S | * | * | trans | -46.1 | 130.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | D101 D105 | D101-G103 PolarHBondContact O-N 2.83Å; G103-D105 PolarHBondContact O-N 3.4Å | ||
| 104 | K | 54.1 | Low | 51.9 | Low | 197 Ų | 197 | 143 Ų | 143 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -52.5 | 129.2 | 159.9 | -71.7 | 171 | 174.3 | 172.6 | 0 | 109.1 | K102 | K102-K104 PolarHBondContact O-N 3.47Š| ||
| 105 | D | 48.3 | Very low | 51.6 | Low | 171 Ų | 171 | 142.9 Ų | 142.9 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | trans | 174.8 | 135.7 | 142.7 | -81.6 | -24.4 | 0 | 0 | 0 | 105.9 | G103 | G103-D105 PolarHBondContact O-N 3.4Š| ||
| 106 | G | 43.6 | Very low | 51.2 | Low | 73 Ų | 73 | 146.4 Ų | 146.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | -159.8 | 170.8 | 8.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 107 | A | 51.6 | Low | 50.8 | Low | 105 Ų | 105 | 146.5 Ų | 146.5 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -67.5 | 144.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 108 | E | 45.1 | Very low | 50.6 | Low | 168 Ų | 168 | 152.1 Ų | 152.1 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -145.3 | 113.8 | 142.7 | -149.3 | 172.5 | 133.2 | 0 | 0 | 110.1 | ||||
| 109 | K | 52.5 | Low | 50.7 | Low | 199 Ų | 199 | 152.8 Ų | 152.8 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -57.4 | 141.3 | 161.8 | -79.4 | 173.5 | 169.8 | 176.9 | 0 | 108.7 | ||||
| 110 | K | 49.6 | Very low | 50.5 | Low | 171 Ų | 171 | 155.6 Ų | 155.6 | 74% | 0.743 | 84% | 0.837 | S | S | * | * | trans | -145.5 | 109.8 | 147.6 | -108.9 | 171.4 | -173.2 | 167.9 | 0 | 110 | ||||
| 111 | D | 56.7 | Low | 50.3 | Low | 229 Ų | 229 | 156.3 Ų | 156.3 | 100% | 1.225 | 84% | 0.841 | S | S | * | * | trans | 48.9 | 0 | 150.2 | -49.4 | -40.7 | 0 | 0 | 0 | 120.3 |
Retrieved 111 of 111 residues in 98.7 ms
(Link to these results)