| 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 | 55.5 | Low | 77 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | 0 | 168.8 | 0 | -75.3 | 170.2 | 169.1 | 0 | 0 | 108.7 | P3 K14 K17 I18 | M1-P3 WeakPolarHBondContact O-CD 3.38Å; M1-P3 WeakPolarHBondContact O-CG 3.35Å; M1-K14 HydrophobicContact CB-CG 4.49Å; M1-K14 HydrophobicContact CE-CG 4.41Å; M1-K14 HydrophobicContact SD-CB 4.33Å; M1-K14 HydrophobicContact SD-CD 4.41Å; M1-K14 HydrophobicContact SD-CG 3.35Å; M1-K14 WeakPolarHBondContact SD-CG 3.39Å; M1-K17 HydrophobicContact CE-CB 3.41Å; M1-K17 VanDerWaalsContact CE-CB 3.41Å; M1-K17 HydrophobicContact CE-CD 3.19Å; M1-K17 HydrophobicContact CE-CG 3.21Å; M1-I18 HydrophobicContact CE-CG1 4.3Å; M1-I18 HydrophobicContact SD-CD1 4.24Å; M1-I18 HydrophobicContact SD-CG1 3.96Å | |||
| 2 | N | 67.4 | Low | 78.2 | Confident | 105 Ų | 105 | 57.5 Ų | 57.5 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | trans | -74.7 | 114.5 | 171.1 | -169.8 | 0.4 | 0 | 0 | 0 | 109.5 | I4 K14 | N2-I4 VanDerWaalsContact C-N 3.28Å; N2-I4 VanDerWaalsContact OD1-CB 3.29Å; N2-I4 WeakPolarHBondContact OD1-CB 3.36Å; N2-I4 WeakPolarHBondContact OD1-CD1 3.24Å; N2-I4 WeakPolarHBondContact OD1-CG1 3.31Å; N2-I4 PolarHBondContact OD1-N 3.41Å; N2-K14 WeakPolarHBondContact O-CE 3.46Å; N2-K14 PolarHBondContact O-NZ 2.96Å | ||
| 3 | P | 59.6 | Low | 79.3 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.045 | 33% | 0.331 | C | S | . | . | trans | -86.8 | -5.8 | -175.1 | -15.9 | 39.9 | 0 | 0 | 0 | 112.1 | M1 I52 S64 V97 | M1-P3 WeakPolarHBondContact O-CD 3.38Å; M1-P3 WeakPolarHBondContact O-CG 3.35Å; P3-I52 HydrophobicContact CB-CD1 3.7Å; P3-I52 HydrophobicContact CB-CG1 3.54Å; P3-I52 VanDerWaalsContact CD-CD1 3.42Å; P3-I52 HydrophobicContact CG-CD1 3.44Å; P3-I52 VanDerWaalsContact CG-CD1 3.44Å; P3-I52 HydrophobicContact CG-CG1 3.32Å; P3-S64 PolarHBondContact O-OG 3.14Å; P3-V97 HydrophobicContact CG-CG1 3.75Å; P3-V97 HydrophobicContact CG-CG2 4.21Å | ||
| 4 | I | 74.5 | Confident | 80.3 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -59.3 | 133.9 | 175.9 | -64.9 | 172.9 | 0 | 0 | 0 | 109.3 | N2 S6 | N2-I4 VanDerWaalsContact C-N 3.28Å; N2-I4 VanDerWaalsContact OD1-CB 3.29Å; N2-I4 WeakPolarHBondContact OD1-CB 3.36Å; N2-I4 WeakPolarHBondContact OD1-CD1 3.24Å; N2-I4 WeakPolarHBondContact OD1-CG1 3.31Å; N2-I4 PolarHBondContact OD1-N 3.41Å; I4-S6 PolarHBondContact O-N 3.36Å; I4-S6 VanDerWaalsContact O-N 3.17Å |
| 5 | P | 68.9 | Low | 81.2 | Confident | 78 Ų | 78 | 57.3 Ų | 57.3 | 51% | 0.506 | 29% | 0.293 | S | S | . | . | trans | -57.4 | 119.7 | 178.3 | 21.5 | -32.6 | 0 | 0 | 0 | 111 | R171 | P5-R171 VanDerWaalsContact CB-NH1 3.3Š| ||
| 6 | S | 75.4 | Confident | 81.9 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | trans | -121.4 | -174.5 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 110.8 | I4 S10 E11 R171 | I4-S6 PolarHBondContact O-N 3.36Å; I4-S6 VanDerWaalsContact O-N 3.17Å; S6-S10 WeakPolarHBondContact CB-OG 3.23Å; S6-S10 PolarHBondContact OG-OG 3.04Å; S6-E11 PolarHBondContact N-OE1 2.96Å; S6-E11 PolarHBondContact OG-OE1 2.95Å; S6-R171 PolarHBondContact O-NH2 2.94Å | ||
| 7 | N | 86.8 | Confident | 82.5 | Confident | 103 Ų | 103 | 57.1 Ų | 57.1 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | trans | -66.8 | 157 | 179.7 | 62.8 | 39 | 0 | 0 | 0 | 111.8 | R9 S10 E11 | N7-R9 PolarHBondContact O-N 3.33Å; N7-R9 VanDerWaalsContact O-N 3.13Å; N7-R9 PolarHBondContact OD1-N 2.81Å; N7-S10 PolarHBondContact N-OG 2.91Å; N7-S10 PolarHBondContact O-N 3.24Å; N7-S10 PolarHBondContact O-OG 3.39Å; N7-S10 WeakPolarHBondContact OD1-CB 3.33Å; N7-S10 PolarHBondContact OD1-N 3.46Å; N7-S10 PolarHBondContact OD1-OG 3.5Å; N7-E11 PolarHBondContact O-N 3.49Å; N7-E11 VanDerWaalsContact O-N 3.13Å | ||
| 8 | L | 88.3 | Confident | 83 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -29.9 | -174.9 | -165 | 56.5 | 0 | 0 | 0 | 113.3 | S10 E11 A12 V66 A81 T174 F178 Y179 F199 | L8-S10 PolarHBondContact O-N 3.28Å; L8-E11 HydrophobicContact CD1-CB 4.37Å; L8-E11 PolarHBondContact O-N 2.92Å; L8-A12 PolarHBondContact O-N 3.12Å; L8-V66 HydrophobicContact CD1-CG1 3.66Å; L8-A81 HydrophobicContact CD1-CB 3.86Å; L8-T174 HydrophobicContact CB-CG2 4.26Å; L8-F178 HydrophobicContact CB-CB 4.02Å; L8-F178 HydrophobicContact CB-CD2 3.63Å; L8-F178 HydrophobicContact CB-CE2 4.2Å; L8-F178 HydrophobicContact CB-CG 3.82Å; L8-F178 HydrophobicContact CD2-CB 3.89Å; L8-F178 HydrophobicContact CD2-CD1 3.54Å; L8-F178 HydrophobicContact CD2-CD2 4.11Å; L8-F178 HydrophobicContact CD2-CE1 4.03Å; L8-F178 HydrophobicContact CD2-CG 3.56Å; L8-F178 HydrophobicContact CD2-CZ 4.49Å; L8-F178 HydrophobicContact CG-CD1 4.48Å; L8-F178 HydrophobicContact CG-CD2 4.26Å; L8-F178 HydrophobicContact CG-CG 4.19Å; L8-Y179 HydrophobicContact CD2-CE2 4.09Å; L8-F199 HydrophobicContact CD1-CE2 4.48Å; L8-F199 HydrophobicContact CD1-CZ 3.94Å; L8-F199 HydrophobicContact CD2-CE2 4.48Å; L8-F199 HydrophobicContact CG-CE2 3.92Å; L8-F199 HydrophobicContact CG-CZ 3.89Å |
| 9 | R | 89.4 | Confident | 83.4 | Confident | 131 Ų | 131 | 51.2 Ų | 51.2 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 174.1 | -174.1 | -176.6 | -62.8 | -90.3 | -5.7 | 112.7 | N7 A12 K13 E198 | N7-R9 PolarHBondContact O-N 3.33Å; N7-R9 VanDerWaalsContact O-N 3.13Å; N7-R9 PolarHBondContact OD1-N 2.81Å; R9-A12 WeakPolarHBondContact O-CB 3.38Å; R9-A12 PolarHBondContact O-N 2.85Å; R9-K13 PolarHBondContact O-N 2.83Å; R9-E198 HydrophobicContact CB-CG 4.49Å; R9-E198 HydrophobicContact CG-CG 3.97Å; R9-E198 VanDerWaalsContact CZ-CG 3.44Å; R9-E198 IonicContact CZ-OE1 3.13Å; R9-E198 IonicContact NH1-OE1 3.01Å; R9-E198 PolarHBondContact NH1-OE1 2.91Å; R9-E198 IonicContact NH2-OE1 2.65Å; R9-E198 PolarHBondContact NH2-OE1 3.19Å |
| 10 | S | 89.8 | Confident | 83.6 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.4 | -33.8 | 176.3 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | S6 N7 L8 A12 K13 K14 | S6-S10 WeakPolarHBondContact CB-OG 3.23Å; S6-S10 PolarHBondContact OG-OG 3.04Å; N7-S10 PolarHBondContact N-OG 2.91Å; N7-S10 PolarHBondContact O-N 3.24Å; N7-S10 PolarHBondContact O-OG 3.39Å; N7-S10 WeakPolarHBondContact OD1-CB 3.33Å; N7-S10 PolarHBondContact OD1-N 3.46Å; N7-S10 PolarHBondContact OD1-OG 3.5Å; L8-S10 PolarHBondContact O-N 3.28Å; S10-A12 VanDerWaalsContact C-N 3.29Å; S10-A12 PolarHBondContact O-N 3.41Å; S10-K13 PolarHBondContact O-N 3.44Å; S10-K14 WeakPolarHBondContact O-CB 3.17Å; S10-K14 PolarHBondContact O-N 2.99Å |
| 11 | E | 91.5 | Very high | 83.7 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -33.6 | 171.3 | -57.3 | -64.8 | 173.6 | 0 | 0 | 111.5 | S6 N7 L8 K14 A15 S64 V66 R171 | S6-E11 PolarHBondContact N-OE1 2.96Å; S6-E11 PolarHBondContact OG-OE1 2.95Å; N7-E11 PolarHBondContact O-N 3.49Å; N7-E11 VanDerWaalsContact O-N 3.13Å; L8-E11 HydrophobicContact CD1-CB 4.37Å; L8-E11 PolarHBondContact O-N 2.92Å; E11-K14 WeakPolarHBondContact O-CB 3.45Å; E11-K14 PolarHBondContact O-N 2.89Å; E11-K14 IonicContact OE1-NZ 3.32Å; E11-K14 PolarHBondContact OE1-NZ 2.94Å; E11-K14 WeakPolarHBondContact OE2-CD 3.46Å; E11-K14 WeakPolarHBondContact OE2-CE 3.21Å; E11-K14 IonicContact OE2-NZ 2.63Å; E11-K14 PolarHBondContact OE2-NZ 3.19Å; E11-A15 VanDerWaalsContact O-CB 3.22Å; E11-A15 WeakPolarHBondContact O-CB 3.25Å; E11-A15 PolarHBondContact O-N 3.27Å; E11-S64 VanDerWaalsContact OE1-CB 3.32Å; E11-S64 WeakPolarHBondContact OE1-CB 3.38Å; E11-S64 PolarHBondContact OE1-OG 2.77Å; E11-S64 VanDerWaalsContact OE1-OG 3.11Å; E11-V66 HydrophobicContact CB-CG1 3.67Å; E11-R171 IonicContact OE1-NH1 3.8Å; E11-R171 PolarHBondContact OE1-NH1 3.08Å; E11-R171 VanDerWaalsContact OE1-NH1 3.11Å |
| 12 | A | 91.6 | Very high | 85 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -51.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L8 R9 S10 K14 A15 A16 E198 F199 | L8-A12 PolarHBondContact O-N 3.12Å; R9-A12 WeakPolarHBondContact O-CB 3.38Å; R9-A12 PolarHBondContact O-N 2.85Å; S10-A12 VanDerWaalsContact C-N 3.29Å; S10-A12 PolarHBondContact O-N 3.41Å; A12-K14 VanDerWaalsContact C-N 3.33Å; A12-K14 PolarHBondContact O-N 2.9Å; A12-A15 PolarHBondContact O-N 2.91Å; A12-A16 WeakPolarHBondContact O-CB 3.47Å; A12-A16 PolarHBondContact O-N 3.09Å; A12-E198 WeakPolarHBondContact CB-O 3.34Å; A12-F199 HydrophobicContact CB-CD1 3.84Å; A12-F199 HydrophobicContact CB-CD2 3.54Å; A12-F199 HydrophobicContact CB-CE1 3.68Å; A12-F199 HydrophobicContact CB-CE2 3.38Å; A12-F199 HydrophobicContact CB-CG 3.79Å; A12-F199 HydrophobicContact CB-CZ 3.45Å; A12-F199 VanDerWaalsContact CB-CZ 3.45Å |
| 13 | K | 92.6 | Very high | 85.4 | Confident | 149 Ų | 149 | 45.4 Ų | 45.4 | 65% | 0.648 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.7 | -40.4 | 177.3 | -66.4 | -176.5 | 177.8 | -175.4 | 0 | 111.8 | R9 S10 K17 | R9-K13 PolarHBondContact O-N 2.83Å; S10-K13 PolarHBondContact O-N 3.44Å; K13-K17 WeakPolarHBondContact O-CB 3.42Å; K13-K17 PolarHBondContact O-N 3.42Å; K13-K17 VanDerWaalsContact O-N 3.14Å |
| 14 | K | 92.6 | Very high | 85.9 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -51.9 | 177.3 | -163.9 | -169.5 | -68.4 | 164.7 | 0 | 110.2 | M1 N2 S10 E11 A12 K17 I18 S64 | M1-K14 HydrophobicContact CB-CG 4.49Å; M1-K14 HydrophobicContact CE-CG 4.41Å; M1-K14 HydrophobicContact SD-CB 4.33Å; M1-K14 HydrophobicContact SD-CD 4.41Å; M1-K14 HydrophobicContact SD-CG 3.35Å; M1-K14 WeakPolarHBondContact SD-CG 3.39Å; N2-K14 WeakPolarHBondContact O-CE 3.46Å; N2-K14 PolarHBondContact O-NZ 2.96Å; S10-K14 WeakPolarHBondContact O-CB 3.17Å; S10-K14 PolarHBondContact O-N 2.99Å; E11-K14 WeakPolarHBondContact O-CB 3.45Å; E11-K14 PolarHBondContact O-N 2.89Å; E11-K14 IonicContact OE1-NZ 3.32Å; E11-K14 PolarHBondContact OE1-NZ 2.94Å; E11-K14 WeakPolarHBondContact OE2-CD 3.46Å; E11-K14 WeakPolarHBondContact OE2-CE 3.21Å; E11-K14 IonicContact OE2-NZ 2.63Å; E11-K14 PolarHBondContact OE2-NZ 3.19Å; A12-K14 VanDerWaalsContact C-N 3.33Å; A12-K14 PolarHBondContact O-N 2.9Å; K14-K17 PolarHBondContact O-N 2.83Å; K14-I18 HydrophobicContact CD-CD1 4.47Å; K14-I18 HydrophobicContact CG-CD1 4.01Å; K14-I18 VanDerWaalsContact O-CG1 3.32Å; K14-I18 WeakPolarHBondContact O-CG1 3.4Å; K14-I18 PolarHBondContact O-N 2.85Å; K14-S64 PolarHBondContact NZ-OG 3.08Å |
| 15 | A | 93.6 | Very high | 85 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E11 A12 K17 I18 L19 I48 V66 L202 | E11-A15 VanDerWaalsContact O-CB 3.22Å; E11-A15 WeakPolarHBondContact O-CB 3.25Å; E11-A15 PolarHBondContact O-N 3.27Å; A12-A15 PolarHBondContact O-N 2.91Å; A15-K17 VanDerWaalsContact C-N 3.32Å; A15-K17 PolarHBondContact O-N 2.85Å; A15-I18 PolarHBondContact O-N 3.13Å; A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 PolarHBondContact O-N 2.86Å; A15-I48 HydrophobicContact CB-CB 4.19Å; A15-I48 HydrophobicContact CB-CD1 4.13Å; A15-I48 HydrophobicContact CB-CG2 4.03Å; A15-V66 HydrophobicContact CB-CG2 3.46Å; A15-V66 VanDerWaalsContact CB-CG2 3.46Å; A15-L202 HydrophobicContact CB-CD1 4.31Å; A15-L202 HydrophobicContact CB-CD2 4.39Å |
| 16 | A | 93.3 | Very high | 83.9 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | A12 R20 D201 L202 I205 | A12-A16 WeakPolarHBondContact O-CB 3.47Å; A12-A16 PolarHBondContact O-N 3.09Å; A16-R20 WeakPolarHBondContact O-CB 3.47Å; A16-R20 PolarHBondContact O-N 3.13Å; A16-D201 HydrophobicContact CB-CB 3.98Å; A16-L202 HydrophobicContact CB-CB 4.23Å; A16-I205 HydrophobicContact CB-CD1 4.18Å; A16-I205 WeakPolarHBondContact O-CD1 3.39Å |
| 17 | K | 92.1 | Very high | 82.2 | Confident | 107 Ų | 107 | 57.6 Ų | 57.6 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.9 | -40.7 | 177.8 | 173.4 | 171.4 | 162.3 | -171.7 | 0 | 112.5 | M1 K13 K14 A15 R20 E21 | M1-K17 HydrophobicContact CE-CB 3.41Å; M1-K17 VanDerWaalsContact CE-CB 3.41Å; M1-K17 HydrophobicContact CE-CD 3.19Å; M1-K17 HydrophobicContact CE-CG 3.21Å; K13-K17 WeakPolarHBondContact O-CB 3.42Å; K13-K17 PolarHBondContact O-N 3.42Å; K13-K17 VanDerWaalsContact O-N 3.14Å; K14-K17 PolarHBondContact O-N 2.83Å; A15-K17 VanDerWaalsContact C-N 3.32Å; A15-K17 PolarHBondContact O-N 2.85Å; K17-R20 PolarHBondContact O-N 2.89Å; K17-E21 WeakPolarHBondContact CE-OE1 3.45Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 2.78Å |
| 18 | I | 91.1 | Very high | 80.3 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -52.9 | 173.8 | -70.5 | 168.6 | 0 | 0 | 0 | 109.5 | M1 K14 A15 R20 E21 F22 I48 D99 V101 | M1-I18 HydrophobicContact CE-CG1 4.3Å; M1-I18 HydrophobicContact SD-CD1 4.24Å; M1-I18 HydrophobicContact SD-CG1 3.96Å; K14-I18 HydrophobicContact CD-CD1 4.47Å; K14-I18 HydrophobicContact CG-CD1 4.01Å; K14-I18 VanDerWaalsContact O-CG1 3.32Å; K14-I18 WeakPolarHBondContact O-CG1 3.4Å; K14-I18 PolarHBondContact O-N 2.85Å; A15-I18 PolarHBondContact O-N 3.13Å; I18-R20 VanDerWaalsContact C-N 3.27Å; I18-R20 PolarHBondContact O-N 3.38Å; I18-E21 WeakPolarHBondContact O-CB 3.32Å; I18-E21 PolarHBondContact O-N 2.88Å; I18-F22 HydrophobicContact CG2-CD2 3.72Å; I18-F22 HydrophobicContact CG2-CE2 3.72Å; I18-F22 VanDerWaalsContact O-CD2 3.31Å; I18-F22 WeakPolarHBondContact O-CD2 3.47Å; I18-F22 PolarHBondContact O-N 3.33Å; I18-F22 VanDerWaalsContact O-N 3.12Å; I18-I48 HydrophobicContact CB-CG2 3.82Å; I18-I48 HydrophobicContact CD1-CG2 4.1Å; I18-I48 HydrophobicContact CG2-CG2 3.63Å; I18-D99 HydrophobicContact CD1-CB 4.11Å; I18-D99 HydrophobicContact CG1-CB 4.06Å; I18-D99 HydrophobicContact CG2-CB 3.93Å; I18-V101 HydrophobicContact CG2-CG2 3.95Å |
| 19 | L | 90.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.9 | -42.1 | -179.5 | -174.7 | 65.2 | 0 | 0 | 0 | 111.6 | A15 E21 F22 T23 I40 L46 I48 L202 I205 L206 | A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 PolarHBondContact O-N 2.86Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-E21 PolarHBondContact O-N 3.31Å; L19-F22 PolarHBondContact O-N 3.16Å; L19-F22 VanDerWaalsContact O-N 3.13Å; L19-T23 HydrophobicContact CD1-CG2 4.08Å; L19-T23 HydrophobicContact CG-CG2 4.25Å; L19-T23 WeakPolarHBondContact O-CG2 3.44Å; L19-T23 PolarHBondContact O-N 3.25Å; L19-T23 PolarHBondContact O-OG1 3.12Å; L19-I40 HydrophobicContact CD1-CD1 4.31Å; L19-L46 HydrophobicContact CD1-CD2 4.41Å; L19-I48 HydrophobicContact CB-CD1 4.18Å; L19-L202 HydrophobicContact CB-CD1 4.14Å; L19-L202 HydrophobicContact CD2-CD1 3.61Å; L19-I205 HydrophobicContact CD2-CB 4.16Å; L19-I205 HydrophobicContact CD2-CG2 3.7Å; L19-I205 HydrophobicContact CG-CG2 3.89Å; L19-L206 HydrophobicContact CD2-CD1 4.49Å; L19-L206 HydrophobicContact CD2-CD2 3.55Å; L19-L206 HydrophobicContact CD2-CG 3.69Å |
| 20 | R | 88.8 | Confident | 75.8 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 175.2 | -169.4 | 177.9 | -63.5 | 167.2 | 1.2 | 112.6 | A16 K17 I18 F22 T23 Q24 I205 | A16-R20 WeakPolarHBondContact O-CB 3.47Å; A16-R20 PolarHBondContact O-N 3.13Å; K17-R20 PolarHBondContact O-N 2.89Å; I18-R20 VanDerWaalsContact C-N 3.27Å; I18-R20 PolarHBondContact O-N 3.38Å; R20-F22 PolarHBondContact O-N 3.18Å; R20-T23 PolarHBondContact O-N 3.3Å; R20-T23 PolarHBondContact O-OG1 2.91Å; R20-Q24 HydrophobicContact CG-CG 3.9Å; R20-Q24 WeakPolarHBondContact O-CB 3.22Å; R20-Q24 PolarHBondContact O-N 3.1Å; R20-I205 HydrophobicContact CB-CD1 4.03Å |
| 21 | E | 85.4 | Confident | 73.6 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.4 | -24.3 | 177.3 | -72.2 | 177.7 | -177.1 | 0 | 0 | 113 | K17 I18 L19 R153 | K17-E21 WeakPolarHBondContact CE-OE1 3.45Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 2.78Å; I18-E21 WeakPolarHBondContact O-CB 3.32Å; I18-E21 PolarHBondContact O-N 2.88Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-E21 PolarHBondContact O-N 3.31Å; E21-R153 VanDerWaalsContact CD-NH2 3.26Å; E21-R153 IonicContact OE1-NH2 3.11Å; E21-R153 IonicContact OE2-CZ 3.45Å; E21-R153 IonicContact OE2-NE 2.77Å; E21-R153 PolarHBondContact OE2-NE 3.49Å; E21-R153 IonicContact OE2-NH1 2.72Å; E21-R153 IonicContact OE2-NH2 3.76Å; E21-R153 PolarHBondContact OE2-NH2 3.24Å |
| 22 | F | 81.4 | Confident | 71.4 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -90.3 | -16.9 | 175.7 | -84.8 | -78.6 | 0 | 0 | 0 | 114.1 | I18 L19 R20 L34 I35 D99 V101 R153 | I18-F22 HydrophobicContact CG2-CD2 3.72Å; I18-F22 HydrophobicContact CG2-CE2 3.72Å; I18-F22 VanDerWaalsContact O-CD2 3.31Å; I18-F22 WeakPolarHBondContact O-CD2 3.47Å; I18-F22 PolarHBondContact O-N 3.33Å; I18-F22 VanDerWaalsContact O-N 3.12Å; L19-F22 PolarHBondContact O-N 3.16Å; L19-F22 VanDerWaalsContact O-N 3.13Å; R20-F22 PolarHBondContact O-N 3.18Å; F22-L34 WeakPolarHBondContact O-CA 3.45Å; F22-L34 WeakPolarHBondContact O-CD2 3.39Å; F22-I35 HydrophobicContact CB-CD1 3.72Å; F22-I35 HydrophobicContact CB-CG1 3.98Å; F22-I35 HydrophobicContact CD1-CD1 4.19Å; F22-I35 HydrophobicContact CD1-CG1 4.13Å; F22-I35 HydrophobicContact CG-CD1 4.11Å; F22-I35 HydrophobicContact CG-CG1 4.41Å; F22-I35 PolarHBondContact O-N 2.83Å; F22-D99 HydrophobicContact CE2-CB 4.17Å; F22-D99 WeakPolarHBondContact CZ-O 3.47Å; F22-V101 HydrophobicContact CB-CG2 4.41Å; F22-V101 HydrophobicContact CD2-CG2 3.47Å; F22-V101 VanDerWaalsContact CD2-CG2 3.47Å; F22-V101 HydrophobicContact CE2-CG2 3.75Å; F22-V101 HydrophobicContact CG-CG2 3.93Å; F22-V101 HydrophobicContact CZ-CG2 4.41Å; F22-R153 HydrophobicContact CE1-CB 4Å; F22-R153 HydrophobicContact CE2-CB 4.02Å; F22-R153 HydrophobicContact CZ-CB 3.43Å; F22-R153 VanDerWaalsContact CZ-CB 3.43Å |
| 23 | T | 76.4 | Confident | 69.5 | Low | 12 Ų | 12 | 75.1 Ų | 75.1 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -109 | -28 | -177.4 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | L19 R20 I40 Y209 | L19-T23 HydrophobicContact CD1-CG2 4.08Å; L19-T23 HydrophobicContact CG-CG2 4.25Å; L19-T23 WeakPolarHBondContact O-CG2 3.44Å; L19-T23 PolarHBondContact O-N 3.25Å; L19-T23 PolarHBondContact O-OG1 3.12Å; R20-T23 PolarHBondContact O-N 3.3Å; R20-T23 PolarHBondContact O-OG1 2.91Å; T23-I40 HydrophobicContact CG2-CD1 3.72Å; T23-Y209 HydrophobicContact CG2-CD1 4.11Å; T23-Y209 HydrophobicContact CG2-CD2 4.13Å; T23-Y209 HydrophobicContact CG2-CE1 4.07Å; T23-Y209 HydrophobicContact CG2-CE2 4.16Å; T23-Y209 HydrophobicContact CG2-CG 4.13Å; T23-Y209 WeakPolarHBondContact O-CE2 3.27Å |
| 24 | Q | 70.1 | Confident | 68.4 | Low | 111 Ų | 111 | 69.7 Ų | 69.7 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -90.5 | 133.5 | 177.3 | -68.7 | -175.8 | -12.2 | 0 | 0 | 111.3 | R20 S26 L34 | R20-Q24 HydrophobicContact CG-CG 3.9Å; R20-Q24 WeakPolarHBondContact O-CB 3.22Å; R20-Q24 PolarHBondContact O-N 3.1Å; Q24-S26 PolarHBondContact O-N 3.02Å; Q24-L34 WeakPolarHBondContact O-CD2 3.42Å |
| 25 | I | 55.2 | Low | 67.4 | Low | 139 Ų | 139 | 68.9 Ų | 68.9 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | trans | -65.1 | 79.5 | 166.1 | -54.5 | 156.4 | 0 | 0 | 0 | 107.4 | N27 L34 | I25-N27 PolarHBondContact O-N 3.33Å; I25-L34 HydrophobicContact CB-CD1 4.41Å; I25-L34 HydrophobicContact CG1-CD1 3.61Å | ||
| 26 | S | 45.7 | Very low | 66.3 | Low | 64 Ų | 64 | 71 Ų | 71 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | trans | -74.9 | 124.7 | 169.4 | -157.2 | 0 | 0 | 0 | 0 | 106.4 | Q24 R28 A29 | Q24-S26 PolarHBondContact O-N 3.02Å; S26-R28 PolarHBondContact O-N 3.1Å; S26-A29 PolarHBondContact O-N 2.82Å | ||
| 27 | N | 41.4 | Very low | 65.4 | Low | 171 Ų | 171 | 71.8 Ų | 71.8 | 91% | 0.914 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 2.5 | 179.6 | -103.5 | -1.2 | 0 | 0 | 0 | 116.5 | I25 | I25-N27 PolarHBondContact O-N 3.33Š|
| 28 | R | 45.6 | Very low | 64.6 | Low | 246 Ų | 246 | 70.2 Ų | 70.2 | 93% | 0.928 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -8.7 | 178 | -65 | -175.4 | 178 | -179.1 | -1 | 114.2 | S26 | S26-R28 PolarHBondContact O-N 3.1Š|
| 29 | A | 43.1 | Very low | 64.2 | Low | 26 Ų | 26 | 71.2 Ų | 71.2 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -111.1 | 119.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | S26 | S26-A29 PolarHBondContact O-N 2.82Š|
| 30 | G | 41.2 | Very low | 63.8 | Low | 42 Ų | 42 | 71.2 Ų | 71.2 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | trans | -56.8 | 158.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D32 K33 | G30-D32 PolarHBondContact O-N 2.8Å; G30-D32 VanDerWaalsContact O-N 3.08Å; G30-K33 PolarHBondContact O-N 2.94Å | ||
| 31 | P | 42.2 | Very low | 63.4 | Low | 104 Ų | 104 | 66.9 Ų | 66.9 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -58.1 | -23.4 | -175.5 | 23.3 | -33.2 | 0 | 0 | 0 | 114 | K33 | P31-K33 VanDerWaalsContact C-N 3.25Å; P31-K33 PolarHBondContact O-N 2.93Å |
| 32 | D | 46.5 | Very low | 63.3 | Low | 113 Ų | 113 | 71.1 Ų | 71.1 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -76.4 | -2.4 | -171.8 | -48.7 | -31.9 | 0 | 0 | 0 | 115 | G30 | G30-D32 PolarHBondContact O-N 2.8Å; G30-D32 VanDerWaalsContact O-N 3.08Å |
| 33 | K | 52.3 | Low | 63.6 | Low | 112 Ų | 112 | 71 Ų | 71 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -111.3 | 5.8 | -178.4 | -66 | -173.7 | -178.6 | -176.9 | 0 | 114.1 | G30 P31 | G30-K33 PolarHBondContact O-N 2.94Å; P31-K33 VanDerWaalsContact C-N 3.25Å; P31-K33 PolarHBondContact O-N 2.93Å |
| 34 | L | 67.7 | Low | 64.3 | Low | 36 Ų | 36 | 72.8 Ų | 72.8 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 133.6 | -179.1 | -65.2 | 169.8 | 0 | 0 | 0 | 110.5 | F22 Q24 I25 P36 | F22-L34 WeakPolarHBondContact O-CA 3.45Å; F22-L34 WeakPolarHBondContact O-CD2 3.39Å; Q24-L34 WeakPolarHBondContact O-CD2 3.42Å; I25-L34 HydrophobicContact CB-CD1 4.41Å; I25-L34 HydrophobicContact CG1-CD1 3.61Å; L34-P36 VanDerWaalsContact O-CD 3.31Å; L34-P36 WeakPolarHBondContact O-CD 3.41Å |
| 35 | I | 71.8 | Confident | 65.3 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 118.7 | 175.3 | -56.1 | 178 | 0 | 0 | 0 | 107.6 | F22 A37 I39 I40 V101 I103 Y151 Y209 | F22-I35 HydrophobicContact CB-CD1 3.72Å; F22-I35 HydrophobicContact CB-CG1 3.98Å; F22-I35 HydrophobicContact CD1-CD1 4.19Å; F22-I35 HydrophobicContact CD1-CG1 4.13Å; F22-I35 HydrophobicContact CG-CD1 4.11Å; F22-I35 HydrophobicContact CG-CG1 4.41Å; F22-I35 PolarHBondContact O-N 2.83Å; I35-A37 PolarHBondContact O-N 2.82Å; I35-I39 HydrophobicContact CG2-CB 4.22Å; I35-I39 HydrophobicContact CG2-CG2 4.23Å; I35-I40 HydrophobicContact CB-CD1 4.14Å; I35-I40 HydrophobicContact CG2-CD1 3.81Å; I35-I40 HydrophobicContact CG2-CG1 3.69Å; I35-V101 HydrophobicContact CD1-CB 3.66Å; I35-V101 HydrophobicContact CD1-CG1 3.47Å; I35-V101 VanDerWaalsContact CD1-CG1 3.47Å; I35-V101 HydrophobicContact CD1-CG2 4.08Å; I35-I103 HydrophobicContact CG2-CD1 4.47Å; I35-Y151 HydrophobicContact CB-CD2 4.43Å; I35-Y151 HydrophobicContact CB-CE2 4.37Å; I35-Y151 HydrophobicContact CD1-CD2 3.97Å; I35-Y151 HydrophobicContact CD1-CG 4.09Å; I35-Y151 HydrophobicContact CG1-CD1 3.88Å; I35-Y151 HydrophobicContact CG1-CD2 3.66Å; I35-Y151 HydrophobicContact CG1-CE1 4.27Å; I35-Y151 HydrophobicContact CG1-CE2 4.08Å; I35-Y151 HydrophobicContact CG1-CG 3.56Å; I35-Y151 HydrophobicContact CG2-CD2 4.18Å; I35-Y151 HydrophobicContact CG2-CE2 3.82Å; I35-Y209 VanDerWaalsContact O-CE1 3.25Å; I35-Y209 WeakPolarHBondContact O-CE1 3.44Å; I35-Y209 PolarHBondContact O-OH 2.88Å |
| 36 | P | 72 | Confident | 67.1 | Low | 47 Ų | 47 | 60.9 Ų | 60.9 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 140.5 | 179.8 | -22.5 | 33.4 | 0 | 0 | 0 | 112 | L34 H38 I39 Y151 | L34-P36 VanDerWaalsContact O-CD 3.31Å; L34-P36 WeakPolarHBondContact O-CD 3.41Å; P36-H38 VanDerWaalsContact CB-CE1 3.43Å; P36-H38 WeakPolarHBondContact CB-CE1 3.47Å; P36-H38 WeakPolarHBondContact CB-ND1 3.2Å; P36-H38 PolarHBondContact O-N 2.86Å; P36-H38 VanDerWaalsContact O-N 3.15Å; P36-I39 HydrophobicContact CB-CG1 4.1Å; P36-I39 HydrophobicContact CG-CG1 4.19Å; P36-I39 WeakPolarHBondContact O-CB 3.32Å; P36-I39 PolarHBondContact O-N 3.49Å; P36-Y151 VanDerWaalsContact CD-OH 3.24Å; P36-Y151 WeakPolarHBondContact CD-OH 3.24Å |
| 37 | A | 73.8 | Confident | 69.3 | Low | 20 Ų | 20 | 57.9 Ų | 57.9 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -30.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | I35 I39 I40 A41 Y209 Y213 | I35-A37 PolarHBondContact O-N 2.82Å; A37-I39 VanDerWaalsContact C-N 3.28Å; A37-I39 PolarHBondContact O-N 3.47Å; A37-I40 PolarHBondContact O-N 3.22Å; A37-A41 VanDerWaalsContact O-CB 3.29Å; A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 3.39Å; A37-Y209 HydrophobicContact CB-CD1 3.78Å; A37-Y209 HydrophobicContact CB-CE1 3.47Å; A37-Y209 VanDerWaalsContact CB-CE1 3.47Å; A37-Y209 HydrophobicContact CB-CG 4.49Å; A37-Y213 HydrophobicContact CB-CD2 4.36Å; A37-Y213 HydrophobicContact CB-CG 4.36Å |
| 38 | H | 74.7 | Confident | 71.7 | Confident | 75 Ų | 75 | 49.9 Ų | 49.9 | 35% | 0.347 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.9 | -29.2 | 174.7 | 74.3 | -101.5 | 0 | 0 | 0 | 113.4 | P36 K42 Y213 | P36-H38 VanDerWaalsContact CB-CE1 3.43Å; P36-H38 WeakPolarHBondContact CB-CE1 3.47Å; P36-H38 WeakPolarHBondContact CB-ND1 3.2Å; P36-H38 PolarHBondContact O-N 2.86Å; P36-H38 VanDerWaalsContact O-N 3.15Å; H38-K42 WeakPolarHBondContact O-CB 3.46Å; H38-K42 WeakPolarHBondContact O-CG 3.37Å; H38-K42 PolarHBondContact O-N 2.92Å; H38-K42 VanDerWaalsContact O-N 3.12Å; H38-Y213 HydrophobicContact CB-CD2 3.87Å; H38-Y213 HydrophobicContact CB-CE1 4.23Å; H38-Y213 HydrophobicContact CB-CE2 3.34Å |
| 39 | I | 82.6 | Confident | 73.9 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.5 | -47.3 | 179.3 | -62.8 | -65.3 | 0 | 0 | 0 | 109.3 | I35 P36 A37 K42 A43 I103 Y151 | I35-I39 HydrophobicContact CG2-CB 4.22Å; I35-I39 HydrophobicContact CG2-CG2 4.23Å; P36-I39 HydrophobicContact CB-CG1 4.1Å; P36-I39 HydrophobicContact CG-CG1 4.19Å; P36-I39 WeakPolarHBondContact O-CB 3.32Å; P36-I39 PolarHBondContact O-N 3.49Å; A37-I39 VanDerWaalsContact C-N 3.28Å; A37-I39 PolarHBondContact O-N 3.47Å; I39-K42 PolarHBondContact O-N 3.23Å; I39-A43 WeakPolarHBondContact O-CB 3.09Å; I39-A43 PolarHBondContact O-N 2.89Å; I39-I103 HydrophobicContact CG2-CB 4.19Å; I39-I103 HydrophobicContact CG2-CD1 4.23Å; I39-I103 HydrophobicContact CG2-CG1 3.74Å; I39-I103 HydrophobicContact CG2-CG2 3.74Å; I39-Y151 HydrophobicContact CG2-CE2 4.45Å |
| 40 | I | 82.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.9 | -67.1 | 176.5 | 0 | 0 | 0 | 110.8 | L19 T23 I35 A37 K42 A43 L46 L206 Y209 | L19-I40 HydrophobicContact CD1-CD1 4.31Å; T23-I40 HydrophobicContact CG2-CD1 3.72Å; I35-I40 HydrophobicContact CB-CD1 4.14Å; I35-I40 HydrophobicContact CG2-CD1 3.81Å; I35-I40 HydrophobicContact CG2-CG1 3.69Å; A37-I40 PolarHBondContact O-N 3.22Å; I40-K42 VanDerWaalsContact C-N 3.3Å; I40-K42 PolarHBondContact O-N 3.28Å; I40-A43 WeakPolarHBondContact O-CB 3.09Å; I40-A43 PolarHBondContact O-N 2.91Å; I40-L46 HydrophobicContact CG1-CD2 4.45Å; I40-L206 HydrophobicContact CG2-CD2 3.68Å; I40-Y209 HydrophobicContact CB-CD1 4.18Å; I40-Y209 HydrophobicContact CD1-CD1 3.56Å; I40-Y209 HydrophobicContact CD1-CE1 3.78Å; I40-Y209 HydrophobicContact CG1-CD1 4.32Å |
| 41 | A | 80.4 | Confident | 78.6 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -35.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A37 R70 T210 Y213 | A37-A41 VanDerWaalsContact O-CB 3.29Å; A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 3.39Å; A41-R70 PolarHBondContact O-NH1 2.92Å; A41-T210 HydrophobicContact CB-CG2 4.02Å; A41-Y213 HydrophobicContact CB-CD1 3.64Å; A41-Y213 HydrophobicContact CB-CE1 4.2Å; A41-Y213 HydrophobicContact CB-CG 4.31Å |
| 42 | K | 83.3 | Confident | 80.9 | Confident | 136 Ų | 136 | 32.8 Ų | 32.8 | 59% | 0.591 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -91.9 | -10.4 | 179.3 | -69 | 179.3 | 179.8 | 178.6 | 0 | 114 | H38 I39 I40 E44 | H38-K42 WeakPolarHBondContact O-CB 3.46Å; H38-K42 WeakPolarHBondContact O-CG 3.37Å; H38-K42 PolarHBondContact O-N 2.92Å; H38-K42 VanDerWaalsContact O-N 3.12Å; I39-K42 PolarHBondContact O-N 3.23Å; I40-K42 VanDerWaalsContact C-N 3.3Å; I40-K42 PolarHBondContact O-N 3.28Å; K42-E44 PolarHBondContact O-N 2.86Å |
| 43 | A | 87.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -61.2 | 134.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | I39 I40 L46 I103 | I39-A43 WeakPolarHBondContact O-CB 3.09Å; I39-A43 PolarHBondContact O-N 2.89Å; I40-A43 WeakPolarHBondContact O-CB 3.09Å; I40-A43 PolarHBondContact O-N 2.91Å; A43-L46 HydrophobicContact CB-CD1 3.74Å; A43-I103 HydrophobicContact CB-CG2 3.73Å | ||
| 44 | E | 90.1 | Very high | 84.6 | Confident | 49 Ų | 49 | 23.8 Ų | 23.8 | 23% | 0.229 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -85.2 | -17.2 | 169.9 | -67.4 | -66.8 | 161.2 | 0 | 0 | 110.6 | K42 A69 R70 R74 L104 N105 I110 | K42-E44 PolarHBondContact O-N 2.86Å; E44-A69 CarbonylContact O-C 3.29Å; E44-R70 VanDerWaalsContact O-CB 3.25Å; E44-R70 WeakPolarHBondContact O-CB 3.24Å; E44-R70 PolarHBondContact O-N 2.73Å; E44-R74 IonicContact OE1-CZ 3.2Å; E44-R74 IonicContact OE1-NH1 3.92Å; E44-R74 PolarHBondContact OE1-NH1 3.44Å; E44-R74 IonicContact OE2-NH1 3.5Å; E44-L104 CarbonylContact C-O 3.59Å; E44-L104 WeakPolarHBondContact CA-O 3.47Å; E44-L104 WeakPolarHBondContact CB-O 3.34Å; E44-L104 PolarHBondContact N-O 3.05Å; E44-N105 WeakPolarHBondContact CG-O 3.36Å; E44-I110 HydrophobicContact CB-CD1 4.1Å; E44-I110 WeakPolarHBondContact O-CD1 3.22Å |
| 45 | G | 91.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 161.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I68 L104 | G45-I68 CarbonylContact C-O 3.56Å; G45-I68 VanDerWaalsContact CA-O 3.23Å; G45-I68 WeakPolarHBondContact CA-O 3.36Å; G45-L104 PolarHBondContact N-O 3.17Å; G45-L104 WeakPolarHBondContact O-CA 3.41Å; G45-L104 WeakPolarHBondContact O-CB 3.4Å; G45-L104 PolarHBondContact O-N 2.79Å |
| 46 | L | 92.7 | Very high | 86 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.8 | 176.2 | -73.9 | 88.8 | 0 | 0 | 0 | 109.8 | L19 I40 A43 V67 I68 W76 V101 I102 I103 L206 | L19-L46 HydrophobicContact CD1-CD2 4.41Å; I40-L46 HydrophobicContact CG1-CD2 4.45Å; A43-L46 HydrophobicContact CB-CD1 3.74Å; L46-V67 WeakPolarHBondContact O-CA 3.42Å; L46-I68 HydrophobicContact CB-CG1 4.16Å; L46-I68 PolarHBondContact N-O 3.39Å; L46-I68 PolarHBondContact O-N 3.36Å; L46-W76 HydrophobicContact CD1-CH2 3.28Å; L46-W76 HydrophobicContact CD1-CZ2 4.13Å; L46-W76 HydrophobicContact CD1-CZ3 3.72Å; L46-V101 HydrophobicContact CD2-CG1 4.2Å; L46-I102 CarbonylContact C-O 3.2Å; L46-I102 WeakPolarHBondContact CA-O 3.11Å; L46-I103 HydrophobicContact CD2-CD1 3.84Å; L46-I103 HydrophobicContact CG-CD1 3.97Å; L46-L206 HydrophobicContact CD1-CD2 4.44Å; L46-L206 HydrophobicContact CD2-CD2 4.01Å |
| 47 | A | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V66 V67 I82 I102 F113 | A47-V66 CarbonylContact C-O 3.59Å; A47-V66 WeakPolarHBondContact CA-O 3.33Å; A47-V67 HydrophobicContact CB-CB 4.11Å; A47-V67 HydrophobicContact CB-CG2 4.07Å; A47-I82 HydrophobicContact CB-CD1 3.91Å; A47-I102 HydrophobicContact CB-CB 4.01Å; A47-I102 PolarHBondContact N-O 2.74Å; A47-I102 WeakPolarHBondContact O-CB 3.31Å; A47-I102 PolarHBondContact O-N 3.24Å; A47-F113 HydrophobicContact CB-CD1 4.16Å; A47-F113 HydrophobicContact CB-CE1 4.1Å |
| 48 | I | 93.5 | Very high | 86.8 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 114.6 | -177.5 | -57.3 | 164.1 | 0 | 0 | 0 | 107.5 | A15 I18 L19 G65 V66 L100 V101 L202 | A15-I48 HydrophobicContact CB-CB 4.19Å; A15-I48 HydrophobicContact CB-CD1 4.13Å; A15-I48 HydrophobicContact CB-CG2 4.03Å; I18-I48 HydrophobicContact CB-CG2 3.82Å; I18-I48 HydrophobicContact CD1-CG2 4.1Å; I18-I48 HydrophobicContact CG2-CG2 3.63Å; L19-I48 HydrophobicContact CB-CD1 4.18Å; I48-G65 CarbonylContact O-C 3.53Å; I48-G65 WeakPolarHBondContact O-CA 3.43Å; I48-V66 HydrophobicContact CB-CG2 4.45Å; I48-V66 PolarHBondContact N-O 2.51Å; I48-V66 PolarHBondContact O-N 2.92Å; I48-L100 WeakPolarHBondContact CA-O 3.17Å; I48-V101 HydrophobicContact CG1-CG1 4.44Å; I48-V101 HydrophobicContact CG1-CG2 4.45Å; I48-V101 HydrophobicContact CG2-CG2 4.49Å; I48-L202 HydrophobicContact CD1-CD1 3.65Å; I48-L202 HydrophobicContact CD1-CD2 4.46Å |
| 49 | I | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137 | -169.1 | -47.4 | 178.2 | 0 | 0 | 0 | 109.7 | V51 I82 I84 L100 I102 L168 | I49-V51 HydrophobicContact CG2-CG2 3.82Å; I49-I82 HydrophobicContact CD1-CD1 3.53Å; I49-I82 HydrophobicContact CD1-CG1 4.45Å; I49-I82 HydrophobicContact CG1-CD1 3.7Å; I49-I82 HydrophobicContact CG1-CG1 4.38Å; I49-I84 HydrophobicContact CG2-CG2 3.84Å; I49-L100 PolarHBondContact N-O 2.85Å; I49-L100 PolarHBondContact O-N 3.28Å; I49-I102 HydrophobicContact CD1-CD1 3.86Å; I49-L168 HydrophobicContact CD1-CD2 3.84Å |
| 50 | S | 91.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.7 | 168.1 | -165.3 | 0 | 0 | 0 | 0 | 109.2 | G63 S64 S98 D99 | S50-G63 CarbonylContact O-C 3.52Å; S50-G63 WeakPolarHBondContact O-CA 3.48Å; S50-S64 PolarHBondContact N-O 3.41Å; S50-S64 PolarHBondContact O-N 3.39Å; S50-S98 WeakPolarHBondContact CA-O 3.49Å; S50-D99 VanDerWaalsContact CB-OD1 3.29Å; S50-D99 WeakPolarHBondContact CB-OD1 3.43Å; S50-D99 PolarHBondContact OG-OD1 2.85Å |
| 51 | V | 90.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.1 | -170 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | I49 R61 I84 V97 S98 L100 | I49-V51 HydrophobicContact CG2-CG2 3.82Å; V51-R61 HydrophobicContact CG1-CB 4.14Å; V51-R61 HydrophobicContact CG1-CG 4.33Å; V51-I84 HydrophobicContact CB-CG2 4.35Å; V51-I84 HydrophobicContact CG1-CG2 3.99Å; V51-I84 HydrophobicContact CG2-CD1 4.46Å; V51-I84 HydrophobicContact CG2-CG2 3.62Å; V51-V97 CarbonylContact O-C 3.42Å; V51-V97 VanDerWaalsContact O-CA 3.3Å; V51-V97 WeakPolarHBondContact O-CA 3.4Å; V51-S98 PolarHBondContact N-O 3.37Å; V51-S98 PolarHBondContact O-N 3.43Å; V51-L100 HydrophobicContact CG2-CD1 3.78Å; V51-L100 HydrophobicContact CG2-CG 4.31Å |
| 52 | I | 90.6 | Very high | 88.4 | Confident | 55 Ų | 55 | 37 Ų | 37 | 28% | 0.282 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 134.9 | 162.4 | -73.3 | 164.3 | 0 | 0 | 0 | 108.2 | P3 R61 G62 E96 V97 | P3-I52 HydrophobicContact CB-CD1 3.7Å; P3-I52 HydrophobicContact CB-CG1 3.54Å; P3-I52 VanDerWaalsContact CD-CD1 3.42Å; P3-I52 HydrophobicContact CG-CD1 3.44Å; P3-I52 VanDerWaalsContact CG-CD1 3.44Å; P3-I52 HydrophobicContact CG-CG1 3.32Å; I52-R61 CarbonylContact O-C 3.54Å; I52-R61 WeakPolarHBondContact O-CA 3.43Å; I52-G62 PolarHBondContact N-O 3.09Å; I52-G62 PolarHBondContact O-N 3.35Å; I52-E96 CarbonylContact C-O 3.6Å; I52-E96 WeakPolarHBondContact CA-O 3.47Å; I52-V97 HydrophobicContact CG1-CG2 4.12Å |
| 53 | K | 88.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.9 | 163.1 | -176.8 | -170.6 | -172 | 158.6 | 0 | 108.7 | R61 E92 V95 E96 F158 S162 E164 | K53-R61 HydrophobicContact CB-CG 3.73Å; K53-R61 HydrophobicContact CG-CG 3.75Å; K53-R61 VanDerWaalsContact NZ-NH2 3.16Å; K53-E92 WeakPolarHBondContact CE-OE2 3.46Å; K53-E92 IonicContact NZ-OE1 4Å; K53-E92 PolarHBondContact NZ-OE1 3.18Å; K53-E92 IonicContact NZ-OE2 3.17Å; K53-E92 PolarHBondContact NZ-OE2 3.16Å; K53-V95 CarbonylContact O-C 3.58Å; K53-V95 WeakPolarHBondContact O-CA 3.12Å; K53-E96 HydrophobicContact CB-CB 4.22Å; K53-E96 PolarHBondContact N-O 3.42Å; K53-E96 PolarHBondContact O-N 2.9Å; K53-F158 HydrophobicContact CD-CD1 4.41Å; K53-F158 HydrophobicContact CD-CD2 4.08Å; K53-F158 HydrophobicContact CD-CE1 4Å; K53-F158 HydrophobicContact CD-CE2 3.63Å; K53-F158 HydrophobicContact CD-CG 4.46Å; K53-F158 HydrophobicContact CD-CZ 3.61Å; K53-F158 HydrophobicContact CG-CE2 4.04Å; K53-F158 HydrophobicContact CG-CZ 4.37Å; K53-S162 PolarHBondContact NZ-OG 3.47Å; K53-S162 VanDerWaalsContact NZ-OG 3.08Å; K53-E164 WeakPolarHBondContact CE-OE1 3.41Å; K53-E164 IonicContact NZ-OE1 3.86Å; K53-E164 PolarHBondContact NZ-OE1 2.88Å |
| 54 | A | 88.4 | Confident | 89 | Confident | 37 Ų | 37 | 30.9 Ų | 30.9 | 31% | 0.306 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | A60 G94 V95 | A54-A60 PolarHBondContact N-O 3.12Å; A54-A60 PolarHBondContact O-N 3.16Å; A54-G94 WeakPolarHBondContact CA-O 3.37Å; A54-V95 HydrophobicContact CB-CG1 4.44Å; A54-V95 HydrophobicContact CB-CG2 3.99Å |
| 55 | G | 82.9 | Confident | 89.1 | Confident | 17 Ų | 17 | 28.7 Ų | 28.7 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 155.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V58 L93 G94 | G55-V58 CarbonylContact C-O 3.55Å; G55-V58 WeakPolarHBondContact CA-O 3.43Å; G55-L93 WeakPolarHBondContact O-CA 3.16Å; G55-G94 PolarHBondContact N-O 3.17Å; G55-G94 VanDerWaalsContact N-O 3.08Å; G55-G94 PolarHBondContact O-N 2.83Å |
| 56 | F | 85.3 | Confident | 89.3 | Confident | 142 Ų | 142 | 28.8 Ų | 28.8 | 62% | 0.623 | 17% | 0.174 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 101.5 | 166.4 | 177.2 | -103.1 | 0 | 0 | 0 | 107.1 | V58 E92 L93 | F56-V58 PolarHBondContact N-O 2.81Å; F56-V58 VanDerWaalsContact N-O 3.1Å; F56-V58 PolarHBondContact O-N 2.92Å; F56-E92 VanDerWaalsContact CA-O 3.29Å; F56-E92 WeakPolarHBondContact CA-O 3.43Å; F56-L93 HydrophobicContact CD2-CB 4.38Å; F56-L93 HydrophobicContact CD2-CD1 3.44Å; F56-L93 VanDerWaalsContact CD2-CD1 3.44Å; F56-L93 HydrophobicContact CD2-CG 3.88Å; F56-L93 HydrophobicContact CE2-CD1 3.56Å; F56-L93 HydrophobicContact CE2-CG 4.47Å |
| 57 | M | 79.3 | Confident | 89.3 | Confident | 124 Ų | 124 | 28.7 Ų | 28.7 | 61% | 0.611 | 17% | 0.174 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 64.9 | -44.7 | -168.8 | -54.8 | 177.3 | 66.3 | 0 | 0 | 115.1 | G90 E92 | M57-G90 CarbonylContact C-O 3.57Å; M57-G90 VanDerWaalsContact CA-O 3.32Å; M57-G90 WeakPolarHBondContact CA-O 3.48Å; M57-G90 PolarHBondContact O-N 2.65Å; M57-G90 VanDerWaalsContact O-N 3.12Å; M57-G90 VanDerWaalsContact O-O 3.14Å; M57-E92 PolarHBondContact N-O 3.35Å |
| 58 | V | 84 | Confident | 89.5 | Confident | 107 Ų | 107 | 28.8 Ų | 28.8 | 65% | 0.648 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.6 | 169.2 | 179.9 | 0 | 0 | 0 | 0 | 108 | G55 F56 | G55-V58 CarbonylContact C-O 3.55Å; G55-V58 WeakPolarHBondContact CA-O 3.43Å; F56-V58 PolarHBondContact N-O 2.81Å; F56-V58 VanDerWaalsContact N-O 3.1Å; F56-V58 PolarHBondContact O-N 2.92Å |
| 59 | T | 84.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.9 | -178.7 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | L87 G88 E92 E164 | T59-L87 WeakPolarHBondContact O-CA 3.25Å; T59-G88 PolarHBondContact N-O 2.92Å; T59-G88 PolarHBondContact O-N 3.32Å; T59-E92 HydrophobicContact CG2-CB 3.73Å; T59-E92 HydrophobicContact CG2-CG 4.32Å; T59-E92 WeakPolarHBondContact CG2-OE2 3.5Å; T59-E164 PolarHBondContact OG1-OE1 3.04Å |
| 60 | A | 89.4 | Confident | 89.6 | Confident | 52 Ų | 52 | 30.2 Ų | 30.2 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109 | A54 L87 | A54-A60 PolarHBondContact N-O 3.12Å; A54-A60 PolarHBondContact O-N 3.16Å; A60-L87 HydrophobicContact CB-CD2 4.09Å |
| 61 | R | 88.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.5 | 172.3 | -78.8 | -168.6 | 179.2 | 134.7 | -10.4 | 110.9 | V51 I52 K53 G86 G123 E164 | V51-R61 HydrophobicContact CG1-CB 4.14Å; V51-R61 HydrophobicContact CG1-CG 4.33Å; I52-R61 CarbonylContact O-C 3.54Å; I52-R61 WeakPolarHBondContact O-CA 3.43Å; K53-R61 HydrophobicContact CB-CG 3.73Å; K53-R61 HydrophobicContact CG-CG 3.75Å; K53-R61 VanDerWaalsContact NZ-NH2 3.16Å; R61-G86 PolarHBondContact N-O 3.3Å; R61-G86 PolarHBondContact O-N 2.97Å; R61-G123 PolarHBondContact NH2-O 2.95Å; R61-E164 WeakPolarHBondContact CD-OE2 3.46Å; R61-E164 WeakPolarHBondContact CG-OE2 3.37Å; R61-E164 IonicContact CZ-OE1 2.72Å; R61-E164 IonicContact CZ-OE2 2.97Å; R61-E164 IonicContact NE-OE1 3.11Å; R61-E164 PolarHBondContact NE-OE1 2.97Å; R61-E164 IonicContact NE-OE2 3.87Å; R61-E164 PolarHBondContact NE-OE2 3.34Å; R61-E164 VanDerWaalsContact NE-OE2 3.08Å; R61-E164 IonicContact NH1-OE1 3.04Å; R61-E164 PolarHBondContact NH1-OE1 3.3Å; R61-E164 VanDerWaalsContact NH1-OE1 3.08Å; R61-E164 IonicContact NH1-OE2 3.61Å; R61-E164 PolarHBondContact NH1-OE2 2.8Å; R61-E164 IonicContact NH2-OE1 3Å |
| 62 | G | 91.1 | Very high | 89.6 | Confident | 35 Ų | 35 | 36.1 Ų | 36.1 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 133 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I52 I84 | I52-G62 PolarHBondContact N-O 3.09Å; I52-G62 PolarHBondContact O-N 3.35Å; G62-I84 CarbonylContact C-O 3.55Å; G62-I84 WeakPolarHBondContact CA-O 3.33Å |
| 63 | G | 91.8 | Very high | 89.5 | Confident | 9 Ų | 9 | 37.3 Ų | 37.3 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S50 G83 I84 | S50-G63 CarbonylContact O-C 3.52Å; S50-G63 WeakPolarHBondContact O-CA 3.48Å; G63-G83 WeakPolarHBondContact O-CA 3.36Å; G63-I84 PolarHBondContact N-O 3.49Å; G63-I84 PolarHBondContact O-N 3.04Å |
| 64 | S | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 152.5 | -175.7 | 50.9 | 0 | 0 | 0 | 0 | 111 | P3 E11 K14 S50 | P3-S64 PolarHBondContact O-OG 3.14Å; E11-S64 VanDerWaalsContact OE1-CB 3.32Å; E11-S64 WeakPolarHBondContact OE1-CB 3.38Å; E11-S64 PolarHBondContact OE1-OG 2.77Å; E11-S64 VanDerWaalsContact OE1-OG 3.11Å; K14-S64 PolarHBondContact NZ-OG 3.08Å; S50-S64 PolarHBondContact N-O 3.41Å; S50-S64 PolarHBondContact O-N 3.39Å |
| 65 | G | 92.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | -165.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | I48 I82 | I48-G65 CarbonylContact O-C 3.53Å; I48-G65 WeakPolarHBondContact O-CA 3.43Å; G65-I82 PolarHBondContact N-O 3.41Å; G65-I82 PolarHBondContact O-N 3.45Å; G65-I82 VanDerWaalsContact O-O 3.12Å |
| 66 | V | 94.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.4 | 179.4 | -64.7 | 0 | 0 | 0 | 0 | 110 | L8 E11 A15 A47 I48 S80 F199 | L8-V66 HydrophobicContact CD1-CG1 3.66Å; E11-V66 HydrophobicContact CB-CG1 3.67Å; A15-V66 HydrophobicContact CB-CG2 3.46Å; A15-V66 VanDerWaalsContact CB-CG2 3.46Å; A47-V66 CarbonylContact C-O 3.59Å; A47-V66 WeakPolarHBondContact CA-O 3.33Å; I48-V66 HydrophobicContact CB-CG2 4.45Å; I48-V66 PolarHBondContact N-O 2.51Å; I48-V66 PolarHBondContact O-N 2.92Å; V66-S80 CarbonylContact C-O 3.59Å; V66-S80 VanDerWaalsContact CA-O 3.28Å; V66-S80 WeakPolarHBondContact CA-O 3.45Å; V66-F199 HydrophobicContact CB-CE1 4.31Å; V66-F199 HydrophobicContact CG1-CE1 3.98Å; V66-F199 HydrophobicContact CG1-CZ 3.96Å; V66-F199 HydrophobicContact CG2-CE1 4.2Å |
| 67 | V | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.1 | 168.8 | 59.8 | 0 | 0 | 0 | 0 | 109.1 | L46 A47 P79 S80 I82 L104 L189 | L46-V67 WeakPolarHBondContact O-CA 3.42Å; A47-V67 HydrophobicContact CB-CB 4.11Å; A47-V67 HydrophobicContact CB-CG2 4.07Å; V67-P79 WeakPolarHBondContact O-CA 3.01Å; V67-S80 PolarHBondContact N-O 2.94Å; V67-S80 PolarHBondContact O-N 3.41Å; V67-I82 HydrophobicContact CB-CD1 4.12Å; V67-I82 HydrophobicContact CB-CG2 4.4Å; V67-I82 HydrophobicContact CG1-CG2 3.66Å; V67-L104 HydrophobicContact CG2-CD1 3.97Å; V67-L189 HydrophobicContact CG1-CD1 3.82Å; V67-L189 HydrophobicContact CG1-CD2 4.27Å; V67-L189 HydrophobicContact CG1-CG 4.48Å; V67-L189 HydrophobicContact CG2-CD1 3.94Å; V67-L189 WeakPolarHBondContact O-CD2 3.27Å |
| 68 | I | 95.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149.4 | 171.5 | 54.4 | 171.5 | 0 | 0 | 0 | 108.7 | G45 L46 W76 P79 L202 Y203 L206 | G45-I68 CarbonylContact C-O 3.56Å; G45-I68 VanDerWaalsContact CA-O 3.23Å; G45-I68 WeakPolarHBondContact CA-O 3.36Å; L46-I68 HydrophobicContact CB-CG1 4.16Å; L46-I68 PolarHBondContact N-O 3.39Å; L46-I68 PolarHBondContact O-N 3.36Å; I68-W76 HydrophobicContact CB-CE3 4.46Å; I68-W76 HydrophobicContact CD1-CD2 4.12Å; I68-W76 HydrophobicContact CD1-CE3 3.83Å; I68-W76 HydrophobicContact CD1-CZ3 4.25Å; I68-W76 HydrophobicContact CG1-CE3 4.15Å; I68-W76 HydrophobicContact CG1-CZ3 4.41Å; I68-P79 HydrophobicContact CG2-CB 3.77Å; I68-L202 HydrophobicContact CD1-CD2 4.3Å; I68-Y203 HydrophobicContact CG2-CE1 4.35Å; I68-L206 HydrophobicContact CD1-CD1 3.33Å |
| 69 | A | 94.8 | Very high | 92 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 153.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | E44 W76 S77 I110 L189 | E44-A69 CarbonylContact O-C 3.29Å; A69-W76 CarbonylContact O-C 3.55Å; A69-S77 PolarHBondContact N-OG 2.79Å; A69-S77 WeakPolarHBondContact O-CB 3.06Å; A69-S77 PolarHBondContact O-N 3.32Å; A69-S77 PolarHBondContact O-OG 3Å; A69-I110 HydrophobicContact CB-CD1 3.94Å; A69-I110 HydrophobicContact CB-CG2 3.96Å; A69-L189 HydrophobicContact CB-CB 3.86Å; A69-L189 HydrophobicContact CB-CD1 4.32Å; A69-L189 HydrophobicContact CB-CD2 4.17Å; A69-L189 HydrophobicContact CB-CG 4.34Å |
| 70 | R | 92.8 | Very high | 92.5 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 11% | 0.109 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -87.2 | 125.8 | 171.6 | -170.4 | 164.5 | -95.5 | -166.5 | -4.2 | 108.1 | A41 E44 W76 | A41-R70 PolarHBondContact O-NH1 2.92Å; E44-R70 VanDerWaalsContact O-CB 3.25Å; E44-R70 WeakPolarHBondContact O-CB 3.24Å; E44-R70 PolarHBondContact O-N 2.73Å; R70-W76 HydrophobicContact CB-CE3 4.28Å; R70-W76 HydrophobicContact CB-CZ3 4.04Å |
| 71 | L | 92.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | trans | -79.3 | 170.5 | 179.2 | -62.7 | 179.8 | 0 | 0 | 0 | 110.6 | D73 R74 R75 L189 N190 | L71-D73 WeakPolarHBondContact CB-OD1 3.06Å; L71-D73 PolarHBondContact O-N 3.12Å; L71-R74 WeakPolarHBondContact O-CA 3.33Å; L71-R74 PolarHBondContact O-N 3.34Å; L71-R75 WeakPolarHBondContact CB-O 3.48Å; L71-R75 PolarHBondContact N-O 3.33Å; L71-L189 WeakPolarHBondContact CD2-O 3.14Å; L71-N190 VanDerWaalsContact CD2-C 3.44Å | ||
| 72 | A | 88.6 | Confident | 92.8 | Very high | 98 Ų | 98 | 29.5 Ų | 29.5 | 81% | 0.81 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R74 | A72-R74 PolarHBondContact O-N 3.17Š|
| 73 | D | 88.4 | Confident | 92.8 | Very high | 81 Ų | 81 | 28 Ų | 28 | 43% | 0.433 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 10.3 | 175.8 | 64.7 | 0.2 | 0 | 0 | 0 | 113.4 | L71 R75 | L71-D73 WeakPolarHBondContact CB-OD1 3.06Å; L71-D73 PolarHBondContact O-N 3.12Å; D73-R75 PolarHBondContact O-N 2.89Å; D73-R75 VanDerWaalsContact O-N 3.14Å; D73-R75 WeakPolarHBondContact OD1-CB 3.42Å; D73-R75 PolarHBondContact OD1-N 3.37Å; D73-R75 IonicContact OD1-NE 2.81Å; D73-R75 IonicContact OD2-CZ 2.73Å; D73-R75 IonicContact OD2-NE 2.79Å; D73-R75 PolarHBondContact OD2-NE 3.25Å; D73-R75 IonicContact OD2-NH2 2.77Å; D73-R75 PolarHBondContact OD2-NH2 3.14Å |
| 74 | R | 87 | Confident | 92.6 | Very high | 146 Ų | 146 | 27.8 Ų | 27.8 | 55% | 0.551 | 14% | 0.137 | S | C | * | . | S | Bend | trans | 64.5 | 3.3 | -176.6 | -61.6 | -67.7 | -167 | -174.8 | 3.7 | 115.5 | E44 L71 A72 | E44-R74 IonicContact OE1-CZ 3.2Å; E44-R74 IonicContact OE1-NH1 3.92Å; E44-R74 PolarHBondContact OE1-NH1 3.44Å; E44-R74 IonicContact OE2-NH1 3.5Å; L71-R74 WeakPolarHBondContact O-CA 3.33Å; L71-R74 PolarHBondContact O-N 3.34Å; A72-R74 PolarHBondContact O-N 3.17Å |
| 75 | R | 91.3 | Very high | 92.4 | Very high | 162 Ų | 162 | 29.9 Ų | 29.9 | 61% | 0.611 | 16% | 0.155 | S | C | * | . | P | Polyproline II helix | trans | -76.6 | 157 | 170.2 | -63 | -171.1 | -63.1 | 152.8 | 3 | 110.7 | L71 D73 | L71-R75 WeakPolarHBondContact CB-O 3.48Å; L71-R75 PolarHBondContact N-O 3.33Å; D73-R75 PolarHBondContact O-N 2.89Å; D73-R75 VanDerWaalsContact O-N 3.14Å; D73-R75 WeakPolarHBondContact OD1-CB 3.42Å; D73-R75 PolarHBondContact OD1-N 3.37Å; D73-R75 IonicContact OD1-NE 2.81Å; D73-R75 IonicContact OD2-CZ 2.73Å; D73-R75 IonicContact OD2-NE 2.79Å; D73-R75 PolarHBondContact OD2-NE 3.25Å; D73-R75 IonicContact OD2-NH2 2.77Å; D73-R75 PolarHBondContact OD2-NH2 3.14Å |
| 76 | W | 94.4 | Very high | 92.1 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 6% | 0.057 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -77.4 | 138.8 | 172 | -64.9 | 108.3 | 0 | 0 | 0 | 110.8 | L46 I68 A69 R70 P195 Y203 L206 | L46-W76 HydrophobicContact CD1-CH2 3.28Å; L46-W76 HydrophobicContact CD1-CZ2 4.13Å; L46-W76 HydrophobicContact CD1-CZ3 3.72Å; I68-W76 HydrophobicContact CB-CE3 4.46Å; I68-W76 HydrophobicContact CD1-CD2 4.12Å; I68-W76 HydrophobicContact CD1-CE3 3.83Å; I68-W76 HydrophobicContact CD1-CZ3 4.25Å; I68-W76 HydrophobicContact CG1-CE3 4.15Å; I68-W76 HydrophobicContact CG1-CZ3 4.41Å; A69-W76 CarbonylContact O-C 3.55Å; R70-W76 HydrophobicContact CB-CE3 4.28Å; R70-W76 HydrophobicContact CB-CZ3 4.04Å; W76-P195 WeakPolarHBondContact O-CG 3.27Å; W76-Y203 HydrophobicContact CB-CD1 3.69Å; W76-Y203 HydrophobicContact CB-CE1 3.49Å; W76-Y203 VanDerWaalsContact CB-CE1 3.49Å; W76-Y203 HydrophobicContact CG-CD1 4.04Å; W76-Y203 HydrophobicContact CG-CE1 4.23Å; W76-L206 HydrophobicContact CD2-CD1 4.23Å; W76-L206 HydrophobicContact CG-CD1 4.49Å; W76-L206 HydrophobicContact CZ2-CD1 4.26Å; W76-L206 HydrophobicContact CZ2-CD2 4.42Å |
| 77 | S | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 166.5 | 173.4 | 75.2 | 0 | 0 | 0 | 0 | 111.1 | A69 L189 Y203 | A69-S77 PolarHBondContact N-OG 2.79Å; A69-S77 WeakPolarHBondContact O-CB 3.06Å; A69-S77 PolarHBondContact O-N 3.32Å; A69-S77 PolarHBondContact O-OG 3Å; S77-L189 WeakPolarHBondContact OG-CD2 3.4Å; S77-Y203 PolarHBondContact O-OH 3.39Å |
| 78 | A | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 150.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y179 I188 V193 | A78-Y179 HydrophobicContact CB-CE1 4.36Å; A78-I188 HydrophobicContact CB-CG2 3.78Å; A78-I188 WeakPolarHBondContact O-CG2 3.39Å; A78-V193 HydrophobicContact CB-CB 4.37Å; A78-V193 WeakPolarHBondContact CB-O 3.4Å |
| 79 | P | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 140.1 | -177.4 | 32.6 | -34.4 | 0 | 0 | 0 | 111.6 | V67 I68 Y179 P196 F199 Y203 | V67-P79 WeakPolarHBondContact O-CA 3.01Å; I68-P79 HydrophobicContact CG2-CB 3.77Å; P79-Y179 VanDerWaalsContact CD-OH 3.25Å; P79-Y179 WeakPolarHBondContact CD-OH 3.32Å; P79-Y179 PolarHBondContact O-OH 3.11Å; P79-P196 VanDerWaalsContact CD-CD 3.41Å; P79-P196 HydrophobicContact CG-CG 4.02Å; P79-F199 HydrophobicContact CB-CD1 3.79Å; P79-F199 HydrophobicContact CB-CE1 3.42Å; P79-F199 VanDerWaalsContact CB-CE1 3.42Å; P79-F199 HydrophobicContact CB-CE2 4.18Å; P79-F199 HydrophobicContact CB-CG 4.31Å; P79-F199 HydrophobicContact CB-CZ 3.63Å; P79-F199 HydrophobicContact CG-CB 4.49Å; P79-F199 HydrophobicContact CG-CD1 3.61Å; P79-F199 HydrophobicContact CG-CD2 3.49Å; P79-F199 VanDerWaalsContact CG-CD2 3.49Å; P79-F199 HydrophobicContact CG-CE1 3.47Å; P79-F199 VanDerWaalsContact CG-CE1 3.47Å; P79-F199 HydrophobicContact CG-CE2 3.34Å; P79-F199 HydrophobicContact CG-CG 3.6Å; P79-F199 HydrophobicContact CG-CZ 3.33Å; P79-Y203 WeakPolarHBondContact CD-OH 3.13Å |
| 80 | S | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.9 | 171.7 | 176 | 0 | 0 | 0 | 0 | 111.1 | V66 V67 N175 A185 | V66-S80 CarbonylContact C-O 3.59Å; V66-S80 VanDerWaalsContact CA-O 3.28Å; V66-S80 WeakPolarHBondContact CA-O 3.45Å; V67-S80 PolarHBondContact N-O 2.94Å; V67-S80 PolarHBondContact O-N 3.41Å; S80-N175 PolarHBondContact OG-ND2 3.21Å; S80-A185 WeakPolarHBondContact OG-CA 3.3Å; S80-A185 WeakPolarHBondContact OG-CB 3.42Å |
| 81 | A | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 129.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | L8 R171 T174 N175 | L8-A81 HydrophobicContact CD1-CB 3.86Å; A81-R171 HydrophobicContact CB-CB 3.77Å; A81-R171 PolarHBondContact O-N 2.83Å; A81-R171 VanDerWaalsContact O-N 3.09Å; A81-T174 HydrophobicContact CB-CG2 3.78Å; A81-N175 VanDerWaalsContact CB-OD1 3.23Å; A81-N175 WeakPolarHBondContact CB-OD1 3.43Å; A81-N175 PolarHBondContact N-OD1 2.9Å |
| 82 | I | 91.2 | Very high | 88 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.3 | 174.7 | 56.2 | 168.2 | 0 | 0 | 0 | 110.5 | A47 I49 G65 V67 I169 R171 | A47-I82 HydrophobicContact CB-CD1 3.91Å; I49-I82 HydrophobicContact CD1-CD1 3.53Å; I49-I82 HydrophobicContact CD1-CG1 4.45Å; I49-I82 HydrophobicContact CG1-CD1 3.7Å; I49-I82 HydrophobicContact CG1-CG1 4.38Å; G65-I82 PolarHBondContact N-O 3.41Å; G65-I82 PolarHBondContact O-N 3.45Å; G65-I82 VanDerWaalsContact O-O 3.12Å; V67-I82 HydrophobicContact CB-CD1 4.12Å; V67-I82 HydrophobicContact CB-CG2 4.4Å; V67-I82 HydrophobicContact CG1-CG2 3.66Å; I82-I169 CarbonylContact C-O 3.47Å; I82-I169 WeakPolarHBondContact CA-O 3.47Å; I82-R171 VanDerWaalsContact O-CD 3.27Å; I82-R171 WeakPolarHBondContact O-CD 3.34Å |
| 83 | G | 89.8 | Confident | 87.7 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G63 L168 I169 | G63-G83 WeakPolarHBondContact O-CA 3.36Å; G83-L168 WeakPolarHBondContact O-CA 3.42Å; G83-I169 PolarHBondContact N-O 3Å; G83-I169 WeakPolarHBondContact O-CG1 3.37Å; G83-I169 PolarHBondContact O-N 2.78Å |
| 84 | I | 87.7 | Confident | 87.6 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.9 | 169.5 | -171.9 | 172.2 | 0 | 0 | 0 | 108.2 | I49 V51 G62 G63 L119 Y167 L168 | I49-I84 HydrophobicContact CG2-CG2 3.84Å; V51-I84 HydrophobicContact CB-CG2 4.35Å; V51-I84 HydrophobicContact CG1-CG2 3.99Å; V51-I84 HydrophobicContact CG2-CD1 4.46Å; V51-I84 HydrophobicContact CG2-CG2 3.62Å; G62-I84 CarbonylContact C-O 3.55Å; G62-I84 WeakPolarHBondContact CA-O 3.33Å; G63-I84 PolarHBondContact N-O 3.49Å; G63-I84 PolarHBondContact O-N 3.04Å; I84-L119 HydrophobicContact CD1-CD2 3.91Å; I84-Y167 WeakPolarHBondContact CA-O 3.37Å; I84-L168 HydrophobicContact CB-CD2 4.13Å; I84-L168 HydrophobicContact CD1-CD2 4.41Å; I84-L168 HydrophobicContact CG1-CD2 4.26Å |
| 85 | A | 88.1 | Confident | 87.6 | Confident | 45 Ų | 45 | 40.2 Ų | 40.2 | 37% | 0.372 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 129.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | S166 Y167 | A85-S166 CarbonylContact O-C 3.59Å; A85-S166 WeakPolarHBondContact O-CA 3.43Å; A85-Y167 PolarHBondContact N-O 2.93Å; A85-Y167 PolarHBondContact O-N 2.88Å |
| 86 | G | 86.6 | Confident | 87.4 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R61 G165 | R61-G86 PolarHBondContact N-O 3.3Å; R61-G86 PolarHBondContact O-N 2.97Å; G86-G165 CarbonylContact C-O 3.49Å; G86-G165 WeakPolarHBondContact CA-O 3.38Å |
| 87 | L | 87.6 | Confident | 87.2 | Confident | 127 Ų | 127 | 33.7 Ų | 33.7 | 67% | 0.665 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.3 | 173.4 | -67.4 | 170.6 | 0 | 0 | 0 | 107.9 | T59 A60 G165 | T59-L87 WeakPolarHBondContact O-CA 3.25Å; A60-L87 HydrophobicContact CB-CD2 4.09Å; L87-G165 PolarHBondContact N-O 2.98Å; L87-G165 PolarHBondContact O-N 2.56Å; L87-G165 VanDerWaalsContact O-N 3.09Å; L87-G165 VanDerWaalsContact O-O 3.11Å |
| 88 | G | 83.3 | Confident | 86.7 | Confident | 17 Ų | 17 | 34 Ų | 34 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | -179.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T59 L163 | T59-G88 PolarHBondContact N-O 2.92Å; T59-G88 PolarHBondContact O-N 3.32Å; G88-L163 WeakPolarHBondContact CA-O 3.38Å |
| 89 | G | 78.3 | Confident | 86.4 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L163 | G89-L163 PolarHBondContact N-O 2.77Å; G89-L163 PolarHBondContact O-N 2.92Å |
| 90 | G | 75.3 | Confident | 86 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 25% | 0.247 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | 173.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M57 E92 I161 | M57-G90 CarbonylContact C-O 3.57Å; M57-G90 VanDerWaalsContact CA-O 3.32Å; M57-G90 WeakPolarHBondContact CA-O 3.48Å; M57-G90 PolarHBondContact O-N 2.65Å; M57-G90 VanDerWaalsContact O-N 3.12Å; M57-G90 VanDerWaalsContact O-O 3.14Å; G90-E92 PolarHBondContact O-N 2.82Å; G90-I161 WeakPolarHBondContact CA-O 3.4Å |
| 91 | F | 76.9 | Confident | 85.8 | Confident | 183 Ų | 183 | 34.4 Ų | 34.4 | 80% | 0.803 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 67.7 | 172.6 | -65.9 | -79.1 | 0 | 0 | 0 | 109.2 | G160 I161 | F91-G160 WeakPolarHBondContact O-CA 3.47Å; F91-I161 PolarHBondContact N-O 2.86Å; F91-I161 VanDerWaalsContact N-O 3.17Å |
| 92 | E | 77.1 | Confident | 85.5 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.5 | -170.7 | -69.7 | -159.2 | 149.1 | 0 | 0 | 112.7 | K53 F56 M57 T59 G90 F158 A159 I161 S162 | K53-E92 WeakPolarHBondContact CE-OE2 3.46Å; K53-E92 IonicContact NZ-OE1 4Å; K53-E92 PolarHBondContact NZ-OE1 3.18Å; K53-E92 IonicContact NZ-OE2 3.17Å; K53-E92 PolarHBondContact NZ-OE2 3.16Å; F56-E92 VanDerWaalsContact CA-O 3.29Å; F56-E92 WeakPolarHBondContact CA-O 3.43Å; M57-E92 PolarHBondContact N-O 3.35Å; T59-E92 HydrophobicContact CG2-CB 3.73Å; T59-E92 HydrophobicContact CG2-CG 4.32Å; T59-E92 WeakPolarHBondContact CG2-OE2 3.5Å; G90-E92 PolarHBondContact O-N 2.82Å; E92-F158 HydrophobicContact CB-CE1 4.1Å; E92-F158 HydrophobicContact CB-CZ 3.59Å; E92-F158 HydrophobicContact CG-CE1 3.9Å; E92-F158 HydrophobicContact CG-CZ 3.82Å; E92-F158 VanDerWaalsContact OE1-CE1 3.27Å; E92-F158 WeakPolarHBondContact OE1-CE1 3.45Å; E92-F158 WeakPolarHBondContact OE2-CZ 3.45Å; E92-A159 WeakPolarHBondContact CA-O 3.4Å; E92-I161 WeakPolarHBondContact CG-O 3.35Å; E92-S162 WeakPolarHBondContact OE1-CA 3.39Å; E92-S162 WeakPolarHBondContact OE1-CB 3.23Å; E92-S162 PolarHBondContact OE1-N 2.78Å; E92-S162 PolarHBondContact OE1-OG 3.08Å; E92-S162 WeakPolarHBondContact OE2-CB 3.31Å; E92-S162 PolarHBondContact OE2-OG 2.8Å |
| 93 | L | 83 | Confident | 85.3 | Confident | 103 Ų | 103 | 34.2 Ų | 34.2 | 54% | 0.539 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 122.1 | 176.1 | -168 | 153.1 | 0 | 0 | 0 | 110 | G55 F56 A159 | G55-L93 WeakPolarHBondContact O-CA 3.16Å; F56-L93 HydrophobicContact CD2-CB 4.38Å; F56-L93 HydrophobicContact CD2-CD1 3.44Å; F56-L93 VanDerWaalsContact CD2-CD1 3.44Å; F56-L93 HydrophobicContact CD2-CG 3.88Å; F56-L93 HydrophobicContact CE2-CD1 3.56Å; F56-L93 HydrophobicContact CE2-CG 4.47Å; L93-A159 PolarHBondContact N-O 2.91Å; L93-A159 PolarHBondContact O-N 3.4Å; L93-A159 VanDerWaalsContact O-N 3.16Å |
| 94 | G | 84.8 | Confident | 85.1 | Confident | 16 Ų | 16 | 34.1 Ų | 34.1 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.4 | -166.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A54 G55 L157 | A54-G94 WeakPolarHBondContact CA-O 3.37Å; G55-G94 PolarHBondContact N-O 3.17Å; G55-G94 VanDerWaalsContact N-O 3.08Å; G55-G94 PolarHBondContact O-N 2.83Å; G94-L157 CarbonylContact C-O 3.57Å; G94-L157 VanDerWaalsContact CA-O 3.26Å; G94-L157 WeakPolarHBondContact CA-O 3.2Å |
| 95 | V | 88.8 | Confident | 84.9 | Confident | 86 Ų | 86 | 36.3 Ų | 36.3 | 52% | 0.521 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131.1 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | K53 A54 G156 L157 | K53-V95 CarbonylContact O-C 3.58Å; K53-V95 WeakPolarHBondContact O-CA 3.12Å; A54-V95 HydrophobicContact CB-CG1 4.44Å; A54-V95 HydrophobicContact CB-CG2 3.99Å; V95-G156 WeakPolarHBondContact O-CA 3.2Å; V95-L157 PolarHBondContact N-O 3.49Å; V95-L157 PolarHBondContact O-N 2.89Å; V95-L157 VanDerWaalsContact O-N 3.16Å |
| 96 | E | 86.6 | Confident | 84.6 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.4 | -176.6 | -173.1 | -173.7 | 171.6 | 0 | 0 | 110.4 | I52 K53 S98 S154 F158 | I52-E96 CarbonylContact C-O 3.6Å; I52-E96 WeakPolarHBondContact CA-O 3.47Å; K53-E96 HydrophobicContact CB-CB 4.22Å; K53-E96 PolarHBondContact N-O 3.42Å; K53-E96 PolarHBondContact O-N 2.9Å; E96-S98 PolarHBondContact OE1-OG 3.37Å; E96-S154 WeakPolarHBondContact OE1-CB 3.25Å; E96-S154 PolarHBondContact OE1-OG 2.92Å; E96-F158 HydrophobicContact CB-CB 3.93Å; E96-F158 HydrophobicContact CB-CD2 4.09Å; E96-F158 HydrophobicContact CB-CG 4.13Å; E96-F158 HydrophobicContact CG-CB 4.43Å |
| 97 | V | 89.4 | Confident | 84.4 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 22% | 0.218 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.2 | 167.9 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | P3 V51 I52 S154 R155 | P3-V97 HydrophobicContact CG-CG1 3.75Å; P3-V97 HydrophobicContact CG-CG2 4.21Å; V51-V97 CarbonylContact O-C 3.42Å; V51-V97 VanDerWaalsContact O-CA 3.3Å; V51-V97 WeakPolarHBondContact O-CA 3.4Å; I52-V97 HydrophobicContact CG1-CG2 4.12Å; V97-S154 CarbonylContact O-C 3.58Å; V97-R155 PolarHBondContact N-O 3.03Å; V97-R155 PolarHBondContact O-N 2.77Å |
| 98 | S | 86.3 | Confident | 84.1 | Confident | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123 | 178.2 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | S50 V51 E96 S154 | S50-S98 WeakPolarHBondContact CA-O 3.49Å; V51-S98 PolarHBondContact N-O 3.37Å; V51-S98 PolarHBondContact O-N 3.43Å; E96-S98 PolarHBondContact OE1-OG 3.37Å; S98-S154 PolarHBondContact OG-OG 3.24Å |
| 99 | D | 90.1 | Very high | 83.8 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.1 | 166.5 | -63.8 | -37.2 | 0 | 0 | 0 | 108.5 | I18 F22 S50 R153 | I18-D99 HydrophobicContact CD1-CB 4.11Å; I18-D99 HydrophobicContact CG1-CB 4.06Å; I18-D99 HydrophobicContact CG2-CB 3.93Å; F22-D99 HydrophobicContact CE2-CB 4.17Å; F22-D99 WeakPolarHBondContact CZ-O 3.47Å; S50-D99 VanDerWaalsContact CB-OD1 3.29Å; S50-D99 WeakPolarHBondContact CB-OD1 3.43Å; S50-D99 PolarHBondContact OG-OD1 2.85Å; D99-R153 PolarHBondContact N-O 3.15Å; D99-R153 PolarHBondContact O-N 2.99Å |
| 100 | L | 87.3 | Confident | 84 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.6 | -174.7 | -57.1 | 178.2 | 0 | 0 | 0 | 109.8 | I48 I49 V51 I102 T150 Y151 C152 | I48-L100 WeakPolarHBondContact CA-O 3.17Å; I49-L100 PolarHBondContact N-O 2.85Å; I49-L100 PolarHBondContact O-N 3.28Å; V51-L100 HydrophobicContact CG2-CD1 3.78Å; V51-L100 HydrophobicContact CG2-CG 4.31Å; L100-I102 HydrophobicContact CB-CG1 4.42Å; L100-T150 HydrophobicContact CB-CG2 4.18Å; L100-T150 HydrophobicContact CD2-CG2 4.14Å; L100-Y151 CarbonylContact C-O 3.55Å; L100-Y151 WeakPolarHBondContact CA-O 3.49Å; L100-C152 HydrophobicContact CD2-CB 3.63Å; L100-C152 WeakPolarHBondContact CD2-SG 3.24Å |
| 101 | V | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 109.4 | 166.6 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | I18 F22 I35 L46 I48 I103 T150 Y151 | I18-V101 HydrophobicContact CG2-CG2 3.95Å; F22-V101 HydrophobicContact CB-CG2 4.41Å; F22-V101 HydrophobicContact CD2-CG2 3.47Å; F22-V101 VanDerWaalsContact CD2-CG2 3.47Å; F22-V101 HydrophobicContact CE2-CG2 3.75Å; F22-V101 HydrophobicContact CG-CG2 3.93Å; F22-V101 HydrophobicContact CZ-CG2 4.41Å; I35-V101 HydrophobicContact CD1-CB 3.66Å; I35-V101 HydrophobicContact CD1-CG1 3.47Å; I35-V101 VanDerWaalsContact CD1-CG1 3.47Å; I35-V101 HydrophobicContact CD1-CG2 4.08Å; L46-V101 HydrophobicContact CD2-CG1 4.2Å; I48-V101 HydrophobicContact CG1-CG1 4.44Å; I48-V101 HydrophobicContact CG1-CG2 4.45Å; I48-V101 HydrophobicContact CG2-CG2 4.49Å; V101-I103 HydrophobicContact CG1-CD1 3.96Å; V101-T150 WeakPolarHBondContact O-CA 3.37Å; V101-Y151 PolarHBondContact N-O 2.92Å; V101-Y151 PolarHBondContact O-N 3.38Å |
| 102 | I | 86.9 | Confident | 84 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.8 | -174.5 | -59 | 177.7 | 0 | 0 | 0 | 108 | L46 A47 I49 L100 L104 F113 V148 F149 T150 | L46-I102 CarbonylContact C-O 3.2Å; L46-I102 WeakPolarHBondContact CA-O 3.11Å; A47-I102 HydrophobicContact CB-CB 4.01Å; A47-I102 PolarHBondContact N-O 2.74Å; A47-I102 WeakPolarHBondContact O-CB 3.31Å; A47-I102 PolarHBondContact O-N 3.24Å; I49-I102 HydrophobicContact CD1-CD1 3.86Å; L100-I102 HydrophobicContact CB-CG1 4.42Å; I102-L104 HydrophobicContact CG2-CD2 3.99Å; I102-F113 HydrophobicContact CD1-CE1 3.97Å; I102-F113 HydrophobicContact CD1-CZ 4.24Å; I102-F113 HydrophobicContact CG2-CE1 3.88Å; I102-F113 HydrophobicContact CG2-CE2 4.46Å; I102-F113 HydrophobicContact CG2-CZ 3.56Å; I102-V148 HydrophobicContact CB-CG1 4.43Å; I102-V148 HydrophobicContact CG2-CG1 3.07Å; I102-F149 CarbonylContact C-O 3.48Å; I102-T150 HydrophobicContact CG1-CG2 3.71Å |
| 103 | I | 87.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.7 | -178.2 | -50.7 | -61.3 | 0 | 0 | 0 | 109.7 | I35 I39 A43 L46 V101 N105 V148 F149 Y151 | I35-I103 HydrophobicContact CG2-CD1 4.47Å; I39-I103 HydrophobicContact CG2-CB 4.19Å; I39-I103 HydrophobicContact CG2-CD1 4.23Å; I39-I103 HydrophobicContact CG2-CG1 3.74Å; I39-I103 HydrophobicContact CG2-CG2 3.74Å; A43-I103 HydrophobicContact CB-CG2 3.73Å; L46-I103 HydrophobicContact CD2-CD1 3.84Å; L46-I103 HydrophobicContact CG-CD1 3.97Å; V101-I103 HydrophobicContact CG1-CD1 3.96Å; I103-N105 VanDerWaalsContact CG2-OD1 3.25Å; I103-N105 WeakPolarHBondContact CG2-OD1 3.1Å; I103-V148 WeakPolarHBondContact O-CA 3.46Å; I103-V148 WeakPolarHBondContact O-CG1 3.24Å; I103-F149 HydrophobicContact CB-CB 4.24Å; I103-F149 HydrophobicContact CG1-CB 4.46Å; I103-F149 PolarHBondContact N-O 2.96Å; I103-F149 PolarHBondContact O-N 3.13Å; I103-Y151 HydrophobicContact CG1-CD2 4.23Å; I103-Y151 HydrophobicContact CG1-CE2 4.1Å |
| 104 | L | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 96.5 | 180 | -50.6 | 175.5 | 0 | 0 | 0 | 108.4 | E44 G45 V67 I102 Q106 A109 I110 F113 V148 | E44-L104 CarbonylContact C-O 3.59Å; E44-L104 WeakPolarHBondContact CA-O 3.47Å; E44-L104 WeakPolarHBondContact CB-O 3.34Å; E44-L104 PolarHBondContact N-O 3.05Å; G45-L104 PolarHBondContact N-O 3.17Å; G45-L104 WeakPolarHBondContact O-CA 3.41Å; G45-L104 WeakPolarHBondContact O-CB 3.4Å; G45-L104 PolarHBondContact O-N 2.79Å; V67-L104 HydrophobicContact CG2-CD1 3.97Å; I102-L104 HydrophobicContact CG2-CD2 3.99Å; L104-Q106 VanDerWaalsContact C-N 3.33Å; L104-A109 HydrophobicContact CB-CB 4.12Å; L104-A109 HydrophobicContact CD2-CB 4.07Å; L104-I110 HydrophobicContact CB-CG1 3.89Å; L104-I110 HydrophobicContact CD1-CB 4.5Å; L104-I110 HydrophobicContact CD1-CG1 3.77Å; L104-I110 HydrophobicContact CG-CG1 4.48Å; L104-F113 HydrophobicContact CD1-CB 4.43Å; L104-F113 HydrophobicContact CD1-CD1 4.47Å; L104-F113 HydrophobicContact CD1-CD2 4.48Å; L104-F113 HydrophobicContact CD1-CG 4.2Å; L104-F113 HydrophobicContact CD2-CD1 4.25Å; L104-F113 HydrophobicContact CD2-CD2 3.53Å; L104-F113 HydrophobicContact CD2-CE1 4.17Å; L104-F113 HydrophobicContact CD2-CE2 3.42Å; L104-F113 VanDerWaalsContact CD2-CE2 3.42Å; L104-F113 HydrophobicContact CD2-CG 3.97Å; L104-F113 HydrophobicContact CD2-CZ 3.79Å; L104-V148 HydrophobicContact CD2-CG1 4.14Å; L104-V148 HydrophobicContact CD2-CG2 3.77Å |
| 105 | N | 83.4 | Confident | 82.9 | Confident | 51 Ų | 51 | 42 Ų | 42 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | trans | -81.9 | -10.5 | -177.1 | -76.9 | -13.4 | 0 | 0 | 0 | 114.1 | E44 I103 F149 | E44-N105 WeakPolarHBondContact CG-O 3.36Å; I103-N105 VanDerWaalsContact CG2-OD1 3.25Å; I103-N105 WeakPolarHBondContact CG2-OD1 3.1Å; N105-F149 WeakPolarHBondContact ND2-CE2 3.43Å | ||
| 106 | Q | 82.9 | Confident | 81.7 | Confident | 94 Ų | 94 | 39 Ų | 39 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -128.5 | 144.9 | -178.6 | -62.4 | -172.4 | 10.4 | 0 | 0 | 111 | L104 R108 A109 I110 | L104-Q106 VanDerWaalsContact C-N 3.33Å; Q106-R108 PolarHBondContact O-N 3.38Å; Q106-A109 WeakPolarHBondContact O-CA 2.89Å; Q106-A109 WeakPolarHBondContact O-CB 3.13Å; Q106-A109 PolarHBondContact O-N 2.66Å; Q106-I110 PolarHBondContact O-N 3.08Å |
| 107 | R | 81.4 | Confident | 80.7 | Confident | 156 Ų | 156 | 38.9 Ų | 38.9 | 59% | 0.589 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -60.9 | -28.9 | 174.7 | -160.5 | 148 | 66 | 148.3 | 0.5 | 113.3 | A109 I110 E111 | R107-A109 VanDerWaalsContact C-N 3.35Å; R107-I110 WeakPolarHBondContact O-CB 3.46Å; R107-I110 PolarHBondContact O-N 2.76Å; R107-E111 PolarHBondContact O-N 3.08Å |
| 108 | R | 80.5 | Confident | 79.3 | Confident | 155 Ų | 155 | 39.8 Ų | 39.8 | 59% | 0.585 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -64.8 | -35.6 | 171 | -65.2 | -56.5 | -172 | -160.6 | -0.2 | 113.2 | Q106 I110 E111 A112 | Q106-R108 PolarHBondContact O-N 3.38Å; R108-I110 VanDerWaalsContact C-N 3.33Å; R108-E111 IonicContact CZ-OE2 3.93Å; R108-E111 IonicContact NH1-OE1 3.28Å; R108-E111 PolarHBondContact NH1-OE1 3Å; R108-E111 IonicContact NH1-OE2 2.86Å; R108-E111 PolarHBondContact NH1-OE2 2.87Å; R108-E111 PolarHBondContact O-N 3.45Å; R108-A112 WeakPolarHBondContact O-CB 3.11Å; R108-A112 PolarHBondContact O-N 3.42Å |
| 109 | A | 77.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | L104 Q106 R107 E111 A112 F113 A146 V148 | L104-A109 HydrophobicContact CB-CB 4.12Å; L104-A109 HydrophobicContact CD2-CB 4.07Å; Q106-A109 WeakPolarHBondContact O-CA 2.89Å; Q106-A109 WeakPolarHBondContact O-CB 3.13Å; Q106-A109 PolarHBondContact O-N 2.66Å; R107-A109 VanDerWaalsContact C-N 3.35Å; A109-E111 PolarHBondContact O-N 2.72Å; A109-A112 PolarHBondContact O-N 2.88Å; A109-F113 VanDerWaalsContact O-CD2 3.24Å; A109-F113 WeakPolarHBondContact O-CD2 2.76Å; A109-F113 PolarHBondContact O-N 3.1Å; A109-A146 HydrophobicContact CB-CB 3.55Å; A109-V148 HydrophobicContact CB-CG2 3.99Å |
| 110 | I | 82.4 | Confident | 76.9 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 177.6 | -61.9 | 161.8 | 0 | 0 | 0 | 110.7 | E44 A69 L104 Q106 R107 R108 A112 F113 T114 L189 | E44-I110 HydrophobicContact CB-CD1 4.1Å; E44-I110 WeakPolarHBondContact O-CD1 3.22Å; A69-I110 HydrophobicContact CB-CD1 3.94Å; A69-I110 HydrophobicContact CB-CG2 3.96Å; L104-I110 HydrophobicContact CB-CG1 3.89Å; L104-I110 HydrophobicContact CD1-CB 4.5Å; L104-I110 HydrophobicContact CD1-CG1 3.77Å; L104-I110 HydrophobicContact CG-CG1 4.48Å; Q106-I110 PolarHBondContact O-N 3.08Å; R107-I110 WeakPolarHBondContact O-CB 3.46Å; R107-I110 PolarHBondContact O-N 2.76Å; R108-I110 VanDerWaalsContact C-N 3.33Å; I110-A112 VanDerWaalsContact C-N 3.32Å; I110-A112 PolarHBondContact O-N 2.9Å; I110-F113 PolarHBondContact O-N 2.77Å; I110-T114 HydrophobicContact CG2-CG2 4.48Å; I110-T114 WeakPolarHBondContact O-CG2 3.43Å; I110-T114 PolarHBondContact O-N 3.07Å; I110-T114 PolarHBondContact O-OG1 3.45Å; I110-L189 HydrophobicContact CG2-CB 4.33Å; I110-L189 HydrophobicContact CG2-CD1 3.56Å |
| 111 | E | 78.3 | Confident | 75.8 | Confident | 57 Ų | 57 | 42 Ų | 42 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.8 | -43.8 | 176.4 | -73 | 176.2 | -165.5 | 0 | 0 | 112 | R107 R108 A109 T114 K115 | R107-E111 PolarHBondContact O-N 3.08Å; R108-E111 IonicContact CZ-OE2 3.93Å; R108-E111 IonicContact NH1-OE1 3.28Å; R108-E111 PolarHBondContact NH1-OE1 3Å; R108-E111 IonicContact NH1-OE2 2.86Å; R108-E111 PolarHBondContact NH1-OE2 2.87Å; R108-E111 PolarHBondContact O-N 3.45Å; A109-E111 PolarHBondContact O-N 2.72Å; E111-T114 PolarHBondContact O-N 3.37Å; E111-T114 PolarHBondContact O-OG1 2.77Å; E111-K115 WeakPolarHBondContact O-CB 3.19Å; E111-K115 VanDerWaalsContact O-CG 3.31Å; E111-K115 WeakPolarHBondContact O-CG 2.9Å; E111-K115 PolarHBondContact O-N 2.77Å |
| 112 | A | 74.8 | Confident | 74.2 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R108 A109 I110 T114 K115 G116 | R108-A112 WeakPolarHBondContact O-CB 3.11Å; R108-A112 PolarHBondContact O-N 3.42Å; A109-A112 PolarHBondContact O-N 2.88Å; I110-A112 VanDerWaalsContact C-N 3.32Å; I110-A112 PolarHBondContact O-N 2.9Å; A112-T114 VanDerWaalsContact C-N 3.33Å; A112-T114 PolarHBondContact O-N 2.87Å; A112-K115 PolarHBondContact O-N 3.01Å; A112-G116 PolarHBondContact O-N 3.16Å |
| 113 | F | 74.9 | Confident | 72.8 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -36.2 | 175.5 | -92.7 | -108.5 | 0 | 0 | 0 | 112.7 | A47 I102 L104 A109 I110 V129 V148 L168 | A47-F113 HydrophobicContact CB-CD1 4.16Å; A47-F113 HydrophobicContact CB-CE1 4.1Å; I102-F113 HydrophobicContact CD1-CE1 3.97Å; I102-F113 HydrophobicContact CD1-CZ 4.24Å; I102-F113 HydrophobicContact CG2-CE1 3.88Å; I102-F113 HydrophobicContact CG2-CE2 4.46Å; I102-F113 HydrophobicContact CG2-CZ 3.56Å; L104-F113 HydrophobicContact CD1-CB 4.43Å; L104-F113 HydrophobicContact CD1-CD1 4.47Å; L104-F113 HydrophobicContact CD1-CD2 4.48Å; L104-F113 HydrophobicContact CD1-CG 4.2Å; L104-F113 HydrophobicContact CD2-CD1 4.25Å; L104-F113 HydrophobicContact CD2-CD2 3.53Å; L104-F113 HydrophobicContact CD2-CE1 4.17Å; L104-F113 HydrophobicContact CD2-CE2 3.42Å; L104-F113 VanDerWaalsContact CD2-CE2 3.42Å; L104-F113 HydrophobicContact CD2-CG 3.97Å; L104-F113 HydrophobicContact CD2-CZ 3.79Å; A109-F113 VanDerWaalsContact O-CD2 3.24Å; A109-F113 WeakPolarHBondContact O-CD2 2.76Å; A109-F113 PolarHBondContact O-N 3.1Å; I110-F113 PolarHBondContact O-N 2.77Å; F113-V129 HydrophobicContact CD2-CG1 4.48Å; F113-V129 HydrophobicContact CE2-CB 4.44Å; F113-V129 HydrophobicContact CE2-CG1 4.06Å; F113-V129 HydrophobicContact CE2-CG2 3.87Å; F113-V129 HydrophobicContact CZ-CG2 4.06Å; F113-V148 HydrophobicContact CE2-CG2 4.17Å; F113-V148 HydrophobicContact CZ-CG1 4.42Å; F113-L168 HydrophobicContact CD1-CD1 3.53Å; F113-L168 HydrophobicContact CE1-CD1 3.22Å; F113-L168 HydrophobicContact CE2-CD1 4.37Å; F113-L168 HydrophobicContact CG-CD1 4.21Å; F113-L168 HydrophobicContact CZ-CD1 3.68Å |
| 114 | T | 74.2 | Confident | 71.1 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -78.1 | -30.5 | 178.5 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | I110 E111 A112 G116 A185 L189 | I110-T114 HydrophobicContact CG2-CG2 4.48Å; I110-T114 WeakPolarHBondContact O-CG2 3.43Å; I110-T114 PolarHBondContact O-N 3.07Å; I110-T114 PolarHBondContact O-OG1 3.45Å; E111-T114 PolarHBondContact O-N 3.37Å; E111-T114 PolarHBondContact O-OG1 2.77Å; A112-T114 VanDerWaalsContact C-N 3.33Å; A112-T114 PolarHBondContact O-N 2.87Å; T114-G116 VanDerWaalsContact C-N 3.26Å; T114-G116 PolarHBondContact O-N 3.04Å; T114-A185 HydrophobicContact CG2-CB 3.86Å; T114-L189 HydrophobicContact CG2-CD1 3.27Å; T114-L189 HydrophobicContact CG2-CG 4.07Å |
| 115 | K | 71.3 | Confident | 69.4 | Low | 160 Ų | 160 | 52.2 Ų | 52.2 | 70% | 0.696 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -79.2 | -12.6 | -179 | -72.8 | 172.3 | -178.3 | 171.3 | 0 | 112.7 | E111 A112 | E111-K115 WeakPolarHBondContact O-CB 3.19Å; E111-K115 VanDerWaalsContact O-CG 3.31Å; E111-K115 WeakPolarHBondContact O-CG 2.9Å; E111-K115 PolarHBondContact O-N 2.77Å; A112-K115 PolarHBondContact O-N 3.01Å |
| 116 | G | 64.7 | Low | 68 | Low | 23 Ų | 23 | 51.1 Ų | 51.1 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | trans | 86 | 135.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A112 T114 L168 | A112-G116 PolarHBondContact O-N 3.16Å; T114-G116 VanDerWaalsContact C-N 3.26Å; T114-G116 PolarHBondContact O-N 3.04Å; G116-L168 WeakPolarHBondContact CA-O 3Å | ||
| 117 | G | 64.6 | Low | 66.5 | Low | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 155.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L168 | G117-L168 PolarHBondContact O-N 2.93Å; G117-L168 VanDerWaalsContact O-N 3.13Å |
| 118 | N | 60.9 | Low | 65.2 | Low | 55 Ų | 55 | 45.6 Ų | 45.6 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 137 | 163.7 | 66.2 | 35.7 | 0 | 0 | 0 | 107.9 | V129 G130 Y167 | N118-V129 WeakPolarHBondContact O-CA 3.3Å; N118-G130 PolarHBondContact N-O 2.7Å; N118-G130 PolarHBondContact O-N 3.2Å; N118-G130 WeakPolarHBondContact OD1-CA 3.21Å; N118-G130 PolarHBondContact OD1-N 3.01Å; N118-G130 PolarHBondContact OD1-O 2.86Å; N118-Y167 HydrophobicContact CB-CE1 4.36Å |
| 119 | L | 66.2 | Low | 63.9 | Low | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 109.6 | 171.7 | 173.6 | 70 | 0 | 0 | 0 | 105.1 | I84 L121 V129 S166 L168 | I84-L119 HydrophobicContact CD1-CD2 3.91Å; L119-L121 HydrophobicContact CD1-CD1 4.05Å; L119-L121 HydrophobicContact CD2-CD1 3.54Å; L119-L121 HydrophobicContact CG-CD1 3.5Å; L119-L121 VanDerWaalsContact CG-CD1 3.5Å; L119-V129 HydrophobicContact CD1-CG2 3.41Å; L119-V129 VanDerWaalsContact CD1-CG2 3.41Å; L119-S166 CarbonylContact C-O 3.59Å; L119-S166 PolarHBondContact N-O 3.44Å; L119-S166 CarbonylContact O-C 3.51Å; L119-S166 WeakPolarHBondContact O-CA 3.45Å; L119-S166 WeakPolarHBondContact O-CB 3.08Å; L119-S166 PolarHBondContact O-N 3.15Å; L119-S166 PolarHBondContact O-OG 3.49Å; L119-L168 HydrophobicContact CB-CD1 4.45Å; L119-L168 HydrophobicContact CB-CG 4.33Å; L119-L168 HydrophobicContact CD2-CD1 4.33Å; L119-L168 HydrophobicContact CD2-CD2 4.35Å; L119-L168 HydrophobicContact CD2-CG 4.27Å |
| 120 | T | 60.2 | Low | 62.3 | Low | 49 Ų | 49 | 39.8 Ų | 39.8 | 30% | 0.301 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.6 | 172.6 | -62.7 | 0 | 0 | 0 | 0 | 107.6 | V127 A128 L163 | T120-V127 CarbonylContact C-O 3.53Å; T120-V127 VanDerWaalsContact C-O 3.29Å; T120-V127 WeakPolarHBondContact CA-O 3.33Å; T120-V127 WeakPolarHBondContact CB-O 3.26Å; T120-V127 CarbonylContact O-C 3.57Å; T120-V127 WeakPolarHBondContact O-CA 3.29Å; T120-V127 PolarHBondContact O-N 2.8Å; T120-A128 PolarHBondContact N-O 2.72Å; T120-A128 VanDerWaalsContact N-O 3.16Å; T120-L163 HydrophobicContact CG2-CD1 4.24Å |
| 121 | L | 63.8 | Low | 60.3 | Low | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 114.2 | 171.8 | -105.8 | 72.3 | 0 | 0 | 0 | 106.8 | L119 T126 E164 | L119-L121 HydrophobicContact CD1-CD1 4.05Å; L119-L121 HydrophobicContact CD2-CD1 3.54Å; L119-L121 HydrophobicContact CG-CD1 3.5Å; L119-L121 VanDerWaalsContact CG-CD1 3.5Å; L121-T126 HydrophobicContact CD1-CG2 3.6Å; L121-T126 HydrophobicContact CD2-CG2 4.34Å; L121-T126 HydrophobicContact CG-CG2 3.91Å; L121-E164 PolarHBondContact N-O 3.1Å; L121-E164 VanDerWaalsContact N-O 3.16Å; L121-E164 PolarHBondContact O-N 2.85Å |
| 122 | G | 54.8 | Low | 58.8 | Low | 28 Ų | 28 | 46.1 Ų | 46.1 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116 | 175 | 0 | 0 | 0 | 0 | 0 | 109.6 | C125 | G122-C125 CarbonylContact C-O 3.5Å; G122-C125 PolarHBondContact N-O 3.21Å; G122-C125 VanDerWaalsContact N-O 3.12Å; G122-C125 PolarHBondContact O-N 3.3Å |
| 123 | G | 57.1 | Low | 57 | Low | 26 Ų | 26 | 48.1 Ų | 48.1 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -141.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R61 C125 S162 | R61-G123 PolarHBondContact NH2-O 2.95Å; G123-C125 PolarHBondContact O-N 2.96Å; G123-S162 PolarHBondContact N-O 3.2Å |
| 124 | N | 52.7 | Low | 55.6 | Low | 91 Ų | 91 | 59.1 Ų | 59.1 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 4.5 | -180 | -67.6 | -8.6 | 0 | 0 | 0 | 113.7 | C152 | N124-C152 PolarHBondContact O-SG 2.88Å; N124-C152 VanDerWaalsContact O-SG 3.42Å |
| 125 | C | 49.5 | Very low | 53.8 | Low | 71 Ų | 71 | 65.6 Ų | 65.6 | 48% | 0.48 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 157.2 | -175.8 | -151.5 | 0 | 0 | 0 | 0 | 112.2 | G122 G123 | G122-C125 CarbonylContact C-O 3.5Å; G122-C125 PolarHBondContact N-O 3.21Å; G122-C125 VanDerWaalsContact N-O 3.12Å; G122-C125 PolarHBondContact O-N 3.3Å; G123-C125 PolarHBondContact O-N 2.96Å |
| 126 | T | 55.6 | Low | 52.5 | Low | 28 Ų | 28 | 65.9 Ų | 65.9 | 17% | 0.172 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.9 | -173.8 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | L121 T150 | L121-T126 HydrophobicContact CD1-CG2 3.6Å; L121-T126 HydrophobicContact CD2-CG2 4.34Å; L121-T126 HydrophobicContact CG-CG2 3.91Å; T126-T150 HydrophobicContact CG2-CG2 3.5Å; T126-T150 VanDerWaalsContact CG2-CG2 3.5Å; T126-T150 WeakPolarHBondContact CG2-OG1 3.29Å; T126-T150 WeakPolarHBondContact OG1-CB 3.49Å; T126-T150 PolarHBondContact OG1-OG1 3.45Å |
| 127 | V | 50.6 | Low | 51.2 | Low | 78 Ų | 78 | 72.9 Ų | 72.9 | 47% | 0.473 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 105.9 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | T120 | T120-V127 CarbonylContact C-O 3.53Å; T120-V127 VanDerWaalsContact C-O 3.29Å; T120-V127 WeakPolarHBondContact CA-O 3.33Å; T120-V127 WeakPolarHBondContact CB-O 3.26Å; T120-V127 CarbonylContact O-C 3.57Å; T120-V127 WeakPolarHBondContact O-CA 3.29Å; T120-V127 PolarHBondContact O-N 2.8Å |
| 128 | A | 53.6 | Low | 49.6 | Very low | 57 Ų | 57 | 77.7 Ų | 77.7 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.6 | 128.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | T120 T145 | T120-A128 PolarHBondContact N-O 2.72Å; T120-A128 VanDerWaalsContact N-O 3.16Å; A128-T145 HydrophobicContact CB-CG2 4.38Å |
| 129 | V | 53.3 | Low | 48.5 | Very low | 18 Ų | 18 | 80.6 Ų | 80.6 | 11% | 0.109 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.9 | 166.7 | 176.7 | 0 | 0 | 0 | 0 | 107.4 | F113 N118 L119 | F113-V129 HydrophobicContact CD2-CG1 4.48Å; F113-V129 HydrophobicContact CE2-CB 4.44Å; F113-V129 HydrophobicContact CE2-CG1 4.06Å; F113-V129 HydrophobicContact CE2-CG2 3.87Å; F113-V129 HydrophobicContact CZ-CG2 4.06Å; N118-V129 WeakPolarHBondContact O-CA 3.3Å; L119-V129 HydrophobicContact CD1-CG2 3.41Å; L119-V129 VanDerWaalsContact CD1-CG2 3.41Å |
| 130 | G | 43.8 | Very low | 46.9 | Very low | 16 Ų | 16 | 85.7 Ų | 85.7 | 17% | 0.165 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 145.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N118 | N118-G130 PolarHBondContact N-O 2.7Å; N118-G130 PolarHBondContact O-N 3.2Å; N118-G130 WeakPolarHBondContact OD1-CA 3.21Å; N118-G130 PolarHBondContact OD1-N 3.01Å; N118-G130 PolarHBondContact OD1-O 2.86Å |
| 131 | P | 42.2 | Very low | 45.7 | Very low | 87 Ų | 87 | 86.6 Ų | 86.6 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | trans | -63.6 | 140.5 | 172.2 | 26.1 | -31.5 | 0 | 0 | 0 | 110.7 | ||||
| 132 | M | 46.9 | Very low | 44.5 | Very low | 114 Ų | 114 | 92.9 Ų | 92.9 | 56% | 0.562 | 55% | 0.554 | S | S | * | * | trans | -82.3 | 127 | 174.8 | -60.5 | -143.6 | 76.8 | 0 | 0 | 110.8 | Y167 | M132-Y167 HydrophobicContact CE-CD1 4.01Å; M132-Y167 HydrophobicContact CE-CE1 3.5Å; M132-Y167 VanDerWaalsContact CE-CE1 3.5Å; M132-Y167 HydrophobicContact SD-CD1 4.11Å; M132-Y167 HydrophobicContact SD-CE1 4.22Å | ||
| 133 | G | 35.7 | Very low | 43.6 | Very low | 77 Ų | 77 | 101.4 Ų | 101.4 | 79% | 0.794 | 58% | 0.577 | S | S | * | * | trans | -161.7 | 124.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 134 | R | 45 | Very low | 43 | Very low | 237 Ų | 237 | 103.9 Ų | 103.9 | 89% | 0.894 | 59% | 0.59 | S | S | * | * | trans | -90.7 | 131.5 | 174.6 | -167 | 172.3 | 171 | 165.5 | -2.9 | 107.7 | ||||
| 135 | N | 37 | Very low | 42.6 | Very low | 149 Ų | 149 | 103.1 Ų | 103.1 | 80% | 0.797 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 102.7 | 131.8 | -178.4 | -54.1 | -46.1 | 0 | 0 | 0 | 115.1 | ||
| 136 | L | 43.8 | Very low | 42.6 | Very low | 165 Ų | 165 | 100.5 Ų | 100.5 | 86% | 0.864 | 57% | 0.572 | S | S | * | * | trans | -37.7 | 127.7 | -175.4 | -78.3 | 78.4 | 0 | 0 | 0 | 115 | ||||
| 137 | E | 37.3 | Very low | 42.3 | Very low | 171 Ų | 171 | 102.1 Ų | 102.1 | 80% | 0.799 | 59% | 0.589 | S | S | * | * | -175.4 | 102.8 | 127.9 | -101.3 | 171 | -164.4 | 0 | 0 | 107.5 | D139 | E137-D139 PolarHBondContact O-N 2.96Š| |||
| 138 | A | 32.5 | Very low | 42.9 | Very low | 103 Ų | 103 | 100 Ų | 100 | 85% | 0.851 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 22.1 | -168 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 139 | D | 36.1 | Very low | 43.8 | Very low | 117 Ų | 117 | 101.5 Ų | 101.5 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | -3.8 | -168 | -151.5 | 28.1 | 0 | 0 | 0 | 115.9 | E137 | E137-D139 PolarHBondContact O-N 2.96Š|
| 140 | V | 33.3 | Very low | 45 | Very low | 110 Ų | 110 | 101.6 Ų | 101.6 | 67% | 0.667 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -113.4 | -19.7 | 178.4 | -170.9 | 0 | 0 | 0 | 0 | 113.3 | L142 R143 | V140-L142 PolarHBondContact O-N 2.97Å; V140-R143 PolarHBondContact O-N 3.29Å |
| 141 | A | 35.1 | Very low | 46.7 | Very low | 68 Ų | 68 | 103.3 Ų | 103.3 | 56% | 0.562 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -19.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 142 | L | 37.8 | Very low | 48.6 | Very low | 140 Ų | 140 | 100.6 Ų | 100.6 | 73% | 0.733 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -12.7 | 179.6 | -84.2 | 163.8 | 0 | 0 | 0 | 114.4 | V140 | V140-L142 PolarHBondContact O-N 2.97Š|
| 143 | R | 36.6 | Very low | 50.3 | Low | 207 Ų | 207 | 97 Ų | 97 | 78% | 0.781 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -93.4 | -5.4 | -170.2 | -69 | -169.9 | -176 | -175.9 | 3.7 | 115.6 | V140 | V140-R143 PolarHBondContact O-N 3.29Š|
| 144 | S | 43.6 | Very low | 52.5 | Low | 77 Ų | 77 | 95.3 Ų | 95.3 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | trans | -143.7 | 47 | 178.9 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | A146 | S144-A146 PolarHBondContact O-N 3.42Š| ||
| 145 | T | 46 | Very low | 54.4 | Low | 76 Ų | 76 | 91.9 Ų | 91.9 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | trans | -59.5 | 96.3 | 152.2 | 11.1 | 0 | 0 | 0 | 0 | 106.4 | A128 A147 | A128-T145 HydrophobicContact CB-CG2 4.38Å; T145-A147 PolarHBondContact O-N 3.35Å | ||
| 146 | A | 48.8 | Very low | 56.4 | Low | 15 Ų | 15 | 87.8 Ų | 87.8 | 12% | 0.124 | 49% | 0.493 | C | S | . | . | trans | -60.6 | 111.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | A109 S144 V148 | A109-A146 HydrophobicContact CB-CB 3.55Å; S144-A146 PolarHBondContact O-N 3.42Å; A146-V148 WeakPolarHBondContact O-CG2 3.23Å; A146-V148 PolarHBondContact O-N 3.12Å | ||
| 147 | A | 48.8 | Very low | 58.2 | Low | 63 Ų | 63 | 87 Ų | 87 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | trans | -59.6 | 117 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108 | T145 | T145-A147 PolarHBondContact O-N 3.35Š| ||
| 148 | V | 63.8 | Low | 60 | Low | 34 Ų | 34 | 80.7 Ų | 80.7 | 21% | 0.206 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.8 | -177.9 | 167 | 0 | 0 | 0 | 0 | 106.2 | I102 I103 L104 A109 F113 A146 | I102-V148 HydrophobicContact CB-CG1 4.43Å; I102-V148 HydrophobicContact CG2-CG1 3.07Å; I103-V148 WeakPolarHBondContact O-CA 3.46Å; I103-V148 WeakPolarHBondContact O-CG1 3.24Å; L104-V148 HydrophobicContact CD2-CG1 4.14Å; L104-V148 HydrophobicContact CD2-CG2 3.77Å; A109-V148 HydrophobicContact CB-CG2 3.99Å; F113-V148 HydrophobicContact CE2-CG2 4.17Å; F113-V148 HydrophobicContact CZ-CG1 4.42Å; A146-V148 WeakPolarHBondContact O-CG2 3.23Å; A146-V148 PolarHBondContact O-N 3.12Å |
| 149 | F | 71.9 | Confident | 61.9 | Low | 87 Ų | 87 | 79 Ų | 79 | 38% | 0.382 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.9 | 175.4 | -65 | -84.1 | 0 | 0 | 0 | 108.5 | I102 I103 N105 Y151 | I102-F149 CarbonylContact C-O 3.48Å; I103-F149 HydrophobicContact CB-CB 4.24Å; I103-F149 HydrophobicContact CG1-CB 4.46Å; I103-F149 PolarHBondContact N-O 2.96Å; I103-F149 PolarHBondContact O-N 3.13Å; N105-F149 WeakPolarHBondContact ND2-CE2 3.43Å; F149-Y151 HydrophobicContact CB-CE2 4.42Å |
| 150 | T | 78.4 | Confident | 63.5 | Low | 21 Ų | 21 | 75.6 Ų | 75.6 | 13% | 0.129 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.4 | 175 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | L100 V101 I102 T126 | L100-T150 HydrophobicContact CB-CG2 4.18Å; L100-T150 HydrophobicContact CD2-CG2 4.14Å; V101-T150 WeakPolarHBondContact O-CA 3.37Å; I102-T150 HydrophobicContact CG1-CG2 3.71Å; T126-T150 HydrophobicContact CG2-CG2 3.5Å; T126-T150 VanDerWaalsContact CG2-CG2 3.5Å; T126-T150 WeakPolarHBondContact CG2-OG1 3.29Å; T126-T150 WeakPolarHBondContact OG1-CB 3.49Å; T126-T150 PolarHBondContact OG1-OG1 3.45Å |
| 151 | Y | 80.8 | Confident | 65.3 | Low | 51 Ų | 51 | 76.6 Ų | 76.6 | 20% | 0.2 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.1 | 168.4 | -65 | -94.4 | 0 | 0 | 0 | 108.4 | I35 P36 I39 L100 V101 I103 F149 | I35-Y151 HydrophobicContact CB-CD2 4.43Å; I35-Y151 HydrophobicContact CB-CE2 4.37Å; I35-Y151 HydrophobicContact CD1-CD2 3.97Å; I35-Y151 HydrophobicContact CD1-CG 4.09Å; I35-Y151 HydrophobicContact CG1-CD1 3.88Å; I35-Y151 HydrophobicContact CG1-CD2 3.66Å; I35-Y151 HydrophobicContact CG1-CE1 4.27Å; I35-Y151 HydrophobicContact CG1-CE2 4.08Å; I35-Y151 HydrophobicContact CG1-CG 3.56Å; I35-Y151 HydrophobicContact CG2-CD2 4.18Å; I35-Y151 HydrophobicContact CG2-CE2 3.82Å; P36-Y151 VanDerWaalsContact CD-OH 3.24Å; P36-Y151 WeakPolarHBondContact CD-OH 3.24Å; I39-Y151 HydrophobicContact CG2-CE2 4.45Å; L100-Y151 CarbonylContact C-O 3.55Å; L100-Y151 WeakPolarHBondContact CA-O 3.49Å; V101-Y151 PolarHBondContact N-O 2.92Å; V101-Y151 PolarHBondContact O-N 3.38Å; I103-Y151 HydrophobicContact CG1-CD2 4.23Å; I103-Y151 HydrophobicContact CG1-CE2 4.1Å; F149-Y151 HydrophobicContact CB-CE2 4.42Å |
| 152 | C | 80.6 | Confident | 67 | Low | 31 Ų | 31 | 74 Ų | 74 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.7 | -175.8 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | L100 N124 | L100-C152 HydrophobicContact CD2-CB 3.63Å; L100-C152 WeakPolarHBondContact CD2-SG 3.24Å; N124-C152 PolarHBondContact O-SG 2.88Å; N124-C152 VanDerWaalsContact O-SG 3.42Å |
| 153 | R | 83.8 | Confident | 68.8 | Low | 39 Ų | 39 | 73.3 Ų | 73.3 | 15% | 0.147 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 99 | 172 | -171.8 | 172.2 | 115.8 | 149.9 | 3 | 109.6 | E21 F22 D99 | E21-R153 VanDerWaalsContact CD-NH2 3.26Å; E21-R153 IonicContact OE1-NH2 3.11Å; E21-R153 IonicContact OE2-CZ 3.45Å; E21-R153 IonicContact OE2-NE 2.77Å; E21-R153 PolarHBondContact OE2-NE 3.49Å; E21-R153 IonicContact OE2-NH1 2.72Å; E21-R153 IonicContact OE2-NH2 3.76Å; E21-R153 PolarHBondContact OE2-NH2 3.24Å; F22-R153 HydrophobicContact CE1-CB 4Å; F22-R153 HydrophobicContact CE2-CB 4.02Å; F22-R153 HydrophobicContact CZ-CB 3.43Å; F22-R153 VanDerWaalsContact CZ-CB 3.43Å; D99-R153 PolarHBondContact N-O 3.15Å; D99-R153 PolarHBondContact O-N 2.99Å |
| 154 | S | 80.9 | Confident | 70.7 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 28% | 0.28 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 141.7 | 177.8 | -66 | 0 | 0 | 0 | 0 | 113.4 | E96 V97 S98 | E96-S154 WeakPolarHBondContact OE1-CB 3.25Å; E96-S154 PolarHBondContact OE1-OG 2.92Å; V97-S154 CarbonylContact O-C 3.58Å; S98-S154 PolarHBondContact OG-OG 3.24Å |
| 155 | R | 84.9 | Confident | 72.4 | Confident | 165 Ų | 165 | 61.4 Ų | 61.4 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 124 | 171.4 | -59.6 | 177.4 | 66.5 | 89.5 | 4.1 | 109.2 | V97 | V97-R155 PolarHBondContact N-O 3.03Å; V97-R155 PolarHBondContact O-N 2.77Å |
| 156 | G | 79.8 | Confident | 73.9 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 157.3 | 180 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V95 | V95-G156 WeakPolarHBondContact O-CA 3.2Å |
| 157 | L | 81.8 | Confident | 75.3 | Confident | 149 Ų | 149 | 62.9 Ų | 62.9 | 78% | 0.78 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 103.4 | 170.1 | 179.7 | 65.8 | 0 | 0 | 0 | 106.5 | G94 V95 | G94-L157 CarbonylContact C-O 3.57Å; G94-L157 VanDerWaalsContact CA-O 3.26Å; G94-L157 WeakPolarHBondContact CA-O 3.2Å; V95-L157 PolarHBondContact N-O 3.49Å; V95-L157 PolarHBondContact O-N 2.89Å; V95-L157 VanDerWaalsContact O-N 3.16Å |
| 158 | F | 73.9 | Confident | 77 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 17% | 0.171 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 122.2 | -176.3 | -160.9 | -88.1 | 0 | 0 | 0 | 109.5 | K53 E92 E96 | K53-F158 HydrophobicContact CD-CD1 4.41Å; K53-F158 HydrophobicContact CD-CD2 4.08Å; K53-F158 HydrophobicContact CD-CE1 4Å; K53-F158 HydrophobicContact CD-CE2 3.63Å; K53-F158 HydrophobicContact CD-CG 4.46Å; K53-F158 HydrophobicContact CD-CZ 3.61Å; K53-F158 HydrophobicContact CG-CE2 4.04Å; K53-F158 HydrophobicContact CG-CZ 4.37Å; E92-F158 HydrophobicContact CB-CE1 4.1Å; E92-F158 HydrophobicContact CB-CZ 3.59Å; E92-F158 HydrophobicContact CG-CE1 3.9Å; E92-F158 HydrophobicContact CG-CZ 3.82Å; E92-F158 VanDerWaalsContact OE1-CE1 3.27Å; E92-F158 WeakPolarHBondContact OE1-CE1 3.45Å; E92-F158 WeakPolarHBondContact OE2-CZ 3.45Å; E96-F158 HydrophobicContact CB-CB 3.93Å; E96-F158 HydrophobicContact CB-CD2 4.09Å; E96-F158 HydrophobicContact CB-CG 4.13Å; E96-F158 HydrophobicContact CG-CB 4.43Å |
| 159 | A | 72.6 | Confident | 78 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 55% | 0.554 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109 | E92 L93 | E92-A159 WeakPolarHBondContact CA-O 3.4Å; L93-A159 PolarHBondContact N-O 2.91Å; L93-A159 PolarHBondContact O-N 3.4Å; L93-A159 VanDerWaalsContact O-N 3.16Å |
| 160 | G | 71 | Confident | 78.8 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.9 | 179.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F91 | F91-G160 WeakPolarHBondContact O-CA 3.47Å |
| 161 | I | 70.4 | Confident | 79.4 | Confident | 131 Ų | 131 | 60.9 Ų | 60.9 | 67% | 0.672 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.6 | 172 | 55.1 | 172.2 | 0 | 0 | 0 | 108.9 | G90 F91 E92 | G90-I161 WeakPolarHBondContact CA-O 3.4Å; F91-I161 PolarHBondContact N-O 2.86Å; F91-I161 VanDerWaalsContact N-O 3.17Å; E92-I161 WeakPolarHBondContact CG-O 3.35Å |
| 162 | S | 71.3 | Confident | 79.9 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.3 | 168.7 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | K53 E92 G123 E164 | K53-S162 PolarHBondContact NZ-OG 3.47Å; K53-S162 VanDerWaalsContact NZ-OG 3.08Å; E92-S162 WeakPolarHBondContact OE1-CA 3.39Å; E92-S162 WeakPolarHBondContact OE1-CB 3.23Å; E92-S162 PolarHBondContact OE1-N 2.78Å; E92-S162 PolarHBondContact OE1-OG 3.08Å; E92-S162 WeakPolarHBondContact OE2-CB 3.31Å; E92-S162 PolarHBondContact OE2-OG 2.8Å; G123-S162 PolarHBondContact N-O 3.2Å; S162-E164 WeakPolarHBondContact OG-CG 3.49Å; S162-E164 PolarHBondContact OG-OE1 2.86Å; S162-E164 VanDerWaalsContact OG-OE1 3.14Å |
| 163 | L | 75.5 | Confident | 80.4 | Confident | 126 Ų | 126 | 66.9 Ų | 66.9 | 66% | 0.66 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.9 | 154.7 | -176 | 67.3 | 0 | 0 | 0 | 108.4 | G88 G89 T120 | G88-L163 WeakPolarHBondContact CA-O 3.38Å; G89-L163 PolarHBondContact N-O 2.77Å; G89-L163 PolarHBondContact O-N 2.92Å; T120-L163 HydrophobicContact CG2-CD1 4.24Å |
| 164 | E | 74.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.3 | 178.7 | -55.1 | -167.1 | -156.2 | 0 | 0 | 112.8 | K53 T59 R61 L121 S162 | K53-E164 WeakPolarHBondContact CE-OE1 3.41Å; K53-E164 IonicContact NZ-OE1 3.86Å; K53-E164 PolarHBondContact NZ-OE1 2.88Å; T59-E164 PolarHBondContact OG1-OE1 3.04Å; R61-E164 WeakPolarHBondContact CD-OE2 3.46Å; R61-E164 WeakPolarHBondContact CG-OE2 3.37Å; R61-E164 IonicContact CZ-OE1 2.72Å; R61-E164 IonicContact CZ-OE2 2.97Å; R61-E164 IonicContact NE-OE1 3.11Å; R61-E164 PolarHBondContact NE-OE1 2.97Å; R61-E164 IonicContact NE-OE2 3.87Å; R61-E164 PolarHBondContact NE-OE2 3.34Å; R61-E164 VanDerWaalsContact NE-OE2 3.08Å; R61-E164 IonicContact NH1-OE1 3.04Å; R61-E164 PolarHBondContact NH1-OE1 3.3Å; R61-E164 VanDerWaalsContact NH1-OE1 3.08Å; R61-E164 IonicContact NH1-OE2 3.61Å; R61-E164 PolarHBondContact NH1-OE2 2.8Å; R61-E164 IonicContact NH2-OE1 3Å; L121-E164 PolarHBondContact N-O 3.1Å; L121-E164 VanDerWaalsContact N-O 3.16Å; L121-E164 PolarHBondContact O-N 2.85Å; S162-E164 WeakPolarHBondContact OG-CG 3.49Å; S162-E164 PolarHBondContact OG-OE1 2.86Å; S162-E164 VanDerWaalsContact OG-OE1 3.14Å |
| 165 | G | 79.3 | Confident | 81.4 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G86 L87 | G86-G165 CarbonylContact C-O 3.49Å; G86-G165 WeakPolarHBondContact CA-O 3.38Å; L87-G165 PolarHBondContact N-O 2.98Å; L87-G165 PolarHBondContact O-N 2.56Å; L87-G165 VanDerWaalsContact O-N 3.09Å; L87-G165 VanDerWaalsContact O-O 3.11Å |
| 166 | S | 78.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 153.2 | 172 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | A85 L119 | A85-S166 CarbonylContact O-C 3.59Å; A85-S166 WeakPolarHBondContact O-CA 3.43Å; L119-S166 CarbonylContact C-O 3.59Å; L119-S166 PolarHBondContact N-O 3.44Å; L119-S166 CarbonylContact O-C 3.51Å; L119-S166 WeakPolarHBondContact O-CA 3.45Å; L119-S166 WeakPolarHBondContact O-CB 3.08Å; L119-S166 PolarHBondContact O-N 3.15Å; L119-S166 PolarHBondContact O-OG 3.49Å |
| 167 | Y | 78.8 | Confident | 82.4 | Confident | 121 Ų | 121 | 67.7 Ų | 67.7 | 48% | 0.475 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.6 | 178.5 | -64.1 | -81.5 | 0 | 0 | 0 | 108.7 | I84 A85 N118 M132 | I84-Y167 WeakPolarHBondContact CA-O 3.37Å; A85-Y167 PolarHBondContact N-O 2.93Å; A85-Y167 PolarHBondContact O-N 2.88Å; N118-Y167 HydrophobicContact CB-CE1 4.36Å; M132-Y167 HydrophobicContact CE-CD1 4.01Å; M132-Y167 HydrophobicContact CE-CE1 3.5Å; M132-Y167 VanDerWaalsContact CE-CE1 3.5Å; M132-Y167 HydrophobicContact SD-CD1 4.11Å; M132-Y167 HydrophobicContact SD-CE1 4.22Å |
| 168 | L | 83.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.9 | 166.8 | -69.1 | 173.7 | 0 | 0 | 0 | 108.8 | I49 G83 I84 F113 G116 G117 L119 | I49-L168 HydrophobicContact CD1-CD2 3.84Å; G83-L168 WeakPolarHBondContact O-CA 3.42Å; I84-L168 HydrophobicContact CB-CD2 4.13Å; I84-L168 HydrophobicContact CD1-CD2 4.41Å; I84-L168 HydrophobicContact CG1-CD2 4.26Å; F113-L168 HydrophobicContact CD1-CD1 3.53Å; F113-L168 HydrophobicContact CE1-CD1 3.22Å; F113-L168 HydrophobicContact CE2-CD1 4.37Å; F113-L168 HydrophobicContact CG-CD1 4.21Å; F113-L168 HydrophobicContact CZ-CD1 3.68Å; G116-L168 WeakPolarHBondContact CA-O 3Å; G117-L168 PolarHBondContact O-N 2.93Å; G117-L168 VanDerWaalsContact O-N 3.13Å; L119-L168 HydrophobicContact CB-CD1 4.45Å; L119-L168 HydrophobicContact CB-CG 4.33Å; L119-L168 HydrophobicContact CD2-CD1 4.33Å; L119-L168 HydrophobicContact CD2-CD2 4.35Å; L119-L168 HydrophobicContact CD2-CG 4.27Å |
| 169 | I | 85.1 | Confident | 84 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 43% | 0.431 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.6 | -179.1 | 54.7 | 171 | 0 | 0 | 0 | 110.3 | I82 G83 | I82-I169 CarbonylContact C-O 3.47Å; I82-I169 WeakPolarHBondContact CA-O 3.47Å; G83-I169 PolarHBondContact N-O 3Å; G83-I169 WeakPolarHBondContact O-CG1 3.37Å; G83-I169 PolarHBondContact O-N 2.78Å |
| 170 | E | 89.3 | Confident | 84.9 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 129.8 | 168.9 | -178.7 | -171.2 | 176.8 | 0 | 0 | 109.9 | K172 R184 A185 | E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 HydrophobicContact CB-CG 4.41Å; E170-K172 HydrophobicContact CG-CG 3.81Å; E170-K172 PolarHBondContact O-N 2.63Å; E170-K172 VanDerWaalsContact O-N 3.13Å; E170-K172 WeakPolarHBondContact OE1-CG 2.86Å; E170-K172 WeakPolarHBondContact OE2-CE 3.42Å; E170-R184 WeakPolarHBondContact OE1-CA 3.43Å; E170-A185 HydrophobicContact CG-CB 3.82Å; E170-A185 PolarHBondContact OE1-N 3.02Å |
| 171 | R | 91.3 | Very high | 86 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 13% | 0.128 | 33% | 0.331 | C | S | . | . | trans | -89.9 | 66.8 | 175.4 | -66.9 | 175.6 | 58.6 | -174.6 | -5.6 | 111.1 | P5 S6 E11 A81 I82 D173 T174 N175 | P5-R171 VanDerWaalsContact CB-NH1 3.3Å; S6-R171 PolarHBondContact O-NH2 2.94Å; E11-R171 IonicContact OE1-NH1 3.8Å; E11-R171 PolarHBondContact OE1-NH1 3.08Å; E11-R171 VanDerWaalsContact OE1-NH1 3.11Å; A81-R171 HydrophobicContact CB-CB 3.77Å; A81-R171 PolarHBondContact O-N 2.83Å; A81-R171 VanDerWaalsContact O-N 3.09Å; I82-R171 VanDerWaalsContact O-CD 3.27Å; I82-R171 WeakPolarHBondContact O-CD 3.34Å; R171-D173 VanDerWaalsContact C-N 3.29Å; R171-D173 PolarHBondContact O-N 2.99Å; R171-T174 PolarHBondContact NE-OG1 2.79Å; R171-T174 PolarHBondContact NH2-OG1 3.04Å; R171-T174 WeakPolarHBondContact O-CA 3.36Å; R171-T174 WeakPolarHBondContact O-CB 3.33Å; R171-T174 PolarHBondContact O-N 3.16Å; R171-N175 PolarHBondContact O-N 3.42Å | ||
| 172 | K | 91.1 | Very high | 87.1 | Confident | 92 Ų | 92 | 67 Ų | 67 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -49.4 | -45 | -176.9 | -69.8 | 177.2 | -176.8 | 171.3 | 0 | 113.5 | E170 T174 N175 R176 | E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 HydrophobicContact CB-CG 4.41Å; E170-K172 HydrophobicContact CG-CG 3.81Å; E170-K172 PolarHBondContact O-N 2.63Å; E170-K172 VanDerWaalsContact O-N 3.13Å; E170-K172 WeakPolarHBondContact OE1-CG 2.86Å; E170-K172 WeakPolarHBondContact OE2-CE 3.42Å; K172-T174 VanDerWaalsContact C-N 3.28Å; K172-T174 PolarHBondContact O-N 3.14Å; K172-N175 PolarHBondContact O-N 3.41Å; K172-R176 WeakPolarHBondContact O-CB 3.22Å; K172-R176 PolarHBondContact O-N 2.83Å |
| 173 | D | 91.4 | Very high | 88.1 | Confident | 116 Ų | 116 | 66.8 Ų | 66.8 | 62% | 0.62 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.8 | -33.7 | 179.1 | -62 | -50.1 | 0 | 0 | 0 | 112.9 | R171 K177 | R171-D173 VanDerWaalsContact C-N 3.29Å; R171-D173 PolarHBondContact O-N 2.99Å; D173-K177 WeakPolarHBondContact O-CB 3.42Å; D173-K177 WeakPolarHBondContact O-CD 3.44Å; D173-K177 WeakPolarHBondContact O-CG 3.2Å; D173-K177 PolarHBondContact O-N 3.05Å |
| 174 | T | 92.3 | Very high | 88.8 | Confident | 25 Ų | 25 | 68 Ų | 68 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.7 | -42.4 | 177.1 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | L8 A81 R171 K172 F178 | L8-T174 HydrophobicContact CB-CG2 4.26Å; A81-T174 HydrophobicContact CB-CG2 3.78Å; R171-T174 PolarHBondContact NE-OG1 2.79Å; R171-T174 PolarHBondContact NH2-OG1 3.04Å; R171-T174 WeakPolarHBondContact O-CA 3.36Å; R171-T174 WeakPolarHBondContact O-CB 3.33Å; R171-T174 PolarHBondContact O-N 3.16Å; K172-T174 VanDerWaalsContact C-N 3.28Å; K172-T174 PolarHBondContact O-N 3.14Å; T174-F178 WeakPolarHBondContact O-CB 3.49Å; T174-F178 PolarHBondContact O-N 2.94Å; T174-F178 VanDerWaalsContact O-N 3.11Å |
| 175 | N | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 173.8 | -72.4 | -17.7 | 0 | 0 | 0 | 111.3 | S80 A81 R171 K172 K177 F178 Y179 I188 | S80-N175 PolarHBondContact OG-ND2 3.21Å; A81-N175 VanDerWaalsContact CB-OD1 3.23Å; A81-N175 WeakPolarHBondContact CB-OD1 3.43Å; A81-N175 PolarHBondContact N-OD1 2.9Å; R171-N175 PolarHBondContact O-N 3.42Å; K172-N175 PolarHBondContact O-N 3.41Å; N175-K177 VanDerWaalsContact C-N 3.33Å; N175-K177 PolarHBondContact O-N 3.28Å; N175-F178 PolarHBondContact O-N 3.33Å; N175-F178 VanDerWaalsContact O-N 3.13Å; N175-Y179 HydrophobicContact CB-CD2 4.38Å; N175-Y179 VanDerWaalsContact O-CD2 3.29Å; N175-Y179 WeakPolarHBondContact O-CD2 3.26Å; N175-Y179 PolarHBondContact O-N 3.2Å; N175-I188 HydrophobicContact CB-CD1 3.95Å |
| 176 | R | 92.9 | Very high | 90.2 | Very high | 136 Ų | 136 | 68.4 Ų | 68.4 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 179.4 | -179.7 | -179 | 178 | -81.4 | -2.5 | 112.5 | K172 F178 C180 Q181 | K172-R176 WeakPolarHBondContact O-CB 3.22Å; K172-R176 PolarHBondContact O-N 2.83Å; R176-F178 VanDerWaalsContact C-N 3.34Å; R176-C180 WeakPolarHBondContact O-CA 3.47Å; R176-C180 PolarHBondContact O-N 3.07Å; R176-Q181 VanDerWaalsContact CA-O 3.3Å; R176-Q181 WeakPolarHBondContact CA-O 3.16Å; R176-Q181 PolarHBondContact O-N 3.32Å |
| 177 | K | 92.8 | Very high | 90.8 | Very high | 164 Ų | 164 | 75 Ų | 75 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.9 | -35.8 | 177.9 | -75.6 | 173.1 | -175.8 | 179.9 | 0 | 112.6 | D173 N175 | D173-K177 WeakPolarHBondContact O-CB 3.42Å; D173-K177 WeakPolarHBondContact O-CD 3.44Å; D173-K177 WeakPolarHBondContact O-CG 3.2Å; D173-K177 PolarHBondContact O-N 3.05Å; N175-K177 VanDerWaalsContact C-N 3.33Å; N175-K177 PolarHBondContact O-N 3.28Å |
| 178 | F | 94.6 | Very high | 91.6 | Very high | 50 Ų | 50 | 69.2 Ų | 69.2 | 22% | 0.219 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -79.1 | -44.3 | -178 | -175.5 | -92.1 | 0 | 0 | 0 | 112.5 | L8 T174 N175 R176 C180 P196 E198 | L8-F178 HydrophobicContact CB-CB 4.02Å; L8-F178 HydrophobicContact CB-CD2 3.63Å; L8-F178 HydrophobicContact CB-CE2 4.2Å; L8-F178 HydrophobicContact CB-CG 3.82Å; L8-F178 HydrophobicContact CD2-CB 3.89Å; L8-F178 HydrophobicContact CD2-CD1 3.54Å; L8-F178 HydrophobicContact CD2-CD2 4.11Å; L8-F178 HydrophobicContact CD2-CE1 4.03Å; L8-F178 HydrophobicContact CD2-CG 3.56Å; L8-F178 HydrophobicContact CD2-CZ 4.49Å; L8-F178 HydrophobicContact CG-CD1 4.48Å; L8-F178 HydrophobicContact CG-CD2 4.26Å; L8-F178 HydrophobicContact CG-CG 4.19Å; T174-F178 WeakPolarHBondContact O-CB 3.49Å; T174-F178 PolarHBondContact O-N 2.94Å; T174-F178 VanDerWaalsContact O-N 3.11Å; N175-F178 PolarHBondContact O-N 3.33Å; N175-F178 VanDerWaalsContact O-N 3.13Å; R176-F178 VanDerWaalsContact C-N 3.34Å; F178-C180 VanDerWaalsContact C-N 3.33Å; F178-P196 HydrophobicContact CE1-CB 3.69Å; F178-P196 HydrophobicContact CE1-CG 3.71Å; F178-P196 HydrophobicContact CZ-CB 3.67Å; F178-P196 HydrophobicContact CZ-CG 3.87Å; F178-E198 HydrophobicContact CE2-CG 4.47Å; F178-E198 HydrophobicContact CZ-CG 4.48Å |
| 179 | Y | 94.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 69.1 Ų | 69.1 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -88 | -1.8 | -177.7 | -65.3 | -65.1 | 0 | 0 | 0 | 113.9 | L8 A78 P79 N175 Q181 I183 I188 V193 | L8-Y179 HydrophobicContact CD2-CE2 4.09Å; A78-Y179 HydrophobicContact CB-CE1 4.36Å; P79-Y179 VanDerWaalsContact CD-OH 3.25Å; P79-Y179 WeakPolarHBondContact CD-OH 3.32Å; P79-Y179 PolarHBondContact O-OH 3.11Å; N175-Y179 HydrophobicContact CB-CD2 4.38Å; N175-Y179 VanDerWaalsContact O-CD2 3.29Å; N175-Y179 WeakPolarHBondContact O-CD2 3.26Å; N175-Y179 PolarHBondContact O-N 3.2Å; Y179-Q181 WeakPolarHBondContact O-CG 3.48Å; Y179-Q181 PolarHBondContact O-N 3.28Å; Y179-I183 HydrophobicContact CD2-CG2 4.06Å; Y179-I183 HydrophobicContact CG-CG2 4.35Å; Y179-I188 HydrophobicContact CD2-CD1 3.86Å; Y179-I188 HydrophobicContact CD2-CG1 4.32Å; Y179-I188 HydrophobicContact CE2-CD1 3.56Å; Y179-I188 HydrophobicContact CE2-CG1 4.06Å; Y179-I188 HydrophobicContact CE2-CG2 4.26Å; Y179-V193 HydrophobicContact CD1-CB 4.48Å; Y179-V193 HydrophobicContact CD1-CG1 3.57Å; Y179-V193 HydrophobicContact CE1-CB 4.46Å; Y179-V193 HydrophobicContact CE1-CG1 3.69Å; Y179-V193 HydrophobicContact CG-CG1 4.48Å |
| 180 | C | 91.9 | Very high | 92.4 | Very high | 119 Ų | 119 | 69.9 Ų | 69.9 | 80% | 0.804 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 54.2 | 23.6 | -177.3 | -61.3 | 0 | 0 | 0 | 0 | 114.1 | R176 F178 | R176-C180 WeakPolarHBondContact O-CA 3.47Å; R176-C180 PolarHBondContact O-N 3.07Å; F178-C180 VanDerWaalsContact C-N 3.33Å |
| 181 | Q | 93.6 | Very high | 92.6 | Very high | 88 Ų | 88 | 69.7 Ų | 69.7 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -145.7 | 149.8 | -178.9 | 63.6 | 179.9 | -53.9 | 0 | 0 | 109.9 | R176 Y179 I183 V193 | R176-Q181 VanDerWaalsContact CA-O 3.3Å; R176-Q181 WeakPolarHBondContact CA-O 3.16Å; R176-Q181 PolarHBondContact O-N 3.32Å; Y179-Q181 WeakPolarHBondContact O-CG 3.48Å; Y179-Q181 PolarHBondContact O-N 3.28Å; Q181-I183 HydrophobicContact CG-CB 3.94Å; Q181-I183 HydrophobicContact CG-CG2 3.77Å; Q181-I183 PolarHBondContact O-N 3.31Å; Q181-I183 VanDerWaalsContact O-N 3.07Å; Q181-V193 VanDerWaalsContact NE2-CG2 3.34Å |
| 182 | D | 92.6 | Very high | 92.7 | Very high | 134 Ų | 134 | 71.5 Ų | 71.5 | 72% | 0.717 | 35% | 0.351 | S | S | * | . | trans | -77 | 96 | 173.6 | -171.4 | 14.8 | 0 | 0 | 0 | 109.7 | ||||
| 183 | I | 92 | Very high | 92.9 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 5% | 0.046 | 34% | 0.339 | C | S | . | . | trans | -133 | 135.6 | -174.7 | -167.7 | 174 | 0 | 0 | 0 | 111.1 | Y179 Q181 R187 I188 D192 V193 | Y179-I183 HydrophobicContact CD2-CG2 4.06Å; Y179-I183 HydrophobicContact CG-CG2 4.35Å; Q181-I183 HydrophobicContact CG-CB 3.94Å; Q181-I183 HydrophobicContact CG-CG2 3.77Å; Q181-I183 PolarHBondContact O-N 3.31Å; Q181-I183 VanDerWaalsContact O-N 3.07Å; I183-R187 HydrophobicContact CD1-CB 3.85Å; I183-R187 HydrophobicContact CG1-CB 3.59Å; I183-R187 HydrophobicContact CG1-CG 4.46Å; I183-I188 HydrophobicContact CD1-CG1 3.81Å; I183-I188 HydrophobicContact CG1-CG1 3.96Å; I183-I188 HydrophobicContact CG2-CD1 3.96Å; I183-I188 HydrophobicContact CG2-CG1 3.92Å; I183-D192 HydrophobicContact CD1-CB 4.4Å; I183-V193 HydrophobicContact CD1-CG2 3.28Å | ||
| 184 | R | 91.8 | Very high | 92.9 | Very high | 151 Ų | 151 | 70.7 Ų | 70.7 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | trans | -85.1 | 154.3 | 176.3 | -63.9 | -169.4 | -178.8 | -172.6 | 2.4 | 112 | E170 S186 R187 I188 | E170-R184 WeakPolarHBondContact OE1-CA 3.43Å; R184-S186 PolarHBondContact O-N 2.82Å; R184-R187 WeakPolarHBondContact O-CB 3.43Å; R184-R187 PolarHBondContact O-N 2.72Å; R184-I188 PolarHBondContact O-N 3.37Å; R184-I188 VanDerWaalsContact O-N 3.08Å | ||
| 185 | A | 91.7 | Very high | 93 | Very high | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.008 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -50.3 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | S80 T114 E170 R187 I188 L189 | S80-A185 WeakPolarHBondContact OG-CA 3.3Å; S80-A185 WeakPolarHBondContact OG-CB 3.42Å; T114-A185 HydrophobicContact CG2-CB 3.86Å; E170-A185 HydrophobicContact CG-CB 3.82Å; E170-A185 PolarHBondContact OE1-N 3.02Å; A185-R187 VanDerWaalsContact C-N 3.3Å; A185-R187 PolarHBondContact O-N 3Å; A185-I188 PolarHBondContact O-N 3.25Å; A185-L189 WeakPolarHBondContact O-CB 3.15Å; A185-L189 VanDerWaalsContact O-CG 3.26Å; A185-L189 WeakPolarHBondContact O-CG 3.03Å; A185-L189 PolarHBondContact O-N 3.05Å |
| 186 | S | 90.4 | Very high | 93.1 | Very high | 43 Ų | 43 | 73.1 Ų | 73.1 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 178.1 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | R184 N190 | R184-S186 PolarHBondContact O-N 2.82Å; S186-N190 VanDerWaalsContact O-CB 3.27Å; S186-N190 WeakPolarHBondContact O-CB 3.35Å; S186-N190 PolarHBondContact O-N 2.75Å; S186-N190 PolarHBondContact O-ND2 2.9Å |
| 187 | R | 92.6 | Very high | 93.1 | Very high | 139 Ų | 139 | 72.3 Ų | 72.3 | 53% | 0.525 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 178 | -65 | -80.1 | -75.3 | 153.3 | -5.4 | 110.8 | I183 R184 A185 L189 N190 G191 D192 | I183-R187 HydrophobicContact CD1-CB 3.85Å; I183-R187 HydrophobicContact CG1-CB 3.59Å; I183-R187 HydrophobicContact CG1-CG 4.46Å; R184-R187 WeakPolarHBondContact O-CB 3.43Å; R184-R187 PolarHBondContact O-N 2.72Å; A185-R187 VanDerWaalsContact C-N 3.3Å; A185-R187 PolarHBondContact O-N 3Å; R187-L189 PolarHBondContact O-N 3.04Å; R187-N190 PolarHBondContact O-N 3.27Å; R187-G191 PolarHBondContact O-N 3.08Å; R187-D192 WeakPolarHBondContact CA-OD2 3.26Å; R187-D192 HydrophobicContact CB-CB 4.29Å; R187-D192 WeakPolarHBondContact CB-OD2 3.46Å; R187-D192 WeakPolarHBondContact CD-OD2 3.44Å; R187-D192 VanDerWaalsContact CZ-CG 3.43Å; R187-D192 IonicContact CZ-OD1 3.08Å; R187-D192 IonicContact CZ-OD2 2.66Å; R187-D192 IonicContact NE-OD2 3.21Å; R187-D192 PolarHBondContact NE-OD2 2.97Å; R187-D192 IonicContact NH1-OD1 3.08Å; R187-D192 PolarHBondContact NH1-OD1 3.07Å; R187-D192 IonicContact NH1-OD2 3.54Å; R187-D192 PolarHBondContact NH1-OD2 3.35Å; R187-D192 IonicContact NH2-OD2 3.08Å; R187-D192 WeakPolarHBondContact O-CB 3.25Å; R187-D192 PolarHBondContact O-N 3.45Å; R187-D192 VanDerWaalsContact O-N 3.11Å; R187-D192 VanDerWaalsContact O-OD2 3.12Å |
| 188 | I | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.5 | -50.9 | 174.4 | -62.2 | 164.6 | 0 | 0 | 0 | 110.5 | A78 N175 Y179 I183 R184 A185 N190 G191 | A78-I188 HydrophobicContact CB-CG2 3.78Å; A78-I188 WeakPolarHBondContact O-CG2 3.39Å; N175-I188 HydrophobicContact CB-CD1 3.95Å; Y179-I188 HydrophobicContact CD2-CD1 3.86Å; Y179-I188 HydrophobicContact CD2-CG1 4.32Å; Y179-I188 HydrophobicContact CE2-CD1 3.56Å; Y179-I188 HydrophobicContact CE2-CG1 4.06Å; Y179-I188 HydrophobicContact CE2-CG2 4.26Å; I183-I188 HydrophobicContact CD1-CG1 3.81Å; I183-I188 HydrophobicContact CG1-CG1 3.96Å; I183-I188 HydrophobicContact CG2-CD1 3.96Å; I183-I188 HydrophobicContact CG2-CG1 3.92Å; R184-I188 PolarHBondContact O-N 3.37Å; R184-I188 VanDerWaalsContact O-N 3.08Å; A185-I188 PolarHBondContact O-N 3.25Å; I188-N190 VanDerWaalsContact C-N 3.27Å; I188-N190 PolarHBondContact O-N 2.71Å; I188-G191 PolarHBondContact O-N 3.28Å |
| 189 | L | 93.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.7 | -18.3 | -177.4 | -64 | -167 | 0 | 0 | 0 | 113.7 | V67 A69 L71 S77 I110 T114 A185 R187 G191 | V67-L189 HydrophobicContact CG1-CD1 3.82Å; V67-L189 HydrophobicContact CG1-CD2 4.27Å; V67-L189 HydrophobicContact CG1-CG 4.48Å; V67-L189 HydrophobicContact CG2-CD1 3.94Å; V67-L189 WeakPolarHBondContact O-CD2 3.27Å; A69-L189 HydrophobicContact CB-CB 3.86Å; A69-L189 HydrophobicContact CB-CD1 4.32Å; A69-L189 HydrophobicContact CB-CD2 4.17Å; A69-L189 HydrophobicContact CB-CG 4.34Å; L71-L189 WeakPolarHBondContact CD2-O 3.14Å; S77-L189 WeakPolarHBondContact OG-CD2 3.4Å; I110-L189 HydrophobicContact CG2-CB 4.33Å; I110-L189 HydrophobicContact CG2-CD1 3.56Å; T114-L189 HydrophobicContact CG2-CD1 3.27Å; T114-L189 HydrophobicContact CG2-CG 4.07Å; A185-L189 WeakPolarHBondContact O-CB 3.15Å; A185-L189 VanDerWaalsContact O-CG 3.26Å; A185-L189 WeakPolarHBondContact O-CG 3.03Å; A185-L189 PolarHBondContact O-N 3.05Å; R187-L189 PolarHBondContact O-N 3.04Å; L189-G191 VanDerWaalsContact C-N 3.27Å |
| 190 | N | 92.9 | Very high | 93 | Very high | 101 Ų | 101 | 70.9 Ų | 70.9 | 54% | 0.54 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4 | 170.8 | -75.3 | -24.4 | 0 | 0 | 0 | 113.1 | L71 S186 R187 I188 | L71-N190 VanDerWaalsContact CD2-C 3.44Å; S186-N190 VanDerWaalsContact O-CB 3.27Å; S186-N190 WeakPolarHBondContact O-CB 3.35Å; S186-N190 PolarHBondContact O-N 2.75Å; S186-N190 PolarHBondContact O-ND2 2.9Å; R187-N190 PolarHBondContact O-N 3.27Å; I188-N190 VanDerWaalsContact C-N 3.27Å; I188-N190 PolarHBondContact O-N 2.71Å |
| 191 | G | 92.9 | Very high | 93.1 | Very high | 31 Ų | 31 | 69.4 Ų | 69.4 | 32% | 0.32 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 19.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R187 I188 L189 V193 | R187-G191 PolarHBondContact O-N 3.08Å; I188-G191 PolarHBondContact O-N 3.28Å; L189-G191 VanDerWaalsContact C-N 3.27Å; G191-V193 PolarHBondContact O-N 3.33Å |
| 192 | D | 93.4 | Very high | 93.1 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -68.9 | -7.8 | 175 | -65.1 | -49.1 | 0 | 0 | 0 | 113 | I183 R187 | I183-D192 HydrophobicContact CD1-CB 4.4Å; R187-D192 WeakPolarHBondContact CA-OD2 3.26Å; R187-D192 HydrophobicContact CB-CB 4.29Å; R187-D192 WeakPolarHBondContact CB-OD2 3.46Å; R187-D192 WeakPolarHBondContact CD-OD2 3.44Å; R187-D192 VanDerWaalsContact CZ-CG 3.43Å; R187-D192 IonicContact CZ-OD1 3.08Å; R187-D192 IonicContact CZ-OD2 2.66Å; R187-D192 IonicContact NE-OD2 3.21Å; R187-D192 PolarHBondContact NE-OD2 2.97Å; R187-D192 IonicContact NH1-OD1 3.08Å; R187-D192 PolarHBondContact NH1-OD1 3.07Å; R187-D192 IonicContact NH1-OD2 3.54Å; R187-D192 PolarHBondContact NH1-OD2 3.35Å; R187-D192 IonicContact NH2-OD2 3.08Å; R187-D192 WeakPolarHBondContact O-CB 3.25Å; R187-D192 PolarHBondContact O-N 3.45Å; R187-D192 VanDerWaalsContact O-N 3.11Å; R187-D192 VanDerWaalsContact O-OD2 3.12Å |
| 193 | V | 95 | Very high | 93.2 | Very high | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -135.8 | 144.3 | 176.7 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | A78 Y179 Q181 I183 G191 | A78-V193 HydrophobicContact CB-CB 4.37Å; A78-V193 WeakPolarHBondContact CB-O 3.4Å; Y179-V193 HydrophobicContact CD1-CB 4.48Å; Y179-V193 HydrophobicContact CD1-CG1 3.57Å; Y179-V193 HydrophobicContact CE1-CB 4.46Å; Y179-V193 HydrophobicContact CE1-CG1 3.69Å; Y179-V193 HydrophobicContact CG-CG1 4.48Å; Q181-V193 VanDerWaalsContact NE2-CG2 3.34Å; I183-V193 HydrophobicContact CD1-CG2 3.28Å; G191-V193 PolarHBondContact O-N 3.33Å |
| 194 | E | 92.4 | Very high | 93.2 | Very high | 167 Ų | 167 | 64 Ų | 64 | 78% | 0.78 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 143.7 | 178.1 | -65.8 | -171.6 | 168.7 | 0 | 0 | 112.3 | P196 | E194-P196 WeakPolarHBondContact O-CD 3.26Š|
| 195 | P | 94.3 | Very high | 93.2 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 122.5 | 172.2 | -28.2 | 36.7 | 0 | 0 | 0 | 112.2 | W76 Y203 | W76-P195 WeakPolarHBondContact O-CG 3.27Å; P195-Y203 HydrophobicContact CB-CE2 3.77Å |
| 196 | P | 94.2 | Very high | 93.1 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 12% | 0.117 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 148.6 | -179.9 | 30.7 | -36.7 | 0 | 0 | 0 | 112 | P79 F178 E194 E198 F199 | P79-P196 VanDerWaalsContact CD-CD 3.41Å; P79-P196 HydrophobicContact CG-CG 4.02Å; F178-P196 HydrophobicContact CE1-CB 3.69Å; F178-P196 HydrophobicContact CE1-CG 3.71Å; F178-P196 HydrophobicContact CZ-CB 3.67Å; F178-P196 HydrophobicContact CZ-CG 3.87Å; E194-P196 WeakPolarHBondContact O-CD 3.26Å; P196-E198 WeakPolarHBondContact CB-OE2 3.37Å; P196-E198 PolarHBondContact O-N 2.83Å; P196-F199 HydrophobicContact CG-CD2 3.72Å; P196-F199 HydrophobicContact CG-CE2 4.35Å; P196-F199 HydrophobicContact CG-CG 4.43Å; P196-F199 PolarHBondContact O-N 3.01Å; P196-F199 VanDerWaalsContact O-N 3.15Å |
| 197 | T | 93.3 | Very high | 93 | Very high | 120 Ų | 120 | 59 Ų | 59 | 74% | 0.736 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -64.5 | -24.1 | -179.9 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | F199 Y200 | T197-F199 PolarHBondContact O-N 2.69Å; T197-F199 VanDerWaalsContact O-N 3.09Å; T197-Y200 VanDerWaalsContact O-CB 3.28Å; T197-Y200 WeakPolarHBondContact O-CB 3.41Å; T197-Y200 PolarHBondContact O-N 2.86Å; T197-Y200 VanDerWaalsContact O-N 3.08Å |
| 198 | E | 92.7 | Very high | 92.7 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -58.6 | -21.5 | 175 | -70.6 | 77.1 | -169.7 | 0 | 0 | 114 | R9 A12 F178 P196 | R9-E198 HydrophobicContact CB-CG 4.49Å; R9-E198 HydrophobicContact CG-CG 3.97Å; R9-E198 VanDerWaalsContact CZ-CG 3.44Å; R9-E198 IonicContact CZ-OE1 3.13Å; R9-E198 IonicContact NH1-OE1 3.01Å; R9-E198 PolarHBondContact NH1-OE1 2.91Å; R9-E198 IonicContact NH2-OE1 2.65Å; R9-E198 PolarHBondContact NH2-OE1 3.19Å; A12-E198 WeakPolarHBondContact CB-O 3.34Å; F178-E198 HydrophobicContact CE2-CG 4.47Å; F178-E198 HydrophobicContact CZ-CG 4.48Å; P196-E198 WeakPolarHBondContact CB-OE2 3.37Å; P196-E198 PolarHBondContact O-N 2.83Å |
| 199 | F | 94.1 | Very high | 92 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -101.2 | 7 | -179.1 | -80.2 | -104.9 | 0 | 0 | 0 | 113.5 | L8 A12 V66 P79 P196 T197 D201 L202 Y203 | L8-F199 HydrophobicContact CD1-CE2 4.48Å; L8-F199 HydrophobicContact CD1-CZ 3.94Å; L8-F199 HydrophobicContact CD2-CE2 4.48Å; L8-F199 HydrophobicContact CG-CE2 3.92Å; L8-F199 HydrophobicContact CG-CZ 3.89Å; A12-F199 HydrophobicContact CB-CD1 3.84Å; A12-F199 HydrophobicContact CB-CD2 3.54Å; A12-F199 HydrophobicContact CB-CE1 3.68Å; A12-F199 HydrophobicContact CB-CE2 3.38Å; A12-F199 HydrophobicContact CB-CG 3.79Å; A12-F199 HydrophobicContact CB-CZ 3.45Å; A12-F199 VanDerWaalsContact CB-CZ 3.45Å; V66-F199 HydrophobicContact CB-CE1 4.31Å; V66-F199 HydrophobicContact CG1-CE1 3.98Å; V66-F199 HydrophobicContact CG1-CZ 3.96Å; V66-F199 HydrophobicContact CG2-CE1 4.2Å; P79-F199 HydrophobicContact CB-CD1 3.79Å; P79-F199 HydrophobicContact CB-CE1 3.42Å; P79-F199 VanDerWaalsContact CB-CE1 3.42Å; P79-F199 HydrophobicContact CB-CE2 4.18Å; P79-F199 HydrophobicContact CB-CG 4.31Å; P79-F199 HydrophobicContact CB-CZ 3.63Å; P79-F199 HydrophobicContact CG-CB 4.49Å; P79-F199 HydrophobicContact CG-CD1 3.61Å; P79-F199 HydrophobicContact CG-CD2 3.49Å; P79-F199 VanDerWaalsContact CG-CD2 3.49Å; P79-F199 HydrophobicContact CG-CE1 3.47Å; P79-F199 VanDerWaalsContact CG-CE1 3.47Å; P79-F199 HydrophobicContact CG-CE2 3.34Å; P79-F199 HydrophobicContact CG-CG 3.6Å; P79-F199 HydrophobicContact CG-CZ 3.33Å; P196-F199 HydrophobicContact CG-CD2 3.72Å; P196-F199 HydrophobicContact CG-CE2 4.35Å; P196-F199 HydrophobicContact CG-CG 4.43Å; P196-F199 PolarHBondContact O-N 3.01Å; P196-F199 VanDerWaalsContact O-N 3.15Å; T197-F199 PolarHBondContact O-N 2.69Å; T197-F199 VanDerWaalsContact O-N 3.09Å; F199-D201 VanDerWaalsContact C-N 3.26Å; F199-D201 PolarHBondContact O-N 2.97Å; F199-L202 HydrophobicContact CD1-CB 4.4Å; F199-L202 HydrophobicContact CD1-CD2 3.76Å; F199-L202 HydrophobicContact CE1-CD2 4.28Å; F199-L202 WeakPolarHBondContact O-CB 3.49Å; F199-L202 PolarHBondContact O-N 2.91Å; F199-Y203 HydrophobicContact CB-CD2 3.99Å; F199-Y203 HydrophobicContact CB-CE2 3.44Å; F199-Y203 VanDerWaalsContact CB-CE2 3.44Å; F199-Y203 WeakPolarHBondContact O-CD2 3.2Å; F199-Y203 PolarHBondContact O-N 3.33Å; F199-Y203 VanDerWaalsContact O-N 3.12Å |
| 200 | Y | 93.8 | Very high | 91.4 | Very high | 154 Ų | 154 | 58.8 Ų | 58.8 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -49.3 | -46.5 | 179 | 179.5 | -95.4 | 0 | 0 | 0 | 112.7 | T197 L202 Y203 H204 | T197-Y200 VanDerWaalsContact O-CB 3.28Å; T197-Y200 WeakPolarHBondContact O-CB 3.41Å; T197-Y200 PolarHBondContact O-N 2.86Å; T197-Y200 VanDerWaalsContact O-N 3.08Å; Y200-L202 VanDerWaalsContact C-N 3.28Å; Y200-L202 PolarHBondContact O-N 2.83Å; Y200-Y203 PolarHBondContact O-N 3.13Å; Y200-H204 HydrophobicContact CE1-CB 4.35Å; Y200-H204 VanDerWaalsContact O-CB 3.3Å; Y200-H204 WeakPolarHBondContact O-CB 3.28Å; Y200-H204 PolarHBondContact O-N 3.42Å |
| 201 | D | 93.5 | Very high | 90.8 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -37 | 179.4 | -72.3 | -18.3 | 0 | 0 | 0 | 113 | A16 F199 I205 | A16-D201 HydrophobicContact CB-CB 3.98Å; F199-D201 VanDerWaalsContact C-N 3.26Å; F199-D201 PolarHBondContact O-N 2.97Å; D201-I205 VanDerWaalsContact O-CD1 3.31Å; D201-I205 WeakPolarHBondContact O-CD1 3.31Å; D201-I205 VanDerWaalsContact O-CG1 3.23Å; D201-I205 WeakPolarHBondContact O-CG1 3.34Å; D201-I205 PolarHBondContact O-N 3.01Å |
| 202 | L | 93.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.5 | -48.5 | 178.6 | 179.3 | 67.7 | 0 | 0 | 0 | 110.4 | A15 A16 L19 I48 I68 F199 Y200 I205 L206 | A15-L202 HydrophobicContact CB-CD1 4.31Å; A15-L202 HydrophobicContact CB-CD2 4.39Å; A16-L202 HydrophobicContact CB-CB 4.23Å; L19-L202 HydrophobicContact CB-CD1 4.14Å; L19-L202 HydrophobicContact CD2-CD1 3.61Å; I48-L202 HydrophobicContact CD1-CD1 3.65Å; I48-L202 HydrophobicContact CD1-CD2 4.46Å; I68-L202 HydrophobicContact CD1-CD2 4.3Å; F199-L202 HydrophobicContact CD1-CB 4.4Å; F199-L202 HydrophobicContact CD1-CD2 3.76Å; F199-L202 HydrophobicContact CE1-CD2 4.28Å; F199-L202 WeakPolarHBondContact O-CB 3.49Å; F199-L202 PolarHBondContact O-N 2.91Å; Y200-L202 VanDerWaalsContact C-N 3.28Å; Y200-L202 PolarHBondContact O-N 2.83Å; L202-I205 PolarHBondContact O-N 2.98Å; L202-L206 HydrophobicContact CG-CD1 4.39Å; L202-L206 WeakPolarHBondContact O-CG 3.45Å; L202-L206 PolarHBondContact O-N 3.27Å |
| 203 | Y | 94.4 | Very high | 88.6 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 179.3 | -61.2 | -53.7 | 0 | 0 | 0 | 111.6 | I68 W76 S77 P79 P195 F199 Y200 I205 L206 D207 | I68-Y203 HydrophobicContact CG2-CE1 4.35Å; W76-Y203 HydrophobicContact CB-CD1 3.69Å; W76-Y203 HydrophobicContact CB-CE1 3.49Å; W76-Y203 VanDerWaalsContact CB-CE1 3.49Å; W76-Y203 HydrophobicContact CG-CD1 4.04Å; W76-Y203 HydrophobicContact CG-CE1 4.23Å; S77-Y203 PolarHBondContact O-OH 3.39Å; P79-Y203 WeakPolarHBondContact CD-OH 3.13Å; P195-Y203 HydrophobicContact CB-CE2 3.77Å; F199-Y203 HydrophobicContact CB-CD2 3.99Å; F199-Y203 HydrophobicContact CB-CE2 3.44Å; F199-Y203 VanDerWaalsContact CB-CE2 3.44Å; F199-Y203 WeakPolarHBondContact O-CD2 3.2Å; F199-Y203 PolarHBondContact O-N 3.33Å; F199-Y203 VanDerWaalsContact O-N 3.12Å; Y200-Y203 PolarHBondContact O-N 3.13Å; Y203-I205 VanDerWaalsContact C-N 3.29Å; Y203-I205 PolarHBondContact O-N 3.12Å; Y203-L206 WeakPolarHBondContact O-CB 3.47Å; Y203-L206 PolarHBondContact O-N 2.75Å; Y203-D207 VanDerWaalsContact O-CG 3.31Å; Y203-D207 PolarHBondContact O-N 2.87Å |
| 204 | H | 92.4 | Very high | 87.4 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58 | -40.8 | 177.2 | -176.8 | 62.3 | 0 | 0 | 0 | 112.4 | Y200 D207 V208 | Y200-H204 HydrophobicContact CE1-CB 4.35Å; Y200-H204 VanDerWaalsContact O-CB 3.3Å; Y200-H204 WeakPolarHBondContact O-CB 3.28Å; Y200-H204 PolarHBondContact O-N 3.42Å; H204-D207 PolarHBondContact O-N 3.13Å; H204-V208 WeakPolarHBondContact O-CB 3.39Å; H204-V208 VanDerWaalsContact O-CG2 3.24Å; H204-V208 WeakPolarHBondContact O-CG2 3.41Å; H204-V208 PolarHBondContact O-N 2.92Å |
| 205 | I | 90.4 | Very high | 86.3 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.1 | -67.5 | 160.6 | 0 | 0 | 0 | 111 | A16 L19 R20 D201 L202 Y203 Y209 | A16-I205 HydrophobicContact CB-CD1 4.18Å; A16-I205 WeakPolarHBondContact O-CD1 3.39Å; L19-I205 HydrophobicContact CD2-CB 4.16Å; L19-I205 HydrophobicContact CD2-CG2 3.7Å; L19-I205 HydrophobicContact CG-CG2 3.89Å; R20-I205 HydrophobicContact CB-CD1 4.03Å; D201-I205 VanDerWaalsContact O-CD1 3.31Å; D201-I205 WeakPolarHBondContact O-CD1 3.31Å; D201-I205 VanDerWaalsContact O-CG1 3.23Å; D201-I205 WeakPolarHBondContact O-CG1 3.34Å; D201-I205 PolarHBondContact O-N 3.01Å; L202-I205 PolarHBondContact O-N 2.98Å; Y203-I205 VanDerWaalsContact C-N 3.29Å; Y203-I205 PolarHBondContact O-N 3.12Å; I205-Y209 VanDerWaalsContact O-CB 3.26Å; I205-Y209 WeakPolarHBondContact O-CB 3.01Å; I205-Y209 PolarHBondContact O-N 2.94Å |
| 206 | L | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 179.6 | -68 | 164.6 | 0 | 0 | 0 | 111.9 | L19 I40 L46 I68 W76 L202 Y203 Y209 T210 | L19-L206 HydrophobicContact CD2-CD1 4.49Å; L19-L206 HydrophobicContact CD2-CD2 3.55Å; L19-L206 HydrophobicContact CD2-CG 3.69Å; I40-L206 HydrophobicContact CG2-CD2 3.68Å; L46-L206 HydrophobicContact CD1-CD2 4.44Å; L46-L206 HydrophobicContact CD2-CD2 4.01Å; I68-L206 HydrophobicContact CD1-CD1 3.33Å; W76-L206 HydrophobicContact CD2-CD1 4.23Å; W76-L206 HydrophobicContact CG-CD1 4.49Å; W76-L206 HydrophobicContact CZ2-CD1 4.26Å; W76-L206 HydrophobicContact CZ2-CD2 4.42Å; L202-L206 HydrophobicContact CG-CD1 4.39Å; L202-L206 WeakPolarHBondContact O-CG 3.45Å; L202-L206 PolarHBondContact O-N 3.27Å; Y203-L206 WeakPolarHBondContact O-CB 3.47Å; Y203-L206 PolarHBondContact O-N 2.75Å; L206-Y209 PolarHBondContact O-N 2.65Å; L206-T210 VanDerWaalsContact O-CB 3.3Å; L206-T210 WeakPolarHBondContact O-CB 3.1Å; L206-T210 PolarHBondContact O-N 3.5Å; L206-T210 PolarHBondContact O-OG1 2.93Å |
| 207 | D | 88.8 | Confident | 83.2 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.5 | -50.9 | -179 | -66.7 | -19.3 | 0 | 0 | 0 | 110.6 | Y203 H204 Y209 T210 E211 | Y203-D207 VanDerWaalsContact O-CG 3.31Å; Y203-D207 PolarHBondContact O-N 2.87Å; H204-D207 PolarHBondContact O-N 3.13Å; D207-Y209 PolarHBondContact O-N 3.09Å; D207-T210 PolarHBondContact O-N 2.91Å; D207-T210 VanDerWaalsContact O-N 3.11Å; D207-E211 WeakPolarHBondContact O-CB 3.41Å; D207-E211 WeakPolarHBondContact O-CG 3.08Å; D207-E211 PolarHBondContact O-N 2.99Å |
| 208 | V | 86 | Confident | 81.7 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.8 | -41.8 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | H204 A212 | H204-V208 WeakPolarHBondContact O-CB 3.39Å; H204-V208 VanDerWaalsContact O-CG2 3.24Å; H204-V208 WeakPolarHBondContact O-CG2 3.41Å; H204-V208 PolarHBondContact O-N 2.92Å; V208-A212 WeakPolarHBondContact O-CB 3.29Å; V208-A212 PolarHBondContact O-N 2.68Å |
| 209 | Y | 79.6 | Confident | 80.2 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.8 | -35.7 | -179.4 | -152.1 | -110.8 | 0 | 0 | 0 | 112.6 | T23 I35 A37 I40 I205 L206 D207 Y213 | T23-Y209 HydrophobicContact CG2-CD1 4.11Å; T23-Y209 HydrophobicContact CG2-CD2 4.13Å; T23-Y209 HydrophobicContact CG2-CE1 4.07Å; T23-Y209 HydrophobicContact CG2-CE2 4.16Å; T23-Y209 HydrophobicContact CG2-CG 4.13Å; T23-Y209 WeakPolarHBondContact O-CE2 3.27Å; I35-Y209 VanDerWaalsContact O-CE1 3.25Å; I35-Y209 WeakPolarHBondContact O-CE1 3.44Å; I35-Y209 PolarHBondContact O-OH 2.88Å; A37-Y209 HydrophobicContact CB-CD1 3.78Å; A37-Y209 HydrophobicContact CB-CE1 3.47Å; A37-Y209 VanDerWaalsContact CB-CE1 3.47Å; A37-Y209 HydrophobicContact CB-CG 4.49Å; I40-Y209 HydrophobicContact CB-CD1 4.18Å; I40-Y209 HydrophobicContact CD1-CD1 3.56Å; I40-Y209 HydrophobicContact CD1-CE1 3.78Å; I40-Y209 HydrophobicContact CG1-CD1 4.32Å; I205-Y209 VanDerWaalsContact O-CB 3.26Å; I205-Y209 WeakPolarHBondContact O-CB 3.01Å; I205-Y209 PolarHBondContact O-N 2.94Å; L206-Y209 PolarHBondContact O-N 2.65Å; D207-Y209 PolarHBondContact O-N 3.09Å; Y209-Y213 PolarHBondContact O-N 2.81Å |
| 210 | T | 81.2 | Confident | 78.5 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 175 | -58 | 0 | 0 | 0 | 0 | 111 | A41 L206 D207 Y213 T214 | A41-T210 HydrophobicContact CB-CG2 4.02Å; L206-T210 VanDerWaalsContact O-CB 3.3Å; L206-T210 WeakPolarHBondContact O-CB 3.1Å; L206-T210 PolarHBondContact O-N 3.5Å; L206-T210 PolarHBondContact O-OG1 2.93Å; D207-T210 PolarHBondContact O-N 2.91Å; D207-T210 VanDerWaalsContact O-N 3.11Å; T210-Y213 WeakPolarHBondContact O-CB 3.5Å; T210-Y213 PolarHBondContact O-N 2.82Å; T210-T214 PolarHBondContact O-N 2.8Å |
| 211 | E | 80.8 | Confident | 76.8 | Confident | 123 Ų | 123 | 64.8 Ų | 64.8 | 58% | 0.575 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 177.5 | -75.6 | 179.2 | -177.3 | 0 | 0 | 112 | D207 Y213 T214 T215 | D207-E211 WeakPolarHBondContact O-CB 3.41Å; D207-E211 WeakPolarHBondContact O-CG 3.08Å; D207-E211 PolarHBondContact O-N 2.99Å; E211-Y213 VanDerWaalsContact C-N 3.26Å; E211-Y213 PolarHBondContact O-N 2.81Å; E211-T214 WeakPolarHBondContact CA-OG1 3.3Å; E211-T214 PolarHBondContact O-N 2.94Å; E211-T214 VanDerWaalsContact O-N 3.11Å; E211-T214 PolarHBondContact O-OG1 2.81Å; E211-T215 PolarHBondContact O-N 2.73Å; E211-T215 PolarHBondContact O-OG1 3.17Å |
| 212 | A | 71.3 | Confident | 75 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.6 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V208 D216 | V208-A212 WeakPolarHBondContact O-CB 3.29Å; V208-A212 PolarHBondContact O-N 2.68Å; A212-D216 WeakPolarHBondContact O-CB 3.46Å; A212-D216 PolarHBondContact O-N 3.11Å |
| 213 | Y | 68.8 | Low | 73 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 173.1 | 176.1 | -112.5 | 0 | 0 | 0 | 112.4 | A37 H38 A41 Y209 T210 E211 T215 D216 W217 | A37-Y213 HydrophobicContact CB-CD2 4.36Å; A37-Y213 HydrophobicContact CB-CG 4.36Å; H38-Y213 HydrophobicContact CB-CD2 3.87Å; H38-Y213 HydrophobicContact CB-CE1 4.23Å; H38-Y213 HydrophobicContact CB-CE2 3.34Å; A41-Y213 HydrophobicContact CB-CD1 3.64Å; A41-Y213 HydrophobicContact CB-CE1 4.2Å; A41-Y213 HydrophobicContact CB-CG 4.31Å; Y209-Y213 PolarHBondContact O-N 2.81Å; T210-Y213 WeakPolarHBondContact O-CB 3.5Å; T210-Y213 PolarHBondContact O-N 2.82Å; E211-Y213 VanDerWaalsContact C-N 3.26Å; E211-Y213 PolarHBondContact O-N 2.81Å; Y213-T215 PolarHBondContact O-N 3.24Å; Y213-D216 PolarHBondContact O-N 2.89Å; Y213-W217 HydrophobicContact CE2-CB 4.49Å; Y213-W217 VanDerWaalsContact O-CB 3.23Å; Y213-W217 WeakPolarHBondContact O-CB 3.39Å; Y213-W217 PolarHBondContact O-N 3.03Å |
| 214 | T | 69.8 | Low | 71.1 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.2 | -35.8 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | T210 E211 T218 | T210-T214 PolarHBondContact O-N 2.8Å; E211-T214 WeakPolarHBondContact CA-OG1 3.3Å; E211-T214 PolarHBondContact O-N 2.94Å; E211-T214 VanDerWaalsContact O-N 3.11Å; E211-T214 PolarHBondContact O-OG1 2.81Å; T214-T218 WeakPolarHBondContact O-CB 3.44Å; T214-T218 PolarHBondContact O-N 3.3Å; T214-T218 PolarHBondContact O-OG1 3.32Å |
| 215 | T | 69.4 | Low | 69.2 | Low | 94 Ų | 94 | 80.5 Ų | 80.5 | 58% | 0.577 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71 | -47.3 | 179.4 | -54 | 0 | 0 | 0 | 0 | 111.6 | E211 Y213 T218 S219 | E211-T215 PolarHBondContact O-N 2.73Å; E211-T215 PolarHBondContact O-OG1 3.17Å; Y213-T215 PolarHBondContact O-N 3.24Å; T215-T218 PolarHBondContact O-N 3.04Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 2.95Å; T215-S219 PolarHBondContact O-OG 3.11Å |
| 216 | D | 64.3 | Low | 67.5 | Low | 75 Ų | 75 | 83.8 Ų | 83.8 | 40% | 0.401 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 177 | -176.7 | 59.6 | 0 | 0 | 0 | 112.4 | A212 Y213 S219 K220 | A212-D216 WeakPolarHBondContact O-CB 3.46Å; A212-D216 PolarHBondContact O-N 3.11Å; Y213-D216 PolarHBondContact O-N 2.89Å; D216-S219 PolarHBondContact O-OG 3.46Å; D216-K220 VanDerWaalsContact CG-NZ 3.35Å; D216-K220 WeakPolarHBondContact O-CB 3.33Å; D216-K220 WeakPolarHBondContact O-CG 3.45Å; D216-K220 PolarHBondContact O-N 3.47Å; D216-K220 VanDerWaalsContact OD1-CE 3.24Å; D216-K220 WeakPolarHBondContact OD1-CE 3.4Å; D216-K220 IonicContact OD1-NZ 3.08Å; D216-K220 PolarHBondContact OD1-NZ 3.47Å; D216-K220 WeakPolarHBondContact OD2-CE 3.25Å; D216-K220 IonicContact OD2-NZ 2.94Å; D216-K220 PolarHBondContact OD2-NZ 2.89Å |
| 217 | W | 59.4 | Low | 65.9 | Low | 141 Ų | 141 | 89.4 Ų | 89.4 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 173.6 | -177.5 | 89.5 | 0 | 0 | 0 | 111.5 | Y213 N221 | Y213-W217 HydrophobicContact CE2-CB 4.49Å; Y213-W217 VanDerWaalsContact O-CB 3.23Å; Y213-W217 WeakPolarHBondContact O-CB 3.39Å; Y213-W217 PolarHBondContact O-N 3.03Å; W217-N221 VanDerWaalsContact CD2-ND2 3.3Å; W217-N221 PolarHBondContact NE1-ND2 3.22Å; W217-N221 VanDerWaalsContact NE1-ND2 3.14Å; W217-N221 WeakPolarHBondContact O-CB 3.4Å; W217-N221 PolarHBondContact O-N 3.07Å; W217-N221 VanDerWaalsContact O-N 3.1Å; W217-N221 PolarHBondContact O-ND2 2.86Å |
| 218 | T | 60.1 | Low | 64.4 | Low | 58 Ų | 58 | 91 Ų | 91 | 36% | 0.356 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | -178.4 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | T214 T215 N221 L222 | T214-T218 WeakPolarHBondContact O-CB 3.44Å; T214-T218 PolarHBondContact O-N 3.3Å; T214-T218 PolarHBondContact O-OG1 3.32Å; T215-T218 PolarHBondContact O-N 3.04Å; T218-N221 PolarHBondContact O-N 3.01Å; T218-L222 HydrophobicContact CG2-CD1 3.5Å; T218-L222 VanDerWaalsContact CG2-CD1 3.5Å; T218-L222 HydrophobicContact CG2-CG 4.13Å; T218-L222 VanDerWaalsContact O-CB 3.3Å; T218-L222 WeakPolarHBondContact O-CB 3.42Å; T218-L222 VanDerWaalsContact O-CG 3.26Å; T218-L222 WeakPolarHBondContact O-CG 3.48Å; T218-L222 PolarHBondContact O-N 2.71Å |
| 219 | S | 61.8 | Low | 63.2 | Low | 59 Ų | 59 | 93.3 Ų | 93.3 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 177.7 | 64.5 | 0 | 0 | 0 | 0 | 112 | T215 D216 N221 V223 | T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 2.95Å; T215-S219 PolarHBondContact O-OG 3.11Å; D216-S219 PolarHBondContact O-OG 3.46Å; S219-N221 PolarHBondContact O-N 2.59Å; S219-V223 WeakPolarHBondContact O-CG2 3.33Å; S219-V223 PolarHBondContact O-N 3.14Å; S219-V223 VanDerWaalsContact O-N 3.15Å |
| 220 | K | 58.5 | Low | 62.2 | Low | 129 Ų | 129 | 96.7 Ų | 96.7 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 178.3 | -72.9 | 171.2 | 179.4 | 164.1 | 0 | 113 | D216 A224 | D216-K220 VanDerWaalsContact CG-NZ 3.35Å; D216-K220 WeakPolarHBondContact O-CB 3.33Å; D216-K220 WeakPolarHBondContact O-CG 3.45Å; D216-K220 PolarHBondContact O-N 3.47Å; D216-K220 VanDerWaalsContact OD1-CE 3.24Å; D216-K220 WeakPolarHBondContact OD1-CE 3.4Å; D216-K220 IonicContact OD1-NZ 3.08Å; D216-K220 PolarHBondContact OD1-NZ 3.47Å; D216-K220 WeakPolarHBondContact OD2-CE 3.25Å; D216-K220 IonicContact OD2-NZ 2.94Å; D216-K220 PolarHBondContact OD2-NZ 2.89Å; K220-A224 PolarHBondContact O-N 2.98Å |
| 221 | N | 57.7 | Low | 61.2 | Low | 68 Ų | 68 | 106.6 Ų | 106.6 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -81.9 | -24.2 | -178.3 | -71.7 | -65.8 | 0 | 0 | 0 | 114.3 | W217 T218 S219 | W217-N221 VanDerWaalsContact CD2-ND2 3.3Å; W217-N221 PolarHBondContact NE1-ND2 3.22Å; W217-N221 VanDerWaalsContact NE1-ND2 3.14Å; W217-N221 WeakPolarHBondContact O-CB 3.4Å; W217-N221 PolarHBondContact O-N 3.07Å; W217-N221 VanDerWaalsContact O-N 3.1Å; W217-N221 PolarHBondContact O-ND2 2.86Å; T218-N221 PolarHBondContact O-N 3.01Å; S219-N221 PolarHBondContact O-N 2.59Å |
| 222 | L | 56.6 | Low | 60.4 | Low | 114 Ų | 114 | 105.9 Ų | 105.9 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.8 | -37.9 | 171.6 | -76.1 | 170 | 0 | 0 | 0 | 111.8 | T218 A224 R225 | T218-L222 HydrophobicContact CG2-CD1 3.5Å; T218-L222 VanDerWaalsContact CG2-CD1 3.5Å; T218-L222 HydrophobicContact CG2-CG 4.13Å; T218-L222 VanDerWaalsContact O-CB 3.3Å; T218-L222 WeakPolarHBondContact O-CB 3.42Å; T218-L222 VanDerWaalsContact O-CG 3.26Å; T218-L222 WeakPolarHBondContact O-CG 3.48Å; T218-L222 PolarHBondContact O-N 2.71Å; L222-A224 VanDerWaalsContact C-N 3.3Å; L222-A224 PolarHBondContact O-N 3.41Å; L222-R225 PolarHBondContact O-N 2.94Å |
| 223 | V | 52.1 | Low | 59.7 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 68% | 0.679 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.7 | -33.8 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | S219 R225 S226 | S219-V223 WeakPolarHBondContact O-CG2 3.33Å; S219-V223 PolarHBondContact O-N 3.14Å; S219-V223 VanDerWaalsContact O-N 3.15Å; V223-R225 VanDerWaalsContact C-N 3.27Å; V223-R225 PolarHBondContact O-N 3.33Å; V223-S226 PolarHBondContact O-OG 3.29Å |
| 224 | A | 53.5 | Low | 58.8 | Low | 83 Ų | 83 | 110.8 Ų | 110.8 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -14.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K220 L222 | K220-A224 PolarHBondContact O-N 2.98Å; L222-A224 VanDerWaalsContact C-N 3.3Å; L222-A224 PolarHBondContact O-N 3.41Å |
| 225 | R | 54.1 | Low | 57.8 | Low | 224 Ų | 224 | 113.1 Ų | 113.1 | 85% | 0.845 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -2.4 | -174.8 | -85.3 | -176.6 | 159.9 | -173.8 | -4.1 | 115.1 | L222 V223 | L222-R225 PolarHBondContact O-N 2.94Å; V223-R225 VanDerWaalsContact C-N 3.27Å; V223-R225 PolarHBondContact O-N 3.33Å |
| 226 | S | 53.7 | Low | 57.1 | Low | 85 Ų | 85 | 114.6 Ų | 114.6 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -96.5 | 2.1 | -168.9 | 59 | 0 | 0 | 0 | 0 | 116.8 | V223 | V223-S226 PolarHBondContact O-OG 3.29Š|
| 227 | V | 57.2 | Low | 56.6 | Low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | trans | -139.1 | 97.6 | 173.3 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 228 | P | 57 | Low | 56 | Low | 109 Ų | 109 | 123.2 Ų | 123.2 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | trans | -67.2 | 130.9 | 159.4 | 26.7 | -29.1 | 0 | 0 | 0 | 108.6 | S230 | P228-S230 PolarHBondContact O-N 3.01Š| ||
| 229 | P | 59.4 | Low | 55.1 | Low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | -60.4 | 126.9 | 173.4 | 23.5 | -30.8 | 0 | 0 | 0 | 108.8 | R231 | P229-R231 PolarHBondContact O-N 3.36Š| ||
| 230 | S | 59.8 | Low | 54.1 | Low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -59.7 | 104 | 175 | 44.6 | 0 | 0 | 0 | 0 | 109.2 | P228 P232 | P228-S230 PolarHBondContact O-N 3.01Å; S230-P232 WeakPolarHBondContact O-CD 3.31Å | ||
| 231 | R | 59.8 | Low | 53.2 | Low | 232 Ų | 232 | 135.9 Ų | 135.9 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 120.8 | 176.1 | -171.7 | -178.7 | -164.8 | -166.9 | 4.8 | 108.7 | P229 | P229-R231 PolarHBondContact O-N 3.36Š|
| 232 | P | 64.9 | Low | 52.2 | Low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63 | 143.9 | 172.9 | 24 | -30.9 | 0 | 0 | 0 | 109.9 | S230 | S230-P232 WeakPolarHBondContact O-CD 3.31Š|
| 233 | P | 55.3 | Low | 51.3 | Low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 138.2 | -178.6 | 23.6 | -30.8 | 0 | 0 | 0 | 110.9 | ||
| 234 | A | 49.7 | Very low | 50.4 | Low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 138.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 235 | P | 50.2 | Low | 49.5 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140.1 | 173.6 | 26.1 | -30.8 | 0 | 0 | 0 | 111.1 | Q237 | P235-Q237 PolarHBondContact O-N 3.45Š|
| 236 | S | 54.5 | Low | 48.6 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -69.3 | 110.3 | -179.8 | 36.1 | 0 | 0 | 0 | 0 | 111.5 | K238 | S236-K238 PolarHBondContact O-N 2.8Š| ||
| 237 | Q | 53 | Low | 47.8 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 119.7 | 172.7 | -77.7 | -179.7 | -28.6 | 0 | 0 | 110.6 | P235 K239 | P235-Q237 PolarHBondContact O-N 3.45Å; Q237-K239 PolarHBondContact O-N 3.35Å |
| 238 | K | 46.8 | Very low | 46.6 | Very low | 207 Ų | 207 | 153 Ų | 153 | 90% | 0.9 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 126 | 166.9 | -72.5 | -177.5 | 178.2 | 178.8 | 0 | 109.3 | S236 A240 | S236-K238 PolarHBondContact O-N 2.8Å; K238-A240 PolarHBondContact O-N 3.26Å |
| 239 | K | 42.4 | Very low | 45.5 | Very low | 214 Ų | 214 | 155.7 Ų | 155.7 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -63 | 121.8 | 171.5 | -101.1 | 178.3 | 172.9 | 178 | 0 | 110.2 | Q237 | Q237-K239 PolarHBondContact O-N 3.35Š|
| 240 | A | 39.7 | Very low | 44.2 | Very low | 98 Ų | 98 | 155 Ų | 155 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 133.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | K238 | K238-A240 PolarHBondContact O-N 3.26Š|
| 241 | Q | 39.1 | Very low | 43 | Very low | 200 Ų | 200 | 158.6 Ų | 158.6 | 94% | 0.935 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 139.3 | -178.4 | -78.1 | 171.7 | -47.7 | 0 | 0 | 112 | ||
| 242 | S | 37.9 | Very low | 41.6 | Very low | 107 Ų | 107 | 159 Ų | 159 | 75% | 0.748 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 127.4 | 172.2 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 243 | S | 37 | Very low | 39.9 | Very low | 121 Ų | 121 | 163 Ų | 163 | 85% | 0.846 | 85% | 0.849 | S | S | * | * | trans | -116.3 | 103.5 | 159.6 | 54.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 244 | Y | 32.8 | Very low | 38.6 | Very low | 217 Ų | 217 | 164.3 Ų | 164.3 | 85% | 0.851 | 85% | 0.85 | S | S | * | * | trans | -72.2 | 129.4 | 172 | -91.8 | -90.4 | 0 | 0 | 0 | 110 | ||||
| 245 | R | 34.6 | Very low | 37.7 | Very low | 239 Ų | 239 | 172 Ų | 172 | 90% | 0.902 | 86% | 0.86 | S | S | * | * | trans | -131.4 | 111.8 | 160.9 | -167.5 | 175.4 | -174 | 178.7 | 1.6 | 108.1 | ||||
| 246 | Q | 35.8 | Very low | 36.7 | Very low | 185 Ų | 185 | 173.4 Ų | 173.4 | 86% | 0.864 | 86% | 0.86 | S | S | * | * | trans | -80.5 | 142.2 | 170.5 | -91.2 | 172.8 | -23.8 | 0 | 0 | 110.3 | ||||
| 247 | P | 37.3 | Very low | 35.2 | Very low | 126 Ų | 126 | 178.3 Ų | 178.3 | 82% | 0.818 | 86% | 0.861 | S | S | * | * | trans | -114.3 | 148.6 | 155.4 | 18.2 | 1.1 | 0 | 0 | 0 | 113 | ||||
| 248 | N | 32.2 | Very low | 34.2 | Very low | 170 Ų | 170 | 175.5 Ų | 175.5 | 91% | 0.909 | 86% | 0.859 | S | S | * | * | trans | -71 | 155.9 | -177.4 | -100.5 | -20.7 | 0 | 0 | 0 | 114.5 | ||||
| 249 | N | 33.6 | Very low | 33.3 | Very low | 164 Ų | 164 | 171.3 Ų | 171.3 | 88% | 0.877 | 86% | 0.856 | S | S | * | * | trans | -53.3 | 135.7 | 170.9 | -91.1 | -21.8 | 0 | 0 | 0 | 114.8 | ||||
| 250 | S | 33 | Very low | 32.9 | Very low | 107 Ų | 107 | 165.7 Ų | 165.7 | 75% | 0.748 | 85% | 0.849 | S | S | * | * | trans | -171.1 | 118.6 | 131 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 251 | E | 33.6 | Very low | 32.4 | Very low | 191 Ų | 191 | 166 Ų | 166 | 89% | 0.893 | 85% | 0.846 | S | S | * | * | trans | 65.6 | 126.8 | 143.4 | -58.5 | -171.4 | 140.5 | 0 | 0 | 123.5 | ||||
| 252 | R | 31.1 | Very low | 31.8 | Very low | 240 Ų | 240 | 162.4 Ų | 162.4 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | trans | 98.2 | 99.7 | 141.2 | -128.8 | 174.9 | -169.6 | -156.6 | 2.1 | 120 | ||||
| 253 | K | 28.6 | Very low | 31.3 | Very low | 190 Ų | 190 | 168.6 Ų | 168.6 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | trans | 35.4 | 113.3 | 146.1 | -85.5 | -178.9 | 170.4 | -179.8 | 0 | 119 | ||||
| 254 | D | 28.1 | Very low | 30.7 | Very low | 153 Ų | 153 | 171.1 Ų | 171.1 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | -157.7 | 120.6 | 110.7 | -94.6 | -32.8 | 0 | 0 | 0 | 111.1 | |||||
| 255 | R | 31.5 | Very low | 30.5 | Very low | 253 Ų | 253 | 164.8 Ų | 164.8 | 96% | 0.955 | 83% | 0.829 | S | S | * | * | trans | -98.5 | 90 | 174.9 | -85.2 | -179.3 | 160.4 | -178.9 | -5.4 | 108.1 | ||||
| 256 | L | 27.3 | Very low | 30.2 | Very low | 145 Ų | 145 | 160.1 Ų | 160.1 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -97.5 | 98.5 | 156.6 | -91.2 | 103.6 | 0 | 0 | 0 | 107.5 | ||||
| 257 | Y | 24.2 | Very low | 29.8 | Very low | 227 Ų | 227 | 156.8 Ų | 156.8 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | 172.3 | 109.6 | 146.1 | -79.9 | -59.5 | 0 | 0 | 0 | 107.3 | ||||
| 258 | P | 31.5 | Very low | 29.4 | Very low | 132 Ų | 132 | 155.1 Ų | 155.1 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 130.6 | 162 | 15.4 | -0.8 | 0 | 0 | 0 | 110 | ||
| 259 | S | 29.1 | Very low | 29.2 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 149.4 | 174.4 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 260 | A | 33 | Very low | 28.9 | Very low | 97 Ų | 97 | 152.8 Ų | 152.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63 | 134.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 261 | S | 29.4 | Very low | 28.7 | Very low | 104 Ų | 104 | 157.4 Ų | 157.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -159.3 | 124.5 | 152.4 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 262 | V | 27.4 | Very low | 28.5 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 65.4 | 113.3 | 140.1 | -176 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 263 | Y | 26.3 | Very low | 28.5 | Very low | 237 Ų | 237 | 146.5 Ų | 146.5 | 93% | 0.929 | 79% | 0.786 | S | S | * | * | trans | -136.4 | 117.2 | 139.1 | -108.6 | -84.9 | 0 | 0 | 0 | 110.9 | ||||
| 264 | K | 25.2 | Very low | 28.5 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -103.3 | 135.1 | 156.9 | -119 | -174.2 | -179.3 | 179.6 | 0 | 106.4 | ||||
| 265 | S | 28.6 | Very low | 28.7 | Very low | 83 Ų | 83 | 149.3 Ų | 149.3 | 58% | 0.58 | 79% | 0.791 | S | S | * | * | trans | 60.5 | 134.7 | 143.9 | -19.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 266 | D | 26.9 | Very low | 28.8 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 94.8 | 104.3 | 133.1 | -62 | -27.2 | 0 | 0 | 0 | 121.3 | ||||
| 267 | T | 27.8 | Very low | 29.2 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 90.8 | 116 | 114.7 | -52 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 268 | S | 28.2 | Very low | 29.5 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | 76 | 130 | 137.7 | 71.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 269 | T | 29 | Very low | 29.6 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 71.3 | 102.2 | 139.2 | 56.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 270 | Q | 26.7 | Very low | 29.7 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | 168.9 | 124.8 | 100.9 | -89.3 | 174.6 | 11.8 | 0 | 0 | 107.3 | |||||
| 271 | F | 29.6 | Very low | 29.8 | Very low | 205 Ų | 205 | 149.2 Ų | 149.2 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | -177.9 | 113 | 124 | -96.8 | -70.2 | 0 | 0 | 0 | 107.7 | |||||
| 272 | A | 28.9 | Very low | 29.9 | Very low | 88 Ų | 88 | 153.3 Ų | 153.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -72 | 167.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 273 | S | 30.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 154.3 Ų | 154.3 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 91.6 | 91.9 | 162 | -48.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 274 | R | 29.9 | Very low | 30.7 | Very low | 250 Ų | 250 | 148.6 Ų | 148.6 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | -164.1 | 129.9 | 126.4 | -106.8 | 167.7 | -178.8 | 179.6 | 0.1 | 110.7 | |||||
| 275 | D | 31.2 | Very low | 31 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 149.9 | 179.4 | -63.7 | -67.6 | 0 | 0 | 0 | 113.5 | ||
| 276 | P | 34.9 | Very low | 31.3 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 138.8 | 169.7 | 30.4 | -30.9 | 0 | 0 | 0 | 110.3 | R278 | P276-R278 PolarHBondContact O-N 2.83Š|
| 277 | P | 35 | Very low | 31.8 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 131.7 | 171.2 | 28 | -30 | 0 | 0 | 0 | 110.4 | ||
| 278 | R | 29.6 | Very low | 31.8 | Very low | 214 Ų | 214 | 148.4 Ų | 148.4 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 122.5 | 167.7 | -176.3 | -179.5 | -173.6 | 131.9 | 0.5 | 110.3 | P276 D280 | P276-R278 PolarHBondContact O-N 2.83Å; R278-D280 IonicContact NE-OD1 3.72Å; R278-D280 PolarHBondContact O-N 3.03Å |
| 279 | Y | 33.9 | Very low | 32 | Very low | 230 Ų | 230 | 153.4 Ų | 153.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -80.2 | 107 | 165.2 | -88.3 | -86.5 | 0 | 0 | 0 | 108.3 | ||||
| 280 | D | 30.6 | Very low | 32 | Very low | 121 Ų | 121 | 155.7 Ų | 155.7 | 65% | 0.647 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 140 | 167.3 | -80 | -37.5 | 0 | 0 | 0 | 110.4 | R278 | R278-D280 IonicContact NE-OD1 3.72Å; R278-D280 PolarHBondContact O-N 3.03Å | ||
| 281 | Q | 36.6 | Very low | 32.1 | Very low | 174 Ų | 174 | 157.1 Ų | 157.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -58.7 | 120.8 | 177.2 | -175.4 | 167.8 | 6.4 | 0 | 0 | 111.6 | ||||
| 282 | F | 31.2 | Very low | 32 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | -142.5 | 100.9 | 162.6 | -101.2 | -87.4 | 0 | 0 | 0 | 108.8 | ||||
| 283 | D | 36.6 | Very low | 32 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -70.5 | 139 | 152.3 | -79.7 | -49.9 | 0 | 0 | 0 | 108.5 | ||||
| 284 | P | 34.5 | Very low | 31.9 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -128.6 | 139.7 | 134.9 | 20 | -1.6 | 0 | 0 | 0 | 111.9 | ||||
| 285 | E | 30.1 | Very low | 31.9 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 154.1 | 176.3 | -75 | 170.3 | 120.4 | 0 | 0 | 114.9 | ||
| 286 | P | 35 | Very low | 31.8 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 136.6 | 170.6 | 29.8 | -32.9 | 0 | 0 | 0 | 111 | ||
| 287 | P | 37.3 | Very low | 31.5 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 62% | 0.617 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 131.1 | 171.2 | 29.8 | -31.6 | 0 | 0 | 0 | 110.7 | Y289 | P287-Y289 HydrophobicContact CB-CD1 4.3Å; P287-Y289 HydrophobicContact CB-CE1 3.71Å; P287-Y289 HydrophobicContact CG-CE1 3.74Å |
| 288 | S | 29.1 | Very low | 31.2 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73 | 134.3 | 168.3 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 289 | Y | 31.3 | Very low | 31 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -154.9 | 121.3 | 157.5 | 21.7 | -99.1 | 0 | 0 | 0 | 114 | P287 | P287-Y289 HydrophobicContact CB-CD1 4.3Å; P287-Y289 HydrophobicContact CB-CE1 3.71Å; P287-Y289 HydrophobicContact CG-CE1 3.74Å | ||
| 290 | D | 28.3 | Very low | 30.9 | Very low | 168 Ų | 168 | 130 Ų | 130 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | 10.4 | 136.2 | 145.6 | -108.2 | -31.3 | 0 | 0 | 0 | 122.7 | ||||
| 291 | E | 30.5 | Very low | 30.8 | Very low | 195 Ų | 195 | 129 Ų | 129 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -67.4 | 129.9 | 162.7 | -101.7 | 171.4 | 122.5 | 0 | 0 | 111.2 | ||||
| 292 | G | 27 | Very low | 31 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -163.5 | 87.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 293 | S | 28.1 | Very low | 31.8 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | 32.2 | 116.7 | 136.9 | -44.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 294 | S | 29.6 | Very low | 33.1 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -13.6 | 138.1 | 154 | 56.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 295 | S | 29.3 | Very low | 35.5 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | -160.1 | 135.2 | 128.9 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 296 | A | 29.9 | Very low | 38.4 | Very low | 105 Ų | 105 | 111.1 Ų | 111.1 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -79.9 | 143 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 297 | S | 28.6 | Very low | 41 | Very low | 123 Ų | 123 | 105.4 Ų | 105.4 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -150.1 | 124.3 | 153.6 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 298 | G | 28.2 | Very low | 43.7 | Very low | 87 Ų | 87 | 102.9 Ų | 102.9 | 90% | 0.897 | 71% | 0.713 | S | S | * | * | trans | -92.6 | 160.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 299 | G | 26 | Very low | 46.6 | Very low | 82 Ų | 82 | 97.5 Ų | 97.5 | 85% | 0.845 | 68% | 0.676 | S | S | * | * | trans | 144.5 | 114.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 300 | G | 30.4 | Very low | 49.3 | Very low | 88 Ų | 88 | 91 Ų | 91 | 91% | 0.907 | 66% | 0.657 | S | S | * | * | trans | -75 | 155.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 301 | A | 29.8 | Very low | 51.8 | Low | 99 Ų | 99 | 87.9 Ų | 87.9 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | trans | -153.5 | 119.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | G303 | A301-G303 PolarHBondContact O-N 2.9Š| ||
| 302 | T | 40.9 | Very low | 54.4 | Low | 158 Ų | 158 | 82.4 Ų | 82.4 | 97% | 0.969 | 62% | 0.618 | S | S | * | * | trans | -70.6 | 79.4 | 173.7 | 40.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 303 | G | 47.3 | Very low | 57 | Low | 63 Ų | 63 | 80.3 Ų | 80.3 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | trans | -91.5 | 122 | 158 | 0 | 0 | 0 | 0 | 0 | 108.5 | A301 M305 | A301-G303 PolarHBondContact O-N 2.9Å; G303-M305 PolarHBondContact O-N 3.21Å | ||
| 304 | S | 65.1 | Low | 59.8 | Low | 93 Ų | 93 | 79.2 Ų | 79.2 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | trans | -61 | 101.2 | 167.4 | 50.7 | 0 | 0 | 0 | 0 | 108.1 | V306 | S304-V306 PolarHBondContact O-N 2.79Š| ||
| 305 | M | 83.1 | Confident | 61.9 | Low | 66 Ų | 66 | 74.7 Ų | 74.7 | 33% | 0.325 | 55% | 0.549 | S | S | . | . | trans | -68.6 | 119.9 | 178.6 | 177.5 | 176.9 | -77.1 | 0 | 0 | 108.3 | G303 V307 V331 K334 | G303-M305 PolarHBondContact O-N 3.21Å; M305-V307 HydrophobicContact CG-CG1 4.2Å; M305-V331 HydrophobicContact CB-CB 4.25Å; M305-V331 HydrophobicContact CG-CG2 4.32Å; M305-V331 WeakPolarHBondContact O-CB 3.22Å; M305-V331 WeakPolarHBondContact O-CG2 3.23Å; M305-V331 PolarHBondContact O-N 3.08Å; M305-K334 HydrophobicContact CE-CD 4.37Å; M305-K334 HydrophobicContact SD-CD 3.78Å | ||
| 306 | V | 90.8 | Very high | 63.3 | Low | 52 Ų | 52 | 76.2 Ų | 76.2 | 32% | 0.315 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.8 | 175 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | S304 R328 I329 | S304-V306 PolarHBondContact O-N 2.79Å; V306-R328 HydrophobicContact CG1-CB 3.98Å; V306-R328 HydrophobicContact CG1-CG 4.39Å; V306-I329 WeakPolarHBondContact CA-O 3.39Å |
| 307 | V | 91.5 | Very high | 64.8 | Low | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 155.2 | 178 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | M305 R328 I329 V331 W342 F354 V359 T360 | M305-V307 HydrophobicContact CG-CG1 4.2Å; V307-R328 WeakPolarHBondContact O-CA 3.29Å; V307-I329 HydrophobicContact CG2-CB 3.82Å; V307-I329 WeakPolarHBondContact CG2-O 3.09Å; V307-I329 PolarHBondContact N-O 3.12Å; V307-I329 PolarHBondContact O-N 3.15Å; V307-V331 HydrophobicContact CB-CG2 4.31Å; V307-V331 HydrophobicContact CG1-CG2 3.61Å; V307-V331 HydrophobicContact CG2-CG2 3.79Å; V307-W342 HydrophobicContact CG1-CZ3 3.95Å; V307-F354 HydrophobicContact CG2-CE2 4.35Å; V307-F354 HydrophobicContact CG2-CZ 4.15Å; V307-V359 HydrophobicContact CB-CB 3.89Å; V307-V359 HydrophobicContact CB-CG2 4Å; V307-V359 HydrophobicContact CG1-CG2 4.31Å; V307-V359 HydrophobicContact CG2-CB 3.77Å; V307-V359 HydrophobicContact CG2-CG1 3.94Å; V307-V359 HydrophobicContact CG2-CG2 3.84Å; V307-T360 CarbonylContact C-O 3.59Å; V307-T360 VanDerWaalsContact CA-O 3.32Å; V307-T360 WeakPolarHBondContact CA-O 3.22Å |
| 308 | T | 93.1 | Very high | 66.2 | Low | 41 Ų | 41 | 78 Ų | 78 | 25% | 0.252 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.7 | 176.9 | -51.7 | 0 | 0 | 0 | 0 | 109.4 | T310 D327 V359 T360 | T308-T310 PolarHBondContact O-N 2.89Å; T308-D327 WeakPolarHBondContact CA-O 3.32Å; T308-V359 CarbonylContact O-C 3.54Å; T308-V359 VanDerWaalsContact O-CA 3.25Å; T308-V359 WeakPolarHBondContact O-CA 3.35Å; T308-T360 PolarHBondContact N-O 3.28Å; T308-T360 PolarHBondContact O-N 2.79Å |
| 309 | A | 90.6 | Very high | 68.1 | Low | 3 Ų | 3 | 76.1 Ų | 76.1 | 3% | 0.025 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 125.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F323 V324 P325 G326 D327 F358 | A309-F323 HydrophobicContact CB-CD2 3.39Å; A309-F323 HydrophobicContact CB-CE2 3.65Å; A309-F323 HydrophobicContact CB-CG 4.27Å; A309-V324 WeakPolarHBondContact CB-O 3.35Å; A309-P325 CarbonylContact O-C 3.55Å; A309-P325 WeakPolarHBondContact O-CA 2.99Å; A309-G326 PolarHBondContact O-N 3.21Å; A309-D327 HydrophobicContact CB-CB 4.39Å; A309-D327 PolarHBondContact N-O 2.84Å; A309-F358 CarbonylContact C-O 3.56Å; A309-F358 WeakPolarHBondContact CA-O 3.33Å |
| 310 | T | 86.6 | Confident | 70.6 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 37% | 0.368 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -94.8 | -24.3 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | T308 F358 T360 | T308-T310 PolarHBondContact O-N 2.89Å; T310-F358 PolarHBondContact N-O 2.65Å; T310-F358 PolarHBondContact OG1-O 3.01Å; T310-T360 HydrophobicContact CG2-CG2 3.64Å |
| 311 | H | 81.3 | Confident | 73.3 | Confident | 101 Ų | 101 | 68.8 Ų | 68.8 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -133.1 | 150.6 | -176.7 | -62.6 | -36.6 | 0 | 0 | 0 | 111.4 | F323 F358 | H311-F323 WeakPolarHBondContact O-CE2 3.32Å; H311-F358 HydrophobicContact CB-CD1 3.57Å; H311-F358 HydrophobicContact CB-CE1 4.07Å; H311-F358 HydrophobicContact CB-CG 4.24Å |
| 312 | P | 85.5 | Confident | 76.1 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | trans | -69.6 | 136.7 | 175.3 | 28.5 | -31.9 | 0 | 0 | 0 | 110 | P325 F358 | P312-P325 HydrophobicContact CB-CG 4.41Å; P312-F358 WeakPolarHBondContact O-CE1 3.37Å | ||
| 313 | F | 81.1 | Confident | 78.5 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 118.1 | 172 | 178.9 | -114.8 | 0 | 0 | 0 | 109.7 | D320 L321 S322 F323 W341 F354 P355 F358 | F313-D320 HydrophobicContact CE1-CB 4.1Å; F313-D320 HydrophobicContact CZ-CB 4.35Å; F313-L321 VanDerWaalsContact CD1-O 3.22Å; F313-L321 WeakPolarHBondContact CD1-O 3.38Å; F313-S322 CarbonylContact O-C 3.59Å; F313-S322 WeakPolarHBondContact O-CA 3.4Å; F313-F323 HydrophobicContact CB-CD2 4.1Å; F313-F323 HydrophobicContact CB-CE1 4.08Å; F313-F323 HydrophobicContact CB-CE2 3.61Å; F313-F323 HydrophobicContact CB-CZ 3.6Å; F313-F323 AromaticContact CD1-CE1 3.99Å; F313-F323 HydrophobicContact CD1-CE1 3.99Å; F313-F323 HydrophobicContact CD1-CZ 4.21Å; F313-F323 HydrophobicContact CG-CE1 4.47Å; F313-F323 HydrophobicContact CG-CZ 4.26Å; F313-F323 PolarHBondContact N-O 3.22Å; F313-F323 PolarHBondContact O-N 3.17Å; F313-W341 HydrophobicContact CE1-CH2 4.39Å; F313-W341 HydrophobicContact CE1-CZ3 4.11Å; F313-W341 HydrophobicContact CE2-CH2 4.1Å; F313-W341 AromaticContact CZ-CH2 3.53Å; F313-W341 HydrophobicContact CZ-CH2 3.53Å; F313-W341 AromaticContact CZ-CZ3 3.69Å; F313-W341 HydrophobicContact CZ-CZ3 3.69Å; F313-F354 HydrophobicContact CD1-CB 4.19Å; F313-F354 HydrophobicContact CE1-CB 4.3Å; F313-P355 HydrophobicContact CD2-CG 4.01Å; F313-P355 HydrophobicContact CE2-CG 4.11Å; F313-P355 HydrophobicContact CG-CG 4.33Å; F313-F358 HydrophobicContact CB-CD1 3.95Å; F313-F358 HydrophobicContact CB-CE1 4.39Å; F313-F358 HydrophobicContact CD2-CE1 4.44Å |
| 314 | T | 86.7 | Confident | 80.5 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 60% | 0.601 | 36% | 0.355 | S | S | * | . | trans | -101.3 | 116.7 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 108.3 | Q316 | T314-Q316 PolarHBondContact O-N 2.63Å; T314-Q316 PolarHBondContact O-NE2 3.33Å | ||
| 315 | G | 75 | Confident | 81.7 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | trans | -58.1 | 124.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D320 S322 | G315-D320 WeakPolarHBondContact CA-OD2 3.23Å; G315-S322 WeakPolarHBondContact CA-OG 3.34Å; G315-S322 PolarHBondContact N-OG 3.32Å | ||
| 316 | Q | 57.8 | Low | 81.8 | Confident | 155 Ų | 155 | 57.8 Ų | 57.8 | 72% | 0.724 | 36% | 0.355 | S | S | * | . | trans | -94.4 | -17.1 | 179.9 | -60.1 | -59.3 | -62.4 | 0 | 0 | 111 | T314 D320 | T314-Q316 PolarHBondContact O-N 2.63Å; T314-Q316 PolarHBondContact O-NE2 3.33Å; Q316-D320 PolarHBondContact N-OD2 3.11Å | ||
| 317 | Q | 62.5 | Low | 81.7 | Confident | 119 Ų | 119 | 57.8 Ų | 57.8 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -128.9 | 153.5 | -174.6 | -56 | -173.5 | -0.6 | 0 | 0 | 112.5 | G319 D320 | Q317-G319 PolarHBondContact O-N 3.06Å; Q317-G319 VanDerWaalsContact O-N 3.13Å; Q317-D320 PolarHBondContact N-OD2 3.22Å; Q317-D320 WeakPolarHBondContact O-CB 3.34Å; Q317-D320 PolarHBondContact O-N 2.74Å; Q317-D320 VanDerWaalsContact O-N 3.09Å |
| 318 | P | 56.1 | Low | 81.8 | Confident | 145 Ų | 145 | 64.7 Ų | 64.7 | 94% | 0.942 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 114.7 | 169.3 | -19.6 | 32.1 | 0 | 0 | 0 | 110.5 | ||
| 319 | G | 68.7 | Low | 81.7 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 117.4 | -14.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q317 G352 I353 | Q317-G319 PolarHBondContact O-N 3.06Å; Q317-G319 VanDerWaalsContact O-N 3.13Å; G319-G352 CarbonylContact O-C 3.58Å; G319-G352 WeakPolarHBondContact O-CA 3.35Å; G319-I353 PolarHBondContact O-N 3.4Å |
| 320 | D | 79.8 | Confident | 81.9 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 8% | 0.075 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 135.7 | 175.4 | -67.4 | -3.6 | 0 | 0 | 0 | 111.4 | F313 G315 Q316 Q317 S322 I353 | F313-D320 HydrophobicContact CE1-CB 4.1Å; F313-D320 HydrophobicContact CZ-CB 4.35Å; G315-D320 WeakPolarHBondContact CA-OD2 3.23Å; Q316-D320 PolarHBondContact N-OD2 3.11Å; Q317-D320 PolarHBondContact N-OD2 3.22Å; Q317-D320 WeakPolarHBondContact O-CB 3.34Å; Q317-D320 PolarHBondContact O-N 2.74Å; Q317-D320 VanDerWaalsContact O-N 3.09Å; D320-S322 PolarHBondContact O-N 3.11Å; D320-I353 WeakPolarHBondContact CA-O 3.33Å |
| 321 | L | 85.9 | Confident | 82 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | trans | -88.5 | 102 | 174.1 | -171 | 65.8 | 0 | 0 | 0 | 109.6 | F313 F323 I329 G344 L346 R350 I353 F354 | F313-L321 VanDerWaalsContact CD1-O 3.22Å; F313-L321 WeakPolarHBondContact CD1-O 3.38Å; L321-F323 HydrophobicContact CG-CD1 4.41Å; L321-F323 WeakPolarHBondContact O-CD1 3.48Å; L321-F323 WeakPolarHBondContact O-CE1 3.45Å; L321-I329 HydrophobicContact CD2-CD1 4.47Å; L321-I329 HydrophobicContact CD2-CG2 3.8Å; L321-G344 WeakPolarHBondContact CD2-O 3.48Å; L321-L346 HydrophobicContact CD1-CD1 3.75Å; L321-L346 HydrophobicContact CD1-CG 3.92Å; L321-L346 HydrophobicContact CD2-CG 4.14Å; L321-L346 HydrophobicContact CG-CD1 4.13Å; L321-L346 HydrophobicContact CG-CG 4.15Å; L321-R350 HydrophobicContact CD1-CB 4.06Å; L321-R350 WeakPolarHBondContact CD1-O 3.29Å; L321-I353 PolarHBondContact N-O 3.44Å; L321-F354 HydrophobicContact CB-CB 4.47Å; L321-F354 HydrophobicContact CB-CD1 4.33Å; L321-F354 HydrophobicContact CD2-CD1 3.83Å; L321-F354 HydrophobicContact CD2-CE1 4.21Å | ||
| 322 | S | 88.3 | Confident | 82 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 24% | 0.238 | 36% | 0.364 | C | S | . | . | trans | -79.2 | 135.9 | 175.3 | -41.8 | 0 | 0 | 0 | 0 | 111.4 | F313 G315 D320 | F313-S322 CarbonylContact O-C 3.59Å; F313-S322 WeakPolarHBondContact O-CA 3.4Å; G315-S322 WeakPolarHBondContact CA-OG 3.34Å; G315-S322 PolarHBondContact N-OG 3.32Å; D320-S322 PolarHBondContact O-N 3.11Å | ||
| 323 | F | 91.3 | Very high | 81.5 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.035 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -151.3 | 165.1 | 179.3 | 51.7 | -103.3 | 0 | 0 | 0 | 112.1 | A309 H311 F313 L321 D327 I329 L346 F354 F358 V359 | A309-F323 HydrophobicContact CB-CD2 3.39Å; A309-F323 HydrophobicContact CB-CE2 3.65Å; A309-F323 HydrophobicContact CB-CG 4.27Å; H311-F323 WeakPolarHBondContact O-CE2 3.32Å; F313-F323 HydrophobicContact CB-CD2 4.1Å; F313-F323 HydrophobicContact CB-CE1 4.08Å; F313-F323 HydrophobicContact CB-CE2 3.61Å; F313-F323 HydrophobicContact CB-CZ 3.6Å; F313-F323 AromaticContact CD1-CE1 3.99Å; F313-F323 HydrophobicContact CD1-CE1 3.99Å; F313-F323 HydrophobicContact CD1-CZ 4.21Å; F313-F323 HydrophobicContact CG-CE1 4.47Å; F313-F323 HydrophobicContact CG-CZ 4.26Å; F313-F323 PolarHBondContact N-O 3.22Å; F313-F323 PolarHBondContact O-N 3.17Å; L321-F323 HydrophobicContact CG-CD1 4.41Å; L321-F323 WeakPolarHBondContact O-CD1 3.48Å; L321-F323 WeakPolarHBondContact O-CE1 3.45Å; F323-D327 WeakPolarHBondContact CA-OD2 3.15Å; F323-D327 HydrophobicContact CB-CB 3.98Å; F323-D327 VanDerWaalsContact CB-OD2 3.24Å; F323-D327 WeakPolarHBondContact CB-OD2 3.17Å; F323-I329 HydrophobicContact CB-CD1 4.48Å; F323-I329 HydrophobicContact CD1-CD1 3.46Å; F323-I329 VanDerWaalsContact CD1-CD1 3.46Å; F323-I329 HydrophobicContact CD2-CD1 4.37Å; F323-I329 HydrophobicContact CE1-CD1 3.55Å; F323-I329 HydrophobicContact CE2-CD1 4.47Å; F323-I329 HydrophobicContact CG-CD1 3.88Å; F323-I329 HydrophobicContact CZ-CD1 4.08Å; F323-L346 HydrophobicContact CB-CD2 4.31Å; F323-F354 HydrophobicContact CD1-CB 4.44Å; F323-F354 HydrophobicContact CE1-CB 3.37Å; F323-F354 HydrophobicContact CE1-CD1 4.38Å; F323-F354 AromaticContact CE1-CD2 3.86Å; F323-F354 HydrophobicContact CE1-CD2 3.86Å; F323-F354 AromaticContact CE1-CG 3.62Å; F323-F354 HydrophobicContact CE1-CG 3.62Å; F323-F354 HydrophobicContact CZ-CB 3.96Å; F323-F354 HydrophobicContact CZ-CD2 4.01Å; F323-F354 HydrophobicContact CZ-CG 4.19Å; F323-F358 HydrophobicContact CE2-CB 4.04Å; F323-F358 HydrophobicContact CZ-CB 3.98Å; F323-V359 HydrophobicContact CZ-CG1 4.21Å |
| 324 | V | 90.1 | Very high | 81.3 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | trans | -111.8 | 160 | 174.9 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | A309 G326 D327 | A309-V324 WeakPolarHBondContact CB-O 3.35Å; V324-G326 PolarHBondContact O-N 2.86Å; V324-D327 PolarHBondContact N-OD2 3.21Å; V324-D327 WeakPolarHBondContact O-CB 3.37Å; V324-D327 PolarHBondContact O-N 3.19Å; V324-D327 VanDerWaalsContact O-N 3.12Å | ||
| 325 | P | 90.4 | Very high | 80.2 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 133.3 | 175.7 | -24.7 | 34.3 | 0 | 0 | 0 | 111.4 | A309 P312 | A309-P325 CarbonylContact O-C 3.55Å; A309-P325 WeakPolarHBondContact O-CA 2.99Å; P312-P325 HydrophobicContact CB-CG 4.41Å |
| 326 | G | 83.9 | Confident | 79.9 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 52% | 0.515 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -12.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A309 V324 | A309-G326 PolarHBondContact O-N 3.21Å; V324-G326 PolarHBondContact O-N 2.86Å |
| 327 | D | 90 | Very high | 79.8 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | trans | -62.7 | 137.5 | 174.2 | -77.8 | -16.5 | 0 | 0 | 0 | 110.8 | T308 A309 F323 V324 L346 | T308-D327 WeakPolarHBondContact CA-O 3.32Å; A309-D327 HydrophobicContact CB-CB 4.39Å; A309-D327 PolarHBondContact N-O 2.84Å; F323-D327 WeakPolarHBondContact CA-OD2 3.15Å; F323-D327 HydrophobicContact CB-CB 3.98Å; F323-D327 VanDerWaalsContact CB-OD2 3.24Å; F323-D327 WeakPolarHBondContact CB-OD2 3.17Å; V324-D327 PolarHBondContact N-OD2 3.21Å; V324-D327 WeakPolarHBondContact O-CB 3.37Å; V324-D327 PolarHBondContact O-N 3.19Å; V324-D327 VanDerWaalsContact O-N 3.12Å; D327-L346 HydrophobicContact CB-CD2 3.9Å | ||
| 328 | R | 92.3 | Very high | 79.5 | Confident | 145 Ų | 145 | 62.4 Ų | 62.4 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.9 | 173.7 | -70.1 | -174.7 | 178.5 | -83 | -2.2 | 109.5 | V306 V307 | V306-R328 HydrophobicContact CG1-CB 3.98Å; V306-R328 HydrophobicContact CG1-CG 4.39Å; V307-R328 WeakPolarHBondContact O-CA 3.29Å |
| 329 | I | 93 | Very high | 79.3 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.1 | -177.9 | -51.9 | 168.9 | 0 | 0 | 0 | 107.9 | V306 V307 L321 F323 V331 L346 F354 V359 | V306-I329 WeakPolarHBondContact CA-O 3.39Å; V307-I329 HydrophobicContact CG2-CB 3.82Å; V307-I329 WeakPolarHBondContact CG2-O 3.09Å; V307-I329 PolarHBondContact N-O 3.12Å; V307-I329 PolarHBondContact O-N 3.15Å; L321-I329 HydrophobicContact CD2-CD1 4.47Å; L321-I329 HydrophobicContact CD2-CG2 3.8Å; F323-I329 HydrophobicContact CB-CD1 4.48Å; F323-I329 HydrophobicContact CD1-CD1 3.46Å; F323-I329 VanDerWaalsContact CD1-CD1 3.46Å; F323-I329 HydrophobicContact CD2-CD1 4.37Å; F323-I329 HydrophobicContact CE1-CD1 3.55Å; F323-I329 HydrophobicContact CE2-CD1 4.47Å; F323-I329 HydrophobicContact CG-CD1 3.88Å; F323-I329 HydrophobicContact CZ-CD1 4.08Å; I329-V331 PolarHBondContact O-N 3.26Å; I329-L346 HydrophobicContact CG1-CD2 3.78Å; I329-F354 HydrophobicContact CB-CZ 4.37Å; I329-F354 HydrophobicContact CD1-CD2 4.43Å; I329-F354 HydrophobicContact CD1-CE1 4.38Å; I329-F354 HydrophobicContact CD1-CE2 4.27Å; I329-F354 HydrophobicContact CD1-CZ 4.24Å; I329-F354 HydrophobicContact CG2-CD1 4.34Å; I329-F354 HydrophobicContact CG2-CE1 3.51Å; I329-F354 HydrophobicContact CG2-CZ 3.74Å; I329-V359 HydrophobicContact CD1-CG1 3.99Å |
| 330 | T | 93.8 | Very high | 79.5 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 113.5 | 171.8 | -58.3 | 0 | 0 | 0 | 0 | 108.2 | I332 G344 Q345 | T330-I332 PolarHBondContact O-N 2.96Å; T330-G344 CarbonylContact O-C 3.58Å; T330-G344 WeakPolarHBondContact O-CA 3.47Å; T330-Q345 PolarHBondContact N-O 3.11Å; T330-Q345 PolarHBondContact O-N 3.38Å |
| 331 | V | 87.9 | Confident | 79.6 | Confident | 16 Ų | 16 | 69 Ų | 69 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 118.9 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | M305 V307 I329 K334 W342 | M305-V331 HydrophobicContact CB-CB 4.25Å; M305-V331 HydrophobicContact CG-CG2 4.32Å; M305-V331 WeakPolarHBondContact O-CB 3.22Å; M305-V331 WeakPolarHBondContact O-CG2 3.23Å; M305-V331 PolarHBondContact O-N 3.08Å; V307-V331 HydrophobicContact CB-CG2 4.31Å; V307-V331 HydrophobicContact CG1-CG2 3.61Å; V307-V331 HydrophobicContact CG2-CG2 3.79Å; I329-V331 PolarHBondContact O-N 3.26Å; V331-K334 HydrophobicContact CG1-CB 3.75Å; V331-K334 HydrophobicContact CG1-CD 4.46Å; V331-K334 HydrophobicContact CG1-CG 4.3Å; V331-W342 HydrophobicContact CG2-CE3 4.16Å |
| 332 | I | 81.6 | Confident | 79.5 | Confident | 84 Ų | 84 | 69.8 Ų | 69.8 | 43% | 0.431 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -45.5 | 176.6 | -65.4 | 168.8 | 0 | 0 | 0 | 109.4 | T330 E343 Q345 V351 | T330-I332 PolarHBondContact O-N 2.96Å; I332-E343 HydrophobicContact CB-CG 4.49Å; I332-E343 PolarHBondContact N-O 3.36Å; I332-Q345 HydrophobicContact CD1-CB 3.9Å; I332-Q345 HydrophobicContact CG1-CB 4.48Å; I332-V351 HydrophobicContact CD1-CG1 3.79Å; I332-V351 HydrophobicContact CD1-CG2 4.14Å |
| 333 | T | 76 | Confident | 79.4 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 130.8 | 178.3 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | E343 | T333-E343 PolarHBondContact N-O 3.44Å; T333-E343 VanDerWaalsContact N-O 3.1Å; T333-E343 PolarHBondContact O-N 3.13Å |
| 334 | K | 76.3 | Confident | 79.2 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 37% | 0.365 | 37% | 0.367 | S | S | . | . | trans | -131.4 | 156.9 | 175.9 | 68.4 | 176.4 | -161.6 | 74.1 | 0 | 110.9 | M305 V331 D336 W342 | M305-K334 HydrophobicContact CE-CD 4.37Å; M305-K334 HydrophobicContact SD-CD 3.78Å; V331-K334 HydrophobicContact CG1-CB 3.75Å; V331-K334 HydrophobicContact CG1-CD 4.46Å; V331-K334 HydrophobicContact CG1-CG 4.3Å; K334-D336 IonicContact NZ-OD1 2.72Å; K334-D336 PolarHBondContact NZ-OD1 3.09Å; K334-D336 VanDerWaalsContact NZ-OD1 3.17Å; K334-W342 HydrophobicContact CB-CD2 3.75Å; K334-W342 HydrophobicContact CB-CE3 4.41Å; K334-W342 HydrophobicContact CB-CG 3.81Å; K334-W342 HydrophobicContact CB-CZ2 4.34Å | ||
| 335 | T | 64.6 | Low | 79.3 | Confident | 27 Ų | 27 | 71 Ų | 71 | 17% | 0.166 | 36% | 0.359 | C | S | . | . | trans | -98.8 | 174 | 161.1 | 64.2 | 0 | 0 | 0 | 0 | 109.6 | S337 D340 W342 | T335-S337 PolarHBondContact O-N 3.2Å; T335-D340 WeakPolarHBondContact CB-OD2 3.24Å; T335-D340 WeakPolarHBondContact CG2-OD2 3.3Å; T335-D340 WeakPolarHBondContact OG1-CB 3.33Å; T335-D340 PolarHBondContact OG1-OD2 3.5Å; T335-W342 PolarHBondContact O-NE1 3.03Å | ||
| 336 | D | 68 | Low | 79.3 | Confident | 158 Ų | 158 | 68.1 Ų | 68.1 | 85% | 0.845 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -84.4 | 4.9 | 177.4 | -63.8 | -33.8 | 0 | 0 | 0 | 112.8 | K334 | K334-D336 IonicContact NZ-OD1 2.72Å; K334-D336 PolarHBondContact NZ-OD1 3.09Å; K334-D336 VanDerWaalsContact NZ-OD1 3.17Å |
| 337 | S | 54.8 | Low | 79.3 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | trans | -103.7 | 130.7 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | T335 Y339 W342 | T335-S337 PolarHBondContact O-N 3.2Å; S337-Y339 PolarHBondContact O-N 3.23Å; S337-Y339 PolarHBondContact OG-N 3.29Å; S337-W342 PolarHBondContact O-NE1 2.89Å | ||
| 338 | Q | 57.4 | Low | 78.8 | Confident | 118 Ų | 118 | 74.6 Ų | 74.6 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -7.2 | 172.3 | 67.3 | -173.4 | 25.6 | 0 | 0 | 113.8 | N357 | Q338-N357 WeakPolarHBondContact O-CB 3.28Å; Q338-N357 PolarHBondContact O-N 3Å; Q338-N357 VanDerWaalsContact O-N 3.12Å |
| 339 | Y | 52.1 | Low | 78.3 | Confident | 184 Ų | 184 | 69.6 Ų | 69.6 | 72% | 0.722 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 4.7 | 179 | -57.8 | -72.3 | 0 | 0 | 0 | 113.1 | S337 | S337-Y339 PolarHBondContact O-N 3.23Å; S337-Y339 PolarHBondContact OG-N 3.29Å |
| 340 | D | 72.9 | Confident | 77.7 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -106.7 | 173.5 | -172.2 | -155.3 | -0.7 | 0 | 0 | 0 | 111.6 | T335 A356 | T335-D340 WeakPolarHBondContact CB-OD2 3.24Å; T335-D340 WeakPolarHBondContact CG2-OD2 3.3Å; T335-D340 WeakPolarHBondContact OG1-CB 3.33Å; T335-D340 PolarHBondContact OG1-OD2 3.5Å; D340-A356 VanDerWaalsContact O-CB 3.22Å; D340-A356 WeakPolarHBondContact O-CB 3.08Å; D340-A356 PolarHBondContact O-N 3.43Å |
| 341 | W | 80.8 | Confident | 77.2 | Confident | 112 Ų | 112 | 77 Ų | 77 | 42% | 0.424 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.6 | 177.7 | -71.6 | 69.2 | 0 | 0 | 0 | 110.6 | F313 I353 F354 | F313-W341 HydrophobicContact CE1-CH2 4.39Å; F313-W341 HydrophobicContact CE1-CZ3 4.11Å; F313-W341 HydrophobicContact CE2-CH2 4.1Å; F313-W341 AromaticContact CZ-CH2 3.53Å; F313-W341 HydrophobicContact CZ-CH2 3.53Å; F313-W341 AromaticContact CZ-CZ3 3.69Å; F313-W341 HydrophobicContact CZ-CZ3 3.69Å; W341-I353 HydrophobicContact CE3-CB 4.01Å; W341-I353 HydrophobicContact CE3-CD1 3.83Å; W341-I353 HydrophobicContact CE3-CG1 3.79Å; W341-I353 HydrophobicContact CZ3-CD1 4.22Å; W341-I353 HydrophobicContact CZ3-CG1 4.08Å; W341-F354 CarbonylContact C-O 3.57Å; W341-F354 WeakPolarHBondContact CA-O 3.17Å |
| 342 | W | 84.3 | Confident | 76.9 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 6% | 0.064 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 150.7 | 174.3 | -64.8 | -4.5 | 0 | 0 | 0 | 109.9 | V307 V331 K334 T335 S337 I353 F354 A356 V359 | V307-W342 HydrophobicContact CG1-CZ3 3.95Å; V331-W342 HydrophobicContact CG2-CE3 4.16Å; K334-W342 HydrophobicContact CB-CD2 3.75Å; K334-W342 HydrophobicContact CB-CE3 4.41Å; K334-W342 HydrophobicContact CB-CG 3.81Å; K334-W342 HydrophobicContact CB-CZ2 4.34Å; T335-W342 PolarHBondContact O-NE1 3.03Å; S337-W342 PolarHBondContact O-NE1 2.89Å; W342-I353 CarbonylContact O-C 3.6Å; W342-I353 VanDerWaalsContact O-CA 3.24Å; W342-I353 WeakPolarHBondContact O-CA 3.48Å; W342-F354 HydrophobicContact CB-CE1 4.3Å; W342-F354 HydrophobicContact CB-CE2 4.21Å; W342-F354 HydrophobicContact CB-CZ 3.97Å; W342-F354 HydrophobicContact CE3-CE2 4.37Å; W342-F354 HydrophobicContact CE3-CZ 4.47Å; W342-F354 PolarHBondContact N-O 3.04Å; W342-F354 WeakPolarHBondContact O-CD1 3.45Å; W342-F354 PolarHBondContact O-N 3.43Å; W342-A356 HydrophobicContact CD2-CB 3.59Å; W342-A356 HydrophobicContact CE3-CB 4.1Å; W342-A356 HydrophobicContact CG-CB 3.98Å; W342-A356 HydrophobicContact CH2-CB 4.19Å; W342-A356 HydrophobicContact CZ2-CB 3.7Å; W342-A356 HydrophobicContact CZ3-CB 4.36Å; W342-V359 HydrophobicContact CE3-CG2 4.13Å; W342-V359 HydrophobicContact CZ3-CG2 3.92Å |
| 343 | E | 85.9 | Confident | 77.1 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.6 | 170 | -173.2 | 176.1 | -171.6 | 0 | 0 | 108.8 | I332 T333 V351 I353 | I332-E343 HydrophobicContact CB-CG 4.49Å; I332-E343 PolarHBondContact N-O 3.36Å; T333-E343 PolarHBondContact N-O 3.44Å; T333-E343 VanDerWaalsContact N-O 3.1Å; T333-E343 PolarHBondContact O-N 3.13Å; E343-V351 HydrophobicContact CG-CG1 4.09Å; E343-V351 WeakPolarHBondContact OE1-CG1 3.32Å; E343-I353 HydrophobicContact CB-CG2 4.27Å; E343-I353 HydrophobicContact CG-CG2 4.49Å |
| 344 | G | 88.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L321 T330 V351 G352 | L321-G344 WeakPolarHBondContact CD2-O 3.48Å; T330-G344 CarbonylContact O-C 3.58Å; T330-G344 WeakPolarHBondContact O-CA 3.47Å; G344-V351 WeakPolarHBondContact O-CA 3.42Å; G344-G352 PolarHBondContact N-O 3.13Å; G344-G352 PolarHBondContact O-N 2.63Å; G344-G352 VanDerWaalsContact O-N 3.1Å |
| 345 | Q | 92.1 | Very high | 78 | Confident | 74 Ų | 74 | 68.4 Ų | 68.4 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.3 | -176 | -174.6 | 169.7 | 47.1 | 0 | 0 | 110.3 | T330 I332 G349 R350 V351 | T330-Q345 PolarHBondContact N-O 3.11Å; T330-Q345 PolarHBondContact O-N 3.38Å; I332-Q345 HydrophobicContact CD1-CB 3.9Å; I332-Q345 HydrophobicContact CG1-CB 4.48Å; Q345-G349 PolarHBondContact NE2-O 3.49Å; Q345-G349 VanDerWaalsContact NE2-O 3.13Å; Q345-R350 VanDerWaalsContact CA-O 3.32Å; Q345-R350 WeakPolarHBondContact CA-O 3.43Å; Q345-V351 HydrophobicContact CB-CG2 4.02Å; Q345-V351 HydrophobicContact CG-CG2 3.85Å |
| 346 | L | 89 | Confident | 78.8 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 159.5 | 168.9 | -74.7 | 170 | 0 | 0 | 0 | 110.7 | L321 F323 D327 I329 N348 G349 R350 | L321-L346 HydrophobicContact CD1-CD1 3.75Å; L321-L346 HydrophobicContact CD1-CG 3.92Å; L321-L346 HydrophobicContact CD2-CG 4.14Å; L321-L346 HydrophobicContact CG-CD1 4.13Å; L321-L346 HydrophobicContact CG-CG 4.15Å; F323-L346 HydrophobicContact CB-CD2 4.31Å; D327-L346 HydrophobicContact CB-CD2 3.9Å; I329-L346 HydrophobicContact CG1-CD2 3.78Å; L346-N348 VanDerWaalsContact CB-OD1 3.31Å; L346-N348 WeakPolarHBondContact CB-OD1 3.35Å; L346-N348 PolarHBondContact O-N 3.48Å; L346-G349 WeakPolarHBondContact O-CA 3.3Å; L346-G349 PolarHBondContact O-N 3.13Å; L346-R350 PolarHBondContact N-O 2.9Å |
| 347 | D | 83.8 | Confident | 79.6 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.1 | 177.7 | -66.3 | -20.3 | 0 | 0 | 0 | 113.7 | G349 | D347-G349 PolarHBondContact O-N 3.06Š|
| 348 | N | 80.7 | Confident | 81 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 3.6 | 174.4 | 64.8 | 21.5 | 0 | 0 | 0 | 113.9 | L346 R350 | L346-N348 VanDerWaalsContact CB-OD1 3.31Å; L346-N348 WeakPolarHBondContact CB-OD1 3.35Å; L346-N348 PolarHBondContact O-N 3.48Å; N348-R350 VanDerWaalsContact C-N 3.32Å; N348-R350 PolarHBondContact O-N 3Å; N348-R350 VanDerWaalsContact OD1-CB 3.23Å; N348-R350 WeakPolarHBondContact OD1-CB 3.15Å; N348-R350 WeakPolarHBondContact OD1-CG 3.45Å; N348-R350 PolarHBondContact OD1-N 2.86Å |
| 349 | G | 80.6 | Confident | 82.5 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 83.8 | -4.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q345 L346 D347 V351 | Q345-G349 PolarHBondContact NE2-O 3.49Å; Q345-G349 VanDerWaalsContact NE2-O 3.13Å; L346-G349 WeakPolarHBondContact O-CA 3.3Å; L346-G349 PolarHBondContact O-N 3.13Å; D347-G349 PolarHBondContact O-N 3.06Å; G349-V351 PolarHBondContact O-N 3.28Å |
| 350 | R | 80.9 | Confident | 84.2 | Confident | 124 Ų | 124 | 54.3 Ų | 54.3 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | trans | -68.3 | 129 | 176.8 | -70.2 | 176.6 | 62.6 | -158.5 | -2.5 | 110.2 | L321 Q345 L346 N348 | L321-R350 HydrophobicContact CD1-CB 4.06Å; L321-R350 WeakPolarHBondContact CD1-O 3.29Å; Q345-R350 VanDerWaalsContact CA-O 3.32Å; Q345-R350 WeakPolarHBondContact CA-O 3.43Å; L346-R350 PolarHBondContact N-O 2.9Å; N348-R350 VanDerWaalsContact C-N 3.32Å; N348-R350 PolarHBondContact O-N 3Å; N348-R350 VanDerWaalsContact OD1-CB 3.23Å; N348-R350 WeakPolarHBondContact OD1-CB 3.15Å; N348-R350 WeakPolarHBondContact OD1-CG 3.45Å; N348-R350 PolarHBondContact OD1-N 2.86Å | ||
| 351 | V | 84.4 | Confident | 84.5 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 44% | 0.436 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 141.3 | 176 | -178.8 | 0 | 0 | 0 | 0 | 109 | I332 E343 G344 Q345 G349 | I332-V351 HydrophobicContact CD1-CG1 3.79Å; I332-V351 HydrophobicContact CD1-CG2 4.14Å; E343-V351 HydrophobicContact CG-CG1 4.09Å; E343-V351 WeakPolarHBondContact OE1-CG1 3.32Å; G344-V351 WeakPolarHBondContact O-CA 3.42Å; Q345-V351 HydrophobicContact CB-CG2 4.02Å; Q345-V351 HydrophobicContact CG-CG2 3.85Å; G349-V351 PolarHBondContact O-N 3.28Å |
| 352 | G | 81.3 | Confident | 84.7 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | 179.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G319 G344 | G319-G352 CarbonylContact O-C 3.58Å; G319-G352 WeakPolarHBondContact O-CA 3.35Å; G344-G352 PolarHBondContact N-O 3.13Å; G344-G352 PolarHBondContact O-N 2.63Å; G344-G352 VanDerWaalsContact O-N 3.1Å |
| 353 | I | 85.2 | Confident | 84.7 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 148.6 | 179 | 61.1 | 170.2 | 0 | 0 | 0 | 111.5 | G319 D320 L321 W341 W342 E343 | G319-I353 PolarHBondContact O-N 3.4Å; D320-I353 WeakPolarHBondContact CA-O 3.33Å; L321-I353 PolarHBondContact N-O 3.44Å; W341-I353 HydrophobicContact CE3-CB 4.01Å; W341-I353 HydrophobicContact CE3-CD1 3.83Å; W341-I353 HydrophobicContact CE3-CG1 3.79Å; W341-I353 HydrophobicContact CZ3-CD1 4.22Å; W341-I353 HydrophobicContact CZ3-CG1 4.08Å; W342-I353 CarbonylContact O-C 3.6Å; W342-I353 VanDerWaalsContact O-CA 3.24Å; W342-I353 WeakPolarHBondContact O-CA 3.48Å; E343-I353 HydrophobicContact CB-CG2 4.27Å; E343-I353 HydrophobicContact CG-CG2 4.49Å |
| 354 | F | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 154.3 | 176.7 | 62.7 | -85.6 | 0 | 0 | 0 | 112.5 | V307 F313 L321 F323 I329 W341 W342 V359 | V307-F354 HydrophobicContact CG2-CE2 4.35Å; V307-F354 HydrophobicContact CG2-CZ 4.15Å; F313-F354 HydrophobicContact CD1-CB 4.19Å; F313-F354 HydrophobicContact CE1-CB 4.3Å; L321-F354 HydrophobicContact CB-CB 4.47Å; L321-F354 HydrophobicContact CB-CD1 4.33Å; L321-F354 HydrophobicContact CD2-CD1 3.83Å; L321-F354 HydrophobicContact CD2-CE1 4.21Å; F323-F354 HydrophobicContact CD1-CB 4.44Å; F323-F354 HydrophobicContact CE1-CB 3.37Å; F323-F354 HydrophobicContact CE1-CD1 4.38Å; F323-F354 AromaticContact CE1-CD2 3.86Å; F323-F354 HydrophobicContact CE1-CD2 3.86Å; F323-F354 AromaticContact CE1-CG 3.62Å; F323-F354 HydrophobicContact CE1-CG 3.62Å; F323-F354 HydrophobicContact CZ-CB 3.96Å; F323-F354 HydrophobicContact CZ-CD2 4.01Å; F323-F354 HydrophobicContact CZ-CG 4.19Å; I329-F354 HydrophobicContact CB-CZ 4.37Å; I329-F354 HydrophobicContact CD1-CD2 4.43Å; I329-F354 HydrophobicContact CD1-CE1 4.38Å; I329-F354 HydrophobicContact CD1-CE2 4.27Å; I329-F354 HydrophobicContact CD1-CZ 4.24Å; I329-F354 HydrophobicContact CG2-CD1 4.34Å; I329-F354 HydrophobicContact CG2-CE1 3.51Å; I329-F354 HydrophobicContact CG2-CZ 3.74Å; W341-F354 CarbonylContact C-O 3.57Å; W341-F354 WeakPolarHBondContact CA-O 3.17Å; W342-F354 HydrophobicContact CB-CE1 4.3Å; W342-F354 HydrophobicContact CB-CE2 4.21Å; W342-F354 HydrophobicContact CB-CZ 3.97Å; W342-F354 HydrophobicContact CE3-CE2 4.37Å; W342-F354 HydrophobicContact CE3-CZ 4.47Å; W342-F354 PolarHBondContact N-O 3.04Å; W342-F354 WeakPolarHBondContact O-CD1 3.45Å; W342-F354 PolarHBondContact O-N 3.43Å; F354-V359 HydrophobicContact CD2-CG1 3.91Å; F354-V359 HydrophobicContact CE2-CB 4.31Å; F354-V359 HydrophobicContact CE2-CG1 3.55Å; F354-V359 HydrophobicContact CE2-CG2 3.77Å |
| 355 | P | 84.5 | Confident | 84.4 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 8% | 0.078 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 129.8 | -179.9 | 29.9 | -36.9 | 0 | 0 | 0 | 112 | F313 N357 F358 | F313-P355 HydrophobicContact CD2-CG 4.01Å; F313-P355 HydrophobicContact CE2-CG 4.11Å; F313-P355 HydrophobicContact CG-CG 4.33Å; P355-N357 VanDerWaalsContact C-N 3.26Å; P355-N357 WeakPolarHBondContact CB-OD1 3.5Å; P355-N357 PolarHBondContact O-N 3.49Å; P355-F358 HydrophobicContact CB-CD2 3.82Å; P355-F358 HydrophobicContact CB-CE2 4.16Å; P355-F358 HydrophobicContact CG-CB 4.32Å; P355-F358 HydrophobicContact CG-CD2 3.34Å; P355-F358 HydrophobicContact CG-CE2 3.7Å; P355-F358 HydrophobicContact CG-CG 3.84Å; P355-F358 HydrophobicContact CG-CZ 4.45Å; P355-F358 PolarHBondContact O-N 3.29Å; P355-F358 VanDerWaalsContact O-N 3.16Å |
| 356 | A | 81.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -64.2 | -26.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | D340 W342 F358 V359 | D340-A356 VanDerWaalsContact O-CB 3.22Å; D340-A356 WeakPolarHBondContact O-CB 3.08Å; D340-A356 PolarHBondContact O-N 3.43Å; W342-A356 HydrophobicContact CD2-CB 3.59Å; W342-A356 HydrophobicContact CE3-CB 4.1Å; W342-A356 HydrophobicContact CG-CB 3.98Å; W342-A356 HydrophobicContact CH2-CB 4.19Å; W342-A356 HydrophobicContact CZ2-CB 3.7Å; W342-A356 HydrophobicContact CZ3-CB 4.36Å; A356-F358 PolarHBondContact O-N 2.59Å; A356-V359 WeakPolarHBondContact O-CG2 3.33Å; A356-V359 PolarHBondContact O-N 2.99Å |
| 357 | N | 85.6 | Confident | 83.6 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -73 | -2 | 177.6 | 64.1 | -42.7 | 0 | 0 | 0 | 114 | Q338 P355 | Q338-N357 WeakPolarHBondContact O-CB 3.28Å; Q338-N357 PolarHBondContact O-N 3Å; Q338-N357 VanDerWaalsContact O-N 3.12Å; P355-N357 VanDerWaalsContact C-N 3.26Å; P355-N357 WeakPolarHBondContact CB-OD1 3.5Å; P355-N357 PolarHBondContact O-N 3.49Å |
| 358 | F | 84.4 | Confident | 83.6 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 23% | 0.232 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -97.4 | 2.8 | 176.5 | -75.3 | -117.8 | 0 | 0 | 0 | 112.4 | A309 T310 H311 P312 F313 F323 P355 A356 | A309-F358 CarbonylContact C-O 3.56Å; A309-F358 WeakPolarHBondContact CA-O 3.33Å; T310-F358 PolarHBondContact N-O 2.65Å; T310-F358 PolarHBondContact OG1-O 3.01Å; H311-F358 HydrophobicContact CB-CD1 3.57Å; H311-F358 HydrophobicContact CB-CE1 4.07Å; H311-F358 HydrophobicContact CB-CG 4.24Å; P312-F358 WeakPolarHBondContact O-CE1 3.37Å; F313-F358 HydrophobicContact CB-CD1 3.95Å; F313-F358 HydrophobicContact CB-CE1 4.39Å; F313-F358 HydrophobicContact CD2-CE1 4.44Å; F323-F358 HydrophobicContact CE2-CB 4.04Å; F323-F358 HydrophobicContact CZ-CB 3.98Å; P355-F358 HydrophobicContact CB-CD2 3.82Å; P355-F358 HydrophobicContact CB-CE2 4.16Å; P355-F358 HydrophobicContact CG-CB 4.32Å; P355-F358 HydrophobicContact CG-CD2 3.34Å; P355-F358 HydrophobicContact CG-CE2 3.7Å; P355-F358 HydrophobicContact CG-CG 3.84Å; P355-F358 HydrophobicContact CG-CZ 4.45Å; P355-F358 PolarHBondContact O-N 3.29Å; P355-F358 VanDerWaalsContact O-N 3.16Å; A356-F358 PolarHBondContact O-N 2.59Å |
| 359 | V | 88.3 | Confident | 83.8 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 160 | -175.9 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | V307 T308 F323 I329 W342 F354 A356 | V307-V359 HydrophobicContact CB-CB 3.89Å; V307-V359 HydrophobicContact CB-CG2 4Å; V307-V359 HydrophobicContact CG1-CG2 4.31Å; V307-V359 HydrophobicContact CG2-CB 3.77Å; V307-V359 HydrophobicContact CG2-CG1 3.94Å; V307-V359 HydrophobicContact CG2-CG2 3.84Å; T308-V359 CarbonylContact O-C 3.54Å; T308-V359 VanDerWaalsContact O-CA 3.25Å; T308-V359 WeakPolarHBondContact O-CA 3.35Å; F323-V359 HydrophobicContact CZ-CG1 4.21Å; I329-V359 HydrophobicContact CD1-CG1 3.99Å; W342-V359 HydrophobicContact CE3-CG2 4.13Å; W342-V359 HydrophobicContact CZ3-CG2 3.92Å; F354-V359 HydrophobicContact CD2-CG1 3.91Å; F354-V359 HydrophobicContact CE2-CB 4.31Å; F354-V359 HydrophobicContact CE2-CG1 3.55Å; F354-V359 HydrophobicContact CE2-CG2 3.77Å; A356-V359 WeakPolarHBondContact O-CG2 3.33Å; A356-V359 PolarHBondContact O-N 2.99Å |
| 360 | T | 86.9 | Confident | 84.1 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 153.4 | 174.2 | -166.6 | 0 | 0 | 0 | 0 | 110 | V307 T308 T310 | V307-T360 CarbonylContact C-O 3.59Å; V307-T360 VanDerWaalsContact CA-O 3.32Å; V307-T360 WeakPolarHBondContact CA-O 3.22Å; T308-T360 PolarHBondContact N-O 3.28Å; T308-T360 PolarHBondContact O-N 2.79Å; T310-T360 HydrophobicContact CG2-CG2 3.64Å |
| 361 | Y | 79.3 | Confident | 84.4 | Confident | 218 Ų | 218 | 55.8 Ų | 55.8 | 86% | 0.855 | 28% | 0.281 | S | S | * | . | trans | -117.9 | 0 | -179 | 53.6 | -95.2 | 0 | 0 | 0 | 112.6 |
Retrieved 361 of 361 residues in 344.1 ms
(Link to these results)