| 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 | 40.3 | Very low | 81.5 | Confident | 237 Ų | 237 | 88.8 Ų | 88.8 | 100% | 1.167 | 44% | 0.438 | S | S | * | . | 0 | 133.4 | 0 | -57.5 | 171.9 | -164.3 | 0 | 0 | 106.5 | |||||
| 2 | E | 57 | Low | 82.4 | Confident | 195 Ų | 195 | 86.8 Ų | 86.8 | 91% | 0.911 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 138.1 | 157.5 | -64.2 | -179.6 | 125.9 | 0 | 0 | 107.2 | ||
| 3 | V | 65.4 | Low | 83.4 | Confident | 97 Ų | 97 | 82.4 Ų | 82.4 | 59% | 0.588 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 125.9 | 176 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | K5 T7 L8 | V3-K5 PolarHBondContact O-N 2.99Å; V3-T7 HydrophobicContact CG1-CG2 4.49Å; V3-L8 HydrophobicContact CG1-CB 4.1Å |
| 4 | D | 86 | Confident | 84.2 | Confident | 83 Ų | 83 | 84.7 Ų | 84.7 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -52 | 135.1 | 174.9 | 155.2 | 51.1 | 0 | 0 | 0 | 110.9 | Y6 T7 L8 | D4-Y6 VanDerWaalsContact C-N 3.31Å; D4-Y6 PolarHBondContact O-N 3.01Å; D4-Y6 PolarHBondContact OD1-N 3.42Å; D4-Y6 VanDerWaalsContact OD1-N 3.08Å; D4-Y6 WeakPolarHBondContact OD2-CB 3.39Å; D4-Y6 PolarHBondContact OD2-N 3.42Å; D4-T7 PolarHBondContact O-N 3.37Å; D4-T7 VanDerWaalsContact OD2-CB 3.29Å; D4-T7 WeakPolarHBondContact OD2-CB 3.27Å; D4-T7 PolarHBondContact OD2-N 2.68Å; D4-T7 PolarHBondContact OD2-OG1 3.15Å; D4-L8 PolarHBondContact O-N 3.01Å |
| 5 | K | 89.8 | Confident | 85 | Confident | 95 Ų | 95 | 82.9 Ų | 82.9 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | -177.3 | -64.3 | -168.4 | 178.9 | -155.8 | 0 | 111.9 | V3 L8 I9 L26 T62 | V3-K5 PolarHBondContact O-N 2.99Å; K5-L8 PolarHBondContact O-N 3.25Å; K5-I9 WeakPolarHBondContact O-CD1 3.49Å; K5-I9 VanDerWaalsContact O-CG1 3.3Å; K5-I9 WeakPolarHBondContact O-CG1 3.46Å; K5-I9 PolarHBondContact O-N 3.46Å; K5-L26 HydrophobicContact CB-CD2 4.19Å; K5-T62 HydrophobicContact CB-CG2 3.99Å; K5-T62 WeakPolarHBondContact CE-O 3.37Å; K5-T62 HydrophobicContact CG-CG2 4.22Å; K5-T62 PolarHBondContact NZ-O 3.05Å |
| 6 | Y | 93 | Very high | 85.8 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 25% | 0.251 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63 | -52.1 | 178.6 | 168.7 | -94.2 | 0 | 0 | 0 | 109.9 | D4 L8 I9 V10 D19 L22 Q23 L26 | D4-Y6 VanDerWaalsContact C-N 3.31Å; D4-Y6 PolarHBondContact O-N 3.01Å; D4-Y6 PolarHBondContact OD1-N 3.42Å; D4-Y6 VanDerWaalsContact OD1-N 3.08Å; D4-Y6 WeakPolarHBondContact OD2-CB 3.39Å; D4-Y6 PolarHBondContact OD2-N 3.42Å; Y6-L8 VanDerWaalsContact C-N 3.3Å; Y6-L8 PolarHBondContact O-N 3.5Å; Y6-I9 PolarHBondContact O-N 3.3Å; Y6-I9 VanDerWaalsContact O-N 3.09Å; Y6-V10 HydrophobicContact CD1-CG2 4.27Å; Y6-V10 HydrophobicContact CD2-CG1 4.07Å; Y6-V10 HydrophobicContact CE1-CG1 4.49Å; Y6-V10 HydrophobicContact CE1-CG2 3.86Å; Y6-V10 HydrophobicContact CE2-CG1 3.68Å; Y6-V10 WeakPolarHBondContact O-CG2 3.33Å; Y6-V10 PolarHBondContact O-N 2.86Å; Y6-D19 VanDerWaalsContact CE2-OD1 3.3Å; Y6-D19 WeakPolarHBondContact CE2-OD1 2.92Å; Y6-D19 PolarHBondContact OH-OD1 2.84Å; Y6-D19 PolarHBondContact OH-OD2 3.1Å; Y6-L22 HydrophobicContact CD2-CD2 4.08Å; Y6-L22 HydrophobicContact CD2-CG 4.24Å; Y6-L22 HydrophobicContact CE2-CD2 4.07Å; Y6-Q23 HydrophobicContact CD2-CG 3.95Å; Y6-Q23 HydrophobicContact CE2-CG 3.82Å; Y6-L26 HydrophobicContact CD2-CD1 4.27Å |
| 7 | T | 92.6 | Very high | 86.4 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -53.2 | -43.4 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | V3 D4 R11 | V3-T7 HydrophobicContact CG1-CG2 4.49Å; D4-T7 PolarHBondContact O-N 3.37Å; D4-T7 VanDerWaalsContact OD2-CB 3.29Å; D4-T7 WeakPolarHBondContact OD2-CB 3.27Å; D4-T7 PolarHBondContact OD2-N 2.68Å; D4-T7 PolarHBondContact OD2-OG1 3.15Å; T7-R11 WeakPolarHBondContact O-CB 3.24Å; T7-R11 PolarHBondContact O-N 3.23Å |
| 8 | L | 91.6 | Very high | 86.9 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.2 | -36.6 | 179.2 | -170.6 | 57.2 | 0 | 0 | 0 | 112.5 | V3 D4 K5 Y6 K55 D58 K61 T62 | V3-L8 HydrophobicContact CG1-CB 4.1Å; D4-L8 PolarHBondContact O-N 3.01Å; K5-L8 PolarHBondContact O-N 3.25Å; Y6-L8 VanDerWaalsContact C-N 3.3Å; Y6-L8 PolarHBondContact O-N 3.5Å; L8-K55 PolarHBondContact O-NZ 3.44Å; L8-D58 HydrophobicContact CD1-CB 4.09Å; L8-D58 HydrophobicContact CG-CB 4.06Å; L8-K61 HydrophobicContact CD2-CB 3.79Å; L8-T62 HydrophobicContact CB-CG2 4.05Å; L8-T62 HydrophobicContact CD2-CG2 3.91Å; L8-T62 HydrophobicContact CG-CG2 4.21Å |
| 9 | I | 93.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.015 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66 | -54.1 | 173.8 | -71.1 | 162.6 | 0 | 0 | 0 | 110.2 | K5 Y6 L22 L26 K55 M59 T62 L207 | K5-I9 WeakPolarHBondContact O-CD1 3.49Å; K5-I9 VanDerWaalsContact O-CG1 3.3Å; K5-I9 WeakPolarHBondContact O-CG1 3.46Å; K5-I9 PolarHBondContact O-N 3.46Å; Y6-I9 PolarHBondContact O-N 3.3Å; Y6-I9 VanDerWaalsContact O-N 3.09Å; I9-L22 HydrophobicContact CG2-CD2 4.24Å; I9-L26 HydrophobicContact CD1-CD1 4.04Å; I9-L26 HydrophobicContact CD1-CD2 4.02Å; I9-K55 WeakPolarHBondContact O-CD 3.32Å; I9-K55 WeakPolarHBondContact O-CE 3.29Å; I9-K55 PolarHBondContact O-NZ 2.8Å; I9-M59 HydrophobicContact CG1-CG 4.38Å; I9-M59 HydrophobicContact CG2-CE 4.47Å; I9-T62 HydrophobicContact CD1-CG2 4.29Å; I9-T62 HydrophobicContact CG1-CG2 4.03Å; I9-L207 HydrophobicContact CG2-CD1 3.68Å |
| 10 | V | 94.9 | Very high | 87.7 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -81.6 | -16.5 | -169 | -52.5 | 0 | 0 | 0 | 0 | 115.3 | Y6 N12 L13 V16 L22 | Y6-V10 HydrophobicContact CD1-CG2 4.27Å; Y6-V10 HydrophobicContact CD2-CG1 4.07Å; Y6-V10 HydrophobicContact CE1-CG1 4.49Å; Y6-V10 HydrophobicContact CE1-CG2 3.86Å; Y6-V10 HydrophobicContact CE2-CG1 3.68Å; Y6-V10 WeakPolarHBondContact O-CG2 3.33Å; Y6-V10 PolarHBondContact O-N 2.86Å; V10-N12 PolarHBondContact O-N 2.79Å; V10-L13 HydrophobicContact CB-CD1 4.47Å; V10-L13 WeakPolarHBondContact O-CB 3.36Å; V10-L13 WeakPolarHBondContact O-CG 3.4Å; V10-L13 PolarHBondContact O-N 2.95Å; V10-L13 VanDerWaalsContact O-N 3.16Å; V10-V16 HydrophobicContact CG1-CG2 4.23Å; V10-L22 HydrophobicContact CG1-CD2 3.88Å |
| 11 | R | 92.7 | Very high | 87.9 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 31% | 0.306 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 137.6 | 179.3 | 72.6 | 179.1 | -168.4 | 152.2 | 1.4 | 111.7 | T7 L13 K55 D58 P269 | T7-R11 WeakPolarHBondContact O-CB 3.24Å; T7-R11 PolarHBondContact O-N 3.23Å; R11-L13 PolarHBondContact O-N 2.87Å; R11-K55 WeakPolarHBondContact O-CE 3.41Å; R11-K55 PolarHBondContact O-NZ 2.68Å; R11-D58 IonicContact CZ-OD1 3.46Å; R11-D58 IonicContact CZ-OD2 3.81Å; R11-D58 IonicContact NE-OD1 3.69Å; R11-D58 IonicContact NE-OD2 3.8Å; R11-D58 PolarHBondContact NE-OD2 2.82Å; R11-D58 IonicContact NH2-OD1 2.9Å; R11-D58 PolarHBondContact NH2-OD1 3.14Å; R11-D58 IonicContact NH2-OD2 3.38Å; R11-D58 PolarHBondContact NH2-OD2 3.49Å; R11-P269 PolarHBondContact NH2-O 3.26Å |
| 12 | N | 92 | Very high | 90.5 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 11.2 | -179.8 | -62.4 | 0.4 | 0 | 0 | 0 | 116.3 | V10 P210 K264 Y265 | V10-N12 PolarHBondContact O-N 2.79Å; N12-P210 WeakPolarHBondContact O-CD 3.45Å; N12-K264 PolarHBondContact ND2-O 3.27Å; N12-Y265 HydrophobicContact CB-CD1 4.07Å; N12-Y265 HydrophobicContact CB-CE1 4.15Å |
| 13 | L | 95.1 | Very high | 92.2 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | trans | -75.4 | 156.7 | 163.7 | -61.4 | -176.8 | 0 | 0 | 0 | 110.7 | V10 R11 V16 K55 F180 L207 N209 | V10-L13 HydrophobicContact CB-CD1 4.47Å; V10-L13 WeakPolarHBondContact O-CB 3.36Å; V10-L13 WeakPolarHBondContact O-CG 3.4Å; V10-L13 PolarHBondContact O-N 2.95Å; V10-L13 VanDerWaalsContact O-N 3.16Å; R11-L13 PolarHBondContact O-N 2.87Å; L13-V16 HydrophobicContact CD1-CG2 3.8Å; L13-K55 HydrophobicContact CD2-CD 4.06Å; L13-K55 HydrophobicContact CD2-CG 4.05Å; L13-F180 HydrophobicContact CD2-CD2 4.37Å; L13-F180 HydrophobicContact CD2-CE2 3.83Å; L13-L207 HydrophobicContact CD1-CB 3.82Å; L13-L207 HydrophobicContact CD1-CD1 4.34Å; L13-L207 HydrophobicContact CD1-CD2 3.76Å; L13-L207 HydrophobicContact CD1-CG 4.17Å; L13-N209 HydrophobicContact CD2-CB 4.46Å | ||
| 14 | Q | 94.3 | Very high | 93.5 | Very high | 115 Ų | 115 | 57.4 Ų | 57.4 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -94.6 | -36.2 | 172.5 | 179.2 | 173 | -24 | 0 | 0 | 111.7 | M208 P210 | Q14-M208 PolarHBondContact N-O 2.9Å; Q14-P210 HydrophobicContact CB-CB 4.06Å; Q14-P210 VanDerWaalsContact OE1-CA 3.27Å |
| 15 | E | 96.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146 | -179 | -172.6 | 174 | -176 | 0 | 0 | 110.9 | V17 R186 M208 | E15-V17 HydrophobicContact CG-CG2 4.39Å; E15-R186 VanDerWaalsContact CD-NE 3.33Å; E15-R186 IonicContact OE1-CZ 4Å; E15-R186 VanDerWaalsContact OE1-CZ 3.31Å; E15-R186 IonicContact OE1-NE 2.7Å; E15-R186 PolarHBondContact OE1-NE 2.62Å; E15-R186 VanDerWaalsContact OE1-NE 3.16Å; E15-R186 IonicContact OE1-NH2 3.79Å; E15-R186 PolarHBondContact OE1-NH2 2.82Å; E15-R186 WeakPolarHBondContact OE2-CD 3.15Å; E15-R186 IonicContact OE2-CZ 2.8Å; E15-R186 IonicContact OE2-NE 2.93Å; E15-R186 PolarHBondContact OE2-NE 2.75Å; E15-R186 IonicContact OE2-NH2 3.76Å; E15-M208 HydrophobicContact CB-CB 4.25Å; E15-M208 HydrophobicContact CB-CE 3.82Å; E15-M208 HydrophobicContact CB-SD 4.47Å; E15-M208 HydrophobicContact CG-CE 3.66Å; E15-M208 PolarHBondContact N-O 3.04Å; E15-M208 PolarHBondContact O-N 2.9Å |
| 16 | V | 97.4 | Very high | 93.8 | Very high | 41 Ų | 41 | 51.8 Ų | 51.8 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.5 | 173.9 | 175.8 | 0 | 0 | 0 | 0 | 107.3 | V10 L13 D19 L22 H206 L207 | V10-V16 HydrophobicContact CG1-CG2 4.23Å; L13-V16 HydrophobicContact CD1-CG2 3.8Å; V16-D19 HydrophobicContact CG1-CB 3.95Å; V16-L22 HydrophobicContact CG1-CD2 4.49Å; V16-H206 WeakPolarHBondContact CA-O 3.3Å; V16-L207 HydrophobicContact CB-CD2 4.27Å; V16-L207 HydrophobicContact CG1-CD2 3.79Å; V16-L207 HydrophobicContact CG2-CD2 3.84Å |
| 17 | V | 96.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 55 Ų | 55 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.3 | 169.7 | -164.7 | 0 | 0 | 0 | 0 | 108.5 | E15 M190 E193 I205 H206 M208 | E15-V17 HydrophobicContact CG-CG2 4.39Å; V17-M190 HydrophobicContact CB-CE 4.41Å; V17-M190 HydrophobicContact CG1-CE 4.24Å; V17-M190 HydrophobicContact CG2-CE 4.07Å; V17-E193 VanDerWaalsContact CG1-OE1 3.25Å; V17-E193 WeakPolarHBondContact CG1-OE1 3.33Å; V17-I205 WeakPolarHBondContact O-CA 3.26Å; V17-I205 WeakPolarHBondContact O-CG2 3.32Å; V17-H206 HydrophobicContact CB-CB 4.21Å; V17-H206 PolarHBondContact N-O 3.38Å; V17-H206 PolarHBondContact O-N 2.93Å; V17-M208 HydrophobicContact CG2-CE 3.74Å |
| 18 | G | 95.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 83.4 | 38.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E21 L22 | G18-E21 WeakPolarHBondContact CA-OE2 3.21Å; G18-E21 PolarHBondContact O-N 2.86Å; G18-L22 WeakPolarHBondContact O-CB 3.5Å; G18-L22 PolarHBondContact O-N 3.2Å |
| 19 | D | 94.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 62.4 Ų | 62.4 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | -179 | -165.8 | 75.6 | 0 | 0 | 0 | 112.6 | Y6 V16 E21 L22 Q23 | Y6-D19 VanDerWaalsContact CE2-OD1 3.3Å; Y6-D19 WeakPolarHBondContact CE2-OD1 2.92Å; Y6-D19 PolarHBondContact OH-OD1 2.84Å; Y6-D19 PolarHBondContact OH-OD2 3.1Å; V16-D19 HydrophobicContact CG1-CB 3.95Å; D19-E21 VanDerWaalsContact C-N 3.32Å; D19-E21 PolarHBondContact O-N 3.36Å; D19-L22 WeakPolarHBondContact O-CB 3.34Å; D19-L22 PolarHBondContact O-N 2.9Å; D19-L22 VanDerWaalsContact O-N 3.16Å; D19-Q23 WeakPolarHBondContact O-CG 3.48Å; D19-Q23 PolarHBondContact O-N 3.17Å; D19-Q23 PolarHBondContact OD2-NE2 3.34Å |
| 20 | D | 93.9 | Very high | 91.1 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.5 | -44.1 | 173.9 | -77.1 | -50.2 | 0 | 0 | 0 | 110.9 | N24 | D20-N24 WeakPolarHBondContact O-CB 3.41Å; D20-N24 PolarHBondContact O-N 3.48Å; D20-N24 PolarHBondContact O-ND2 3.19Å |
| 21 | E | 93.4 | Very high | 89.8 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 52% | 0.523 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 173.9 | -69 | 87 | 162.8 | 0 | 0 | 112.3 | G18 D19 N24 L25 I205 | G18-E21 WeakPolarHBondContact CA-OE2 3.21Å; G18-E21 PolarHBondContact O-N 2.86Å; D19-E21 VanDerWaalsContact C-N 3.32Å; D19-E21 PolarHBondContact O-N 3.36Å; E21-N24 PolarHBondContact O-N 2.87Å; E21-L25 VanDerWaalsContact O-CB 3.24Å; E21-L25 WeakPolarHBondContact O-CB 3.38Å; E21-L25 PolarHBondContact O-N 3.47Å; E21-I205 HydrophobicContact CB-CD1 4.18Å; E21-I205 HydrophobicContact CB-CG1 4.02Å |
| 22 | L | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.4 | -50.9 | 176.3 | 176.3 | 60 | 0 | 0 | 0 | 111.4 | Y6 I9 V10 V16 G18 D19 N24 L25 L26 I178 I205 L207 | Y6-L22 HydrophobicContact CD2-CD2 4.08Å; Y6-L22 HydrophobicContact CD2-CG 4.24Å; Y6-L22 HydrophobicContact CE2-CD2 4.07Å; I9-L22 HydrophobicContact CG2-CD2 4.24Å; V10-L22 HydrophobicContact CG1-CD2 3.88Å; V16-L22 HydrophobicContact CG1-CD2 4.49Å; G18-L22 WeakPolarHBondContact O-CB 3.5Å; G18-L22 PolarHBondContact O-N 3.2Å; D19-L22 WeakPolarHBondContact O-CB 3.34Å; D19-L22 PolarHBondContact O-N 2.9Å; D19-L22 VanDerWaalsContact O-N 3.16Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 3.3Å; L22-L25 PolarHBondContact O-N 3.39Å; L22-L26 HydrophobicContact CD1-CD1 3.84Å; L22-L26 HydrophobicContact CD1-CG 4.23Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 3.36Å; L22-I178 HydrophobicContact CD1-CD1 3.74Å; L22-I205 HydrophobicContact CB-CD1 3.97Å; L22-I205 HydrophobicContact CB-CG2 4.22Å; L22-I205 HydrophobicContact CD1-CD1 4.42Å; L22-L207 HydrophobicContact CD2-CD2 4.26Å |
| 23 | Q | 93 | Very high | 89.1 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.3 | -68.5 | -174.6 | 37 | 0 | 0 | 111.3 | Y6 D19 L25 L26 K27 | Y6-Q23 HydrophobicContact CD2-CG 3.95Å; Y6-Q23 HydrophobicContact CE2-CG 3.82Å; D19-Q23 WeakPolarHBondContact O-CG 3.48Å; D19-Q23 PolarHBondContact O-N 3.17Å; D19-Q23 PolarHBondContact OD2-NE2 3.34Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 2.96Å; Q23-L26 PolarHBondContact O-N 3.18Å; Q23-K27 WeakPolarHBondContact O-CB 3.33Å; Q23-K27 WeakPolarHBondContact O-CD 3.47Å; Q23-K27 WeakPolarHBondContact O-CG 3.48Å; Q23-K27 PolarHBondContact O-N 2.67Å |
| 24 | N | 91.4 | Very high | 89.2 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75 | -19.3 | -179.1 | -66.1 | -29.3 | 0 | 0 | 0 | 113.4 | D20 E21 L22 K27 K28 | D20-N24 WeakPolarHBondContact O-CB 3.41Å; D20-N24 PolarHBondContact O-N 3.48Å; D20-N24 PolarHBondContact O-ND2 3.19Å; E21-N24 PolarHBondContact O-N 2.87Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 3.3Å; N24-K27 PolarHBondContact OD1-NZ 3.49Å; N24-K27 VanDerWaalsContact OD1-NZ 3.13Å; N24-K28 WeakPolarHBondContact O-CE 3.35Å |
| 25 | L | 91 | Very high | 89.3 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 15% | 0.152 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.2 | -46.7 | 168.1 | -173.4 | 62.4 | 0 | 0 | 0 | 110.7 | E21 L22 Q23 K27 K28 S31 V33 D177 I205 | E21-L25 VanDerWaalsContact O-CB 3.24Å; E21-L25 WeakPolarHBondContact O-CB 3.38Å; E21-L25 PolarHBondContact O-N 3.47Å; L22-L25 PolarHBondContact O-N 3.39Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 2.96Å; L25-K27 VanDerWaalsContact C-N 3.35Å; L25-K27 PolarHBondContact O-N 3.19Å; L25-K28 PolarHBondContact O-N 3.38Å; L25-S31 WeakPolarHBondContact O-CB 3.31Å; L25-S31 PolarHBondContact O-OG 3.23Å; L25-V33 HydrophobicContact CD2-CB 4.37Å; L25-V33 HydrophobicContact CD2-CG1 4.03Å; L25-V33 HydrophobicContact CD2-CG2 3.9Å; L25-V33 HydrophobicContact CG-CG2 4.11Å; L25-D177 HydrophobicContact CD2-CB 3.82Å; L25-I205 HydrophobicContact CD2-CD1 4.34Å |
| 26 | L | 91.1 | Very high | 89.4 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 16% | 0.162 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.8 | -25 | -179.6 | -69.6 | 169.7 | 0 | 0 | 0 | 114.2 | K5 Y6 I9 L22 Q23 K28 V33 | K5-L26 HydrophobicContact CB-CD2 4.19Å; Y6-L26 HydrophobicContact CD2-CD1 4.27Å; I9-L26 HydrophobicContact CD1-CD1 4.04Å; I9-L26 HydrophobicContact CD1-CD2 4.02Å; L22-L26 HydrophobicContact CD1-CD1 3.84Å; L22-L26 HydrophobicContact CD1-CG 4.23Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 3.36Å; Q23-L26 PolarHBondContact O-N 3.18Å; L26-K28 PolarHBondContact O-N 2.7Å; L26-V33 HydrophobicContact CD2-CG2 3.69Å; L26-V33 HydrophobicContact CG-CG2 4.43Å |
| 27 | K | 87.7 | Confident | 89.4 | Confident | 132 Ų | 132 | 57.1 Ų | 57.1 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.8 | 174.3 | -74.6 | 161.3 | -162.5 | 162.7 | 0 | 113.6 | Q23 N24 L25 | Q23-K27 WeakPolarHBondContact O-CB 3.33Å; Q23-K27 WeakPolarHBondContact O-CD 3.47Å; Q23-K27 WeakPolarHBondContact O-CG 3.48Å; Q23-K27 PolarHBondContact O-N 2.67Å; N24-K27 PolarHBondContact OD1-NZ 3.49Å; N24-K27 VanDerWaalsContact OD1-NZ 3.13Å; L25-K27 VanDerWaalsContact C-N 3.35Å; L25-K27 PolarHBondContact O-N 3.19Å |
| 28 | K | 84.1 | Confident | 89.4 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -81 | 131.9 | -177.1 | -67.5 | 168.6 | -174.7 | 171.8 | 0 | 110.7 | N24 L25 L26 N30 S31 | N24-K28 WeakPolarHBondContact O-CE 3.35Å; L25-K28 PolarHBondContact O-N 3.38Å; L26-K28 PolarHBondContact O-N 2.7Å; K28-N30 PolarHBondContact O-N 3.13Å; K28-S31 VanDerWaalsContact O-CB 3.28Å; K28-S31 WeakPolarHBondContact O-CB 3.45Å; K28-S31 PolarHBondContact O-N 2.89Å; K28-S31 VanDerWaalsContact O-N 3.13Å; K28-S31 PolarHBondContact O-OG 3.12Å |
| 29 | P | 72 | Confident | 89.5 | Confident | 122 Ų | 122 | 56.7 Ų | 56.7 | 79% | 0.792 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 137.7 | 175.5 | 25.5 | -33.6 | 0 | 0 | 0 | 110.3 | S31 | P29-S31 PolarHBondContact O-N 3.46Š|
| 30 | N | 70.7 | Confident | 89.3 | Confident | 168 Ų | 168 | 55.7 Ų | 55.7 | 90% | 0.898 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 24.6 | -175.3 | -58.8 | -21.2 | 0 | 0 | 0 | 115.5 | K28 S32 | K28-N30 PolarHBondContact O-N 3.13Å; N30-S32 PolarHBondContact O-N 2.96Å |
| 31 | S | 67 | Low | 89.3 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -61.2 | 107.8 | 175.3 | 65.7 | 0 | 0 | 0 | 0 | 112.6 | L25 K28 P29 | L25-S31 WeakPolarHBondContact O-CB 3.31Å; L25-S31 PolarHBondContact O-OG 3.23Å; K28-S31 VanDerWaalsContact O-CB 3.28Å; K28-S31 WeakPolarHBondContact O-CB 3.45Å; K28-S31 PolarHBondContact O-N 2.89Å; K28-S31 VanDerWaalsContact O-N 3.13Å; K28-S31 PolarHBondContact O-OG 3.12Å; P29-S31 PolarHBondContact O-N 3.46Å | ||
| 32 | S | 79.3 | Confident | 89 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 48% | 0.483 | 26% | 0.26 | S | S | . | . | trans | -92.4 | 94.4 | 165.3 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | N30 | N30-S32 PolarHBondContact O-N 2.96Š| ||
| 33 | V | 92 | Very high | 88.6 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | trans | -62.3 | 137.5 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 110 | L25 L26 V35 A64 K65 I178 | L25-V33 HydrophobicContact CD2-CB 4.37Å; L25-V33 HydrophobicContact CD2-CG1 4.03Å; L25-V33 HydrophobicContact CD2-CG2 3.9Å; L25-V33 HydrophobicContact CG-CG2 4.11Å; L26-V33 HydrophobicContact CD2-CG2 3.69Å; L26-V33 HydrophobicContact CG-CG2 4.43Å; V33-V35 HydrophobicContact CG1-CG2 4.02Å; V33-A64 HydrophobicContact CB-CB 4.32Å; V33-A64 WeakPolarHBondContact O-CA 3.35Å; V33-K65 PolarHBondContact O-N 3.32Å; V33-I178 HydrophobicContact CG1-CD1 3.43Å; V33-I178 VanDerWaalsContact CG1-CD1 3.43Å; V33-I178 HydrophobicContact CG1-CG1 3.83Å | ||
| 34 | S | 96 | Very high | 88.5 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.9 | 174.7 | 60.2 | 0 | 0 | 0 | 0 | 112 | V176 D177 I178 | S34-V176 WeakPolarHBondContact OG-CA 3.34Å; S34-D177 PolarHBondContact N-OD2 3.26Å; S34-D177 VanDerWaalsContact N-OD2 3.16Å; S34-D177 PolarHBondContact O-N 3.24Å; S34-D177 VanDerWaalsContact OG-CG 3.3Å; S34-D177 PolarHBondContact OG-N 2.63Å; S34-D177 PolarHBondContact OG-OD2 3.09Å; S34-I178 PolarHBondContact O-N 3.09Å |
| 35 | V | 97.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.6 | -177.1 | -167.3 | 0 | 0 | 0 | 0 | 109.8 | V33 M59 A64 K65 V66 T67 I178 F180 | V33-V35 HydrophobicContact CG1-CG2 4.02Å; V35-M59 HydrophobicContact CB-SD 4.35Å; V35-M59 HydrophobicContact CG1-CE 4.49Å; V35-M59 HydrophobicContact CG1-SD 3.82Å; V35-M59 HydrophobicContact CG2-SD 4.19Å; V35-A64 HydrophobicContact CG2-CB 4.45Å; V35-K65 PolarHBondContact N-O 3.13Å; V35-V66 WeakPolarHBondContact O-CA 3.17Å; V35-T67 PolarHBondContact O-N 2.71Å; V35-I178 WeakPolarHBondContact CA-O 3.36Å; V35-I178 HydrophobicContact CB-CB 4.29Å; V35-I178 HydrophobicContact CG1-CB 4.04Å; V35-I178 HydrophobicContact CG1-CG2 4.06Å; V35-I178 HydrophobicContact CG2-CB 4.04Å; V35-I178 HydrophobicContact CG2-CD1 4.23Å; V35-I178 HydrophobicContact CG2-CG1 4.29Å; V35-F180 HydrophobicContact CG1-CB 4.02Å |
| 36 | Y | 98.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 159 | 159.1 | 84.2 | -63.4 | 0 | 0 | 0 | 114 | T67 L69 Q167 D170 E171 L174 V176 I178 Q179 F180 | Y36-T67 CarbonylContact C-O 3.51Å; Y36-T67 WeakPolarHBondContact CA-O 3.49Å; Y36-T67 WeakPolarHBondContact CB-O 3.23Å; Y36-L69 HydrophobicContact CD2-CB 4.15Å; Y36-L69 HydrophobicContact CD2-CD2 4.36Å; Y36-L69 HydrophobicContact CE2-CD2 4.16Å; Y36-Q167 PolarHBondContact OH-O 3.49Å; Y36-Q167 VanDerWaalsContact OH-O 3.07Å; Y36-D170 HydrophobicContact CE2-CB 4Å; Y36-E171 HydrophobicContact CE1-CG 4Å; Y36-E171 WeakPolarHBondContact OH-CG 3.37Å; Y36-E171 PolarHBondContact OH-N 2.73Å; Y36-L174 HydrophobicContact CD1-CD1 4.48Å; Y36-L174 HydrophobicContact CD2-CD1 3.44Å; Y36-L174 VanDerWaalsContact CD2-CD1 3.44Å; Y36-L174 HydrophobicContact CE2-CD1 3.91Å; Y36-L174 HydrophobicContact CG-CD1 3.75Å; Y36-V176 HydrophobicContact CD1-CB 4.26Å; Y36-V176 HydrophobicContact CD1-CG1 3.97Å; Y36-V176 HydrophobicContact CD1-CG2 3.64Å; Y36-V176 HydrophobicContact CE1-CG2 3.79Å; Y36-V176 HydrophobicContact CG-CG1 4.42Å; Y36-I178 PolarHBondContact N-O 2.89Å; Y36-Q179 HydrophobicContact CD1-CB 4.19Å; Y36-Q179 HydrophobicContact CD1-CG 4.37Å; Y36-Q179 HydrophobicContact CE1-CB 3.57Å; Y36-Q179 HydrophobicContact CE1-CG 3.67Å; Y36-Q179 PolarHBondContact OH-NE2 3.31Å; Y36-Q179 PolarHBondContact OH-OE1 3.13Å; Y36-F180 PolarHBondContact O-N 2.87Å |
| 37 | W | 98.4 | Very high | 88.4 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.1 | 168.8 | 172.4 | 59.3 | 0 | 0 | 0 | 108.9 | T39 Y49 P52 I53 L56 T67 V68 L69 I98 F180 | W37-T39 HydrophobicContact CH2-CG2 4.13Å; W37-T39 HydrophobicContact CZ3-CG2 4.07Å; W37-Y49 AromaticContact CH2-CD1 3.95Å; W37-Y49 HydrophobicContact CH2-CD1 3.95Å; W37-Y49 HydrophobicContact CH2-CE1 4.06Å; W37-Y49 HydrophobicContact CZ2-CD1 4.48Å; W37-Y49 HydrophobicContact CZ2-CE1 4.45Å; W37-P52 HydrophobicContact CD2-CB 4.47Å; W37-P52 HydrophobicContact CH2-CG 4.32Å; W37-P52 HydrophobicContact CZ2-CB 3.96Å; W37-P52 HydrophobicContact CZ2-CG 3.77Å; W37-I53 HydrophobicContact CE3-CD1 4.41Å; W37-I53 HydrophobicContact CH2-CD1 4.29Å; W37-I53 HydrophobicContact CZ3-CD1 3.74Å; W37-L56 HydrophobicContact CB-CD1 3.87Å; W37-L56 HydrophobicContact CB-CD2 4.1Å; W37-L56 HydrophobicContact CB-CG 4.49Å; W37-L56 HydrophobicContact CD2-CD1 3.99Å; W37-L56 HydrophobicContact CE3-CD1 3.61Å; W37-L56 HydrophobicContact CG-CD1 4.12Å; W37-L56 HydrophobicContact CZ3-CD1 4.47Å; W37-T67 PolarHBondContact N-O 3.18Å; W37-V68 HydrophobicContact CE3-CB 4.3Å; W37-V68 HydrophobicContact CE3-CG1 3.54Å; W37-V68 HydrophobicContact CE3-CG2 3.87Å; W37-V68 HydrophobicContact CZ3-CG1 3.79Å; W37-V68 HydrophobicContact CZ3-CG2 4.46Å; W37-V68 WeakPolarHBondContact O-CA 3.48Å; W37-L69 PolarHBondContact O-N 3.06Å; W37-I98 HydrophobicContact CH2-CD1 4.37Å; W37-I98 HydrophobicContact CZ3-CD1 4.05Å; W37-F180 HydrophobicContact CB-CD1 4.12Å; W37-F180 AromaticContact CD1-CD1 3.95Å; W37-F180 HydrophobicContact CG-CD1 4.15Å |
| 38 | G | 97.1 | Very high | 88.5 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 135.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 39 | T | 95.9 | Very high | 88.9 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 120.1 | 171.2 | -171.1 | 0 | 0 | 0 | 0 | 111 | W37 V68 L69 F70 A71 Y94 I98 | W37-T39 HydrophobicContact CH2-CG2 4.13Å; W37-T39 HydrophobicContact CZ3-CG2 4.07Å; T39-V68 HydrophobicContact CG2-CG1 3.92Å; T39-L69 PolarHBondContact N-O 2.83Å; T39-F70 HydrophobicContact CG2-CD1 3.85Å; T39-F70 HydrophobicContact CG2-CE1 4.21Å; T39-A71 PolarHBondContact O-N 3.25Å; T39-Y94 HydrophobicContact CG2-CD1 4.14Å; T39-Y94 HydrophobicContact CG2-CE1 4.45Å; T39-Y94 WeakPolarHBondContact OG1-CE1 3.29Å; T39-I98 HydrophobicContact CG2-CD1 4.19Å |
| 40 | A | 92.2 | Very high | 90 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | trans | -79.5 | 123.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T42 A75 Y94 | A40-T42 HydrophobicContact CB-CG2 4.07Å; A40-T42 PolarHBondContact O-N 2.86Å; A40-T42 PolarHBondContact O-OG1 2.84Å; A40-A75 HydrophobicContact CB-CB 4.18Å; A40-Y94 PolarHBondContact O-OH 2.83Å | ||
| 41 | T | 92 | Very high | 91 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -79.7 | 58.2 | -168.2 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | F70 R90 T91 Y94 | T41-F70 HydrophobicContact CG2-CB 3.95Å; T41-F70 HydrophobicContact CG2-CD1 4.19Å; T41-F70 HydrophobicContact CG2-CG 4.4Å; T41-R90 WeakPolarHBondContact O-CB 3.45Å; T41-R90 WeakPolarHBondContact O-CD 3.33Å; T41-T91 HydrophobicContact CG2-CG2 4.49Å; T41-T91 PolarHBondContact OG1-OG1 2.87Å; T41-Y94 HydrophobicContact CG2-CD1 4.1Å; T41-Y94 HydrophobicContact CG2-CD2 4.09Å; T41-Y94 HydrophobicContact CG2-CG 3.83Å | ||
| 42 | T | 89 | Confident | 92.4 | Very high | 29 Ų | 29 | 19.4 Ų | 19.4 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | trans | -97.4 | -86.9 | -164.2 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | A40 A75 K81 R90 Y94 | A40-T42 HydrophobicContact CB-CG2 4.07Å; A40-T42 PolarHBondContact O-N 2.86Å; A40-T42 PolarHBondContact O-OG1 2.84Å; T42-A75 HydrophobicContact CG2-CB 3.59Å; T42-K81 HydrophobicContact CG2-CB 3.63Å; T42-K81 HydrophobicContact CG2-CD 4.2Å; T42-R90 WeakPolarHBondContact O-CD 3.4Å; T42-R90 PolarHBondContact O-NH1 2.84Å; T42-Y94 PolarHBondContact N-OH 2.91Å | ||
| 43 | G | 86.2 | Confident | 93.2 | Very high | 20 Ų | 20 | 16.1 Ų | 16.1 | 21% | 0.206 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -89.4 | 178.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P45 Y94 Y338 | G43-P45 WeakPolarHBondContact O-CD 3.32Å; G43-Y94 WeakPolarHBondContact O-CE2 3.41Å; G43-Y94 PolarHBondContact O-OH 2.79Å; G43-Y338 PolarHBondContact O-OH 2.74Å |
| 44 | R | 90.5 | Very high | 93.3 | Very high | 76 Ų | 76 | 16.1 Ų | 16.1 | 29% | 0.287 | 10% | 0.097 | S | C | . | . | trans | -67.4 | 130.2 | 170.2 | -67.5 | -173.3 | -173.1 | 178.5 | 4 | 110.6 | Y93 D230 Y338 | R44-Y93 HydrophobicContact CB-CE1 4.45Å; R44-Y93 HydrophobicContact CG-CE1 4.21Å; R44-D230 WeakPolarHBondContact CD-OD2 3.23Å; R44-Y338 HydrophobicContact CG-CD1 3.99Å; R44-Y338 HydrophobicContact CG-CD2 3.83Å; R44-Y338 HydrophobicContact CG-CE1 3.86Å; R44-Y338 HydrophobicContact CG-CE2 3.7Å; R44-Y338 HydrophobicContact CG-CG 3.98Å | ||
| 45 | P | 91.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -58.1 | 141.5 | 168.9 | -28.3 | 39.5 | 0 | 0 | 0 | 112.1 | G43 Y49 Y94 V97 L231 | G43-P45 WeakPolarHBondContact O-CD 3.32Å; P45-Y49 HydrophobicContact CB-CD1 3.87Å; P45-Y49 HydrophobicContact CB-CD2 3.8Å; P45-Y49 HydrophobicContact CB-CE1 3.93Å; P45-Y49 HydrophobicContact CB-CE2 3.86Å; P45-Y49 HydrophobicContact CB-CG 3.81Å; P45-Y49 HydrophobicContact CG-CD1 4.34Å; P45-Y49 HydrophobicContact CG-CE1 4Å; P45-Y49 HydrophobicContact CG-CE2 4.45Å; P45-Y94 HydrophobicContact CG-CD1 4.03Å; P45-Y94 HydrophobicContact CG-CD2 4.29Å; P45-Y94 HydrophobicContact CG-CE1 3.74Å; P45-Y94 HydrophobicContact CG-CE2 4.01Å; P45-Y94 HydrophobicContact CG-CG 4.32Å; P45-V97 HydrophobicContact CB-CG2 4.49Å; P45-V97 HydrophobicContact CG-CG2 4.09Å; P45-L231 HydrophobicContact CB-CD1 3.88Å | ||
| 46 | H | 89.8 | Confident | 93.2 | Very high | 25 Ų | 25 | 15.6 Ų | 15.6 | 12% | 0.116 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -116 | 166.6 | 178 | 51.4 | 40.1 | 0 | 0 | 0 | 110.3 | A48 Y49 M220 K228 I229 | H46-A48 PolarHBondContact O-N 3.01Å; H46-Y49 AromaticContact CE1-CD2 3.88Å; H46-Y49 AromaticContact CE1-CE2 4Å; H46-Y49 AromaticContact ND1-CD2 3.72Å; H46-Y49 WeakPolarHBondContact O-CB 3.14Å; H46-Y49 WeakPolarHBondContact O-CD2 3.36Å; H46-Y49 PolarHBondContact O-N 3.04Å; H46-M220 HydrophobicContact CB-SD 3.92Å; H46-M220 VanDerWaalsContact CG-SD 3.59Å; H46-K228 HydrophobicContact CB-CB 4.02Å; H46-K228 HydrophobicContact CB-CD 4.49Å; H46-I229 CarbonylContact C-O 3.58Å; H46-I229 WeakPolarHBondContact CA-O 3.48Å; H46-I229 VanDerWaalsContact CB-O 3.22Å; H46-I229 WeakPolarHBondContact CB-O 3.35Å |
| 47 | I | 90.2 | Very high | 93 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -46.8 | -32.5 | -173.4 | -163.8 | 74.5 | 0 | 0 | 0 | 115.4 | Y49 F50 M220 I229 L231 F262 L314 L318 | I47-Y49 PolarHBondContact O-N 2.88Å; I47-F50 HydrophobicContact CD1-CD2 3.67Å; I47-F50 HydrophobicContact CD1-CE2 3.75Å; I47-F50 HydrophobicContact CG1-CD2 4.25Å; I47-F50 WeakPolarHBondContact O-CB 3.47Å; I47-F50 WeakPolarHBondContact O-CD2 3.3Å; I47-F50 PolarHBondContact O-N 3.38Å; I47-M220 HydrophobicContact CG2-CE 4Å; I47-M220 HydrophobicContact CG2-SD 4.19Å; I47-I229 HydrophobicContact CB-CB 3.97Å; I47-I229 HydrophobicContact CB-CG2 4.14Å; I47-I229 HydrophobicContact CG2-CB 3.78Å; I47-I229 HydrophobicContact CG2-CD1 4.37Å; I47-I229 HydrophobicContact CG2-CG2 4.49Å; I47-I229 PolarHBondContact N-O 3.08Å; I47-L231 HydrophobicContact CD1-CD2 4.4Å; I47-F262 HydrophobicContact CG1-CE1 4.2Å; I47-F262 HydrophobicContact CG2-CE1 3.77Å; I47-F262 HydrophobicContact CG2-CZ 3.64Å; I47-L314 HydrophobicContact CD1-CD2 4.08Å; I47-L314 HydrophobicContact CG1-CD1 4.25Å; I47-L314 HydrophobicContact CG1-CD2 3.97Å; I47-L318 HydrophobicContact CD1-CD1 4.16Å; I47-L318 HydrophobicContact CD1-CD2 3.71Å; I47-L318 HydrophobicContact CD1-CG 3.95Å |
| 48 | A | 88.7 | Confident | 92.8 | Very high | 17 Ų | 17 | 14.8 Ų | 14.8 | 14% | 0.14 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -61.9 | -13.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H46 F50 V51 M220 F262 | H46-A48 PolarHBondContact O-N 3.01Å; A48-F50 PolarHBondContact O-N 3.42Å; A48-V51 WeakPolarHBondContact O-CB 3.33Å; A48-V51 WeakPolarHBondContact O-CG2 3.32Å; A48-V51 PolarHBondContact O-N 2.91Å; A48-V51 VanDerWaalsContact O-N 3.09Å; A48-M220 HydrophobicContact CB-SD 4Å; A48-F262 HydrophobicContact CB-CZ 4.2Å |
| 49 | Y | 93.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 13.4 Ų | 13.4 | 16% | 0.161 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -61.9 | -19.2 | 168.6 | -88.7 | -115.9 | 0 | 0 | 0 | 112.7 | W37 P45 H46 I47 V51 P52 I53 Y94 | W37-Y49 AromaticContact CH2-CD1 3.95Å; W37-Y49 HydrophobicContact CH2-CD1 3.95Å; W37-Y49 HydrophobicContact CH2-CE1 4.06Å; W37-Y49 HydrophobicContact CZ2-CD1 4.48Å; W37-Y49 HydrophobicContact CZ2-CE1 4.45Å; P45-Y49 HydrophobicContact CB-CD1 3.87Å; P45-Y49 HydrophobicContact CB-CD2 3.8Å; P45-Y49 HydrophobicContact CB-CE1 3.93Å; P45-Y49 HydrophobicContact CB-CE2 3.86Å; P45-Y49 HydrophobicContact CB-CG 3.81Å; P45-Y49 HydrophobicContact CG-CD1 4.34Å; P45-Y49 HydrophobicContact CG-CE1 4Å; P45-Y49 HydrophobicContact CG-CE2 4.45Å; H46-Y49 AromaticContact CE1-CD2 3.88Å; H46-Y49 AromaticContact CE1-CE2 4Å; H46-Y49 AromaticContact ND1-CD2 3.72Å; H46-Y49 WeakPolarHBondContact O-CB 3.14Å; H46-Y49 WeakPolarHBondContact O-CD2 3.36Å; H46-Y49 PolarHBondContact O-N 3.04Å; I47-Y49 PolarHBondContact O-N 2.88Å; Y49-V51 PolarHBondContact O-N 3Å; Y49-P52 VanDerWaalsContact O-CD 3.23Å; Y49-P52 WeakPolarHBondContact O-CD 3.46Å; Y49-P52 WeakPolarHBondContact O-CG 3.39Å; Y49-I53 VanDerWaalsContact O-CG1 3.24Å; Y49-I53 WeakPolarHBondContact O-CG1 3.28Å; Y49-I53 PolarHBondContact O-N 3.03Å; Y49-Y94 AromaticContact CE1-CE1 3.95Å; Y49-Y94 HydrophobicContact CE1-CE1 3.95Å; Y49-Y94 PolarHBondContact OH-OH 3.33Å |
| 50 | F | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.2 | -27.3 | 171.7 | -86.1 | -78.2 | 0 | 0 | 0 | 112.4 | I47 A48 I53 I54 M101 I105 L231 V266 L317 L318 I321 | I47-F50 HydrophobicContact CD1-CD2 3.67Å; I47-F50 HydrophobicContact CD1-CE2 3.75Å; I47-F50 HydrophobicContact CG1-CD2 4.25Å; I47-F50 WeakPolarHBondContact O-CB 3.47Å; I47-F50 WeakPolarHBondContact O-CD2 3.3Å; I47-F50 PolarHBondContact O-N 3.38Å; A48-F50 PolarHBondContact O-N 3.42Å; F50-I53 PolarHBondContact O-N 3.25Å; F50-I54 HydrophobicContact CB-CD1 4.18Å; F50-I54 HydrophobicContact CD1-CD1 4.44Å; F50-I54 WeakPolarHBondContact O-CB 3.49Å; F50-I54 WeakPolarHBondContact O-CD1 3.42Å; F50-I54 WeakPolarHBondContact O-CG1 3.18Å; F50-I54 PolarHBondContact O-N 2.75Å; F50-M101 HydrophobicContact CB-CE 4.17Å; F50-M101 HydrophobicContact CD1-CE 3.87Å; F50-M101 HydrophobicContact CD2-CE 3.53Å; F50-M101 HydrophobicContact CE1-CB 4.18Å; F50-M101 HydrophobicContact CE1-CE 4.08Å; F50-M101 HydrophobicContact CE1-CG 4.31Å; F50-M101 HydrophobicContact CE2-CE 3.77Å; F50-M101 HydrophobicContact CE2-CG 4.4Å; F50-M101 HydrophobicContact CG-CE 3.58Å; F50-M101 HydrophobicContact CZ-CB 4.34Å; F50-M101 HydrophobicContact CZ-CE 4.03Å; F50-M101 HydrophobicContact CZ-CG 4.02Å; F50-M101 VanDerWaalsContact N-CE 3.29Å; F50-I105 HydrophobicContact CD1-CD1 3.98Å; F50-I105 HydrophobicContact CD1-CG1 4.47Å; F50-I105 HydrophobicContact CE1-CD1 4.09Å; F50-I105 HydrophobicContact CE1-CG1 4.27Å; F50-L231 HydrophobicContact CD2-CD2 4.42Å; F50-L231 HydrophobicContact CE2-CD2 4.02Å; F50-V266 HydrophobicContact CB-CG1 3.86Å; F50-V266 HydrophobicContact CB-CG2 3.87Å; F50-V266 HydrophobicContact CG-CG1 4.35Å; F50-L317 HydrophobicContact CD1-CD1 4.31Å; F50-L317 HydrophobicContact CE1-CB 4.15Å; F50-L317 HydrophobicContact CE1-CD1 4.28Å; F50-L317 HydrophobicContact CE1-CD2 4.39Å; F50-L317 HydrophobicContact CE2-CB 4.32Å; F50-L317 HydrophobicContact CZ-CB 3.82Å; F50-L318 HydrophobicContact CE2-CD2 4.28Å; F50-I321 HydrophobicContact CE2-CD1 4.38Å; F50-I321 HydrophobicContact CZ-CD1 4.03Å |
| 51 | V | 93.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 17 Ų | 17 | 8% | 0.079 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -57 | 180 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | A48 Y49 K55 V212 V266 | A48-V51 WeakPolarHBondContact O-CB 3.33Å; A48-V51 WeakPolarHBondContact O-CG2 3.32Å; A48-V51 PolarHBondContact O-N 2.91Å; A48-V51 VanDerWaalsContact O-N 3.09Å; Y49-V51 PolarHBondContact O-N 3Å; V51-K55 PolarHBondContact O-N 2.56Å; V51-V212 HydrophobicContact CB-CG2 4.48Å; V51-V212 HydrophobicContact CG1-CG2 3.93Å; V51-V212 HydrophobicContact CG2-CB 4.31Å; V51-V212 HydrophobicContact CG2-CG1 4.42Å; V51-V212 HydrophobicContact CG2-CG2 3.86Å; V51-V266 HydrophobicContact CG2-CG2 3.79Å |
| 52 | P | 95.2 | Very high | 92.4 | Very high | 13 Ų | 13 | 17.6 Ų | 17.6 | 8% | 0.084 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 174.1 | 24.5 | -33.8 | 0 | 0 | 0 | 112.7 | W37 Y49 I54 K55 L56 F180 | W37-P52 HydrophobicContact CD2-CB 4.47Å; W37-P52 HydrophobicContact CH2-CG 4.32Å; W37-P52 HydrophobicContact CZ2-CB 3.96Å; W37-P52 HydrophobicContact CZ2-CG 3.77Å; Y49-P52 VanDerWaalsContact O-CD 3.23Å; Y49-P52 WeakPolarHBondContact O-CD 3.46Å; Y49-P52 WeakPolarHBondContact O-CG 3.39Å; P52-I54 VanDerWaalsContact C-N 3.32Å; P52-I54 PolarHBondContact O-N 3.3Å; P52-K55 PolarHBondContact O-N 3.13Å; P52-K55 VanDerWaalsContact O-N 3.1Å; P52-L56 WeakPolarHBondContact O-CG 3.17Å; P52-L56 PolarHBondContact O-N 3.36Å; P52-F180 HydrophobicContact CB-CE1 3.75Å; P52-F180 HydrophobicContact CB-CZ 4.23Å |
| 53 | I | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.1 | -37.4 | -178.6 | -62.8 | -65 | 0 | 0 | 0 | 111.8 | W37 Y49 F50 L56 A57 I98 M101 F102 I105 | W37-I53 HydrophobicContact CE3-CD1 4.41Å; W37-I53 HydrophobicContact CH2-CD1 4.29Å; W37-I53 HydrophobicContact CZ3-CD1 3.74Å; Y49-I53 VanDerWaalsContact O-CG1 3.24Å; Y49-I53 WeakPolarHBondContact O-CG1 3.28Å; Y49-I53 PolarHBondContact O-N 3.03Å; F50-I53 PolarHBondContact O-N 3.25Å; I53-L56 HydrophobicContact CD1-CD1 4.46Å; I53-L56 PolarHBondContact O-N 3.16Å; I53-A57 WeakPolarHBondContact O-CB 3.31Å; I53-A57 PolarHBondContact O-N 3.41Å; I53-I98 HydrophobicContact CD1-CG1 4.26Å; I53-I98 HydrophobicContact CD1-CG2 3.92Å; I53-M101 HydrophobicContact CB-CE 4.39Å; I53-M101 HydrophobicContact CG1-CE 3.99Å; I53-M101 HydrophobicContact CG1-SD 4.26Å; I53-M101 HydrophobicContact CG2-CB 4.12Å; I53-F102 HydrophobicContact CD1-CD2 4.35Å; I53-F102 HydrophobicContact CD1-CE2 3.7Å; I53-F102 HydrophobicContact CD1-CZ 4Å; I53-F102 HydrophobicContact CG2-CD1 3.93Å; I53-F102 HydrophobicContact CG2-CD2 4.21Å; I53-F102 HydrophobicContact CG2-CE1 3.87Å; I53-F102 HydrophobicContact CG2-CE2 4.17Å; I53-F102 HydrophobicContact CG2-CG 4.11Å; I53-F102 HydrophobicContact CG2-CZ 4Å; I53-I105 HydrophobicContact CG2-CD1 3.63Å |
| 54 | I | 95.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.5 | -36.2 | 174.8 | -74.1 | 168.1 | 0 | 0 | 0 | 111.6 | F50 P52 A57 D58 I105 V266 P269 L270 | F50-I54 HydrophobicContact CB-CD1 4.18Å; F50-I54 HydrophobicContact CD1-CD1 4.44Å; F50-I54 WeakPolarHBondContact O-CB 3.49Å; F50-I54 WeakPolarHBondContact O-CD1 3.42Å; F50-I54 WeakPolarHBondContact O-CG1 3.18Å; F50-I54 PolarHBondContact O-N 2.75Å; P52-I54 VanDerWaalsContact C-N 3.32Å; P52-I54 PolarHBondContact O-N 3.3Å; I54-A57 WeakPolarHBondContact O-CB 3.25Å; I54-A57 PolarHBondContact O-N 3.3Å; I54-D58 PolarHBondContact O-N 3.23Å; I54-I105 HydrophobicContact CG1-CD1 3.78Å; I54-I105 HydrophobicContact CG1-CG1 4.45Å; I54-V266 HydrophobicContact CD1-CB 4.19Å; I54-V266 HydrophobicContact CD1-CG1 3.9Å; I54-V266 HydrophobicContact CD1-CG2 4.45Å; I54-V266 WeakPolarHBondContact CD1-O 3.32Å; I54-P269 HydrophobicContact CG2-CB 3.55Å; I54-P269 HydrophobicContact CG2-CG 4.2Å; I54-L270 HydrophobicContact CD1-CD1 3.85Å; I54-L270 HydrophobicContact CD1-CD2 4.43Å; I54-L270 HydrophobicContact CD1-CG 4.07Å; I54-L270 HydrophobicContact CG1-CD1 4.36Å; I54-L270 HydrophobicContact CG1-CD2 4.23Å; I54-L270 HydrophobicContact CG1-CG 4.42Å |
| 55 | K | 95.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 17 Ų | 17 | 5% | 0.048 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.9 | -36.2 | 173.9 | -177.4 | 44.3 | 52.8 | -168.6 | 0 | 112 | L8 I9 R11 L13 V51 P52 D58 M59 F180 | L8-K55 PolarHBondContact O-NZ 3.44Å; I9-K55 WeakPolarHBondContact O-CD 3.32Å; I9-K55 WeakPolarHBondContact O-CE 3.29Å; I9-K55 PolarHBondContact O-NZ 2.8Å; R11-K55 WeakPolarHBondContact O-CE 3.41Å; R11-K55 PolarHBondContact O-NZ 2.68Å; L13-K55 HydrophobicContact CD2-CD 4.06Å; L13-K55 HydrophobicContact CD2-CG 4.05Å; V51-K55 PolarHBondContact O-N 2.56Å; P52-K55 PolarHBondContact O-N 3.13Å; P52-K55 VanDerWaalsContact O-N 3.1Å; K55-D58 IonicContact NZ-OD2 3.11Å; K55-D58 PolarHBondContact NZ-OD2 3.47Å; K55-D58 WeakPolarHBondContact O-CB 3.5Å; K55-D58 PolarHBondContact O-N 3.36Å; K55-M59 HydrophobicContact CD-CE 3.83Å; K55-M59 HydrophobicContact CG-CE 3.89Å; K55-M59 WeakPolarHBondContact O-CG 3.44Å; K55-M59 PolarHBondContact O-N 2.94Å; K55-M59 VanDerWaalsContact O-N 3.14Å; K55-F180 HydrophobicContact CB-CE1 4.03Å; K55-F180 HydrophobicContact CB-CE2 4.26Å; K55-F180 HydrophobicContact CB-CZ 3.64Å; K55-F180 HydrophobicContact CG-CD2 4.18Å; K55-F180 HydrophobicContact CG-CE1 3.99Å; K55-F180 HydrophobicContact CG-CE2 3.52Å; K55-F180 HydrophobicContact CG-CZ 3.42Å; K55-F180 VanDerWaalsContact CG-CZ 3.42Å |
| 56 | L | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.6 | -36.5 | 170 | -65.5 | 179.7 | 0 | 0 | 0 | 112.3 | W37 P52 I53 D58 M59 L60 V66 V68 F102 F180 | W37-L56 HydrophobicContact CB-CD1 3.87Å; W37-L56 HydrophobicContact CB-CD2 4.1Å; W37-L56 HydrophobicContact CB-CG 4.49Å; W37-L56 HydrophobicContact CD2-CD1 3.99Å; W37-L56 HydrophobicContact CE3-CD1 3.61Å; W37-L56 HydrophobicContact CG-CD1 4.12Å; W37-L56 HydrophobicContact CZ3-CD1 4.47Å; P52-L56 WeakPolarHBondContact O-CG 3.17Å; P52-L56 PolarHBondContact O-N 3.36Å; I53-L56 HydrophobicContact CD1-CD1 4.46Å; I53-L56 PolarHBondContact O-N 3.16Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 2.61Å; L56-M59 HydrophobicContact CD2-SD 3.88Å; L56-M59 WeakPolarHBondContact O-CB 3.23Å; L56-M59 PolarHBondContact O-N 2.95Å; L56-L60 WeakPolarHBondContact O-CG 3.45Å; L56-L60 PolarHBondContact O-N 3.44Å; L56-V66 HydrophobicContact CB-CG1 4.26Å; L56-V66 HydrophobicContact CD1-CG1 4.29Å; L56-V66 HydrophobicContact CD2-CG1 3.82Å; L56-V66 HydrophobicContact CG-CG1 4.35Å; L56-V68 HydrophobicContact CD1-CG2 3.89Å; L56-F102 HydrophobicContact CB-CE1 4.05Å; L56-F102 HydrophobicContact CB-CZ 3.77Å; L56-F102 HydrophobicContact CD1-CZ 4.1Å; L56-F180 HydrophobicContact CD2-CD1 3.74Å; L56-F180 HydrophobicContact CD2-CE1 4.33Å; L56-F180 HydrophobicContact CG-CD1 4.2Å; L56-F180 HydrophobicContact CG-CE1 4.32Å |
| 57 | A | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.3 | -34.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I53 I54 K61 F102 I105 V107 | I53-A57 WeakPolarHBondContact O-CB 3.31Å; I53-A57 PolarHBondContact O-N 3.41Å; I54-A57 WeakPolarHBondContact O-CB 3.25Å; I54-A57 PolarHBondContact O-N 3.3Å; A57-K61 WeakPolarHBondContact O-CD 3.36Å; A57-K61 VanDerWaalsContact O-CG 3.23Å; A57-K61 WeakPolarHBondContact O-CG 3.46Å; A57-K61 PolarHBondContact O-N 2.93Å; A57-K61 VanDerWaalsContact O-N 3.16Å; A57-F102 HydrophobicContact CB-CE1 4.45Å; A57-I105 HydrophobicContact CB-CG2 3.73Å; A57-V107 HydrophobicContact CB-CG1 3.93Å; A57-V107 HydrophobicContact CB-CG2 3.95Å |
| 58 | D | 93.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 168.6 | -78.6 | -9.6 | 0 | 0 | 0 | 112 | L8 R11 I54 K55 L56 K61 T62 | L8-D58 HydrophobicContact CD1-CB 4.09Å; L8-D58 HydrophobicContact CG-CB 4.06Å; R11-D58 IonicContact CZ-OD1 3.46Å; R11-D58 IonicContact CZ-OD2 3.81Å; R11-D58 IonicContact NE-OD1 3.69Å; R11-D58 IonicContact NE-OD2 3.8Å; R11-D58 PolarHBondContact NE-OD2 2.82Å; R11-D58 IonicContact NH2-OD1 2.9Å; R11-D58 PolarHBondContact NH2-OD1 3.14Å; R11-D58 IonicContact NH2-OD2 3.38Å; R11-D58 PolarHBondContact NH2-OD2 3.49Å; I54-D58 PolarHBondContact O-N 3.23Å; K55-D58 IonicContact NZ-OD2 3.11Å; K55-D58 PolarHBondContact NZ-OD2 3.47Å; K55-D58 WeakPolarHBondContact O-CB 3.5Å; K55-D58 PolarHBondContact O-N 3.36Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 2.61Å; D58-K61 WeakPolarHBondContact O-CB 3.41Å; D58-K61 PolarHBondContact O-N 3.24Å; D58-K61 IonicContact OD1-NZ 3.6Å; D58-T62 PolarHBondContact O-N 3.2Å |
| 59 | M | 93.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 178.3 | -66.7 | 164.7 | -178.4 | 0 | 0 | 111.6 | I9 V35 K55 L56 K61 T62 A64 V66 F180 L207 | I9-M59 HydrophobicContact CG1-CG 4.38Å; I9-M59 HydrophobicContact CG2-CE 4.47Å; V35-M59 HydrophobicContact CB-SD 4.35Å; V35-M59 HydrophobicContact CG1-CE 4.49Å; V35-M59 HydrophobicContact CG1-SD 3.82Å; V35-M59 HydrophobicContact CG2-SD 4.19Å; K55-M59 HydrophobicContact CD-CE 3.83Å; K55-M59 HydrophobicContact CG-CE 3.89Å; K55-M59 WeakPolarHBondContact O-CG 3.44Å; K55-M59 PolarHBondContact O-N 2.94Å; K55-M59 VanDerWaalsContact O-N 3.14Å; L56-M59 HydrophobicContact CD2-SD 3.88Å; L56-M59 WeakPolarHBondContact O-CB 3.23Å; L56-M59 PolarHBondContact O-N 2.95Å; M59-K61 VanDerWaalsContact C-N 3.3Å; M59-K61 PolarHBondContact O-N 3.45Å; M59-T62 PolarHBondContact O-N 3.14Å; M59-T62 PolarHBondContact O-OG1 3.48Å; M59-A64 HydrophobicContact CB-CB 4.27Å; M59-A64 WeakPolarHBondContact O-CB 3.4Å; M59-A64 PolarHBondContact O-N 2.88Å; M59-V66 HydrophobicContact CB-CG2 4.01Å; M59-F180 HydrophobicContact CE-CB 4.34Å; M59-F180 HydrophobicContact CE-CD2 4.18Å; M59-F180 HydrophobicContact CE-CG 4.14Å; M59-L207 HydrophobicContact CE-CD1 3.54Å |
| 60 | L | 93.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 5% | 0.047 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -55.3 | -43.2 | 174 | -74.2 | 169.3 | 0 | 0 | 0 | 111.8 | L56 T62 G63 V66 F102 V107 R111 L112 | L56-L60 WeakPolarHBondContact O-CG 3.45Å; L56-L60 PolarHBondContact O-N 3.44Å; L60-T62 PolarHBondContact O-N 3.35Å; L60-G63 WeakPolarHBondContact O-CA 3.47Å; L60-G63 PolarHBondContact O-N 2.93Å; L60-V66 HydrophobicContact CD2-CB 3.97Å; L60-V66 HydrophobicContact CD2-CG2 3.92Å; L60-V66 HydrophobicContact CG-CB 4.28Å; L60-V66 HydrophobicContact CG-CG2 3.94Å; L60-F102 HydrophobicContact CD1-CD1 4.16Å; L60-F102 HydrophobicContact CD1-CE1 3.77Å; L60-F102 HydrophobicContact CD1-CZ 4.5Å; L60-V107 HydrophobicContact CD1-CG2 4.28Å; L60-R111 HydrophobicContact CD2-CB 4.01Å; L60-L112 HydrophobicContact CD1-CB 4.35Å; L60-L112 HydrophobicContact CD2-CB 4.25Å |
| 61 | K | 90.8 | Very high | 94.6 | Very high | 95 Ų | 95 | 14 Ų | 14 | 41% | 0.413 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -60.6 | -23.9 | 176.1 | -71.2 | 163.9 | -166.4 | 166.9 | 0 | 113.9 | L8 A57 D58 M59 G63 V107 | L8-K61 HydrophobicContact CD2-CB 3.79Å; A57-K61 WeakPolarHBondContact O-CD 3.36Å; A57-K61 VanDerWaalsContact O-CG 3.23Å; A57-K61 WeakPolarHBondContact O-CG 3.46Å; A57-K61 PolarHBondContact O-N 2.93Å; A57-K61 VanDerWaalsContact O-N 3.16Å; D58-K61 WeakPolarHBondContact O-CB 3.41Å; D58-K61 PolarHBondContact O-N 3.24Å; D58-K61 IonicContact OD1-NZ 3.6Å; M59-K61 VanDerWaalsContact C-N 3.3Å; M59-K61 PolarHBondContact O-N 3.45Å; K61-G63 VanDerWaalsContact C-N 3.3Å; K61-V107 HydrophobicContact CD-CG1 4.25Å; K61-V107 HydrophobicContact CG-CG1 3.98Å |
| 62 | T | 89.6 | Confident | 94.5 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 7% | 0.074 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.7 | 173.2 | 71.3 | 0 | 0 | 0 | 0 | 114 | K5 L8 I9 D58 M59 L60 | K5-T62 HydrophobicContact CB-CG2 3.99Å; K5-T62 WeakPolarHBondContact CE-O 3.37Å; K5-T62 HydrophobicContact CG-CG2 4.22Å; K5-T62 PolarHBondContact NZ-O 3.05Å; L8-T62 HydrophobicContact CB-CG2 4.05Å; L8-T62 HydrophobicContact CD2-CG2 3.91Å; L8-T62 HydrophobicContact CG-CG2 4.21Å; I9-T62 HydrophobicContact CD1-CG2 4.29Å; I9-T62 HydrophobicContact CG1-CG2 4.03Å; D58-T62 PolarHBondContact O-N 3.2Å; M59-T62 PolarHBondContact O-N 3.14Å; M59-T62 PolarHBondContact O-OG1 3.48Å; L60-T62 PolarHBondContact O-N 3.35Å |
| 63 | G | 89.7 | Confident | 94.2 | Very high | 22 Ų | 22 | 12.9 Ų | 12.9 | 23% | 0.227 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 13.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L60 K61 R111 | L60-G63 WeakPolarHBondContact O-CA 3.47Å; L60-G63 PolarHBondContact O-N 2.93Å; K61-G63 VanDerWaalsContact C-N 3.3Å; G63-R111 VanDerWaalsContact O-CD 3.31Å; G63-R111 WeakPolarHBondContact O-CD 3.12Å; G63-R111 PolarHBondContact O-NH1 2.89Å |
| 64 | A | 92.7 | Very high | 94 | Very high | 2 Ų | 2 | 13 Ų | 13 | 2% | 0.017 | 7% | 0.067 | C | C | . | . | trans | -65 | 148.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V33 V35 M59 R111 | V33-A64 HydrophobicContact CB-CB 4.32Å; V33-A64 WeakPolarHBondContact O-CA 3.35Å; V35-A64 HydrophobicContact CG2-CB 4.45Å; M59-A64 HydrophobicContact CB-CB 4.27Å; M59-A64 WeakPolarHBondContact O-CB 3.4Å; M59-A64 PolarHBondContact O-N 2.88Å; A64-R111 WeakPolarHBondContact O-CB 3.44Å | ||
| 65 | K | 95.5 | Very high | 93.7 | Very high | 89 Ų | 89 | 12.8 Ų | 12.8 | 39% | 0.387 | 7% | 0.066 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 121.2 | 166.6 | -174.2 | -172.2 | 178.6 | -171 | 0 | 108.2 | V33 V35 H113 | V33-K65 PolarHBondContact O-N 3.32Å; V35-K65 PolarHBondContact N-O 3.13Å; K65-H113 WeakPolarHBondContact CE-CD2 3.22Å; K65-H113 VanDerWaalsContact CE-NE2 3.29Å; K65-H113 WeakPolarHBondContact CE-NE2 3.33Å |
| 66 | V | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.9 | -178.9 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | V35 L56 M59 L60 R111 L112 H113 | V35-V66 WeakPolarHBondContact O-CA 3.17Å; L56-V66 HydrophobicContact CB-CG1 4.26Å; L56-V66 HydrophobicContact CD1-CG1 4.29Å; L56-V66 HydrophobicContact CD2-CG1 3.82Å; L56-V66 HydrophobicContact CG-CG1 4.35Å; M59-V66 HydrophobicContact CB-CG2 4.01Å; L60-V66 HydrophobicContact CD2-CB 3.97Å; L60-V66 HydrophobicContact CD2-CG2 3.92Å; L60-V66 HydrophobicContact CG-CB 4.28Å; L60-V66 HydrophobicContact CG-CG2 3.94Å; V66-R111 PolarHBondContact N-O 3.12Å; V66-L112 HydrophobicContact CB-CD1 4.35Å; V66-L112 HydrophobicContact CG1-CD1 3.89Å; V66-L112 WeakPolarHBondContact O-CA 3.39Å; V66-H113 PolarHBondContact O-N 3.28Å |
| 67 | T | 98 | Very high | 92.8 | Very high | 9 Ų | 9 | 12.2 Ų | 12.2 | 6% | 0.055 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.2 | 169.9 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | V35 Y36 W37 H113 V115 L174 | V35-T67 PolarHBondContact O-N 2.71Å; Y36-T67 CarbonylContact C-O 3.51Å; Y36-T67 WeakPolarHBondContact CA-O 3.49Å; Y36-T67 WeakPolarHBondContact CB-O 3.23Å; W37-T67 PolarHBondContact N-O 3.18Å; T67-H113 CarbonylContact C-O 3.44Å; T67-H113 WeakPolarHBondContact CA-O 3.47Å; T67-V115 HydrophobicContact CG2-CB 4.2Å; T67-V115 HydrophobicContact CG2-CG2 3.77Å; T67-L174 HydrophobicContact CG2-CD1 4.47Å |
| 68 | V | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.1 | 162 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | W37 T39 L56 F70 L112 H113 F114 V115 | W37-V68 HydrophobicContact CE3-CB 4.3Å; W37-V68 HydrophobicContact CE3-CG1 3.54Å; W37-V68 HydrophobicContact CE3-CG2 3.87Å; W37-V68 HydrophobicContact CZ3-CG1 3.79Å; W37-V68 HydrophobicContact CZ3-CG2 4.46Å; W37-V68 WeakPolarHBondContact O-CA 3.48Å; T39-V68 HydrophobicContact CG2-CG1 3.92Å; L56-V68 HydrophobicContact CD1-CG2 3.89Å; V68-F70 HydrophobicContact CG1-CD1 4.48Å; V68-F70 HydrophobicContact CG1-CE1 4.09Å; V68-L112 HydrophobicContact CG2-CD1 4.19Å; V68-H113 PolarHBondContact N-O 2.88Å; V68-F114 HydrophobicContact CB-CD1 3.86Å; V68-F114 HydrophobicContact CB-CE1 3.96Å; V68-F114 HydrophobicContact CG2-CD1 4.47Å; V68-F114 HydrophobicContact CG2-CE1 4.12Å; V68-V115 PolarHBondContact O-N 3.45Å; V68-V115 VanDerWaalsContact O-N 3.15Å |
| 69 | L | 98.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114.4 | 175.6 | 175.5 | 67.6 | 0 | 0 | 0 | 108.9 | Y36 W37 T39 A71 V115 Y120 D170 L174 | Y36-L69 HydrophobicContact CD2-CB 4.15Å; Y36-L69 HydrophobicContact CD2-CD2 4.36Å; Y36-L69 HydrophobicContact CE2-CD2 4.16Å; W37-L69 PolarHBondContact O-N 3.06Å; T39-L69 PolarHBondContact N-O 2.83Å; L69-A71 HydrophobicContact CG-CB 4.48Å; L69-A71 PolarHBondContact O-N 3.24Å; L69-A71 VanDerWaalsContact O-N 3.15Å; L69-V115 CarbonylContact C-O 3.56Å; L69-V115 WeakPolarHBondContact CA-O 3.47Å; L69-V115 HydrophobicContact CD1-CB 4.46Å; L69-V115 HydrophobicContact CD1-CG1 4.28Å; L69-Y120 HydrophobicContact CD1-CE1 3.83Å; L69-Y120 WeakPolarHBondContact CD1-OH 3.42Å; L69-D170 HydrophobicContact CD2-CB 4.1Å; L69-D170 WeakPolarHBondContact CD2-OD2 3.32Å; L69-L174 HydrophobicContact CB-CD1 4.22Å; L69-L174 HydrophobicContact CD1-CD1 4.46Å; L69-L174 HydrophobicContact CD2-CD1 4.18Å |
| 70 | F | 97.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.018 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 96.6 | 165.4 | -58.8 | -50.9 | 0 | 0 | 0 | 108.5 | T39 T41 V68 D72 T91 E95 I98 F114 V115 G117 | T39-F70 HydrophobicContact CG2-CD1 3.85Å; T39-F70 HydrophobicContact CG2-CE1 4.21Å; T41-F70 HydrophobicContact CG2-CB 3.95Å; T41-F70 HydrophobicContact CG2-CD1 4.19Å; T41-F70 HydrophobicContact CG2-CG 4.4Å; V68-F70 HydrophobicContact CG1-CD1 4.48Å; V68-F70 HydrophobicContact CG1-CE1 4.09Å; F70-D72 PolarHBondContact O-N 3.49Å; F70-T91 HydrophobicContact CB-CG2 3.67Å; F70-T91 HydrophobicContact CD2-CG2 3.81Å; F70-T91 HydrophobicContact CG-CG2 3.84Å; F70-E95 HydrophobicContact CE2-CB 3.71Å; F70-E95 HydrophobicContact CE2-CG 3.77Å; F70-E95 HydrophobicContact CZ-CB 3.67Å; F70-E95 HydrophobicContact CZ-CG 3.9Å; F70-I98 HydrophobicContact CE1-CD1 3.97Å; F70-F114 HydrophobicContact CE2-CB 3.8Å; F70-F114 AromaticContact CE2-CD1 3.98Å; F70-F114 HydrophobicContact CE2-CD1 3.98Å; F70-F114 AromaticContact CE2-CG 3.99Å; F70-F114 HydrophobicContact CE2-CG 3.99Å; F70-F114 HydrophobicContact CZ-CB 4.4Å; F70-F114 AromaticContact CZ-CD1 3.71Å; F70-F114 HydrophobicContact CZ-CD1 3.71Å; F70-F114 HydrophobicContact CZ-CE1 4.23Å; F70-F114 HydrophobicContact CZ-CG 4.11Å; F70-V115 PolarHBondContact N-O 2.98Å; F70-G117 PolarHBondContact O-N 3.22Å |
| 71 | A | 94.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 5% | 0.05 | 10% | 0.104 | C | C | . | . | trans | -80.9 | 69.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T39 L69 H74 A75 | T39-A71 PolarHBondContact O-N 3.25Å; L69-A71 HydrophobicContact CG-CB 4.48Å; L69-A71 PolarHBondContact O-N 3.24Å; L69-A71 VanDerWaalsContact O-N 3.15Å; A71-H74 HydrophobicContact CB-CB 3.83Å; A71-A75 WeakPolarHBondContact O-CB 3.4Å; A71-A75 PolarHBondContact O-N 3.27Å | ||
| 72 | D | 90.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -78.9 | -39.7 | -173.2 | 75.7 | -50.4 | 0 | 0 | 0 | 112.3 | F70 H74 A75 Y76 L87 R116 G117 A118 | F70-D72 PolarHBondContact O-N 3.49Å; D72-H74 VanDerWaalsContact C-N 3.3Å; D72-H74 PolarHBondContact O-N 2.77Å; D72-A75 WeakPolarHBondContact O-CB 3.43Å; D72-A75 PolarHBondContact O-N 2.9Å; D72-A75 VanDerWaalsContact O-N 3.15Å; D72-Y76 PolarHBondContact O-N 3.43Å; D72-Y76 VanDerWaalsContact O-N 3.13Å; D72-L87 HydrophobicContact CB-CB 4.46Å; D72-L87 HydrophobicContact CB-CD2 4.24Å; D72-L87 VanDerWaalsContact O-CD2 3.22Å; D72-L87 WeakPolarHBondContact O-CD2 3.29Å; D72-R116 HydrophobicContact CB-CG 4.45Å; D72-R116 VanDerWaalsContact OD1-CG 3.3Å; D72-R116 WeakPolarHBondContact OD1-CG 3.24Å; D72-R116 IonicContact OD1-NE 3.47Å; D72-R116 IonicContact OD2-CZ 3.45Å; D72-R116 IonicContact OD2-NE 3.87Å; D72-R116 PolarHBondContact OD2-NE 3.12Å; D72-R116 IonicContact OD2-NH2 2.85Å; D72-R116 PolarHBondContact OD2-NH2 2.81Å; D72-G117 PolarHBondContact OD1-N 3.5Å; D72-A118 PolarHBondContact OD1-N 2.72Å |
| 73 | L | 89.6 | Confident | 89.4 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 169 | -178.6 | 61.5 | 0 | 0 | 0 | 111.2 | Y76 L77 W84 Q121 L166 Y508 | L73-Y76 WeakPolarHBondContact O-CB 3.38Å; L73-Y76 PolarHBondContact O-N 3.41Å; L73-L77 HydrophobicContact CD1-CD1 4.4Å; L73-L77 HydrophobicContact CG-CD1 3.93Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.04Å; L73-W84 HydrophobicContact CD1-CH2 4.31Å; L73-W84 HydrophobicContact CD1-CZ3 4.03Å; L73-Q121 HydrophobicContact CD2-CB 3.77Å; L73-L166 HydrophobicContact CD2-CD1 4.24Å; L73-Y508 HydrophobicContact CD1-CD2 3.91Å; L73-Y508 HydrophobicContact CD1-CG 4.19Å; L73-Y508 HydrophobicContact CD2-CD2 3.74Å; L73-Y508 HydrophobicContact CD2-CE2 3.66Å; L73-Y508 HydrophobicContact CD2-CG 4.44Å; L73-Y508 HydrophobicContact CG-CD2 4.39Å |
| 74 | H | 90.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 172.1 | -70 | 84 | 0 | 0 | 0 | 112.9 | A71 D72 Y76 L77 D78 Q121 Y163 L166 Q167 D170 | A71-H74 HydrophobicContact CB-CB 3.83Å; D72-H74 VanDerWaalsContact C-N 3.3Å; D72-H74 PolarHBondContact O-N 2.77Å; H74-Y76 PolarHBondContact O-N 3.19Å; H74-L77 PolarHBondContact O-N 3.49Å; H74-D78 WeakPolarHBondContact O-CB 3.41Å; H74-D78 PolarHBondContact O-N 3.18Å; H74-Q121 PolarHBondContact CE1-NE2 3.24Å; H74-Y163 HydrophobicContact CB-CD2 4.13Å; H74-Y163 HydrophobicContact CB-CE2 3.58Å; H74-Y163 AromaticContact CD2-CD1 3.92Å; H74-Y163 AromaticContact CD2-CD2 3.8Å; H74-Y163 AromaticContact CD2-CE1 3.83Å; H74-Y163 AromaticContact CD2-CE2 3.74Å; H74-Y163 AromaticContact CD2-CG 3.88Å; H74-Y163 AromaticContact CD2-CZ 3.74Å; H74-Y163 PolarHBondContact NE2-O 2.86Å; H74-L166 WeakPolarHBondContact NE2-CB 3.43Å; H74-Q167 WeakPolarHBondContact NE2-CA 3.39Å; H74-Q167 WeakPolarHBondContact NE2-CB 3.35Å; H74-Q167 PolarHBondContact NE2-N 2.62Å; H74-D170 IonicContact CE1-OD1 3.01Å; H74-D170 IonicContact CE1-OD2 2.67Å; H74-D170 PolarHBondContact CE1-OD2 3.04Å; H74-D170 IonicContact NE2-OD2 3.16Å |
| 75 | A | 88.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -21.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | A40 T42 A71 D72 K81 A82 L87 | A40-A75 HydrophobicContact CB-CB 4.18Å; T42-A75 HydrophobicContact CG2-CB 3.59Å; A71-A75 WeakPolarHBondContact O-CB 3.4Å; A71-A75 PolarHBondContact O-N 3.27Å; D72-A75 WeakPolarHBondContact O-CB 3.43Å; D72-A75 PolarHBondContact O-N 2.9Å; D72-A75 VanDerWaalsContact O-N 3.15Å; A75-K81 PolarHBondContact O-N 2.89Å; A75-A82 HydrophobicContact CB-CB 4.11Å; A75-A82 PolarHBondContact O-N 3.43Å; A75-L87 HydrophobicContact CB-CD2 4.28Å |
| 76 | Y | 87.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -87.4 | -45.9 | 170.8 | 173.6 | -111.9 | 0 | 0 | 0 | 112.5 | D72 L73 H74 D78 M80 W84 M357 R509 | D72-Y76 PolarHBondContact O-N 3.43Å; D72-Y76 VanDerWaalsContact O-N 3.13Å; L73-Y76 WeakPolarHBondContact O-CB 3.38Å; L73-Y76 PolarHBondContact O-N 3.41Å; H74-Y76 PolarHBondContact O-N 3.19Å; Y76-D78 VanDerWaalsContact C-N 3.31Å; Y76-D78 PolarHBondContact O-N 2.74Å; Y76-M80 HydrophobicContact CD2-CB 4.4Å; Y76-M80 HydrophobicContact CD2-CG 3.93Å; Y76-M80 HydrophobicContact CE2-CB 4.39Å; Y76-M80 HydrophobicContact CE2-CG 3.57Å; Y76-M80 HydrophobicContact CE2-SD 3.75Å; Y76-M80 WeakPolarHBondContact O-CA 3.29Å; Y76-M80 PolarHBondContact O-N 3.34Å; Y76-W84 AromaticContact CD1-CE3 3.8Å; Y76-W84 HydrophobicContact CD1-CE3 3.8Å; Y76-W84 AromaticContact CD1-CZ3 3.89Å; Y76-W84 HydrophobicContact CD1-CZ3 3.89Å; Y76-W84 HydrophobicContact CD2-CE3 4.37Å; Y76-W84 HydrophobicContact CE1-CE3 4.17Å; Y76-W84 HydrophobicContact CE1-CZ3 4.44Å; Y76-W84 AromaticContact CG-CE3 3.92Å; Y76-W84 HydrophobicContact CG-CE3 3.92Å; Y76-W84 HydrophobicContact CG-CZ3 4.28Å; Y76-M357 HydrophobicContact CE2-CE 3.7Å; Y76-M357 WeakPolarHBondContact OH-CE 3.27Å; Y76-R509 HydrophobicContact CE1-CB 4.47Å; Y76-R509 HydrophobicContact CE1-CG 3.97Å; Y76-R509 WeakPolarHBondContact OH-CA 3.49Å |
| 77 | L | 86.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.5 | -34.8 | 179.2 | -72.8 | 163.8 | 0 | 0 | 0 | 113.1 | L73 H74 N79 S159 L166 Y508 V511 | L73-L77 HydrophobicContact CD1-CD1 4.4Å; L73-L77 HydrophobicContact CG-CD1 3.93Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.04Å; H74-L77 PolarHBondContact O-N 3.49Å; L77-N79 VanDerWaalsContact C-N 3.27Å; L77-N79 PolarHBondContact O-N 3.16Å; L77-S159 VanDerWaalsContact O-CB 3.24Å; L77-S159 WeakPolarHBondContact O-CB 3.46Å; L77-S159 PolarHBondContact O-OG 3.37Å; L77-L166 HydrophobicContact CD1-CD1 3.39Å; L77-Y508 HydrophobicContact CD2-CD1 4.32Å; L77-V511 HydrophobicContact CD2-CG2 4.08Å |
| 78 | D | 85 | Confident | 86.9 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 74 | 176.8 | -178.1 | 11.5 | 0 | 0 | 0 | 111.5 | H74 Y76 M80 K81 K151 Y163 | H74-D78 WeakPolarHBondContact O-CB 3.41Å; H74-D78 PolarHBondContact O-N 3.18Å; Y76-D78 VanDerWaalsContact C-N 3.31Å; Y76-D78 PolarHBondContact O-N 2.74Å; D78-M80 PolarHBondContact O-N 2.93Å; D78-K81 HydrophobicContact CB-CD 4.43Å; D78-K81 VanDerWaalsContact CG-CE 3.47Å; D78-K81 VanDerWaalsContact O-CG 3.24Å; D78-K81 WeakPolarHBondContact O-CG 3.36Å; D78-K81 PolarHBondContact O-N 2.79Å; D78-K81 VanDerWaalsContact OD1-CE 3.29Å; D78-K81 WeakPolarHBondContact OD1-CE 3.39Å; D78-K81 IonicContact OD1-NZ 2.67Å; D78-K81 PolarHBondContact OD1-NZ 3.42Å; D78-K81 VanDerWaalsContact OD1-NZ 3.08Å; D78-K81 WeakPolarHBondContact OD2-CD 3.33Å; D78-K81 VanDerWaalsContact OD2-CE 3.27Å; D78-K81 WeakPolarHBondContact OD2-CE 3.22Å; D78-K81 IonicContact OD2-NZ 2.82Å; D78-K81 PolarHBondContact OD2-NZ 3.25Å; D78-K151 WeakPolarHBondContact OD1-CB 3.47Å; D78-K151 PolarHBondContact OD1-N 2.9Å; D78-Y163 HydrophobicContact CB-CD2 4Å; D78-Y163 HydrophobicContact CB-CE2 3.81Å |
| 79 | N | 78.2 | Confident | 86.6 | Confident | 49 Ų | 49 | 26.8 Ų | 26.8 | 26% | 0.262 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.3 | 177.9 | -163.1 | 106.9 | 0 | 0 | 0 | 112.9 | L77 K81 K151 | L77-N79 VanDerWaalsContact C-N 3.27Å; L77-N79 PolarHBondContact O-N 3.16Å; N79-K81 PolarHBondContact O-N 2.9Å; N79-K81 VanDerWaalsContact O-N 3.09Å; N79-K151 HydrophobicContact CB-CB 4.29Å; N79-K151 HydrophobicContact CB-CD 3.86Å; N79-K151 PolarHBondContact ND2-NZ 2.76Å |
| 80 | M | 80.5 | Confident | 86.4 | Confident | 56 Ų | 56 | 28.3 Ų | 28.3 | 28% | 0.276 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 32.5 | 177.2 | -56.8 | -172.9 | -80.5 | 0 | 0 | 114.6 | Y76 D78 A82 L513 | Y76-M80 HydrophobicContact CD2-CB 4.4Å; Y76-M80 HydrophobicContact CD2-CG 3.93Å; Y76-M80 HydrophobicContact CE2-CB 4.39Å; Y76-M80 HydrophobicContact CE2-CG 3.57Å; Y76-M80 HydrophobicContact CE2-SD 3.75Å; Y76-M80 WeakPolarHBondContact O-CA 3.29Å; Y76-M80 PolarHBondContact O-N 3.34Å; D78-M80 PolarHBondContact O-N 2.93Å; M80-A82 CarbonylContact O-C 3.59Å; M80-A82 PolarHBondContact O-N 2.86Å; M80-L513 HydrophobicContact CE-CD2 3.67Å; M80-L513 HydrophobicContact SD-CD2 4.04Å |
| 81 | K | 78.6 | Confident | 86.3 | Confident | 81 Ų | 81 | 28.5 Ų | 28.5 | 35% | 0.352 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -52.3 | -29.1 | 176.8 | -78.6 | 170.7 | -170 | 177 | 0 | 112.9 | T42 A75 D78 N79 R90 | T42-K81 HydrophobicContact CG2-CB 3.63Å; T42-K81 HydrophobicContact CG2-CD 4.2Å; A75-K81 PolarHBondContact O-N 2.89Å; D78-K81 HydrophobicContact CB-CD 4.43Å; D78-K81 VanDerWaalsContact CG-CE 3.47Å; D78-K81 VanDerWaalsContact O-CG 3.24Å; D78-K81 WeakPolarHBondContact O-CG 3.36Å; D78-K81 PolarHBondContact O-N 2.79Å; D78-K81 VanDerWaalsContact OD1-CE 3.29Å; D78-K81 WeakPolarHBondContact OD1-CE 3.39Å; D78-K81 IonicContact OD1-NZ 2.67Å; D78-K81 PolarHBondContact OD1-NZ 3.42Å; D78-K81 VanDerWaalsContact OD1-NZ 3.08Å; D78-K81 WeakPolarHBondContact OD2-CD 3.33Å; D78-K81 VanDerWaalsContact OD2-CE 3.27Å; D78-K81 WeakPolarHBondContact OD2-CE 3.22Å; D78-K81 IonicContact OD2-NZ 2.82Å; D78-K81 PolarHBondContact OD2-NZ 3.25Å; N79-K81 PolarHBondContact O-N 2.9Å; N79-K81 VanDerWaalsContact O-N 3.09Å; K81-R90 PolarHBondContact O-NH1 3.32Å |
| 82 | A | 79.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -121.6 | 113.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A75 M80 L87 | A75-A82 HydrophobicContact CB-CB 4.11Å; A75-A82 PolarHBondContact O-N 3.43Å; M80-A82 CarbonylContact O-C 3.59Å; M80-A82 PolarHBondContact O-N 2.86Å; A82-L87 HydrophobicContact CB-CD2 3.56Å |
| 83 | P | 80.4 | Confident | 86.6 | Confident | 57 Ų | 57 | 33.4 Ų | 33.4 | 37% | 0.37 | 18% | 0.175 | S | C | . | . | trans | -59.5 | 148.8 | 170.9 | -25.7 | 35 | 0 | 0 | 0 | 112.3 | S85 L86 L87 | P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 2.82Å; P83-S85 VanDerWaalsContact O-N 3.13Å; P83-L86 PolarHBondContact O-N 2.9Å; P83-L87 PolarHBondContact O-N 3.1Å | ||
| 84 | W | 79.7 | Confident | 86.9 | Confident | 68 Ų | 68 | 33.4 Ų | 33.4 | 26% | 0.258 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -52.9 | -40.5 | -171.9 | -163.7 | -94.4 | 0 | 0 | 0 | 113.9 | L73 Y76 L86 L87 M357 L505 | L73-W84 HydrophobicContact CD1-CH2 4.31Å; L73-W84 HydrophobicContact CD1-CZ3 4.03Å; Y76-W84 AromaticContact CD1-CE3 3.8Å; Y76-W84 HydrophobicContact CD1-CE3 3.8Å; Y76-W84 AromaticContact CD1-CZ3 3.89Å; Y76-W84 HydrophobicContact CD1-CZ3 3.89Å; Y76-W84 HydrophobicContact CD2-CE3 4.37Å; Y76-W84 HydrophobicContact CE1-CE3 4.17Å; Y76-W84 HydrophobicContact CE1-CZ3 4.44Å; Y76-W84 AromaticContact CG-CE3 3.92Å; Y76-W84 HydrophobicContact CG-CE3 3.92Å; Y76-W84 HydrophobicContact CG-CZ3 4.28Å; W84-L86 VanDerWaalsContact C-N 3.27Å; W84-L86 PolarHBondContact O-N 2.6Å; W84-L87 HydrophobicContact CD2-CD1 3.82Å; W84-L87 HydrophobicContact CE3-CD1 3.47Å; W84-L87 VanDerWaalsContact CE3-CD1 3.47Å; W84-L87 HydrophobicContact CG-CD1 4.38Å; W84-L87 HydrophobicContact CH2-CD1 4.29Å; W84-L87 HydrophobicContact CZ3-CD1 3.74Å; W84-L87 PolarHBondContact O-N 2.86Å; W84-M357 HydrophobicContact CB-CE 4.22Å; W84-L505 HydrophobicContact CH2-CD1 3.25Å; W84-L505 HydrophobicContact CZ2-CD1 3.43Å; W84-L505 VanDerWaalsContact CZ2-CD1 3.43Å; W84-L505 HydrophobicContact CZ2-CD2 4.47Å; W84-L505 HydrophobicContact CZ3-CD1 3.88Å |
| 85 | S | 80.5 | Confident | 87.1 | Confident | 95 Ų | 95 | 36 Ų | 36 | 66% | 0.664 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -63.7 | -26.4 | 177.1 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | P83 | P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 2.82Å; P83-S85 VanDerWaalsContact O-N 3.13Å |
| 86 | L | 87.5 | Confident | 87.4 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -94.9 | -14.8 | -179.4 | -59.8 | -174.6 | 0 | 0 | 0 | 113.4 | P83 W84 C88 L89 R90 | P83-L86 PolarHBondContact O-N 2.9Å; W84-L86 VanDerWaalsContact C-N 3.27Å; W84-L86 PolarHBondContact O-N 2.6Å; L86-C88 PolarHBondContact O-N 3.25Å; L86-L89 HydrophobicContact CD2-CD1 4.27Å; L86-L89 PolarHBondContact O-N 3.47Å; L86-L89 VanDerWaalsContact O-N 3.15Å; L86-R90 HydrophobicContact CB-CG 4.47Å; L86-R90 WeakPolarHBondContact O-CG 3.42Å; L86-R90 PolarHBondContact O-N 3.46Å |
| 87 | L | 85.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53 | -48.9 | -176.8 | -70 | 179 | 0 | 0 | 0 | 113 | D72 A75 A82 P83 W84 T91 | D72-L87 HydrophobicContact CB-CB 4.46Å; D72-L87 HydrophobicContact CB-CD2 4.24Å; D72-L87 VanDerWaalsContact O-CD2 3.22Å; D72-L87 WeakPolarHBondContact O-CD2 3.29Å; A75-L87 HydrophobicContact CB-CD2 4.28Å; A82-L87 HydrophobicContact CB-CD2 3.56Å; P83-L87 PolarHBondContact O-N 3.1Å; W84-L87 HydrophobicContact CD2-CD1 3.82Å; W84-L87 HydrophobicContact CE3-CD1 3.47Å; W84-L87 VanDerWaalsContact CE3-CD1 3.47Å; W84-L87 HydrophobicContact CG-CD1 4.38Å; W84-L87 HydrophobicContact CH2-CD1 4.29Å; W84-L87 HydrophobicContact CZ3-CD1 3.74Å; W84-L87 PolarHBondContact O-N 2.86Å; L87-T91 WeakPolarHBondContact O-CB 3.44Å; L87-T91 PolarHBondContact O-N 2.98Å; L87-T91 PolarHBondContact O-OG1 3.3Å |
| 88 | C | 88.1 | Confident | 88.2 | Confident | 53 Ų | 53 | 36.9 Ų | 36.9 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.4 | -40.1 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | L86 K92 | L86-C88 PolarHBondContact O-N 3.25Å; C88-K92 WeakPolarHBondContact O-CG 3.34Å; C88-K92 PolarHBondContact O-N 3.27Å |
| 89 | L | 92.4 | Very high | 88.7 | Confident | 51 Ų | 51 | 40.5 Ų | 40.5 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.6 | -46.6 | 179.7 | -64.1 | 172 | 0 | 0 | 0 | 111.5 | L86 K92 Y93 L333 N336 A337 | L86-L89 HydrophobicContact CD2-CD1 4.27Å; L86-L89 PolarHBondContact O-N 3.47Å; L86-L89 VanDerWaalsContact O-N 3.15Å; L89-K92 PolarHBondContact O-N 3.11Å; L89-Y93 PolarHBondContact O-N 3.23Å; L89-L333 HydrophobicContact CB-CD1 4.45Å; L89-L333 HydrophobicContact CD2-CD1 4.09Å; L89-N336 HydrophobicContact CD1-CB 4.18Å; L89-N336 WeakPolarHBondContact CD1-O 3.29Å; L89-A337 HydrophobicContact CB-CB 3.93Å |
| 90 | R | 93.6 | Very high | 89.4 | Confident | 32 Ų | 32 | 38.2 Ų | 38.2 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | 176.2 | -68.3 | -175.2 | -177.9 | 176 | 11.3 | 111.8 | T41 T42 K81 L86 Y93 Y94 A337 Y338 | T41-R90 WeakPolarHBondContact O-CB 3.45Å; T41-R90 WeakPolarHBondContact O-CD 3.33Å; T42-R90 WeakPolarHBondContact O-CD 3.4Å; T42-R90 PolarHBondContact O-NH1 2.84Å; K81-R90 PolarHBondContact O-NH1 3.32Å; L86-R90 HydrophobicContact CB-CG 4.47Å; L86-R90 WeakPolarHBondContact O-CG 3.42Å; L86-R90 PolarHBondContact O-N 3.46Å; R90-Y93 PolarHBondContact O-N 3.14Å; R90-Y94 WeakPolarHBondContact O-CB 3.42Å; R90-Y94 WeakPolarHBondContact O-CD2 3.49Å; R90-Y94 PolarHBondContact O-N 3.06Å; R90-A337 HydrophobicContact CG-CB 4Å; R90-A337 PolarHBondContact NE-O 2.94Å; R90-Y338 HydrophobicContact CG-CE1 4.12Å |
| 91 | T | 94 | Very high | 90.2 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -47.4 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | T41 F70 L87 Y93 Y94 E95 R116 | T41-T91 HydrophobicContact CG2-CG2 4.49Å; T41-T91 PolarHBondContact OG1-OG1 2.87Å; F70-T91 HydrophobicContact CB-CG2 3.67Å; F70-T91 HydrophobicContact CD2-CG2 3.81Å; F70-T91 HydrophobicContact CG-CG2 3.84Å; L87-T91 WeakPolarHBondContact O-CB 3.44Å; L87-T91 PolarHBondContact O-N 2.98Å; L87-T91 PolarHBondContact O-OG1 3.3Å; T91-Y93 VanDerWaalsContact C-N 3.3Å; T91-Y93 PolarHBondContact O-N 3.26Å; T91-Y94 PolarHBondContact O-N 2.82Å; T91-E95 WeakPolarHBondContact O-CB 3.23Å; T91-E95 PolarHBondContact O-N 2.97Å; T91-R116 HydrophobicContact CG2-CG 4.4Å |
| 92 | K | 94.7 | Very high | 90.9 | Very high | 109 Ų | 109 | 31.7 Ų | 31.7 | 47% | 0.474 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 174.4 | -74.4 | 170.4 | 178.1 | 176.2 | 0 | 112.8 | C88 L89 A96 L333 | C88-K92 WeakPolarHBondContact O-CG 3.34Å; C88-K92 PolarHBondContact O-N 3.27Å; L89-K92 PolarHBondContact O-N 3.11Å; K92-A96 WeakPolarHBondContact O-CB 3.28Å; K92-A96 PolarHBondContact O-N 3.28Å; K92-L333 HydrophobicContact CB-CD1 4.08Å; K92-L333 HydrophobicContact CB-CD2 4Å |
| 93 | Y | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -44.8 | 175.4 | 165.6 | -98 | 0 | 0 | 0 | 112.4 | R44 L89 R90 T91 E95 A96 V97 L232 F325 V334 Y338 | R44-Y93 HydrophobicContact CB-CE1 4.45Å; R44-Y93 HydrophobicContact CG-CE1 4.21Å; L89-Y93 PolarHBondContact O-N 3.23Å; R90-Y93 PolarHBondContact O-N 3.14Å; T91-Y93 VanDerWaalsContact C-N 3.3Å; T91-Y93 PolarHBondContact O-N 3.26Å; Y93-E95 VanDerWaalsContact C-N 3.31Å; Y93-E95 PolarHBondContact O-N 3.2Å; Y93-A96 PolarHBondContact O-N 3.26Å; Y93-V97 HydrophobicContact CD2-CG1 4.22Å; Y93-V97 HydrophobicContact CE1-CG1 4.45Å; Y93-V97 HydrophobicContact CE2-CG1 3.66Å; Y93-V97 PolarHBondContact O-N 3.02Å; Y93-L232 HydrophobicContact CE2-CD1 4.35Å; Y93-F325 AromaticContact CD2-CE1 3.78Å; Y93-F325 HydrophobicContact CD2-CE1 3.78Å; Y93-F325 AromaticContact CD2-CZ 3.85Å; Y93-F325 HydrophobicContact CD2-CZ 3.85Å; Y93-F325 AromaticContact CE2-CE1 3.84Å; Y93-F325 HydrophobicContact CE2-CE1 3.84Å; Y93-F325 AromaticContact CE2-CZ 3.9Å; Y93-F325 HydrophobicContact CE2-CZ 3.9Å; Y93-V334 HydrophobicContact CD2-CG2 3.69Å; Y93-V334 HydrophobicContact CE2-CG2 3.63Å; Y93-Y338 AromaticContact CD1-CE2 3.42Å; Y93-Y338 HydrophobicContact CD1-CE2 3.42Å; Y93-Y338 VanDerWaalsContact CD1-CE2 3.42Å; Y93-Y338 AromaticContact CD1-CZ 3.82Å; Y93-Y338 VanDerWaalsContact CD1-OH 3.3Å; Y93-Y338 WeakPolarHBondContact CD1-OH 3.16Å; Y93-Y338 HydrophobicContact CD2-CE2 4.5Å; Y93-Y338 AromaticContact CE1-CE2 3.5Å; Y93-Y338 HydrophobicContact CE1-CE2 3.5Å; Y93-Y338 VanDerWaalsContact CE1-CE2 3.5Å; Y93-Y338 AromaticContact CE1-CZ 3.85Å; Y93-Y338 WeakPolarHBondContact CE1-OH 3.46Å; Y93-Y338 AromaticContact CG-CE2 3.91Å; Y93-Y338 HydrophobicContact CG-CE2 3.91Å |
| 94 | Y | 96.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57 | -45.1 | 174 | -98.1 | -108.9 | 0 | 0 | 0 | 111.2 | T39 A40 T41 T42 G43 P45 Y49 R90 T91 V97 I98 | T39-Y94 HydrophobicContact CG2-CD1 4.14Å; T39-Y94 HydrophobicContact CG2-CE1 4.45Å; T39-Y94 WeakPolarHBondContact OG1-CE1 3.29Å; A40-Y94 PolarHBondContact O-OH 2.83Å; T41-Y94 HydrophobicContact CG2-CD1 4.1Å; T41-Y94 HydrophobicContact CG2-CD2 4.09Å; T41-Y94 HydrophobicContact CG2-CG 3.83Å; T42-Y94 PolarHBondContact N-OH 2.91Å; G43-Y94 WeakPolarHBondContact O-CE2 3.41Å; G43-Y94 PolarHBondContact O-OH 2.79Å; P45-Y94 HydrophobicContact CG-CD1 4.03Å; P45-Y94 HydrophobicContact CG-CD2 4.29Å; P45-Y94 HydrophobicContact CG-CE1 3.74Å; P45-Y94 HydrophobicContact CG-CE2 4.01Å; P45-Y94 HydrophobicContact CG-CG 4.32Å; Y49-Y94 AromaticContact CE1-CE1 3.95Å; Y49-Y94 HydrophobicContact CE1-CE1 3.95Å; Y49-Y94 PolarHBondContact OH-OH 3.33Å; R90-Y94 WeakPolarHBondContact O-CB 3.42Å; R90-Y94 WeakPolarHBondContact O-CD2 3.49Å; R90-Y94 PolarHBondContact O-N 3.06Å; T91-Y94 PolarHBondContact O-N 2.82Å; Y94-V97 WeakPolarHBondContact O-CG2 3.29Å; Y94-V97 PolarHBondContact O-N 2.86Å; Y94-I98 HydrophobicContact CD1-CD1 4.23Å; Y94-I98 VanDerWaalsContact O-CB 3.27Å; Y94-I98 WeakPolarHBondContact O-CB 3.34Å; Y94-I98 WeakPolarHBondContact O-CG1 2.94Å; Y94-I98 PolarHBondContact O-N 3.04Å |
| 95 | E | 95.9 | Very high | 92.7 | Very high | 58 Ų | 58 | 33 Ų | 33 | 27% | 0.271 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.9 | -168.4 | -169.2 | 151.9 | 0 | 0 | 112 | F70 T91 Y93 K99 F114 | F70-E95 HydrophobicContact CE2-CB 3.71Å; F70-E95 HydrophobicContact CE2-CG 3.77Å; F70-E95 HydrophobicContact CZ-CB 3.67Å; F70-E95 HydrophobicContact CZ-CG 3.9Å; T91-E95 WeakPolarHBondContact O-CB 3.23Å; T91-E95 PolarHBondContact O-N 2.97Å; Y93-E95 VanDerWaalsContact C-N 3.31Å; Y93-E95 PolarHBondContact O-N 3.2Å; E95-K99 HydrophobicContact CG-CD 4.17Å; E95-K99 VanDerWaalsContact O-CB 3.29Å; E95-K99 WeakPolarHBondContact O-CB 3.13Å; E95-K99 VanDerWaalsContact O-CG 3.24Å; E95-K99 WeakPolarHBondContact O-CG 3.46Å; E95-K99 PolarHBondContact O-N 2.9Å; E95-K99 VanDerWaalsContact OE1-CE 3.32Å; E95-K99 WeakPolarHBondContact OE1-CE 3.24Å; E95-K99 IonicContact OE1-NZ 3.25Å; E95-K99 PolarHBondContact OE1-NZ 3.24Å; E95-F114 HydrophobicContact CG-CD2 4.18Å; E95-F114 HydrophobicContact CG-CG 4.48Å |
| 96 | A | 95.3 | Very high | 93 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K92 Y93 K99 G100 F325 L330 | K92-A96 WeakPolarHBondContact O-CB 3.28Å; K92-A96 PolarHBondContact O-N 3.28Å; Y93-A96 PolarHBondContact O-N 3.26Å; A96-K99 PolarHBondContact O-N 2.63Å; A96-G100 PolarHBondContact O-N 3.36Å; A96-F325 HydrophobicContact CB-CE2 4.28Å; A96-F325 HydrophobicContact CB-CZ 3.87Å; A96-L330 HydrophobicContact CB-CD2 3.96Å |
| 97 | V | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | P45 Y93 Y94 K99 G100 M101 L231 I321 F325 | P45-V97 HydrophobicContact CB-CG2 4.49Å; P45-V97 HydrophobicContact CG-CG2 4.09Å; Y93-V97 HydrophobicContact CD2-CG1 4.22Å; Y93-V97 HydrophobicContact CE1-CG1 4.45Å; Y93-V97 HydrophobicContact CE2-CG1 3.66Å; Y93-V97 PolarHBondContact O-N 3.02Å; Y94-V97 WeakPolarHBondContact O-CG2 3.29Å; Y94-V97 PolarHBondContact O-N 2.86Å; V97-K99 PolarHBondContact O-N 3.28Å; V97-G100 WeakPolarHBondContact O-CA 3.47Å; V97-G100 PolarHBondContact O-N 3.18Å; V97-M101 VanDerWaalsContact O-CG 3.3Å; V97-M101 WeakPolarHBondContact O-CG 3.47Å; V97-M101 PolarHBondContact O-N 3.34Å; V97-L231 HydrophobicContact CB-CD1 4.02Å; V97-L231 HydrophobicContact CG2-CD1 4.2Å; V97-I321 HydrophobicContact CG1-CG2 4.41Å; V97-F325 HydrophobicContact CG1-CE2 3.61Å; V97-F325 HydrophobicContact CG1-CZ 3.61Å |
| 98 | I | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -37.3 | 178.5 | -74.6 | 163.9 | 0 | 0 | 0 | 111.2 | W37 T39 I53 F70 Y94 G100 M101 F102 F114 | W37-I98 HydrophobicContact CH2-CD1 4.37Å; W37-I98 HydrophobicContact CZ3-CD1 4.05Å; T39-I98 HydrophobicContact CG2-CD1 4.19Å; I53-I98 HydrophobicContact CD1-CG1 4.26Å; I53-I98 HydrophobicContact CD1-CG2 3.92Å; F70-I98 HydrophobicContact CE1-CD1 3.97Å; Y94-I98 HydrophobicContact CD1-CD1 4.23Å; Y94-I98 VanDerWaalsContact O-CB 3.27Å; Y94-I98 WeakPolarHBondContact O-CB 3.34Å; Y94-I98 WeakPolarHBondContact O-CG1 2.94Å; Y94-I98 PolarHBondContact O-N 3.04Å; I98-G100 VanDerWaalsContact C-N 3.33Å; I98-G100 PolarHBondContact O-N 2.89Å; I98-M101 PolarHBondContact O-N 3.07Å; I98-F102 HydrophobicContact CG2-CD2 3.75Å; I98-F102 HydrophobicContact CG2-CE2 3.74Å; I98-F102 WeakPolarHBondContact O-CD2 3.39Å; I98-F102 PolarHBondContact O-N 3.33Å; I98-F114 HydrophobicContact CG2-CE1 3.92Å; I98-F114 HydrophobicContact CG2-CZ 4.1Å |
| 99 | K | 93.7 | Very high | 93 | Very high | 83 Ų | 83 | 37.6 Ų | 37.6 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 169.2 | -79.5 | 173 | 171.1 | 176.1 | 0 | 112.9 | E95 A96 V97 R103 F114 | E95-K99 HydrophobicContact CG-CD 4.17Å; E95-K99 VanDerWaalsContact O-CB 3.29Å; E95-K99 WeakPolarHBondContact O-CB 3.13Å; E95-K99 VanDerWaalsContact O-CG 3.24Å; E95-K99 WeakPolarHBondContact O-CG 3.46Å; E95-K99 PolarHBondContact O-N 2.9Å; E95-K99 VanDerWaalsContact OE1-CE 3.32Å; E95-K99 WeakPolarHBondContact OE1-CE 3.24Å; E95-K99 IonicContact OE1-NZ 3.25Å; E95-K99 PolarHBondContact OE1-NZ 3.24Å; A96-K99 PolarHBondContact O-N 2.63Å; V97-K99 PolarHBondContact O-N 3.28Å; K99-R103 WeakPolarHBondContact O-CG 3.45Å; K99-R103 PolarHBondContact O-N 3.11Å; K99-R103 PolarHBondContact O-NE 3.18Å; K99-R103 VanDerWaalsContact O-NE 3.16Å; K99-F114 HydrophobicContact CD-CE2 4.17Å; K99-F114 VanDerWaalsContact CE-CE2 3.47Å; K99-F114 HydrophobicContact CG-CE2 3.63Å; K99-F114 HydrophobicContact CG-CZ 4.07Å |
| 100 | G | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A96 V97 I98 F102 R103 S104 | A96-G100 PolarHBondContact O-N 3.36Å; V97-G100 WeakPolarHBondContact O-CA 3.47Å; V97-G100 PolarHBondContact O-N 3.18Å; I98-G100 VanDerWaalsContact C-N 3.33Å; I98-G100 PolarHBondContact O-N 2.89Å; G100-F102 PolarHBondContact O-N 2.95Å; G100-R103 WeakPolarHBondContact O-CB 3.11Å; G100-R103 PolarHBondContact O-N 3.04Å; G100-R103 VanDerWaalsContact O-N 3.14Å; G100-S104 PolarHBondContact O-N 3.37Å |
| 101 | M | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 179 | -64.5 | 174.8 | 79.5 | 0 | 0 | 112.7 | F50 I53 V97 I98 R103 S104 I105 L231 I321 | F50-M101 HydrophobicContact CB-CE 4.17Å; F50-M101 HydrophobicContact CD1-CE 3.87Å; F50-M101 HydrophobicContact CD2-CE 3.53Å; F50-M101 HydrophobicContact CE1-CB 4.18Å; F50-M101 HydrophobicContact CE1-CE 4.08Å; F50-M101 HydrophobicContact CE1-CG 4.31Å; F50-M101 HydrophobicContact CE2-CE 3.77Å; F50-M101 HydrophobicContact CE2-CG 4.4Å; F50-M101 HydrophobicContact CG-CE 3.58Å; F50-M101 HydrophobicContact CZ-CB 4.34Å; F50-M101 HydrophobicContact CZ-CE 4.03Å; F50-M101 HydrophobicContact CZ-CG 4.02Å; F50-M101 VanDerWaalsContact N-CE 3.29Å; I53-M101 HydrophobicContact CB-CE 4.39Å; I53-M101 HydrophobicContact CG1-CE 3.99Å; I53-M101 HydrophobicContact CG1-SD 4.26Å; I53-M101 HydrophobicContact CG2-CB 4.12Å; V97-M101 VanDerWaalsContact O-CG 3.3Å; V97-M101 WeakPolarHBondContact O-CG 3.47Å; V97-M101 PolarHBondContact O-N 3.34Å; I98-M101 PolarHBondContact O-N 3.07Å; M101-R103 VanDerWaalsContact C-N 3.29Å; M101-R103 PolarHBondContact O-N 3.33Å; M101-S104 PolarHBondContact O-N 3.49Å; M101-S104 PolarHBondContact O-OG 2.95Å; M101-S104 VanDerWaalsContact O-OG 3.06Å; M101-I105 WeakPolarHBondContact O-CD1 3.36Å; M101-I105 WeakPolarHBondContact O-CG1 3.4Å; M101-I105 PolarHBondContact O-N 3.34Å; M101-L231 HydrophobicContact CE-CD2 4.44Å; M101-L231 HydrophobicContact CG-CD1 4.35Å; M101-L231 HydrophobicContact SD-CD1 3.65Å; M101-I321 HydrophobicContact CB-CD1 4.42Å; M101-I321 HydrophobicContact CG-CD1 3.49Å; M101-I321 VanDerWaalsContact CG-CD1 3.49Å; M101-I321 HydrophobicContact CG-CG1 4.47Å |
| 102 | F | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -32.1 | 175.8 | -85.7 | -66.2 | 0 | 0 | 0 | 112.8 | I53 L56 A57 L60 I98 G100 C106 V107 L109 L112 | I53-F102 HydrophobicContact CD1-CD2 4.35Å; I53-F102 HydrophobicContact CD1-CE2 3.7Å; I53-F102 HydrophobicContact CD1-CZ 4Å; I53-F102 HydrophobicContact CG2-CD1 3.93Å; I53-F102 HydrophobicContact CG2-CD2 4.21Å; I53-F102 HydrophobicContact CG2-CE1 3.87Å; I53-F102 HydrophobicContact CG2-CE2 4.17Å; I53-F102 HydrophobicContact CG2-CG 4.11Å; I53-F102 HydrophobicContact CG2-CZ 4Å; L56-F102 HydrophobicContact CB-CE1 4.05Å; L56-F102 HydrophobicContact CB-CZ 3.77Å; L56-F102 HydrophobicContact CD1-CZ 4.1Å; A57-F102 HydrophobicContact CB-CE1 4.45Å; L60-F102 HydrophobicContact CD1-CD1 4.16Å; L60-F102 HydrophobicContact CD1-CE1 3.77Å; L60-F102 HydrophobicContact CD1-CZ 4.5Å; I98-F102 HydrophobicContact CG2-CD2 3.75Å; I98-F102 HydrophobicContact CG2-CE2 3.74Å; I98-F102 WeakPolarHBondContact O-CD2 3.39Å; I98-F102 PolarHBondContact O-N 3.33Å; G100-F102 PolarHBondContact O-N 2.95Å; F102-C106 PolarHBondContact O-N 3.13Å; F102-V107 HydrophobicContact CD1-CG2 3.94Å; F102-L109 HydrophobicContact CB-CD2 3.83Å; F102-L109 HydrophobicContact CD1-CD2 4.38Å; F102-L109 HydrophobicContact CG-CD2 4.3Å; F102-L112 HydrophobicContact CB-CD2 4.31Å; F102-L112 HydrophobicContact CD1-CD2 4.22Å; F102-L112 HydrophobicContact CD2-CD2 3.43Å; F102-L112 VanDerWaalsContact CD2-CD2 3.43Å; F102-L112 HydrophobicContact CE1-CD2 4.4Å; F102-L112 HydrophobicContact CE2-CD1 3.87Å; F102-L112 HydrophobicContact CE2-CD2 3.64Å; F102-L112 HydrophobicContact CE2-CG 4.43Å; F102-L112 HydrophobicContact CG-CD2 3.75Å; F102-L112 HydrophobicContact CZ-CD1 3.96Å; F102-L112 HydrophobicContact CZ-CD2 4.13Å |
| 103 | R | 92.8 | Very high | 93.1 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 43% | 0.434 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69 | -43.1 | 173.2 | -81 | -177.2 | -73 | 155.3 | -4.7 | 112.3 | K99 G100 M101 I105 C106 L109 T320 D324 | K99-R103 WeakPolarHBondContact O-CG 3.45Å; K99-R103 PolarHBondContact O-N 3.11Å; K99-R103 PolarHBondContact O-NE 3.18Å; K99-R103 VanDerWaalsContact O-NE 3.16Å; G100-R103 WeakPolarHBondContact O-CB 3.11Å; G100-R103 PolarHBondContact O-N 3.04Å; G100-R103 VanDerWaalsContact O-N 3.14Å; M101-R103 VanDerWaalsContact C-N 3.29Å; M101-R103 PolarHBondContact O-N 3.33Å; R103-I105 PolarHBondContact O-N 2.81Å; R103-C106 PolarHBondContact O-N 2.79Å; R103-C106 PolarHBondContact O-SG 3.42Å; R103-L109 HydrophobicContact CG-CD1 4.46Å; R103-T320 HydrophobicContact CB-CG2 4.19Å; R103-D324 IonicContact CZ-OD1 2.76Å; R103-D324 IonicContact CZ-OD2 3.78Å; R103-D324 IonicContact NH1-OD1 3.15Å; R103-D324 PolarHBondContact NH1-OD1 3.13Å; R103-D324 IonicContact NH1-OD2 3.04Å; R103-D324 IonicContact NH2-OD1 3.97Å; R103-D324 PolarHBondContact NH2-OD1 2.88Å; R103-D324 IonicContact NH2-OD2 3.97Å; R103-D324 PolarHBondContact NH2-OD2 3Å |
| 104 | S | 93.3 | Very high | 93.2 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -21.6 | 178.2 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | G100 M101 L317 | G100-S104 PolarHBondContact O-N 3.37Å; M101-S104 PolarHBondContact O-N 3.49Å; M101-S104 PolarHBondContact O-OG 2.95Å; M101-S104 VanDerWaalsContact O-OG 3.06Å; S104-L317 VanDerWaalsContact CB-O 3.32Å; S104-L317 WeakPolarHBondContact CB-O 3.46Å; S104-L317 PolarHBondContact OG-O 3.43Å |
| 105 | I | 91.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -9.3 | 175.4 | -65.4 | 161.8 | 0 | 0 | 0 | 112.9 | F50 I53 I54 A57 M101 R103 V107 L270 | F50-I105 HydrophobicContact CD1-CD1 3.98Å; F50-I105 HydrophobicContact CD1-CG1 4.47Å; F50-I105 HydrophobicContact CE1-CD1 4.09Å; F50-I105 HydrophobicContact CE1-CG1 4.27Å; I53-I105 HydrophobicContact CG2-CD1 3.63Å; I54-I105 HydrophobicContact CG1-CD1 3.78Å; I54-I105 HydrophobicContact CG1-CG1 4.45Å; A57-I105 HydrophobicContact CB-CG2 3.73Å; M101-I105 WeakPolarHBondContact O-CD1 3.36Å; M101-I105 WeakPolarHBondContact O-CG1 3.4Å; M101-I105 PolarHBondContact O-N 3.34Å; R103-I105 PolarHBondContact O-N 2.81Å; I105-V107 HydrophobicContact CG2-CG1 4.22Å; I105-V107 HydrophobicContact CG2-CG2 4.27Å; I105-V107 PolarHBondContact O-N 2.82Å; I105-L270 HydrophobicContact CG1-CD1 4.3Å; I105-L270 HydrophobicContact CG1-CD2 4.41Å; I105-L270 HydrophobicContact CG2-CD2 3.79Å |
| 106 | C | 86.9 | Confident | 93.1 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 77% | 0.77 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 49.7 | 176.6 | -67.7 | 0 | 0 | 0 | 0 | 114.7 | F102 R103 | F102-C106 PolarHBondContact O-N 3.13Å; R103-C106 PolarHBondContact O-N 2.79Å; R103-C106 PolarHBondContact O-SG 3.42Å |
| 107 | V | 85.6 | Confident | 93 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | -103.8 | 155.3 | 173 | -81.6 | 0 | 0 | 0 | 0 | 113.6 | A57 L60 K61 F102 I105 L109 | A57-V107 HydrophobicContact CB-CG1 3.93Å; A57-V107 HydrophobicContact CB-CG2 3.95Å; L60-V107 HydrophobicContact CD1-CG2 4.28Å; K61-V107 HydrophobicContact CD-CG1 4.25Å; K61-V107 HydrophobicContact CG-CG1 3.98Å; F102-V107 HydrophobicContact CD1-CG2 3.94Å; I105-V107 HydrophobicContact CG2-CG1 4.22Å; I105-V107 HydrophobicContact CG2-CG2 4.27Å; I105-V107 PolarHBondContact O-N 2.82Å; V107-L109 HydrophobicContact CG2-CD2 4.08Å; V107-L109 WeakPolarHBondContact O-CD2 3.5Å; V107-L109 WeakPolarHBondContact O-CG 3.46Å; V107-L109 PolarHBondContact O-N 3.12Å | ||
| 108 | P | 84.2 | Confident | 92.7 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | trans | -58.9 | 132.9 | 168.6 | -21.3 | 33.4 | 0 | 0 | 0 | 111.5 | D110 | P108-D110 WeakPolarHBondContact CB-OD1 3.38Š| ||
| 109 | L | 90.6 | Very high | 92.5 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | trans | -110.8 | 5.4 | -177 | -49.3 | -176.3 | 0 | 0 | 0 | 112.7 | F102 R103 V107 R111 L112 | F102-L109 HydrophobicContact CB-CD2 3.83Å; F102-L109 HydrophobicContact CD1-CD2 4.38Å; F102-L109 HydrophobicContact CG-CD2 4.3Å; R103-L109 HydrophobicContact CG-CD1 4.46Å; V107-L109 HydrophobicContact CG2-CD2 4.08Å; V107-L109 WeakPolarHBondContact O-CD2 3.5Å; V107-L109 WeakPolarHBondContact O-CG 3.46Å; V107-L109 PolarHBondContact O-N 3.12Å; L109-R111 PolarHBondContact O-N 3.22Å; L109-L112 HydrophobicContact CB-CB 4.42Å; L109-L112 HydrophobicContact CD2-CD2 3.99Å; L109-L112 PolarHBondContact O-N 2.86Å; L109-L112 VanDerWaalsContact O-N 3.14Å | ||
| 110 | D | 92 | Very high | 92.6 | Very high | 112 Ų | 112 | 50.2 Ų | 50.2 | 60% | 0.599 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22.7 | -179.5 | 62.1 | -62 | 0 | 0 | 0 | 113.5 | P108 | P108-D110 WeakPolarHBondContact CB-OD1 3.38Š|
| 111 | R | 93.4 | Very high | 92.7 | Very high | 101 Ų | 101 | 50.2 Ų | 50.2 | 38% | 0.381 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 9.9 | 178.9 | -45.6 | -167.6 | 175.9 | -144.3 | -13.1 | 113.7 | L60 G63 A64 V66 L109 H113 | L60-R111 HydrophobicContact CD2-CB 4.01Å; G63-R111 VanDerWaalsContact O-CD 3.31Å; G63-R111 WeakPolarHBondContact O-CD 3.12Å; G63-R111 PolarHBondContact O-NH1 2.89Å; A64-R111 WeakPolarHBondContact O-CB 3.44Å; V66-R111 PolarHBondContact N-O 3.12Å; L109-R111 PolarHBondContact O-N 3.22Å; R111-H113 PolarHBondContact O-CD2 3.04Å |
| 112 | L | 95.5 | Very high | 92.6 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.7 | 176.4 | -179.8 | 61.6 | 0 | 0 | 0 | 109.4 | L60 V66 V68 F102 L109 F114 | L60-L112 HydrophobicContact CD1-CB 4.35Å; L60-L112 HydrophobicContact CD2-CB 4.25Å; V66-L112 HydrophobicContact CB-CD1 4.35Å; V66-L112 HydrophobicContact CG1-CD1 3.89Å; V66-L112 WeakPolarHBondContact O-CA 3.39Å; V68-L112 HydrophobicContact CG2-CD1 4.19Å; F102-L112 HydrophobicContact CB-CD2 4.31Å; F102-L112 HydrophobicContact CD1-CD2 4.22Å; F102-L112 HydrophobicContact CD2-CD2 3.43Å; F102-L112 VanDerWaalsContact CD2-CD2 3.43Å; F102-L112 HydrophobicContact CE1-CD2 4.4Å; F102-L112 HydrophobicContact CE2-CD1 3.87Å; F102-L112 HydrophobicContact CE2-CD2 3.64Å; F102-L112 HydrophobicContact CE2-CG 4.43Å; F102-L112 HydrophobicContact CG-CD2 3.75Å; F102-L112 HydrophobicContact CZ-CD1 3.96Å; F102-L112 HydrophobicContact CZ-CD2 4.13Å; L109-L112 HydrophobicContact CB-CB 4.42Å; L109-L112 HydrophobicContact CD2-CD2 3.99Å; L109-L112 PolarHBondContact O-N 2.86Å; L109-L112 VanDerWaalsContact O-N 3.14Å; L112-F114 HydrophobicContact CD1-CE1 4.21Å; L112-F114 HydrophobicContact CD1-CZ 4.42Å; L112-F114 HydrophobicContact CD2-CE1 4.34Å; L112-F114 HydrophobicContact CD2-CE2 4.45Å; L112-F114 HydrophobicContact CD2-CZ 3.76Å; L112-F114 HydrophobicContact CG-CE1 4.22Å; L112-F114 HydrophobicContact CG-CZ 3.97Å |
| 113 | H | 96 | Very high | 92.7 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 146.1 | 179.4 | -55.7 | -77.3 | 0 | 0 | 0 | 110.7 | K65 V66 T67 V68 R111 | K65-H113 WeakPolarHBondContact CE-CD2 3.22Å; K65-H113 VanDerWaalsContact CE-NE2 3.29Å; K65-H113 WeakPolarHBondContact CE-NE2 3.33Å; V66-H113 PolarHBondContact O-N 3.28Å; T67-H113 CarbonylContact C-O 3.44Å; T67-H113 WeakPolarHBondContact CA-O 3.47Å; V68-H113 PolarHBondContact N-O 2.88Å; R111-H113 PolarHBondContact O-CD2 3.04Å |
| 114 | F | 96.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 25% | 0.25 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134 | 172.8 | -62.7 | -51.2 | 0 | 0 | 0 | 109.2 | V68 F70 E95 I98 K99 L112 | V68-F114 HydrophobicContact CB-CD1 3.86Å; V68-F114 HydrophobicContact CB-CE1 3.96Å; V68-F114 HydrophobicContact CG2-CD1 4.47Å; V68-F114 HydrophobicContact CG2-CE1 4.12Å; F70-F114 HydrophobicContact CE2-CB 3.8Å; F70-F114 AromaticContact CE2-CD1 3.98Å; F70-F114 HydrophobicContact CE2-CD1 3.98Å; F70-F114 AromaticContact CE2-CG 3.99Å; F70-F114 HydrophobicContact CE2-CG 3.99Å; F70-F114 HydrophobicContact CZ-CB 4.4Å; F70-F114 AromaticContact CZ-CD1 3.71Å; F70-F114 HydrophobicContact CZ-CD1 3.71Å; F70-F114 HydrophobicContact CZ-CE1 4.23Å; F70-F114 HydrophobicContact CZ-CG 4.11Å; E95-F114 HydrophobicContact CG-CD2 4.18Å; E95-F114 HydrophobicContact CG-CG 4.48Å; I98-F114 HydrophobicContact CG2-CE1 3.92Å; I98-F114 HydrophobicContact CG2-CZ 4.1Å; K99-F114 HydrophobicContact CD-CE2 4.17Å; K99-F114 VanDerWaalsContact CE-CE2 3.47Å; K99-F114 HydrophobicContact CG-CE2 3.63Å; K99-F114 HydrophobicContact CG-CZ 4.07Å; L112-F114 HydrophobicContact CD1-CE1 4.21Å; L112-F114 HydrophobicContact CD1-CZ 4.42Å; L112-F114 HydrophobicContact CD2-CE1 4.34Å; L112-F114 HydrophobicContact CD2-CE2 4.45Å; L112-F114 HydrophobicContact CD2-CZ 3.76Å; L112-F114 HydrophobicContact CG-CE1 4.22Å; L112-F114 HydrophobicContact CG-CZ 3.97Å |
| 115 | V | 96.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.3 | 178.2 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | T67 V68 L69 F70 Y120 L174 | T67-V115 HydrophobicContact CG2-CB 4.2Å; T67-V115 HydrophobicContact CG2-CG2 3.77Å; V68-V115 PolarHBondContact O-N 3.45Å; V68-V115 VanDerWaalsContact O-N 3.15Å; L69-V115 CarbonylContact C-O 3.56Å; L69-V115 WeakPolarHBondContact CA-O 3.47Å; L69-V115 HydrophobicContact CD1-CB 4.46Å; L69-V115 HydrophobicContact CD1-CG1 4.28Å; F70-V115 PolarHBondContact N-O 2.98Å; V115-Y120 HydrophobicContact CG1-CD1 3.94Å; V115-Y120 HydrophobicContact CG1-CE1 3.76Å; V115-L174 HydrophobicContact CB-CD2 4.4Å; V115-L174 HydrophobicContact CG1-CD2 4.02Å; V115-L174 HydrophobicContact CG2-CD2 4.46Å |
| 116 | R | 94.5 | Very high | 93.1 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 25% | 0.249 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 140.1 | 173.4 | 171.6 | -172.9 | 178.1 | -134.2 | -9.6 | 109.4 | D72 T91 A118 D119 | D72-R116 HydrophobicContact CB-CG 4.45Å; D72-R116 VanDerWaalsContact OD1-CG 3.3Å; D72-R116 WeakPolarHBondContact OD1-CG 3.24Å; D72-R116 IonicContact OD1-NE 3.47Å; D72-R116 IonicContact OD2-CZ 3.45Å; D72-R116 IonicContact OD2-NE 3.87Å; D72-R116 PolarHBondContact OD2-NE 3.12Å; D72-R116 IonicContact OD2-NH2 2.85Å; D72-R116 PolarHBondContact OD2-NH2 2.81Å; T91-R116 HydrophobicContact CG2-CG 4.4Å; R116-A118 VanDerWaalsContact C-N 3.35Å; R116-A118 HydrophobicContact CG-CB 4.36Å; R116-A118 PolarHBondContact O-N 2.86Å; R116-D119 WeakPolarHBondContact CB-OD2 3.2Å; R116-D119 PolarHBondContact N-OD2 3.43Å; R116-D119 VanDerWaalsContact O-CB 3.28Å; R116-D119 WeakPolarHBondContact O-CB 3.43Å; R116-D119 PolarHBondContact O-N 2.88Å |
| 117 | G | 93.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -57.4 | -46.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F70 D72 D119 Y120 Q121 | F70-G117 PolarHBondContact O-N 3.22Å; D72-G117 PolarHBondContact OD1-N 3.5Å; G117-D119 PolarHBondContact O-N 2.88Å; G117-Y120 PolarHBondContact O-N 2.9Å; G117-Y120 VanDerWaalsContact O-N 3.15Å; G117-Q121 VanDerWaalsContact CA-CD 3.43Å; G117-Q121 VanDerWaalsContact O-CB 3.25Å; G117-Q121 WeakPolarHBondContact O-CB 3.46Å; G117-Q121 WeakPolarHBondContact O-CG 3.39Å; G117-Q121 PolarHBondContact O-N 3.45Å; G117-Q121 PolarHBondContact O-OE1 3.33Å |
| 118 | A | 89.9 | Confident | 94.1 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -57.1 | -16 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D72 R116 Y120 | D72-A118 PolarHBondContact OD1-N 2.72Å; R116-A118 VanDerWaalsContact C-N 3.35Å; R116-A118 HydrophobicContact CG-CB 4.36Å; R116-A118 PolarHBondContact O-N 2.86Å; A118-Y120 VanDerWaalsContact C-N 3.31Å; A118-Y120 PolarHBondContact O-N 2.97Å |
| 119 | D | 91.9 | Very high | 94.7 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -73.8 | -20.8 | 179.4 | -55 | -16.2 | 0 | 0 | 0 | 112.7 | R116 G117 | R116-D119 WeakPolarHBondContact CB-OD2 3.2Å; R116-D119 PolarHBondContact N-OD2 3.43Å; R116-D119 VanDerWaalsContact O-CB 3.28Å; R116-D119 WeakPolarHBondContact O-CB 3.43Å; R116-D119 PolarHBondContact O-N 2.88Å; G117-D119 PolarHBondContact O-N 2.88Å |
| 120 | Y | 95.8 | Very high | 95 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | -23.1 | -179.8 | 69.2 | -87.6 | 0 | 0 | 0 | 115.2 | L69 V115 G117 A118 L122 T123 Y126 D170 H173 L174 | L69-Y120 HydrophobicContact CD1-CE1 3.83Å; L69-Y120 WeakPolarHBondContact CD1-OH 3.42Å; V115-Y120 HydrophobicContact CG1-CD1 3.94Å; V115-Y120 HydrophobicContact CG1-CE1 3.76Å; G117-Y120 PolarHBondContact O-N 2.9Å; G117-Y120 VanDerWaalsContact O-N 3.15Å; A118-Y120 VanDerWaalsContact C-N 3.31Å; A118-Y120 PolarHBondContact O-N 2.97Å; Y120-L122 PolarHBondContact O-N 3.27Å; Y120-T123 WeakPolarHBondContact O-CB 3.3Å; Y120-T123 WeakPolarHBondContact O-CG2 3.17Å; Y120-T123 PolarHBondContact O-N 3.04Å; Y120-T123 PolarHBondContact O-OG1 3.35Å; Y120-Y126 AromaticContact CD2-CD2 3.94Å; Y120-Y126 HydrophobicContact CD2-CD2 3.94Å; Y120-Y126 HydrophobicContact CD2-CE2 4.2Å; Y120-Y126 HydrophobicContact CE2-CD2 4.01Å; Y120-Y126 AromaticContact CE2-CE2 3.8Å; Y120-Y126 HydrophobicContact CE2-CE2 3.8Å; Y120-D170 WeakPolarHBondContact CE2-OD1 3.45Å; Y120-D170 PolarHBondContact OH-OD1 3.03Å; Y120-H173 HydrophobicContact CD2-CB 3.9Å; Y120-H173 HydrophobicContact CE2-CB 3.89Å; Y120-L174 HydrophobicContact CE1-CD2 3.82Å |
| 121 | Q | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 0.9 | -176.1 | -64.3 | 170.9 | -25.2 | 0 | 0 | 114.3 | L73 H74 G117 Y126 D170 | L73-Q121 HydrophobicContact CD2-CB 3.77Å; H74-Q121 PolarHBondContact CE1-NE2 3.24Å; G117-Q121 VanDerWaalsContact CA-CD 3.43Å; G117-Q121 VanDerWaalsContact O-CB 3.25Å; G117-Q121 WeakPolarHBondContact O-CB 3.46Å; G117-Q121 WeakPolarHBondContact O-CG 3.39Å; G117-Q121 PolarHBondContact O-N 3.45Å; G117-Q121 PolarHBondContact O-OE1 3.33Å; Q121-Y126 HydrophobicContact CB-CD1 4.1Å; Q121-Y126 HydrophobicContact CB-CE1 3.75Å; Q121-Y126 HydrophobicContact CG-CE1 3.95Å; Q121-Y126 HydrophobicContact CG-CE2 3.97Å; Q121-Y126 VanDerWaalsContact O-CD1 3.29Å; Q121-Y126 WeakPolarHBondContact O-CD1 3.38Å; Q121-D170 PolarHBondContact NE2-OD1 3.33Å; Q121-D170 PolarHBondContact NE2-OD2 2.96Å |
| 122 | L | 93.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 9.7 | 174.9 | -66.3 | 173 | 0 | 0 | 0 | 113.1 | Y120 S501 M504 L505 Y508 | Y120-L122 PolarHBondContact O-N 3.27Å; L122-S501 VanDerWaalsContact O-CA 3.29Å; L122-S501 WeakPolarHBondContact O-CA 3.5Å; L122-S501 WeakPolarHBondContact O-CB 3.39Å; L122-M504 HydrophobicContact CD2-CB 4.21Å; L122-L505 HydrophobicContact CD1-CB 4.35Å; L122-L505 HydrophobicContact CD1-CD1 4.35Å; L122-L505 HydrophobicContact CD2-CB 3.85Å; L122-Y508 HydrophobicContact CD2-CD2 3.82Å; L122-Y508 HydrophobicContact CD2-CE2 3.79Å |
| 123 | T | 95.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -80.7 | 158 | 178 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | Y120 E125 Y126 S127 | Y120-T123 WeakPolarHBondContact O-CB 3.3Å; Y120-T123 WeakPolarHBondContact O-CG2 3.17Å; Y120-T123 PolarHBondContact O-N 3.04Å; Y120-T123 PolarHBondContact O-OG1 3.35Å; T123-E125 VanDerWaalsContact C-N 3.3Å; T123-E125 PolarHBondContact O-N 2.95Å; T123-Y126 PolarHBondContact O-N 2.92Å; T123-Y126 WeakPolarHBondContact OG1-CB 3.46Å; T123-Y126 PolarHBondContact OG1-N 2.94Å; T123-S127 VanDerWaalsContact O-CB 3.27Å; T123-S127 WeakPolarHBondContact O-CB 3.25Å; T123-S127 PolarHBondContact O-N 3.23Å; T123-S127 PolarHBondContact O-OG 3.06Å |
| 124 | E | 95.1 | Very high | 95.4 | Very high | 110 Ų | 110 | 34.8 Ų | 34.8 | 51% | 0.514 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 177.9 | -158 | -164.5 | 153 | 0 | 0 | 111.7 | S127 M128 L499 | E124-S127 PolarHBondContact O-N 3.2Å; E124-M128 WeakPolarHBondContact O-CB 3.48Å; E124-M128 PolarHBondContact O-N 3.42Å; E124-L499 HydrophobicContact CG-CB 3.6Å; E124-L499 HydrophobicContact CG-CD1 4.08Å; E124-L499 HydrophobicContact CG-CG 4.37Å |
| 125 | E | 94.9 | Very high | 95.2 | Very high | 113 Ų | 113 | 32.6 Ų | 32.6 | 53% | 0.528 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.8 | -46.9 | -179.3 | -160.5 | -173.6 | 167.9 | 0 | 0 | 111.7 | T123 M128 D129 | T123-E125 VanDerWaalsContact C-N 3.3Å; T123-E125 PolarHBondContact O-N 2.95Å; E125-M128 HydrophobicContact CG-CE 4.17Å; E125-D129 PolarHBondContact O-N 3.38Å |
| 126 | Y | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 176.4 | -170.3 | -89.5 | 0 | 0 | 0 | 111.7 | Y120 Q121 T123 M128 D129 V130 L166 L169 D170 H173 | Y120-Y126 AromaticContact CD2-CD2 3.94Å; Y120-Y126 HydrophobicContact CD2-CD2 3.94Å; Y120-Y126 HydrophobicContact CD2-CE2 4.2Å; Y120-Y126 HydrophobicContact CE2-CD2 4.01Å; Y120-Y126 AromaticContact CE2-CE2 3.8Å; Y120-Y126 HydrophobicContact CE2-CE2 3.8Å; Q121-Y126 HydrophobicContact CB-CD1 4.1Å; Q121-Y126 HydrophobicContact CB-CE1 3.75Å; Q121-Y126 HydrophobicContact CG-CE1 3.95Å; Q121-Y126 HydrophobicContact CG-CE2 3.97Å; Q121-Y126 VanDerWaalsContact O-CD1 3.29Å; Q121-Y126 WeakPolarHBondContact O-CD1 3.38Å; T123-Y126 PolarHBondContact O-N 2.92Å; T123-Y126 WeakPolarHBondContact OG1-CB 3.46Å; T123-Y126 PolarHBondContact OG1-N 2.94Å; Y126-M128 VanDerWaalsContact C-N 3.34Å; Y126-M128 PolarHBondContact O-N 2.77Å; Y126-D129 PolarHBondContact O-N 2.89Å; Y126-D129 VanDerWaalsContact O-N 3.13Å; Y126-V130 HydrophobicContact CD1-CG2 3.75Å; Y126-V130 HydrophobicContact CE1-CG2 3.61Å; Y126-V130 WeakPolarHBondContact O-CG2 3.37Å; Y126-V130 PolarHBondContact O-N 2.83Å; Y126-L166 HydrophobicContact CE1-CD2 4.03Å; Y126-L166 VanDerWaalsContact OH-CA 3.27Å; Y126-L166 WeakPolarHBondContact OH-CA 3.35Å; Y126-L166 WeakPolarHBondContact OH-CB 3.3Å; Y126-L166 PolarHBondContact OH-O 3.12Å; Y126-L169 HydrophobicContact CD2-CB 4.41Å; Y126-L169 HydrophobicContact CE2-CB 3.7Å; Y126-D170 PolarHBondContact OH-OD1 2.78Å; Y126-H173 HydrophobicContact CD2-CB 4.08Å; Y126-H173 AromaticContact CD2-CD2 3.6Å; Y126-H173 AromaticContact CD2-CG 3.6Å; Y126-H173 HydrophobicContact CE2-CB 4.5Å |
| 127 | S | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.5 | -35.3 | -178.5 | -55.3 | 0 | 0 | 0 | 0 | 112.4 | T123 E124 V130 Y131 M504 | T123-S127 VanDerWaalsContact O-CB 3.27Å; T123-S127 WeakPolarHBondContact O-CB 3.25Å; T123-S127 PolarHBondContact O-N 3.23Å; T123-S127 PolarHBondContact O-OG 3.06Å; E124-S127 PolarHBondContact O-N 3.2Å; S127-V130 PolarHBondContact O-N 3Å; S127-Y131 WeakPolarHBondContact O-CD2 3.43Å; S127-Y131 PolarHBondContact O-N 2.85Å; S127-Y131 VanDerWaalsContact O-N 3.13Å; S127-M504 WeakPolarHBondContact OG-CG 3.39Å |
| 128 | M | 95.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 32.9 Ų | 32.9 | 29% | 0.291 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56 | -51.9 | 168 | 156.2 | 168 | 68.1 | 0 | 0 | 111.3 | E124 E125 Y126 V130 Y131 R132 W461 L499 | E124-M128 WeakPolarHBondContact O-CB 3.48Å; E124-M128 PolarHBondContact O-N 3.42Å; E125-M128 HydrophobicContact CG-CE 4.17Å; Y126-M128 VanDerWaalsContact C-N 3.34Å; Y126-M128 PolarHBondContact O-N 2.77Å; M128-V130 VanDerWaalsContact C-N 3.32Å; M128-V130 PolarHBondContact O-N 2.91Å; M128-Y131 PolarHBondContact O-N 3.14Å; M128-R132 VanDerWaalsContact O-CG 3.26Å; M128-R132 WeakPolarHBondContact O-CG 3.35Å; M128-R132 PolarHBondContact O-N 2.98Å; M128-W461 HydrophobicContact CB-CH2 4.4Å; M128-W461 HydrophobicContact CB-CZ2 3.71Å; M128-W461 HydrophobicContact CG-CH2 4.44Å; M128-W461 HydrophobicContact CG-CZ2 3.49Å; M128-W461 VanDerWaalsContact CG-CZ2 3.49Å; M128-W461 HydrophobicContact SD-CZ2 4.11Å; M128-W461 PolarHBondContact SD-NE1 2.91Å; M128-L499 HydrophobicContact CB-CD2 4.28Å |
| 129 | D | 96.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.1 | -32.5 | -179 | -73.9 | -25.9 | 0 | 0 | 0 | 112.7 | E125 Y126 R132 L133 L169 H173 | E125-D129 PolarHBondContact O-N 3.38Å; Y126-D129 PolarHBondContact O-N 2.89Å; Y126-D129 VanDerWaalsContact O-N 3.13Å; D129-R132 PolarHBondContact O-N 2.91Å; D129-R132 IonicContact OD1-CZ 3.19Å; D129-R132 IonicContact OD1-NH1 2.78Å; D129-R132 PolarHBondContact OD1-NH1 2.91Å; D129-L133 VanDerWaalsContact O-CB 3.23Å; D129-L133 WeakPolarHBondContact O-CB 3.23Å; D129-L133 PolarHBondContact O-N 2.63Å; D129-L169 HydrophobicContact CB-CD1 3.88Å; D129-L169 HydrophobicContact CB-CD2 3.76Å; D129-L169 HydrophobicContact CB-CG 4.45Å; D129-H173 IonicContact OD2-CD2 2.75Å; D129-H173 IonicContact OD2-CE1 3.71Å; D129-H173 IonicContact OD2-NE2 3.84Å; D129-H173 PolarHBondContact OD2-NE2 2.86Å |
| 130 | V | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -50.6 | 172.2 | 169.4 | 0 | 0 | 0 | 0 | 111 | Y126 S127 M128 R132 L133 M134 L166 L169 M504 | Y126-V130 HydrophobicContact CD1-CG2 3.75Å; Y126-V130 HydrophobicContact CE1-CG2 3.61Å; Y126-V130 WeakPolarHBondContact O-CG2 3.37Å; Y126-V130 PolarHBondContact O-N 2.83Å; S127-V130 PolarHBondContact O-N 3Å; M128-V130 VanDerWaalsContact C-N 3.32Å; M128-V130 PolarHBondContact O-N 2.91Å; V130-R132 PolarHBondContact O-N 3.01Å; V130-L133 PolarHBondContact O-N 3.09Å; V130-M134 HydrophobicContact CG1-CG 4.45Å; V130-M134 HydrophobicContact CG1-SD 3.78Å; V130-M134 WeakPolarHBondContact O-CB 3.33Å; V130-M134 VanDerWaalsContact O-CG 3.26Å; V130-M134 WeakPolarHBondContact O-CG 3.45Å; V130-M134 PolarHBondContact O-N 3.48Å; V130-L166 HydrophobicContact CG1-CD2 4.33Å; V130-L166 HydrophobicContact CG2-CD2 3.56Å; V130-L169 HydrophobicContact CB-CD1 4.34Å; V130-L169 HydrophobicContact CG2-CD1 3.58Å; V130-M504 HydrophobicContact CG1-CE 4.2Å |
| 131 | Y | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.2 | -70.1 | -57.1 | 0 | 0 | 0 | 112.5 | S127 M128 M134 A135 I451 L455 W461 Q498 L499 Y503 M504 L565 | S127-Y131 WeakPolarHBondContact O-CD2 3.43Å; S127-Y131 PolarHBondContact O-N 2.85Å; S127-Y131 VanDerWaalsContact O-N 3.13Å; M128-Y131 PolarHBondContact O-N 3.14Å; Y131-M134 HydrophobicContact CD1-CE 4.35Å; Y131-M134 HydrophobicContact CD1-SD 4.35Å; Y131-A135 PolarHBondContact O-N 2.88Å; Y131-A135 VanDerWaalsContact O-N 3.13Å; Y131-I451 HydrophobicContact CD1-CG2 3.68Å; Y131-I451 HydrophobicContact CD2-CD1 4.22Å; Y131-I451 HydrophobicContact CD2-CG2 4.04Å; Y131-I451 HydrophobicContact CE1-CG2 3.84Å; Y131-I451 HydrophobicContact CE2-CD1 4.05Å; Y131-I451 HydrophobicContact CE2-CG2 4.19Å; Y131-I451 HydrophobicContact CG-CG2 3.78Å; Y131-L455 HydrophobicContact CD1-CD1 4.08Å; Y131-L455 HydrophobicContact CD1-CD2 4.2Å; Y131-L455 HydrophobicContact CE1-CD1 4.44Å; Y131-L455 WeakPolarHBondContact O-CD2 3.37Å; Y131-W461 HydrophobicContact CD2-CH2 4.31Å; Y131-Q498 WeakPolarHBondContact CE2-O 3.4Å; Y131-Q498 PolarHBondContact OH-O 2.97Å; Y131-L499 HydrophobicContact CD2-CD2 3.73Å; Y131-L499 HydrophobicContact CE2-CD2 3.8Å; Y131-Y503 WeakPolarHBondContact OH-CE1 3.49Å; Y131-M504 HydrophobicContact CE2-SD 3.8Å; Y131-M504 PolarHBondContact OH-SD 3.29Å; Y131-L565 HydrophobicContact CE1-CD1 4.28Å; Y131-L565 HydrophobicContact CE1-CD2 4.09Å |
| 132 | R | 96.2 | Very high | 94.5 | Very high | 45 Ų | 45 | 32.3 Ų | 32.3 | 17% | 0.17 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 175.6 | -66 | 166.5 | 75.6 | -136.2 | -0.2 | 111.7 | M128 D129 V130 A135 L136 L199 W461 | M128-R132 VanDerWaalsContact O-CG 3.26Å; M128-R132 WeakPolarHBondContact O-CG 3.35Å; M128-R132 PolarHBondContact O-N 2.98Å; D129-R132 PolarHBondContact O-N 2.91Å; D129-R132 IonicContact OD1-CZ 3.19Å; D129-R132 IonicContact OD1-NH1 2.78Å; D129-R132 PolarHBondContact OD1-NH1 2.91Å; V130-R132 PolarHBondContact O-N 3.01Å; R132-A135 PolarHBondContact O-N 3.48Å; R132-L136 WeakPolarHBondContact O-CG 3.49Å; R132-L136 PolarHBondContact O-N 3.45Å; R132-L199 HydrophobicContact CB-CD2 3.54Å; R132-L199 PolarHBondContact NH2-O 2.96Å; R132-W461 HydrophobicContact CG-CB 4.04Å; R132-W461 HydrophobicContact CG-CD2 3.48Å; R132-W461 VanDerWaalsContact CG-CD2 3.48Å; R132-W461 HydrophobicContact CG-CE3 3.65Å; R132-W461 HydrophobicContact CG-CG 3.62Å; R132-W461 HydrophobicContact CG-CZ3 4.36Å |
| 133 | L | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.4 | -35.3 | -179.5 | -170.2 | 54.1 | 0 | 0 | 0 | 112.3 | D129 V130 A135 L136 T137 L165 L169 Y195 L199 | D129-L133 VanDerWaalsContact O-CB 3.23Å; D129-L133 WeakPolarHBondContact O-CB 3.23Å; D129-L133 PolarHBondContact O-N 2.63Å; V130-L133 PolarHBondContact O-N 3.09Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-L136 PolarHBondContact O-N 2.77Å; L133-T137 WeakPolarHBondContact O-CB 3.35Å; L133-T137 PolarHBondContact O-N 3.19Å; L133-T137 PolarHBondContact O-OG1 3.41Å; L133-L165 HydrophobicContact CB-CD2 4.31Å; L133-L165 HydrophobicContact CD2-CB 3.69Å; L133-L165 HydrophobicContact CD2-CD2 4.33Å; L133-L165 HydrophobicContact CD2-CG 3.85Å; L133-L165 HydrophobicContact CG-CB 4.14Å; L133-L165 HydrophobicContact CG-CD2 3.84Å; L133-L165 HydrophobicContact CG-CG 3.8Å; L133-L169 HydrophobicContact CD2-CD1 4.11Å; L133-L169 HydrophobicContact CD2-CD2 3.98Å; L133-L169 HydrophobicContact CD2-CG 3.79Å; L133-Y195 HydrophobicContact CD1-CG 4.23Å; L133-L199 HydrophobicContact CB-CD1 4.21Å; L133-L199 HydrophobicContact CD1-CD1 4.19Å |
| 134 | M | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 171.4 | -78.1 | 169.5 | 50 | 0 | 0 | 112.5 | V130 Y131 L136 L162 L165 L455 F507 G558 L561 | V130-M134 HydrophobicContact CG1-CG 4.45Å; V130-M134 HydrophobicContact CG1-SD 3.78Å; V130-M134 WeakPolarHBondContact O-CB 3.33Å; V130-M134 VanDerWaalsContact O-CG 3.26Å; V130-M134 WeakPolarHBondContact O-CG 3.45Å; V130-M134 PolarHBondContact O-N 3.48Å; Y131-M134 HydrophobicContact CD1-CE 4.35Å; Y131-M134 HydrophobicContact CD1-SD 4.35Å; M134-L136 VanDerWaalsContact C-N 3.29Å; M134-L136 PolarHBondContact O-N 3.4Å; M134-L162 HydrophobicContact CG-CD2 3.78Å; M134-L162 HydrophobicContact SD-CD2 3.73Å; M134-L165 HydrophobicContact CG-CD2 4.15Å; M134-L455 HydrophobicContact CB-CD2 3.86Å; M134-L455 HydrophobicContact CE-CD1 4.14Å; M134-L455 HydrophobicContact CE-CD2 3.99Å; M134-F507 HydrophobicContact CE-CZ 4.06Å; M134-F507 HydrophobicContact SD-CE1 4.37Å; M134-F507 HydrophobicContact SD-CZ 4.36Å; M134-G558 PolarHBondContact O-N 3.31Å; M134-L561 HydrophobicContact CE-CB 3.89Å; M134-L561 HydrophobicContact CE-CD1 3.63Å; M134-L561 HydrophobicContact CE-CG 4.38Å; M134-L561 HydrophobicContact SD-CD1 4.28Å |
| 135 | A | 92.7 | Very high | 94.3 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 10% | 0.099 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.6 | -23.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y131 R132 L133 H454 L455 T556 | Y131-A135 PolarHBondContact O-N 2.88Å; Y131-A135 VanDerWaalsContact O-N 3.13Å; R132-A135 PolarHBondContact O-N 3.48Å; L133-A135 VanDerWaalsContact C-N 3.34Å; A135-H454 WeakPolarHBondContact CB-NE2 3.47Å; A135-L455 HydrophobicContact CB-CD2 4.31Å; A135-T556 VanDerWaalsContact O-CG2 3.28Å; A135-T556 WeakPolarHBondContact O-CG2 3.4Å |
| 136 | L | 91.8 | Very high | 94.1 | Very high | 76 Ų | 76 | 29.6 Ų | 29.6 | 40% | 0.398 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -95.6 | -30.8 | 179.8 | -66.8 | 173.7 | 0 | 0 | 0 | 113.7 | R132 L133 M134 Y195 H198 L199 | R132-L136 WeakPolarHBondContact O-CG 3.49Å; R132-L136 PolarHBondContact O-N 3.45Å; L133-L136 PolarHBondContact O-N 2.77Å; M134-L136 VanDerWaalsContact C-N 3.29Å; M134-L136 PolarHBondContact O-N 3.4Å; L136-Y195 HydrophobicContact CB-CD1 4.12Å; L136-Y195 HydrophobicContact CB-CE1 4.25Å; L136-Y195 VanDerWaalsContact O-CE1 3.23Å; L136-Y195 WeakPolarHBondContact O-CE1 3.35Å; L136-H198 HydrophobicContact CD1-CB 3.99Å; L136-L199 HydrophobicContact CD1-CD2 3.73Å; L136-L199 HydrophobicContact CD1-CG 4.31Å |
| 137 | T | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -86.4 | 131 | -171.2 | -49.3 | 0 | 0 | 0 | 0 | 111.4 | L133 D141 A142 L165 L191 Y195 T556 L557 | L133-T137 WeakPolarHBondContact O-CB 3.35Å; L133-T137 PolarHBondContact O-N 3.19Å; L133-T137 PolarHBondContact O-OG1 3.41Å; T137-D141 HydrophobicContact CG2-CB 4.47Å; T137-A142 HydrophobicContact CG2-CB 4.17Å; T137-L165 HydrophobicContact CG2-CD1 4.09Å; T137-L191 HydrophobicContact CG2-CD1 4.24Å; T137-Y195 HydrophobicContact CG2-CE2 4.06Å; T137-T556 WeakPolarHBondContact O-CA 3.38Å; T137-L557 PolarHBondContact O-N 3.39Å |
| 138 | S | 91.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | trans | -77.6 | 150.4 | 174.1 | 74.3 | 0 | 0 | 0 | 0 | 111.2 | H140 D141 A142 | S138-H140 PolarHBondContact O-N 2.88Å; S138-D141 PolarHBondContact O-N 2.8Å; S138-D141 VanDerWaalsContact O-N 3.14Å; S138-D141 WeakPolarHBondContact OG-CB 3.48Å; S138-D141 PolarHBondContact OG-N 3.09Å; S138-D141 VanDerWaalsContact OG-N 3.14Å; S138-A142 PolarHBondContact O-N 2.91Å | ||
| 139 | V | 90.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.6 | -37.3 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | R143 L161 P554 L560 | V139-R143 WeakPolarHBondContact O-CB 3.36Å; V139-R143 PolarHBondContact O-N 3.39Å; V139-L161 HydrophobicContact CG1-CD1 3.98Å; V139-P554 HydrophobicContact CG2-CG 4.4Å; V139-L560 HydrophobicContact CG1-CD2 4.22Å; V139-L560 HydrophobicContact CG2-CB 4.22Å; V139-L560 HydrophobicContact CG2-CD2 3.86Å |
| 140 | H | 90.3 | Very high | 92.2 | Very high | 95 Ų | 95 | 35.1 Ų | 35.1 | 44% | 0.44 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60 | -49.2 | 174.5 | 167.4 | -89.2 | 0 | 0 | 0 | 112.3 | S138 R143 K144 | S138-H140 PolarHBondContact O-N 2.88Å; H140-R143 PolarHBondContact O-N 3.28Å; H140-K144 WeakPolarHBondContact O-CB 3.43Å; H140-K144 PolarHBondContact O-N 3.07Å |
| 141 | D | 92.7 | Very high | 91.4 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.3 | -38 | -175.4 | -79.2 | 20.4 | 0 | 0 | 0 | 111.8 | T137 S138 K144 A145 K194 Y195 | T137-D141 HydrophobicContact CG2-CB 4.47Å; S138-D141 PolarHBondContact O-N 2.8Å; S138-D141 VanDerWaalsContact O-N 3.14Å; S138-D141 WeakPolarHBondContact OG-CB 3.48Å; S138-D141 PolarHBondContact OG-N 3.09Å; S138-D141 VanDerWaalsContact OG-N 3.14Å; D141-K144 PolarHBondContact O-N 2.88Å; D141-A145 WeakPolarHBondContact O-CB 3.32Å; D141-A145 PolarHBondContact O-N 2.82Å; D141-K194 IonicContact OD2-NZ 2.7Å; D141-K194 PolarHBondContact OD2-NZ 3.11Å; D141-Y195 HydrophobicContact CB-CE2 4.39Å; D141-Y195 PolarHBondContact OD2-OH 3.37Å |
| 142 | A | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -51.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T137 S138 K144 A145 G146 L161 L165 L557 | T137-A142 HydrophobicContact CG2-CB 4.17Å; S138-A142 PolarHBondContact O-N 2.91Å; A142-K144 PolarHBondContact O-N 3.2Å; A142-A145 PolarHBondContact O-N 3.38Å; A142-G146 PolarHBondContact O-N 2.96Å; A142-L161 HydrophobicContact CB-CB 4.26Å; A142-L161 HydrophobicContact CB-CD2 4.27Å; A142-L165 HydrophobicContact CB-CD1 4.17Å; A142-L557 HydrophobicContact CB-CD2 4.18Å |
| 143 | R | 92.4 | Very high | 90.1 | Very high | 113 Ų | 113 | 45.7 Ų | 45.7 | 43% | 0.426 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.4 | -42 | 178.5 | -158.8 | -175 | -60.1 | 126.1 | -5.2 | 111.8 | V139 H140 A145 G146 A147 L161 E516 | V139-R143 WeakPolarHBondContact O-CB 3.36Å; V139-R143 PolarHBondContact O-N 3.39Å; H140-R143 PolarHBondContact O-N 3.28Å; R143-A145 VanDerWaalsContact C-N 3.33Å; R143-A145 PolarHBondContact O-N 3.17Å; R143-G146 PolarHBondContact O-N 3.06Å; R143-A147 PolarHBondContact O-N 2.93Å; R143-A147 VanDerWaalsContact O-N 3.13Å; R143-L161 HydrophobicContact CB-CD2 3.64Å; R143-L161 HydrophobicContact CG-CD2 4.04Å; R143-E516 IonicContact CZ-OE2 3.82Å; R143-E516 VanDerWaalsContact CZ-OE2 3.31Å; R143-E516 IonicContact NE-OE1 2.63Å; R143-E516 PolarHBondContact NE-OE1 2.94Å; R143-E516 IonicContact NE-OE2 3.51Å; R143-E516 PolarHBondContact NE-OE2 3.41Å; R143-E516 VanDerWaalsContact NE-OE2 3.14Å; R143-E516 IonicContact NH2-OE2 2.89Å; R143-E516 PolarHBondContact NH2-OE2 3.15Å |
| 144 | K | 93.2 | Very high | 89.3 | Confident | 130 Ų | 130 | 53.5 Ų | 53.5 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.7 | -36.7 | 177.1 | -179.2 | 175.4 | 178.4 | 176.4 | 0 | 112.6 | H140 D141 A142 K187 | H140-K144 WeakPolarHBondContact O-CB 3.43Å; H140-K144 PolarHBondContact O-N 3.07Å; D141-K144 PolarHBondContact O-N 2.88Å; A142-K144 PolarHBondContact O-N 3.2Å; K144-K187 WeakPolarHBondContact O-CD 3.42Å |
| 145 | A | 94.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.7 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | D141 A142 R143 A147 P164 K187 I188 L191 | D141-A145 WeakPolarHBondContact O-CB 3.32Å; D141-A145 PolarHBondContact O-N 2.82Å; A142-A145 PolarHBondContact O-N 3.38Å; R143-A145 VanDerWaalsContact C-N 3.33Å; R143-A145 PolarHBondContact O-N 3.17Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 2.82Å; A145-P164 HydrophobicContact CB-CB 3.79Å; A145-P164 HydrophobicContact CB-CG 4.04Å; A145-K187 WeakPolarHBondContact O-CB 3.28Å; A145-I188 HydrophobicContact CB-CG1 4.49Å; A145-I188 WeakPolarHBondContact O-CG1 3.09Å; A145-L191 HydrophobicContact CB-CB 3.88Å; A145-L191 HydrophobicContact CB-CD1 3.4Å; A145-L191 VanDerWaalsContact CB-CD1 3.4Å; A145-L191 HydrophobicContact CB-CG 4.26Å |
| 146 | G | 91.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.5 | -18.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A142 R143 E148 V149 V150 | A142-G146 PolarHBondContact O-N 2.96Å; R143-G146 PolarHBondContact O-N 3.06Å; G146-E148 PolarHBondContact O-N 3.06Å; G146-V149 PolarHBondContact O-N 3.46Å; G146-V150 WeakPolarHBondContact O-CB 3.46Å; G146-V150 PolarHBondContact O-N 3.28Å |
| 147 | A | 89.2 | Confident | 88.3 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 31% | 0.306 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | R143 A145 | R143-A147 PolarHBondContact O-N 2.93Å; R143-A147 VanDerWaalsContact O-N 3.13Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 2.82Å |
| 148 | E | 86 | Confident | 88.3 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -9 | 177.9 | -81.2 | 168 | -173.6 | 0 | 0 | 114 | G146 K187 | G146-E148 PolarHBondContact O-N 3.06Å; E148-K187 HydrophobicContact CG-CD 4.49Å; E148-K187 WeakPolarHBondContact OE1-CE 3.35Å; E148-K187 IonicContact OE1-NZ 2.81Å; E148-K187 PolarHBondContact OE1-NZ 3.16Å; E148-K187 WeakPolarHBondContact OE2-CE 3.33Å; E148-K187 IonicContact OE2-NZ 3.31Å |
| 149 | V | 86 | Confident | 88.3 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -49.3 | -172.2 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | G146 Y163 D184 I188 | G146-V149 PolarHBondContact O-N 3.46Å; V149-Y163 HydrophobicContact CG1-CE1 3.84Å; V149-D184 VanDerWaalsContact CG2-O 3.27Å; V149-D184 WeakPolarHBondContact CG2-O 3.32Å; V149-I188 HydrophobicContact CB-CD1 3.99Å; V149-I188 HydrophobicContact CG1-CD1 4.18Å; V149-I188 HydrophobicContact CG2-CD1 3.8Å; V149-I188 HydrophobicContact CG2-CG1 4.4Å |
| 150 | V | 83.6 | Confident | 88.4 | Confident | 19 Ų | 19 | 57 Ų | 57 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72.5 | 137.3 | 178.7 | 179 | 0 | 0 | 0 | 0 | 109.4 | G146 Q152 Y163 | G146-V150 WeakPolarHBondContact O-CB 3.46Å; G146-V150 PolarHBondContact O-N 3.28Å; V150-Q152 PolarHBondContact O-N 3.04Å; V150-Q152 VanDerWaalsContact O-N 3.07Å; V150-Q152 PolarHBondContact O-NE2 2.83Å; V150-Y163 HydrophobicContact CG2-CD1 4.2Å; V150-Y163 HydrophobicContact CG2-CD2 4.46Å; V150-Y163 HydrophobicContact CG2-CG 3.99Å |
| 151 | K | 81.3 | Confident | 88.6 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | trans | -57.8 | 114.5 | 177.6 | -173 | -165.6 | 172.5 | -167 | 0 | 111.2 | D78 N79 V153 | D78-K151 WeakPolarHBondContact OD1-CB 3.47Å; D78-K151 PolarHBondContact OD1-N 2.9Å; N79-K151 HydrophobicContact CB-CB 4.29Å; N79-K151 HydrophobicContact CB-CD 3.86Å; N79-K151 PolarHBondContact ND2-NZ 2.76Å; K151-V153 HydrophobicContact CD-CG1 3.81Å; K151-V153 HydrophobicContact CG-CG1 4.01Å | ||
| 152 | Q | 82.6 | Confident | 88.7 | Confident | 126 Ų | 126 | 51 Ų | 51 | 59% | 0.589 | 26% | 0.26 | S | S | * | . | trans | -69.2 | 130.9 | 171.8 | -55.9 | -55.2 | -71.2 | 0 | 0 | 109.8 | V150 | V150-Q152 PolarHBondContact O-N 3.04Å; V150-Q152 VanDerWaalsContact O-N 3.07Å; V150-Q152 PolarHBondContact O-NE2 2.83Å | ||
| 153 | V | 82.3 | Confident | 88.7 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | trans | -146.6 | 153.2 | -177.8 | -68.9 | 0 | 0 | 0 | 0 | 109.6 | K151 N155 | K151-V153 HydrophobicContact CD-CG1 3.81Å; K151-V153 HydrophobicContact CG-CG1 4.01Å; V153-N155 VanDerWaalsContact C-N 3.26Å; V153-N155 WeakPolarHBondContact CG2-O 3.35Å; V153-N155 PolarHBondContact O-N 3.3Å | ||
| 154 | N | 79.6 | Confident | 88.9 | Confident | 164 Ų | 164 | 46.3 Ų | 46.3 | 88% | 0.877 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -57.9 | -37.6 | -174.5 | -59 | 9.2 | 0 | 0 | 0 | 113.2 | P156 | N154-P156 WeakPolarHBondContact O-CD 3.37Š|
| 155 | N | 82.6 | Confident | 89.1 | Confident | 116 Ų | 116 | 40.2 Ų | 40.2 | 62% | 0.62 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -113.5 | 89.2 | 175.1 | -65 | -13.3 | 0 | 0 | 0 | 108.1 | V153 | V153-N155 VanDerWaalsContact C-N 3.26Å; V153-N155 WeakPolarHBondContact CG2-O 3.35Å; V153-N155 PolarHBondContact O-N 3.3Å |
| 156 | P | 86.9 | Confident | 89.3 | Confident | 50 Ų | 50 | 40 Ų | 40 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | trans | -65.1 | 140.1 | -177.2 | 26.7 | -34.6 | 0 | 0 | 0 | 111.5 | N154 P515 E516 | N154-P156 WeakPolarHBondContact O-CD 3.37Å; P156-P515 CarbonylContact O-C 3.55Å; P156-P515 WeakPolarHBondContact O-CA 3.37Å; P156-E516 HydrophobicContact CB-CG 4.35Å; P156-E516 WeakPolarHBondContact CB-OE1 3.14Å; P156-E516 HydrophobicContact CG-CB 4.45Å; P156-E516 HydrophobicContact CG-CG 4.22Å; P156-E516 PolarHBondContact O-N 3.1Å | ||
| 157 | L | 91 | Very high | 89.6 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -92.4 | 144.7 | -179.6 | -63.3 | 168.9 | 0 | 0 | 0 | 110.7 | S159 G160 V514 | L157-S159 PolarHBondContact O-N 3.37Å; L157-G160 PolarHBondContact O-N 2.89Å; L157-V514 WeakPolarHBondContact CA-O 3.47Å |
| 158 | V | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -25 | -176.6 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | G160 L161 L162 V511 V514 E516 C519 L561 | V158-G160 PolarHBondContact O-N 2.96Å; V158-L161 HydrophobicContact CG1-CD1 4.45Å; V158-L161 WeakPolarHBondContact O-CB 3.48Å; V158-L161 PolarHBondContact O-N 2.65Å; V158-L162 PolarHBondContact O-N 2.93Å; V158-V511 HydrophobicContact CB-CB 4.42Å; V158-V514 HydrophobicContact CG2-CG1 4.28Å; V158-V514 PolarHBondContact N-O 2.93Å; V158-E516 HydrophobicContact CG2-CG 4.26Å; V158-C519 HydrophobicContact CG2-CB 4.23Å; V158-L561 HydrophobicContact CB-CD2 4.46Å; V158-L561 HydrophobicContact CG1-CD1 4.05Å; V158-L561 HydrophobicContact CG1-CD2 3.46Å; V158-L561 VanDerWaalsContact CG1-CD2 3.46Å; V158-L561 HydrophobicContact CG1-CG 3.75Å |
| 159 | S | 93 | Very high | 90.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.6 | -34.1 | 169 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | L77 L157 L161 L162 Y163 V511 | L77-S159 VanDerWaalsContact O-CB 3.24Å; L77-S159 WeakPolarHBondContact O-CB 3.46Å; L77-S159 PolarHBondContact O-OG 3.37Å; L157-S159 PolarHBondContact O-N 3.37Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 3.38Å; S159-L162 PolarHBondContact O-N 3.47Å; S159-L162 VanDerWaalsContact O-N 3.17Å; S159-Y163 PolarHBondContact O-N 2.85Å; S159-Y163 VanDerWaalsContact O-N 3.07Å; S159-V511 WeakPolarHBondContact CB-O 3.46Å; S159-V511 PolarHBondContact N-O 3.1Å |
| 160 | G | 92.1 | Very high | 91.1 | Very high | 11 Ų | 11 | 33 Ų | 33 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -25.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L157 V158 | L157-G160 PolarHBondContact O-N 2.89Å; V158-G160 PolarHBondContact O-N 2.96Å |
| 161 | L | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -79.7 | -27.5 | 172.8 | -60 | 179.7 | 0 | 0 | 0 | 112.2 | V139 A142 R143 V158 S159 L165 E516 L557 L560 | V139-L161 HydrophobicContact CG1-CD1 3.98Å; A142-L161 HydrophobicContact CB-CB 4.26Å; A142-L161 HydrophobicContact CB-CD2 4.27Å; R143-L161 HydrophobicContact CB-CD2 3.64Å; R143-L161 HydrophobicContact CG-CD2 4.04Å; V158-L161 HydrophobicContact CG1-CD1 4.45Å; V158-L161 WeakPolarHBondContact O-CB 3.48Å; V158-L161 PolarHBondContact O-N 2.65Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 3.38Å; L161-L165 WeakPolarHBondContact O-CD1 3.46Å; L161-E516 HydrophobicContact CD1-CG 3.88Å; L161-E516 HydrophobicContact CG-CG 4.32Å; L161-L557 HydrophobicContact CB-CD1 3.73Å; L161-L557 HydrophobicContact CB-CD2 4.11Å; L161-L557 HydrophobicContact CD1-CD1 3.78Å; L161-L557 HydrophobicContact CG-CD1 4.44Å; L161-L557 WeakPolarHBondContact O-CD2 3.26Å; L161-L560 HydrophobicContact CD1-CD2 3.7Å |
| 162 | L | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -81.6 | -32.6 | 178.3 | -73.3 | 165.8 | 0 | 0 | 0 | 112.8 | M134 V158 S159 P164 L165 L166 F507 V511 L557 L561 | M134-L162 HydrophobicContact CG-CD2 3.78Å; M134-L162 HydrophobicContact SD-CD2 3.73Å; V158-L162 PolarHBondContact O-N 2.93Å; S159-L162 PolarHBondContact O-N 3.47Å; S159-L162 VanDerWaalsContact O-N 3.17Å; L162-P164 VanDerWaalsContact C-CD 3.48Å; L162-L165 WeakPolarHBondContact O-CB 3.26Å; L162-L165 PolarHBondContact O-N 3.05Å; L162-L166 PolarHBondContact O-N 3.29Å; L162-L166 VanDerWaalsContact O-N 3.12Å; L162-F507 HydrophobicContact CD1-CE1 3.98Å; L162-F507 HydrophobicContact CD1-CZ 4.33Å; L162-V511 HydrophobicContact CD1-CB 4.2Å; L162-V511 HydrophobicContact CD1-CG1 4.14Å; L162-V511 HydrophobicContact CD1-CG2 3.79Å; L162-L557 HydrophobicContact CD2-CD2 4.06Å; L162-L561 HydrophobicContact CD1-CD1 3.97Å; L162-L561 HydrophobicContact CD2-CD1 3.9Å; L162-L561 HydrophobicContact CG-CD1 4.04Å |
| 163 | Y | 95.4 | Very high | 93.3 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 6% | 0.063 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -45.3 | -48.6 | -177.7 | -173.2 | -66.8 | 0 | 0 | 0 | 114.1 | H74 D78 V149 V150 S159 L165 L166 Q167 I188 | H74-Y163 HydrophobicContact CB-CD2 4.13Å; H74-Y163 HydrophobicContact CB-CE2 3.58Å; H74-Y163 AromaticContact CD2-CD1 3.92Å; H74-Y163 AromaticContact CD2-CD2 3.8Å; H74-Y163 AromaticContact CD2-CE1 3.83Å; H74-Y163 AromaticContact CD2-CE2 3.74Å; H74-Y163 AromaticContact CD2-CG 3.88Å; H74-Y163 AromaticContact CD2-CZ 3.74Å; H74-Y163 PolarHBondContact NE2-O 2.86Å; D78-Y163 HydrophobicContact CB-CD2 4Å; D78-Y163 HydrophobicContact CB-CE2 3.81Å; V149-Y163 HydrophobicContact CG1-CE1 3.84Å; V150-Y163 HydrophobicContact CG2-CD1 4.2Å; V150-Y163 HydrophobicContact CG2-CD2 4.46Å; V150-Y163 HydrophobicContact CG2-CG 3.99Å; S159-Y163 PolarHBondContact O-N 2.85Å; S159-Y163 VanDerWaalsContact O-N 3.07Å; Y163-L165 VanDerWaalsContact C-N 3.34Å; Y163-L165 PolarHBondContact O-N 3.2Å; Y163-L166 PolarHBondContact O-N 3.29Å; Y163-Q167 PolarHBondContact O-N 3.16Å; Y163-I188 HydrophobicContact CD1-CD1 4.22Å; Y163-I188 HydrophobicContact CE1-CD1 4.18Å |
| 164 | P | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.1 | -29.3 | -178.6 | -20.8 | 36.2 | 0 | 0 | 0 | 113.7 | A145 L162 A168 I188 L191 | A145-P164 HydrophobicContact CB-CB 3.79Å; A145-P164 HydrophobicContact CB-CG 4.04Å; L162-P164 VanDerWaalsContact C-CD 3.48Å; P164-A168 PolarHBondContact O-N 2.74Å; P164-I188 HydrophobicContact CB-CD1 4.33Å; P164-I188 HydrophobicContact CB-CG1 4.1Å; P164-I188 HydrophobicContact CB-CG2 4.08Å; P164-I188 HydrophobicContact CG-CD1 4.46Å; P164-I188 HydrophobicContact CG-CG1 4.48Å; P164-L191 HydrophobicContact CB-CD1 4.2Å |
| 165 | L | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.6 | -43.6 | 178.1 | -77.5 | 66.9 | 0 | 0 | 0 | 110.2 | L133 M134 T137 A142 L161 L162 Y163 Q167 A168 L169 L191 L557 | L133-L165 HydrophobicContact CB-CD2 4.31Å; L133-L165 HydrophobicContact CD2-CB 3.69Å; L133-L165 HydrophobicContact CD2-CD2 4.33Å; L133-L165 HydrophobicContact CD2-CG 3.85Å; L133-L165 HydrophobicContact CG-CB 4.14Å; L133-L165 HydrophobicContact CG-CD2 3.84Å; L133-L165 HydrophobicContact CG-CG 3.8Å; M134-L165 HydrophobicContact CG-CD2 4.15Å; T137-L165 HydrophobicContact CG2-CD1 4.09Å; A142-L165 HydrophobicContact CB-CD1 4.17Å; L161-L165 WeakPolarHBondContact O-CD1 3.46Å; L162-L165 WeakPolarHBondContact O-CB 3.26Å; L162-L165 PolarHBondContact O-N 3.05Å; Y163-L165 VanDerWaalsContact C-N 3.34Å; Y163-L165 PolarHBondContact O-N 3.2Å; L165-Q167 VanDerWaalsContact C-N 3.34Å; L165-Q167 PolarHBondContact O-N 2.97Å; L165-A168 PolarHBondContact O-N 2.67Å; L165-L169 WeakPolarHBondContact O-CG 3.2Å; L165-L169 PolarHBondContact O-N 3.39Å; L165-L191 HydrophobicContact CD1-CD1 4.38Å; L165-L557 HydrophobicContact CD1-CD2 4.15Å; L165-L557 HydrophobicContact CD2-CD2 3.78Å |
| 166 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 177.5 | -59.7 | -160.6 | 0 | 0 | 0 | 111.2 | L73 H74 L77 Y126 V130 L162 Y163 A168 L169 D170 Y508 | L73-L166 HydrophobicContact CD2-CD1 4.24Å; H74-L166 WeakPolarHBondContact NE2-CB 3.43Å; L77-L166 HydrophobicContact CD1-CD1 3.39Å; Y126-L166 HydrophobicContact CE1-CD2 4.03Å; Y126-L166 VanDerWaalsContact OH-CA 3.27Å; Y126-L166 WeakPolarHBondContact OH-CA 3.35Å; Y126-L166 WeakPolarHBondContact OH-CB 3.3Å; Y126-L166 PolarHBondContact OH-O 3.12Å; V130-L166 HydrophobicContact CG1-CD2 4.33Å; V130-L166 HydrophobicContact CG2-CD2 3.56Å; L162-L166 PolarHBondContact O-N 3.29Å; L162-L166 VanDerWaalsContact O-N 3.12Å; Y163-L166 PolarHBondContact O-N 3.29Å; L166-A168 VanDerWaalsContact C-N 3.31Å; L166-A168 PolarHBondContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 2.82Å; L166-L169 VanDerWaalsContact O-N 3.12Å; L166-D170 VanDerWaalsContact O-CG 3.23Å; L166-D170 PolarHBondContact O-N 3.4Å; L166-Y508 HydrophobicContact CD1-CE1 4.07Å; L166-Y508 HydrophobicContact CD2-CE1 4.32Å |
| 167 | Q | 97.7 | Very high | 95.9 | Very high | 16 Ų | 16 | 16.2 Ų | 16.2 | 8% | 0.075 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.6 | -33.8 | 177.8 | -175.4 | 173.7 | -12.7 | 0 | 0 | 112.9 | Y36 H74 Y163 L165 I188 | Y36-Q167 PolarHBondContact OH-O 3.49Å; Y36-Q167 VanDerWaalsContact OH-O 3.07Å; H74-Q167 WeakPolarHBondContact NE2-CA 3.39Å; H74-Q167 WeakPolarHBondContact NE2-CB 3.35Å; H74-Q167 PolarHBondContact NE2-N 2.62Å; Y163-Q167 PolarHBondContact O-N 3.16Å; L165-Q167 VanDerWaalsContact C-N 3.34Å; L165-Q167 PolarHBondContact O-N 2.97Å; Q167-I188 HydrophobicContact CB-CG2 4.05Å; Q167-I188 HydrophobicContact CG-CG2 4.06Å |
| 168 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.3 | -37.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P164 L165 L166 D170 E171 L191 A192 L196 | P164-A168 PolarHBondContact O-N 2.74Å; L165-A168 PolarHBondContact O-N 2.67Å; L166-A168 VanDerWaalsContact C-N 3.31Å; L166-A168 PolarHBondContact O-N 3.16Å; A168-D170 VanDerWaalsContact C-N 3.33Å; A168-E171 WeakPolarHBondContact O-CB 3.46Å; A168-E171 PolarHBondContact O-N 3Å; A168-L191 HydrophobicContact CB-CD2 4.29Å; A168-A192 HydrophobicContact CB-CB 3.57Å; A168-L196 HydrophobicContact CB-CD2 4.4Å; A168-L196 WeakPolarHBondContact O-CD1 3.42Å |
| 169 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.3 | -25.2 | 177.3 | -67 | 177.4 | 0 | 0 | 0 | 112.9 | Y126 D129 V130 L133 L165 L166 E171 V172 H173 L196 L199 | Y126-L169 HydrophobicContact CD2-CB 4.41Å; Y126-L169 HydrophobicContact CE2-CB 3.7Å; D129-L169 HydrophobicContact CB-CD1 3.88Å; D129-L169 HydrophobicContact CB-CD2 3.76Å; D129-L169 HydrophobicContact CB-CG 4.45Å; V130-L169 HydrophobicContact CB-CD1 4.34Å; V130-L169 HydrophobicContact CG2-CD1 3.58Å; L133-L169 HydrophobicContact CD2-CD1 4.11Å; L133-L169 HydrophobicContact CD2-CD2 3.98Å; L133-L169 HydrophobicContact CD2-CG 3.79Å; L165-L169 WeakPolarHBondContact O-CG 3.2Å; L165-L169 PolarHBondContact O-N 3.39Å; L166-L169 PolarHBondContact O-N 2.82Å; L166-L169 VanDerWaalsContact O-N 3.12Å; L169-E171 PolarHBondContact O-N 2.96Å; L169-V172 WeakPolarHBondContact O-CA 3.34Å; L169-V172 WeakPolarHBondContact O-CB 3.44Å; L169-V172 PolarHBondContact O-N 2.85Å; L169-H173 PolarHBondContact O-CD2 3.2Å; L169-H173 PolarHBondContact O-N 3.16Å; L169-L196 HydrophobicContact CD2-CD2 4.12Å; L169-L199 HydrophobicContact CD2-CD1 4.02Å |
| 170 | D | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.011 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.9 | -33.3 | 173.2 | -63.9 | -32.1 | 0 | 0 | 0 | 112 | Y36 L69 H74 Y120 Q121 Y126 L166 A168 V172 H173 L174 | Y36-D170 HydrophobicContact CE2-CB 4Å; L69-D170 HydrophobicContact CD2-CB 4.1Å; L69-D170 WeakPolarHBondContact CD2-OD2 3.32Å; H74-D170 IonicContact CE1-OD1 3.01Å; H74-D170 IonicContact CE1-OD2 2.67Å; H74-D170 PolarHBondContact CE1-OD2 3.04Å; H74-D170 IonicContact NE2-OD2 3.16Å; Y120-D170 WeakPolarHBondContact CE2-OD1 3.45Å; Y120-D170 PolarHBondContact OH-OD1 3.03Å; Q121-D170 PolarHBondContact NE2-OD1 3.33Å; Q121-D170 PolarHBondContact NE2-OD2 2.96Å; Y126-D170 PolarHBondContact OH-OD1 2.78Å; L166-D170 VanDerWaalsContact O-CG 3.23Å; L166-D170 PolarHBondContact O-N 3.4Å; A168-D170 VanDerWaalsContact C-N 3.33Å; D170-V172 PolarHBondContact O-N 3.44Å; D170-H173 PolarHBondContact O-N 2.75Å; D170-L174 HydrophobicContact CB-CD1 4.4Å; D170-L174 WeakPolarHBondContact O-CB 3.43Å; D170-L174 VanDerWaalsContact O-CG 3.31Å; D170-L174 WeakPolarHBondContact O-CG 3.48Å; D170-L174 PolarHBondContact O-N 2.71Å |
| 171 | E | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.3 | -36.9 | 172 | -62.3 | 177.7 | -156.1 | 0 | 0 | 113.1 | Y36 A168 L169 V176 Q179 A192 L196 R204 H206 | Y36-E171 HydrophobicContact CE1-CG 4Å; Y36-E171 WeakPolarHBondContact OH-CG 3.37Å; Y36-E171 PolarHBondContact OH-N 2.73Å; A168-E171 WeakPolarHBondContact O-CB 3.46Å; A168-E171 PolarHBondContact O-N 3Å; L169-E171 PolarHBondContact O-N 2.96Å; E171-V176 HydrophobicContact CB-CG2 4.28Å; E171-V176 WeakPolarHBondContact O-CG2 3.33Å; E171-V176 PolarHBondContact O-N 3.03Å; E171-Q179 PolarHBondContact OE1-NE2 3.37Å; E171-A192 WeakPolarHBondContact OE1-CB 3.36Å; E171-L196 HydrophobicContact CB-CD1 4.21Å; E171-L196 WeakPolarHBondContact OE2-CD1 3.47Å; E171-R204 HydrophobicContact CB-CG 4.02Å; E171-R204 HydrophobicContact CG-CG 4.27Å; E171-R204 VanDerWaalsContact O-CZ 3.27Å; E171-R204 PolarHBondContact O-NE 2.79Å; E171-R204 PolarHBondContact O-NH2 3.5Å; E171-R204 VanDerWaalsContact OE2-CB 3.3Å; E171-R204 WeakPolarHBondContact OE2-CB 3.44Å; E171-R204 VanDerWaalsContact OE2-CD 3.31Å; E171-R204 WeakPolarHBondContact OE2-CD 3.32Å; E171-R204 WeakPolarHBondContact OE2-CG 3.42Å; E171-H206 IonicContact OE1-CE1 3.52Å; E171-H206 IonicContact OE1-NE2 3.33Å; E171-H206 PolarHBondContact OE1-NE2 3.1Å |
| 172 | V | 97.1 | Very high | 97 | Very high | 19 Ų | 19 | 15.1 Ų | 15.1 | 12% | 0.115 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -75.9 | -53 | -179 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | L169 D170 K175 L196 H201 | L169-V172 WeakPolarHBondContact O-CA 3.34Å; L169-V172 WeakPolarHBondContact O-CB 3.44Å; L169-V172 PolarHBondContact O-N 2.85Å; D170-V172 PolarHBondContact O-N 3.44Å; V172-K175 WeakPolarHBondContact O-CA 3.11Å; V172-K175 WeakPolarHBondContact O-CG 3.22Å; V172-K175 PolarHBondContact O-N 3.01Å; V172-K175 VanDerWaalsContact O-N 3.09Å; V172-L196 HydrophobicContact CG2-CD1 4.18Å; V172-L196 HydrophobicContact CG2-CD2 3.76Å; V172-H201 HydrophobicContact CG2-CB 4.15Å |
| 173 | H | 97.1 | Very high | 97 | Very high | 27 Ų | 27 | 16.4 Ų | 16.4 | 13% | 0.125 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -78.5 | -31.3 | -169.7 | -75.9 | -93 | 0 | 0 | 0 | 113.4 | Y120 Y126 D129 L169 D170 K175 | Y120-H173 HydrophobicContact CD2-CB 3.9Å; Y120-H173 HydrophobicContact CE2-CB 3.89Å; Y126-H173 HydrophobicContact CD2-CB 4.08Å; Y126-H173 AromaticContact CD2-CD2 3.6Å; Y126-H173 AromaticContact CD2-CG 3.6Å; Y126-H173 HydrophobicContact CE2-CB 4.5Å; D129-H173 IonicContact OD2-CD2 2.75Å; D129-H173 IonicContact OD2-CE1 3.71Å; D129-H173 IonicContact OD2-NE2 3.84Å; D129-H173 PolarHBondContact OD2-NE2 2.86Å; L169-H173 PolarHBondContact O-CD2 3.2Å; L169-H173 PolarHBondContact O-N 3.16Å; D170-H173 PolarHBondContact O-N 2.75Å; H173-K175 PolarHBondContact O-N 3.5Å |
| 174 | L | 97.1 | Very high | 96.8 | Very high | 29 Ų | 29 | 17.1 Ų | 17.1 | 15% | 0.152 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -5.8 | 167 | -59.9 | 177.6 | 0 | 0 | 0 | 113.2 | Y36 T67 L69 V115 Y120 D170 V176 | Y36-L174 HydrophobicContact CD1-CD1 4.48Å; Y36-L174 HydrophobicContact CD2-CD1 3.44Å; Y36-L174 VanDerWaalsContact CD2-CD1 3.44Å; Y36-L174 HydrophobicContact CE2-CD1 3.91Å; Y36-L174 HydrophobicContact CG-CD1 3.75Å; T67-L174 HydrophobicContact CG2-CD1 4.47Å; L69-L174 HydrophobicContact CB-CD1 4.22Å; L69-L174 HydrophobicContact CD1-CD1 4.46Å; L69-L174 HydrophobicContact CD2-CD1 4.18Å; V115-L174 HydrophobicContact CB-CD2 4.4Å; V115-L174 HydrophobicContact CG1-CD2 4.02Å; V115-L174 HydrophobicContact CG2-CD2 4.46Å; Y120-L174 HydrophobicContact CE1-CD2 3.82Å; D170-L174 HydrophobicContact CB-CD1 4.4Å; D170-L174 WeakPolarHBondContact O-CB 3.43Å; D170-L174 VanDerWaalsContact O-CG 3.31Å; D170-L174 WeakPolarHBondContact O-CG 3.48Å; D170-L174 PolarHBondContact O-N 2.71Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 HydrophobicContact CB-CG1 4.08Å; L174-V176 PolarHBondContact O-N 3.02Å |
| 175 | K | 96.3 | Very high | 96.8 | Very high | 153 Ų | 153 | 18.7 Ų | 18.7 | 67% | 0.665 | 9% | 0.094 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 39.3 | 173.5 | -62.6 | 169.1 | -171.7 | 176.5 | 0 | 113.3 | V172 H173 | V172-K175 WeakPolarHBondContact O-CA 3.11Å; V172-K175 WeakPolarHBondContact O-CG 3.22Å; V172-K175 PolarHBondContact O-N 3.01Å; V172-K175 VanDerWaalsContact O-N 3.09Å; H173-K175 PolarHBondContact O-N 3.5Å |
| 176 | V | 96.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | trans | -88.2 | 161.4 | -176.1 | -66.1 | 0 | 0 | 0 | 0 | 114.4 | S34 Y36 E171 L174 K202 R204 | S34-V176 WeakPolarHBondContact OG-CA 3.34Å; Y36-V176 HydrophobicContact CD1-CB 4.26Å; Y36-V176 HydrophobicContact CD1-CG1 3.97Å; Y36-V176 HydrophobicContact CD1-CG2 3.64Å; Y36-V176 HydrophobicContact CE1-CG2 3.79Å; Y36-V176 HydrophobicContact CG-CG1 4.42Å; E171-V176 HydrophobicContact CB-CG2 4.28Å; E171-V176 WeakPolarHBondContact O-CG2 3.33Å; E171-V176 PolarHBondContact O-N 3.03Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 HydrophobicContact CB-CG1 4.08Å; L174-V176 PolarHBondContact O-N 3.02Å; V176-K202 WeakPolarHBondContact O-CE 3.44Å; V176-K202 PolarHBondContact O-NZ 3.41Å; V176-R204 HydrophobicContact CG2-CG 4.3Å; V176-R204 PolarHBondContact O-NE 2.79Å | ||
| 177 | D | 96.3 | Very high | 96.8 | Very high | 33 Ų | 33 | 26.5 Ų | 26.5 | 18% | 0.176 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -92.9 | -30.2 | 165.8 | -56.2 | -60.4 | 0 | 0 | 0 | 112.3 | L25 S34 K202 R204 I205 | L25-D177 HydrophobicContact CD2-CB 3.82Å; S34-D177 PolarHBondContact N-OD2 3.26Å; S34-D177 VanDerWaalsContact N-OD2 3.16Å; S34-D177 PolarHBondContact O-N 3.24Å; S34-D177 VanDerWaalsContact OG-CG 3.3Å; S34-D177 PolarHBondContact OG-N 2.63Å; S34-D177 PolarHBondContact OG-OD2 3.09Å; D177-K202 IonicContact OD1-NZ 2.71Å; D177-K202 PolarHBondContact OD1-NZ 2.98Å; D177-R204 WeakPolarHBondContact O-CA 3.43Å; D177-I205 PolarHBondContact O-N 2.77Å |
| 178 | I | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135 | -170.2 | -44.9 | -160.7 | 0 | 0 | 0 | 111.7 | L22 V33 S34 V35 Y36 I205 L207 | L22-I178 HydrophobicContact CD1-CD1 3.74Å; V33-I178 HydrophobicContact CG1-CD1 3.43Å; V33-I178 VanDerWaalsContact CG1-CD1 3.43Å; V33-I178 HydrophobicContact CG1-CG1 3.83Å; S34-I178 PolarHBondContact O-N 3.09Å; V35-I178 WeakPolarHBondContact CA-O 3.36Å; V35-I178 HydrophobicContact CB-CB 4.29Å; V35-I178 HydrophobicContact CG1-CB 4.04Å; V35-I178 HydrophobicContact CG1-CG2 4.06Å; V35-I178 HydrophobicContact CG2-CB 4.04Å; V35-I178 HydrophobicContact CG2-CD1 4.23Å; V35-I178 HydrophobicContact CG2-CG1 4.29Å; Y36-I178 PolarHBondContact N-O 2.89Å; I178-I205 VanDerWaalsContact CA-O 3.31Å; I178-I205 WeakPolarHBondContact CA-O 3.25Å; I178-I205 HydrophobicContact CB-CB 4.4Å; I178-I205 HydrophobicContact CD1-CB 4.36Å; I178-I205 HydrophobicContact CD1-CD1 4.15Å; I178-I205 HydrophobicContact CD1-CG2 4.27Å; I178-I205 HydrophobicContact CG1-CB 4.02Å; I178-I205 HydrophobicContact CG1-CD1 4.06Å; I178-I205 HydrophobicContact CG1-CG2 4.42Å; I178-I205 HydrophobicContact CG2-CB 4.24Å; I178-I205 HydrophobicContact CG2-CG2 4.2Å; I178-I205 WeakPolarHBondContact CG2-O 3.45Å; I178-L207 HydrophobicContact CD1-CD1 4.35Å; I178-L207 HydrophobicContact CG2-CB 4.46Å; I178-L207 HydrophobicContact CG2-CD1 3.63Å; I178-L207 HydrophobicContact CG2-CG 3.64Å |
| 179 | Q | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.3 | 161.3 | 179.8 | 166.5 | -161.4 | 0 | 0 | 109.7 | Y36 E171 F189 I205 L207 | Y36-Q179 HydrophobicContact CD1-CB 4.19Å; Y36-Q179 HydrophobicContact CD1-CG 4.37Å; Y36-Q179 HydrophobicContact CE1-CB 3.57Å; Y36-Q179 HydrophobicContact CE1-CG 3.67Å; Y36-Q179 PolarHBondContact OH-NE2 3.31Å; Y36-Q179 PolarHBondContact OH-OE1 3.13Å; E171-Q179 PolarHBondContact OE1-NE2 3.37Å; Q179-F189 HydrophobicContact CG-CD1 4.26Å; Q179-F189 HydrophobicContact CG-CE1 3.6Å; Q179-F189 HydrophobicContact CG-CZ 3.9Å; Q179-I205 PolarHBondContact N-O 3.48Å; Q179-L207 PolarHBondContact O-N 3.43Å |
| 180 | F | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140 | 174.4 | 171.5 | -115.1 | 0 | 0 | 0 | 110.9 | L13 V35 Y36 W37 P52 K55 L56 M59 L207 N209 | L13-F180 HydrophobicContact CD2-CD2 4.37Å; L13-F180 HydrophobicContact CD2-CE2 3.83Å; V35-F180 HydrophobicContact CG1-CB 4.02Å; Y36-F180 PolarHBondContact O-N 2.87Å; W37-F180 HydrophobicContact CB-CD1 4.12Å; W37-F180 AromaticContact CD1-CD1 3.95Å; W37-F180 HydrophobicContact CG-CD1 4.15Å; P52-F180 HydrophobicContact CB-CE1 3.75Å; P52-F180 HydrophobicContact CB-CZ 4.23Å; K55-F180 HydrophobicContact CB-CE1 4.03Å; K55-F180 HydrophobicContact CB-CE2 4.26Å; K55-F180 HydrophobicContact CB-CZ 3.64Å; K55-F180 HydrophobicContact CG-CD2 4.18Å; K55-F180 HydrophobicContact CG-CE1 3.99Å; K55-F180 HydrophobicContact CG-CE2 3.52Å; K55-F180 HydrophobicContact CG-CZ 3.42Å; K55-F180 VanDerWaalsContact CG-CZ 3.42Å; L56-F180 HydrophobicContact CD2-CD1 3.74Å; L56-F180 HydrophobicContact CD2-CE1 4.33Å; L56-F180 HydrophobicContact CG-CD1 4.2Å; L56-F180 HydrophobicContact CG-CE1 4.32Å; M59-F180 HydrophobicContact CE-CB 4.34Å; M59-F180 HydrophobicContact CE-CD2 4.18Å; M59-F180 HydrophobicContact CE-CG 4.14Å; F180-L207 WeakPolarHBondContact CA-O 3.44Å; F180-L207 HydrophobicContact CB-CB 4.47Å; F180-L207 HydrophobicContact CD2-CB 3.91Å; F180-L207 VanDerWaalsContact CD2-O 3.3Å; F180-L207 WeakPolarHBondContact CD2-O 3.34Å; F180-N209 HydrophobicContact CE2-CB 3.93Å; F180-N209 HydrophobicContact CZ-CB 4Å; F180-N209 WeakPolarHBondContact CZ-OD1 3.08Å |
| 181 | G | 96.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173 | -170.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L207 M208 N209 | G181-L207 PolarHBondContact N-O 3.36Å; G181-M208 CarbonylContact O-C 3.6Å; G181-M208 VanDerWaalsContact O-CA 3.28Å; G181-M208 WeakPolarHBondContact O-CA 3.25Å; G181-N209 PolarHBondContact O-N 2.96Å; G181-N209 PolarHBondContact O-OD1 3.33Å; G181-N209 VanDerWaalsContact O-OD1 3.09Å |
| 182 | G | 94.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 9% | 0.093 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 158.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D184 Q185 | G182-D184 PolarHBondContact O-N 3.23Å; G182-Q185 VanDerWaalsContact O-CB 3.25Å; G182-Q185 WeakPolarHBondContact O-CB 3.43Å; G182-Q185 WeakPolarHBondContact O-CG 3.39Å; G182-Q185 PolarHBondContact O-N 2.7Å |
| 183 | V | 94 | Very high | 96.6 | Very high | 26 Ų | 26 | 29 Ų | 29 | 16% | 0.158 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -63.8 | -17.7 | 173.9 | 68 | 0 | 0 | 0 | 0 | 113.2 | Q185 R186 M208 N209 M211 | V183-Q185 PolarHBondContact O-N 2.64Å; V183-R186 WeakPolarHBondContact O-CB 3.39Å; V183-R186 PolarHBondContact O-N 3.23Å; V183-R186 VanDerWaalsContact O-N 3.15Å; V183-M208 HydrophobicContact CB-CB 4.28Å; V183-M208 HydrophobicContact CG2-SD 4.39Å; V183-N209 PolarHBondContact N-O 3.1Å; V183-M211 HydrophobicContact CG1-CG 3.67Å; V183-M211 HydrophobicContact CG1-SD 3.9Å |
| 184 | D | 92.3 | Very high | 96.6 | Very high | 31 Ų | 31 | 32.4 Ų | 32.4 | 17% | 0.166 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -69.8 | -13.4 | 169.3 | 60.4 | 3.2 | 0 | 0 | 0 | 113.8 | V149 G182 R186 M211 K219 | V149-D184 VanDerWaalsContact CG2-O 3.27Å; V149-D184 WeakPolarHBondContact CG2-O 3.32Å; G182-D184 PolarHBondContact O-N 3.23Å; D184-R186 VanDerWaalsContact C-N 3.33Å; D184-M211 HydrophobicContact CB-CE 4.42Å; D184-M211 HydrophobicContact CB-SD 4.13Å; D184-M211 WeakPolarHBondContact OD2-CE 3.49Å; D184-K219 IonicContact OD2-NZ 2.74Å; D184-K219 PolarHBondContact OD2-NZ 2.94Å |
| 185 | Q | 95.7 | Very high | 96.5 | Very high | 33 Ų | 33 | 31.9 Ų | 31.9 | 15% | 0.154 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -81.1 | -10.6 | 170.1 | -56.3 | -62.4 | -58.2 | 0 | 0 | 113.4 | G182 V183 K187 I188 F189 | G182-Q185 VanDerWaalsContact O-CB 3.25Å; G182-Q185 WeakPolarHBondContact O-CB 3.43Å; G182-Q185 WeakPolarHBondContact O-CG 3.39Å; G182-Q185 PolarHBondContact O-N 2.7Å; V183-Q185 PolarHBondContact O-N 2.64Å; Q185-K187 PolarHBondContact O-N 3.3Å; Q185-I188 PolarHBondContact O-N 3.09Å; Q185-F189 HydrophobicContact CB-CD1 4.1Å; Q185-F189 HydrophobicContact CB-CD2 4.46Å; Q185-F189 HydrophobicContact CB-CE1 3.49Å; Q185-F189 VanDerWaalsContact CB-CE1 3.49Å; Q185-F189 HydrophobicContact CB-CE2 3.96Å; Q185-F189 HydrophobicContact CB-CZ 3.43Å; Q185-F189 VanDerWaalsContact CB-CZ 3.43Å; Q185-F189 HydrophobicContact CG-CE1 4.31Å; Q185-F189 HydrophobicContact CG-CZ 4.15Å; Q185-F189 PolarHBondContact O-N 3.47Å |
| 186 | R | 97 | Very high | 96.5 | Very high | 89 Ų | 89 | 24.6 Ų | 24.6 | 34% | 0.336 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -52.1 | -37 | -168.9 | -173.7 | -176.9 | -166.8 | -57.8 | -10.8 | 113.6 | E15 V183 D184 I188 F189 M190 M208 | E15-R186 VanDerWaalsContact CD-NE 3.33Å; E15-R186 IonicContact OE1-CZ 4Å; E15-R186 VanDerWaalsContact OE1-CZ 3.31Å; E15-R186 IonicContact OE1-NE 2.7Å; E15-R186 PolarHBondContact OE1-NE 2.62Å; E15-R186 VanDerWaalsContact OE1-NE 3.16Å; E15-R186 IonicContact OE1-NH2 3.79Å; E15-R186 PolarHBondContact OE1-NH2 2.82Å; E15-R186 WeakPolarHBondContact OE2-CD 3.15Å; E15-R186 IonicContact OE2-CZ 2.8Å; E15-R186 IonicContact OE2-NE 2.93Å; E15-R186 PolarHBondContact OE2-NE 2.75Å; E15-R186 IonicContact OE2-NH2 3.76Å; V183-R186 WeakPolarHBondContact O-CB 3.39Å; V183-R186 PolarHBondContact O-N 3.23Å; V183-R186 VanDerWaalsContact O-N 3.15Å; D184-R186 VanDerWaalsContact C-N 3.33Å; R186-I188 VanDerWaalsContact C-N 3.34Å; R186-I188 PolarHBondContact O-N 2.89Å; R186-F189 PolarHBondContact O-N 2.98Å; R186-M190 VanDerWaalsContact O-CG 3.25Å; R186-M190 WeakPolarHBondContact O-CG 3.44Å; R186-M190 PolarHBondContact O-N 3.05Å; R186-M190 VanDerWaalsContact O-N 3.08Å; R186-M208 HydrophobicContact CB-SD 3.59Å; R186-M208 VanDerWaalsContact CB-SD 3.59Å; R186-M208 HydrophobicContact CG-CE 4.33Å; R186-M208 HydrophobicContact CG-SD 3.65Å |
| 187 | K | 97.5 | Very high | 96.5 | Very high | 76 Ų | 76 | 27.2 Ų | 27.2 | 33% | 0.33 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -69.8 | -29.8 | -179.3 | -60.5 | -175.5 | -174.2 | 164.3 | 0 | 113.1 | K144 A145 E148 Q185 L191 | K144-K187 WeakPolarHBondContact O-CD 3.42Å; A145-K187 WeakPolarHBondContact O-CB 3.28Å; E148-K187 HydrophobicContact CG-CD 4.49Å; E148-K187 WeakPolarHBondContact OE1-CE 3.35Å; E148-K187 IonicContact OE1-NZ 2.81Å; E148-K187 PolarHBondContact OE1-NZ 3.16Å; E148-K187 WeakPolarHBondContact OE2-CE 3.33Å; E148-K187 IonicContact OE2-NZ 3.31Å; Q185-K187 PolarHBondContact O-N 3.3Å; K187-L191 PolarHBondContact O-N 3.29Å |
| 188 | I | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -74.7 | -44 | 173.8 | -56.3 | -175.3 | 0 | 0 | 0 | 110.1 | A145 V149 Y163 P164 Q167 Q185 R186 M190 L191 A192 | A145-I188 HydrophobicContact CB-CG1 4.49Å; A145-I188 WeakPolarHBondContact O-CG1 3.09Å; V149-I188 HydrophobicContact CB-CD1 3.99Å; V149-I188 HydrophobicContact CG1-CD1 4.18Å; V149-I188 HydrophobicContact CG2-CD1 3.8Å; V149-I188 HydrophobicContact CG2-CG1 4.4Å; Y163-I188 HydrophobicContact CD1-CD1 4.22Å; Y163-I188 HydrophobicContact CE1-CD1 4.18Å; P164-I188 HydrophobicContact CB-CD1 4.33Å; P164-I188 HydrophobicContact CB-CG1 4.1Å; P164-I188 HydrophobicContact CB-CG2 4.08Å; P164-I188 HydrophobicContact CG-CD1 4.46Å; P164-I188 HydrophobicContact CG-CG1 4.48Å; Q167-I188 HydrophobicContact CB-CG2 4.05Å; Q167-I188 HydrophobicContact CG-CG2 4.06Å; Q185-I188 PolarHBondContact O-N 3.09Å; R186-I188 VanDerWaalsContact C-N 3.34Å; R186-I188 PolarHBondContact O-N 2.89Å; I188-M190 VanDerWaalsContact C-N 3.27Å; I188-M190 PolarHBondContact O-N 2.95Å; I188-L191 WeakPolarHBondContact O-CA 3.44Å; I188-L191 WeakPolarHBondContact O-CB 3.39Å; I188-L191 PolarHBondContact O-N 3.42Å; I188-A192 PolarHBondContact O-N 3.32Å |
| 189 | F | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.2 | -40.9 | 176 | -64.5 | -3.6 | 0 | 0 | 0 | 112.1 | Q179 Q185 R186 A192 E193 H206 M208 | Q179-F189 HydrophobicContact CG-CD1 4.26Å; Q179-F189 HydrophobicContact CG-CE1 3.6Å; Q179-F189 HydrophobicContact CG-CZ 3.9Å; Q185-F189 HydrophobicContact CB-CD1 4.1Å; Q185-F189 HydrophobicContact CB-CD2 4.46Å; Q185-F189 HydrophobicContact CB-CE1 3.49Å; Q185-F189 VanDerWaalsContact CB-CE1 3.49Å; Q185-F189 HydrophobicContact CB-CE2 3.96Å; Q185-F189 HydrophobicContact CB-CZ 3.43Å; Q185-F189 VanDerWaalsContact CB-CZ 3.43Å; Q185-F189 HydrophobicContact CG-CE1 4.31Å; Q185-F189 HydrophobicContact CG-CZ 4.15Å; Q185-F189 PolarHBondContact O-N 3.47Å; R186-F189 PolarHBondContact O-N 2.98Å; F189-A192 PolarHBondContact O-N 2.86Å; F189-E193 PolarHBondContact O-N 3.05Å; F189-H206 HydrophobicContact CB-CB 4.31Å; F189-H206 VanDerWaalsContact CB-CD2 3.41Å; F189-H206 WeakPolarHBondContact CB-CD2 3.39Å; F189-H206 AromaticContact CD1-CD2 3.65Å; F189-H206 AromaticContact CD1-NE2 3.95Å; F189-H206 HydrophobicContact CD2-CB 3.8Å; F189-H206 AromaticContact CD2-CD2 3.5Å; F189-H206 VanDerWaalsContact CD2-CD2 3.5Å; F189-H206 WeakPolarHBondContact CD2-CD2 3.23Å; F189-H206 AromaticContact CD2-CG 3.84Å; F189-H206 HydrophobicContact CE2-CB 4.44Å; F189-H206 HydrophobicContact CG-CB 4.28Å; F189-H206 AromaticContact CG-CD2 3.23Å; F189-H206 WeakPolarHBondContact CG-CD2 3.38Å; F189-H206 AromaticContact CG-CG 3.82Å; F189-H206 AromaticContact CG-NE2 3.78Å; F189-H206 PolarHBondContact O-CE1 3.26Å; F189-M208 HydrophobicContact CD2-CE 4.39Å; F189-M208 HydrophobicContact CD2-CG 3.84Å; F189-M208 HydrophobicContact CD2-SD 3.9Å; F189-M208 HydrophobicContact CE2-CG 3.56Å; F189-M208 HydrophobicContact CE2-SD 4.24Å |
| 190 | M | 97.5 | Very high | 95.5 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 28% | 0.281 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -73.1 | -23.5 | 175.3 | -61.1 | -65.3 | 91.9 | 0 | 0 | 113.9 | V17 R186 I188 E193 K194 | V17-M190 HydrophobicContact CB-CE 4.41Å; V17-M190 HydrophobicContact CG1-CE 4.24Å; V17-M190 HydrophobicContact CG2-CE 4.07Å; R186-M190 VanDerWaalsContact O-CG 3.25Å; R186-M190 WeakPolarHBondContact O-CG 3.44Å; R186-M190 PolarHBondContact O-N 3.05Å; R186-M190 VanDerWaalsContact O-N 3.08Å; I188-M190 VanDerWaalsContact C-N 3.27Å; I188-M190 PolarHBondContact O-N 2.95Å; M190-E193 HydrophobicContact CE-CG 4.5Å; M190-E193 VanDerWaalsContact CE-OE1 3.27Å; M190-E193 WeakPolarHBondContact CE-OE1 3.22Å; M190-K194 WeakPolarHBondContact O-CB 3.46Å; M190-K194 PolarHBondContact O-N 3.41Å |
| 191 | L | 97.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.6 | -44.8 | 169.6 | -179.3 | 150.8 | 0 | 0 | 0 | 110.2 | T137 A145 P164 L165 A168 K187 I188 K194 Y195 | T137-L191 HydrophobicContact CG2-CD1 4.24Å; A145-L191 HydrophobicContact CB-CB 3.88Å; A145-L191 HydrophobicContact CB-CD1 3.4Å; A145-L191 VanDerWaalsContact CB-CD1 3.4Å; A145-L191 HydrophobicContact CB-CG 4.26Å; P164-L191 HydrophobicContact CB-CD1 4.2Å; L165-L191 HydrophobicContact CD1-CD1 4.38Å; A168-L191 HydrophobicContact CB-CD2 4.29Å; K187-L191 PolarHBondContact O-N 3.29Å; I188-L191 WeakPolarHBondContact O-CA 3.44Å; I188-L191 WeakPolarHBondContact O-CB 3.39Å; I188-L191 PolarHBondContact O-N 3.42Å; L191-K194 PolarHBondContact O-N 2.82Å; L191-Y195 HydrophobicContact CD2-CD2 4.38Å; L191-Y195 HydrophobicContact CG-CD2 3.99Å; L191-Y195 HydrophobicContact CG-CE2 4.47Å; L191-Y195 PolarHBondContact O-N 2.81Å |
| 192 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -49.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A168 E171 I188 F189 K194 Y195 L196 | A168-A192 HydrophobicContact CB-CB 3.57Å; E171-A192 WeakPolarHBondContact OE1-CB 3.36Å; I188-A192 PolarHBondContact O-N 3.32Å; F189-A192 PolarHBondContact O-N 2.86Å; A192-K194 PolarHBondContact O-N 2.73Å; A192-Y195 PolarHBondContact O-N 2.88Å; A192-L196 HydrophobicContact CB-CD1 4.07Å; A192-L196 HydrophobicContact CB-CG 4.36Å; A192-L196 VanDerWaalsContact O-CB 3.31Å; A192-L196 WeakPolarHBondContact O-CB 3.44Å; A192-L196 WeakPolarHBondContact O-CG 3.3Å; A192-L196 PolarHBondContact O-N 3.29Å |
| 193 | E | 96.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -29.2 | 175.7 | -85.2 | -164.5 | -127.8 | 0 | 0 | 114.4 | V17 F189 M190 P197 K203 H206 | V17-E193 VanDerWaalsContact CG1-OE1 3.25Å; V17-E193 WeakPolarHBondContact CG1-OE1 3.33Å; F189-E193 PolarHBondContact O-N 3.05Å; M190-E193 HydrophobicContact CE-CG 4.5Å; M190-E193 VanDerWaalsContact CE-OE1 3.27Å; M190-E193 WeakPolarHBondContact CE-OE1 3.22Å; E193-P197 WeakPolarHBondContact O-CD 3.41Å; E193-K203 HydrophobicContact CB-CD 4.4Å; E193-K203 HydrophobicContact CG-CD 4.08Å; E193-K203 HydrophobicContact CG-CG 4.28Å; E193-K203 VanDerWaalsContact O-CE 3.26Å; E193-K203 WeakPolarHBondContact O-CE 3.48Å; E193-K203 IonicContact OE2-NZ 3.49Å; E193-K203 PolarHBondContact OE2-NZ 2.92Å; E193-H206 IonicContact OE1-ND1 2.78Å; E193-H206 PolarHBondContact OE1-ND1 2.97Å |
| 194 | K | 95.8 | Very high | 95.3 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -74.5 | -48.9 | 175.1 | 178.3 | 177.3 | 170.6 | -176 | 0 | 111.3 | D141 M190 L191 A192 H198 | D141-K194 IonicContact OD2-NZ 2.7Å; D141-K194 PolarHBondContact OD2-NZ 3.11Å; M190-K194 WeakPolarHBondContact O-CB 3.46Å; M190-K194 PolarHBondContact O-N 3.41Å; L191-K194 PolarHBondContact O-N 2.82Å; A192-K194 PolarHBondContact O-N 2.73Å; K194-H198 PolarHBondContact O-CE1 3.35Å; K194-H198 VanDerWaalsContact O-CE1 3.23Å; K194-H198 PolarHBondContact O-ND1 3.08Å |
| 195 | Y | 95.9 | Very high | 95.5 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -98.9 | -30.5 | -164.9 | -76.3 | -78.6 | 0 | 0 | 0 | 115.5 | L133 L136 T137 D141 L191 A192 P197 H198 L199 | L133-Y195 HydrophobicContact CD1-CG 4.23Å; L136-Y195 HydrophobicContact CB-CD1 4.12Å; L136-Y195 HydrophobicContact CB-CE1 4.25Å; L136-Y195 VanDerWaalsContact O-CE1 3.23Å; L136-Y195 WeakPolarHBondContact O-CE1 3.35Å; T137-Y195 HydrophobicContact CG2-CE2 4.06Å; D141-Y195 HydrophobicContact CB-CE2 4.39Å; D141-Y195 PolarHBondContact OD2-OH 3.37Å; L191-Y195 HydrophobicContact CD2-CD2 4.38Å; L191-Y195 HydrophobicContact CG-CD2 3.99Å; L191-Y195 HydrophobicContact CG-CE2 4.47Å; L191-Y195 PolarHBondContact O-N 2.81Å; A192-Y195 PolarHBondContact O-N 2.88Å; Y195-P197 VanDerWaalsContact C-CD 3.48Å; Y195-P197 VanDerWaalsContact C-N 3.33Å; Y195-H198 WeakPolarHBondContact O-CB 3.3Å; Y195-H198 PolarHBondContact O-N 2.71Å; Y195-L199 PolarHBondContact O-N 2.83Å |
| 196 | L | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -57.4 | -37.1 | 177.7 | -66.2 | -177.4 | 0 | 0 | 0 | 113.9 | A168 L169 E171 V172 A192 H198 L199 G200 H201 | A168-L196 HydrophobicContact CB-CD2 4.4Å; A168-L196 WeakPolarHBondContact O-CD1 3.42Å; L169-L196 HydrophobicContact CD2-CD2 4.12Å; E171-L196 HydrophobicContact CB-CD1 4.21Å; E171-L196 WeakPolarHBondContact OE2-CD1 3.47Å; V172-L196 HydrophobicContact CG2-CD1 4.18Å; V172-L196 HydrophobicContact CG2-CD2 3.76Å; A192-L196 HydrophobicContact CB-CD1 4.07Å; A192-L196 HydrophobicContact CB-CG 4.36Å; A192-L196 VanDerWaalsContact O-CB 3.31Å; A192-L196 WeakPolarHBondContact O-CB 3.44Å; A192-L196 WeakPolarHBondContact O-CG 3.3Å; A192-L196 PolarHBondContact O-N 3.29Å; L196-H198 VanDerWaalsContact C-N 3.27Å; L196-H198 PolarHBondContact O-N 2.8Å; L196-L199 HydrophobicContact CD2-CD1 4.47Å; L196-L199 PolarHBondContact O-N 3.15Å; L196-G200 PolarHBondContact O-N 2.79Å; L196-H201 HydrophobicContact CB-CB 4.32Å; L196-H201 PolarHBondContact O-N 3.5Å |
| 197 | P | 95.5 | Very high | 95.7 | Very high | 57 Ų | 57 | 40 Ų | 40 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -61.5 | -30.7 | 172.5 | -26.3 | 37.2 | 0 | 0 | 0 | 114.3 | E193 Y195 L199 G200 H201 K203 | E193-P197 WeakPolarHBondContact O-CD 3.41Å; Y195-P197 VanDerWaalsContact C-CD 3.48Å; Y195-P197 VanDerWaalsContact C-N 3.33Å; P197-L199 VanDerWaalsContact C-N 3.29Å; P197-L199 PolarHBondContact O-N 2.67Å; P197-G200 PolarHBondContact O-N 3.01Å; P197-G200 VanDerWaalsContact O-N 3.16Å; P197-H201 WeakPolarHBondContact CA-O 3.44Å; P197-K203 HydrophobicContact CG-CG 3.95Å |
| 198 | H | 90.9 | Very high | 95.8 | Very high | 128 Ų | 128 | 36.4 Ų | 36.4 | 59% | 0.593 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -73.1 | -21.6 | 178.8 | -66.1 | 83.8 | 0 | 0 | 0 | 112.7 | L136 K194 Y195 L196 | L136-H198 HydrophobicContact CD1-CB 3.99Å; K194-H198 PolarHBondContact O-CE1 3.35Å; K194-H198 VanDerWaalsContact O-CE1 3.23Å; K194-H198 PolarHBondContact O-ND1 3.08Å; Y195-H198 WeakPolarHBondContact O-CB 3.3Å; Y195-H198 PolarHBondContact O-N 2.71Å; L196-H198 VanDerWaalsContact C-N 3.27Å; L196-H198 PolarHBondContact O-N 2.8Å |
| 199 | L | 89.2 | Confident | 95.6 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -84.8 | -9.2 | 171.2 | -64.9 | 177.3 | 0 | 0 | 0 | 113.4 | R132 L133 L136 L169 Y195 L196 P197 H201 | R132-L199 HydrophobicContact CB-CD2 3.54Å; R132-L199 PolarHBondContact NH2-O 2.96Å; L133-L199 HydrophobicContact CB-CD1 4.21Å; L133-L199 HydrophobicContact CD1-CD1 4.19Å; L136-L199 HydrophobicContact CD1-CD2 3.73Å; L136-L199 HydrophobicContact CD1-CG 4.31Å; L169-L199 HydrophobicContact CD2-CD1 4.02Å; Y195-L199 PolarHBondContact O-N 2.83Å; L196-L199 HydrophobicContact CD2-CD1 4.47Å; L196-L199 PolarHBondContact O-N 3.15Å; P197-L199 VanDerWaalsContact C-N 3.29Å; P197-L199 PolarHBondContact O-N 2.67Å; L199-H201 VanDerWaalsContact CB-CD2 3.49Å; L199-H201 WeakPolarHBondContact CB-CD2 3.29Å |
| 200 | G | 91.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 37.9 Ų | 37.9 | 70% | 0.701 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | 8.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L196 P197 | L196-G200 PolarHBondContact O-N 2.79Å; P197-G200 PolarHBondContact O-N 3.01Å; P197-G200 VanDerWaalsContact O-N 3.16Å |
| 201 | H | 93.9 | Very high | 94.8 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -95.4 | 152.7 | -178.2 | -50.7 | -58.7 | 0 | 0 | 0 | 112.8 | V172 L196 P197 L199 | V172-H201 HydrophobicContact CG2-CB 4.15Å; L196-H201 HydrophobicContact CB-CB 4.32Å; L196-H201 PolarHBondContact O-N 3.5Å; P197-H201 WeakPolarHBondContact CA-O 3.44Å; L199-H201 VanDerWaalsContact CB-CD2 3.49Å; L199-H201 WeakPolarHBondContact CB-CD2 3.29Å |
| 202 | K | 93.6 | Very high | 94.1 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -63 | 148.7 | 172.1 | 69 | 173.2 | -171.2 | -177.1 | 0 | 111.4 | V176 D177 R204 | V176-K202 WeakPolarHBondContact O-CE 3.44Å; V176-K202 PolarHBondContact O-NZ 3.41Å; D177-K202 IonicContact OD1-NZ 2.71Å; D177-K202 PolarHBondContact OD1-NZ 2.98Å; K202-R204 PolarHBondContact O-NH1 3.08Å |
| 203 | K | 94.8 | Very high | 93.2 | Very high | 109 Ų | 109 | 40.5 Ų | 40.5 | 47% | 0.474 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 154.6 | 159.3 | -71.1 | -170.9 | 165.5 | -155 | 0 | 110.7 | E193 P197 | E193-K203 HydrophobicContact CB-CD 4.4Å; E193-K203 HydrophobicContact CG-CD 4.08Å; E193-K203 HydrophobicContact CG-CG 4.28Å; E193-K203 VanDerWaalsContact O-CE 3.26Å; E193-K203 WeakPolarHBondContact O-CE 3.48Å; E193-K203 IonicContact OE2-NZ 3.49Å; E193-K203 PolarHBondContact OE2-NZ 2.92Å; P197-K203 HydrophobicContact CG-CG 3.95Å |
| 204 | R | 96.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 39.3 Ų | 39.3 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | trans | -108 | 161.3 | 169.7 | -84.6 | 58.5 | -177 | -167.6 | -7.4 | 110.4 | E171 V176 D177 K202 | E171-R204 HydrophobicContact CB-CG 4.02Å; E171-R204 HydrophobicContact CG-CG 4.27Å; E171-R204 VanDerWaalsContact O-CZ 3.27Å; E171-R204 PolarHBondContact O-NE 2.79Å; E171-R204 PolarHBondContact O-NH2 3.5Å; E171-R204 VanDerWaalsContact OE2-CB 3.3Å; E171-R204 WeakPolarHBondContact OE2-CB 3.44Å; E171-R204 VanDerWaalsContact OE2-CD 3.31Å; E171-R204 WeakPolarHBondContact OE2-CD 3.32Å; E171-R204 WeakPolarHBondContact OE2-CG 3.42Å; V176-R204 HydrophobicContact CG2-CG 4.3Å; V176-R204 PolarHBondContact O-NE 2.79Å; D177-R204 WeakPolarHBondContact O-CA 3.43Å; K202-R204 PolarHBondContact O-NH1 3.08Å | ||
| 205 | I | 98 | Very high | 91.1 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 137.2 | 169.5 | -61 | 156.2 | 0 | 0 | 0 | 107.7 | V17 E21 L22 L25 D177 I178 Q179 L207 | V17-I205 WeakPolarHBondContact O-CA 3.26Å; V17-I205 WeakPolarHBondContact O-CG2 3.32Å; E21-I205 HydrophobicContact CB-CD1 4.18Å; E21-I205 HydrophobicContact CB-CG1 4.02Å; L22-I205 HydrophobicContact CB-CD1 3.97Å; L22-I205 HydrophobicContact CB-CG2 4.22Å; L22-I205 HydrophobicContact CD1-CD1 4.42Å; L25-I205 HydrophobicContact CD2-CD1 4.34Å; D177-I205 PolarHBondContact O-N 2.77Å; I178-I205 VanDerWaalsContact CA-O 3.31Å; I178-I205 WeakPolarHBondContact CA-O 3.25Å; I178-I205 HydrophobicContact CB-CB 4.4Å; I178-I205 HydrophobicContact CD1-CB 4.36Å; I178-I205 HydrophobicContact CD1-CD1 4.15Å; I178-I205 HydrophobicContact CD1-CG2 4.27Å; I178-I205 HydrophobicContact CG1-CB 4.02Å; I178-I205 HydrophobicContact CG1-CD1 4.06Å; I178-I205 HydrophobicContact CG1-CG2 4.42Å; I178-I205 HydrophobicContact CG2-CB 4.24Å; I178-I205 HydrophobicContact CG2-CG2 4.2Å; I178-I205 WeakPolarHBondContact CG2-O 3.45Å; Q179-I205 PolarHBondContact N-O 3.48Å; I205-L207 HydrophobicContact CG2-CD2 4.05Å; I205-L207 HydrophobicContact CG2-CG 4.38Å |
| 206 | H | 98.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.9 | -180 | -72.3 | 107.6 | 0 | 0 | 0 | 111 | V16 V17 E171 F189 E193 M208 | V16-H206 WeakPolarHBondContact CA-O 3.3Å; V17-H206 HydrophobicContact CB-CB 4.21Å; V17-H206 PolarHBondContact N-O 3.38Å; V17-H206 PolarHBondContact O-N 2.93Å; E171-H206 IonicContact OE1-CE1 3.52Å; E171-H206 IonicContact OE1-NE2 3.33Å; E171-H206 PolarHBondContact OE1-NE2 3.1Å; F189-H206 HydrophobicContact CB-CB 4.31Å; F189-H206 VanDerWaalsContact CB-CD2 3.41Å; F189-H206 WeakPolarHBondContact CB-CD2 3.39Å; F189-H206 AromaticContact CD1-CD2 3.65Å; F189-H206 AromaticContact CD1-NE2 3.95Å; F189-H206 HydrophobicContact CD2-CB 3.8Å; F189-H206 AromaticContact CD2-CD2 3.5Å; F189-H206 VanDerWaalsContact CD2-CD2 3.5Å; F189-H206 WeakPolarHBondContact CD2-CD2 3.23Å; F189-H206 AromaticContact CD2-CG 3.84Å; F189-H206 HydrophobicContact CE2-CB 4.44Å; F189-H206 HydrophobicContact CG-CB 4.28Å; F189-H206 AromaticContact CG-CD2 3.23Å; F189-H206 WeakPolarHBondContact CG-CD2 3.38Å; F189-H206 AromaticContact CG-CG 3.82Å; F189-H206 AromaticContact CG-NE2 3.78Å; F189-H206 PolarHBondContact O-CE1 3.26Å; E193-H206 IonicContact OE1-ND1 2.78Å; E193-H206 PolarHBondContact OE1-ND1 2.97Å; H206-M208 HydrophobicContact CB-CE 4.46Å |
| 207 | L | 98.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.5 | 179.5 | -59.9 | -176.1 | 0 | 0 | 0 | 109.6 | I9 L13 V16 L22 M59 I178 Q179 F180 G181 I205 | I9-L207 HydrophobicContact CG2-CD1 3.68Å; L13-L207 HydrophobicContact CD1-CB 3.82Å; L13-L207 HydrophobicContact CD1-CD1 4.34Å; L13-L207 HydrophobicContact CD1-CD2 3.76Å; L13-L207 HydrophobicContact CD1-CG 4.17Å; V16-L207 HydrophobicContact CB-CD2 4.27Å; V16-L207 HydrophobicContact CG1-CD2 3.79Å; V16-L207 HydrophobicContact CG2-CD2 3.84Å; L22-L207 HydrophobicContact CD2-CD2 4.26Å; M59-L207 HydrophobicContact CE-CD1 3.54Å; I178-L207 HydrophobicContact CD1-CD1 4.35Å; I178-L207 HydrophobicContact CG2-CB 4.46Å; I178-L207 HydrophobicContact CG2-CD1 3.63Å; I178-L207 HydrophobicContact CG2-CG 3.64Å; Q179-L207 PolarHBondContact O-N 3.43Å; F180-L207 WeakPolarHBondContact CA-O 3.44Å; F180-L207 HydrophobicContact CB-CB 4.47Å; F180-L207 HydrophobicContact CD2-CB 3.91Å; F180-L207 VanDerWaalsContact CD2-O 3.3Å; F180-L207 WeakPolarHBondContact CD2-O 3.34Å; G181-L207 PolarHBondContact N-O 3.36Å; I205-L207 HydrophobicContact CG2-CD2 4.05Å; I205-L207 HydrophobicContact CG2-CG 4.38Å |
| 208 | M | 98 | Very high | 87 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.4 | -174.1 | -74.9 | 168.7 | -83.6 | 0 | 0 | 111.9 | Q14 E15 V17 G181 V183 R186 F189 H206 | Q14-M208 PolarHBondContact N-O 2.9Å; E15-M208 HydrophobicContact CB-CB 4.25Å; E15-M208 HydrophobicContact CB-CE 3.82Å; E15-M208 HydrophobicContact CB-SD 4.47Å; E15-M208 HydrophobicContact CG-CE 3.66Å; E15-M208 PolarHBondContact N-O 3.04Å; E15-M208 PolarHBondContact O-N 2.9Å; V17-M208 HydrophobicContact CG2-CE 3.74Å; G181-M208 CarbonylContact O-C 3.6Å; G181-M208 VanDerWaalsContact O-CA 3.28Å; G181-M208 WeakPolarHBondContact O-CA 3.25Å; V183-M208 HydrophobicContact CB-CB 4.28Å; V183-M208 HydrophobicContact CG2-SD 4.39Å; R186-M208 HydrophobicContact CB-SD 3.59Å; R186-M208 VanDerWaalsContact CB-SD 3.59Å; R186-M208 HydrophobicContact CG-CE 4.33Å; R186-M208 HydrophobicContact CG-SD 3.65Å; F189-M208 HydrophobicContact CD2-CE 4.39Å; F189-M208 HydrophobicContact CD2-CG 3.84Å; F189-M208 HydrophobicContact CD2-SD 3.9Å; F189-M208 HydrophobicContact CE2-CG 3.56Å; F189-M208 HydrophobicContact CE2-SD 4.24Å; H206-M208 HydrophobicContact CB-CE 4.46Å |
| 209 | N | 94.8 | Very high | 85.8 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 149.7 | 168.9 | 72.2 | -101 | 0 | 0 | 0 | 111.3 | L13 F180 G181 V183 | L13-N209 HydrophobicContact CD2-CB 4.46Å; F180-N209 HydrophobicContact CE2-CB 3.93Å; F180-N209 HydrophobicContact CZ-CB 4Å; F180-N209 WeakPolarHBondContact CZ-OD1 3.08Å; G181-N209 PolarHBondContact O-N 2.96Å; G181-N209 PolarHBondContact O-OD1 3.33Å; G181-N209 VanDerWaalsContact O-OD1 3.09Å; V183-N209 PolarHBondContact N-O 3.1Å |
| 210 | P | 91.6 | Very high | 84.8 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | trans | -65.5 | 155.4 | 174.3 | 25.8 | -32.8 | 0 | 0 | 0 | 112.3 | N12 Q14 V212 Y265 | N12-P210 WeakPolarHBondContact O-CD 3.45Å; Q14-P210 HydrophobicContact CB-CB 4.06Å; Q14-P210 VanDerWaalsContact OE1-CA 3.27Å; P210-V212 PolarHBondContact O-N 2.91Å; P210-Y265 HydrophobicContact CG-CD1 4.22Å; P210-Y265 HydrophobicContact CG-CE1 3.46Å; P210-Y265 VanDerWaalsContact CG-CE1 3.46Å; P210-Y265 HydrophobicContact CG-CE2 4.38Å | ||
| 211 | M | 86.2 | Confident | 83.6 | Confident | 79 Ų | 79 | 37 Ų | 37 | 39% | 0.389 | 20% | 0.2 | S | C | . | . | trans | -75.7 | 109.4 | 170 | -55.1 | -44.7 | -63.5 | 0 | 0 | 109.2 | V183 D184 | V183-M211 HydrophobicContact CG1-CG 3.67Å; V183-M211 HydrophobicContact CG1-SD 3.9Å; D184-M211 HydrophobicContact CB-CE 4.42Å; D184-M211 HydrophobicContact CB-SD 4.13Å; D184-M211 WeakPolarHBondContact OD2-CE 3.49Å | ||
| 212 | V | 82.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | trans | -80.2 | 127.4 | -178.8 | 174.7 | 0 | 0 | 0 | 0 | 110 | V51 P210 A261 Y265 | V51-V212 HydrophobicContact CB-CG2 4.48Å; V51-V212 HydrophobicContact CG1-CG2 3.93Å; V51-V212 HydrophobicContact CG2-CB 4.31Å; V51-V212 HydrophobicContact CG2-CG1 4.42Å; V51-V212 HydrophobicContact CG2-CG2 3.86Å; P210-V212 PolarHBondContact O-N 2.91Å; V212-A261 HydrophobicContact CG1-CB 3.91Å; V212-Y265 HydrophobicContact CG1-CD2 4.39Å; V212-Y265 HydrophobicContact CG2-CD2 3.53Å; V212-Y265 HydrophobicContact CG2-CE2 4.1Å; V212-Y265 HydrophobicContact CG2-CG 3.85Å | ||
| 213 | P | 78.2 | Confident | 80.5 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -65.2 | 144.6 | 177.3 | 25.9 | -33.7 | 0 | 0 | 0 | 111.7 | A261 | P213-A261 HydrophobicContact CG-CB 3.71Å |
| 214 | G | 75.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -73.4 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T216 G217 G218 | G214-T216 PolarHBondContact O-N 3.09Å; G214-G217 PolarHBondContact O-N 3.02Å; G214-G218 PolarHBondContact N-O 2.89Å | ||
| 215 | L | 74.8 | Confident | 77.8 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.9 | -176.5 | -60.5 | -176.8 | 0 | 0 | 0 | 113.2 | M220 I229 K241 L242 S245 V246 F262 | L215-M220 HydrophobicContact CG-CE 4.3Å; L215-I229 HydrophobicContact CD1-CD1 3.69Å; L215-I229 HydrophobicContact CD1-CG1 3.93Å; L215-K241 HydrophobicContact CD1-CB 4.3Å; L215-L242 HydrophobicContact CD1-CD2 4.07Å; L215-L242 HydrophobicContact CD1-CG 4.37Å; L215-L242 HydrophobicContact CD2-CD2 3.73Å; L215-S245 CarbonylContact O-C 3.59Å; L215-S245 WeakPolarHBondContact O-CA 3.5Å; L215-V246 PolarHBondContact O-N 2.91Å; L215-F262 HydrophobicContact CD2-CD2 3.93Å; L215-F262 HydrophobicContact CD2-CE2 3.85Å |
| 216 | T | 69.3 | Low | 76.4 | Confident | 77 Ų | 77 | 48 Ų | 48 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 4.1 | 174.6 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | G214 G218 | G214-T216 PolarHBondContact O-N 3.09Å; T216-G218 VanDerWaalsContact C-N 3.27Å; T216-G218 PolarHBondContact O-N 3.28Å |
| 217 | G | 63.2 | Low | 75 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 83.6 | -20 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G214 | G214-G217 PolarHBondContact O-N 3.02Š|
| 218 | G | 67.1 | Low | 74.1 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -78 | -177.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G214 T216 M220 | G214-G218 PolarHBondContact N-O 2.89Å; T216-G218 VanDerWaalsContact C-N 3.27Å; T216-G218 PolarHBondContact O-N 3.28Å; G218-M220 PolarHBondContact O-N 3.32Å |
| 219 | K | 67.1 | Low | 73.6 | Confident | 139 Ų | 139 | 49.2 Ų | 49.2 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | B | Isolated β-bridge | trans | -69.3 | 123 | 169.1 | -172.2 | 172.5 | -174.5 | 171.7 | 0 | 108.4 | D184 S221 | D184-K219 IonicContact OD2-NZ 2.74Å; D184-K219 PolarHBondContact OD2-NZ 2.94Å; K219-S221 PolarHBondContact O-N 3.41Å |
| 220 | M | 68.3 | Low | 73.4 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | trans | -58.1 | 127.3 | 178.5 | -173.1 | 174 | -71.9 | 0 | 0 | 109.9 | H46 I47 A48 L215 G218 K228 F262 | H46-M220 HydrophobicContact CB-SD 3.92Å; H46-M220 VanDerWaalsContact CG-SD 3.59Å; I47-M220 HydrophobicContact CG2-CE 4Å; I47-M220 HydrophobicContact CG2-SD 4.19Å; A48-M220 HydrophobicContact CB-SD 4Å; L215-M220 HydrophobicContact CG-CE 4.3Å; G218-M220 PolarHBondContact O-N 3.32Å; M220-K228 HydrophobicContact CG-CB 3.77Å; M220-K228 HydrophobicContact SD-CB 3.93Å; M220-F262 HydrophobicContact CE-CE2 4.13Å; M220-F262 HydrophobicContact CE-CZ 3.94Å | ||
| 221 | S | 65.8 | Low | 73.5 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 22% | 0.217 | 28% | 0.28 | C | S | . | . | trans | -112 | 138.1 | -172.4 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | K219 S223 S227 K228 | K219-S221 PolarHBondContact O-N 3.41Å; S221-S223 PolarHBondContact O-N 2.82Å; S221-S223 PolarHBondContact OG-N 2.76Å; S221-S227 PolarHBondContact N-OG 3.39Å; S221-S227 PolarHBondContact O-OG 3.47Å; S221-K228 WeakPolarHBondContact O-CD 3.36Å | ||
| 222 | S | 61.5 | Low | 73.8 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71.3 | -19.6 | 172.7 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | K228 | S222-K228 PolarHBondContact O-NZ 3.23Š|
| 223 | S | 61.6 | Low | 74.2 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 70% | 0.699 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -80.3 | -32.6 | -177.4 | -50.3 | 0 | 0 | 0 | 0 | 114.1 | S221 | S221-S223 PolarHBondContact O-N 2.82Å; S221-S223 PolarHBondContact OG-N 2.76Å |
| 224 | E | 65.9 | Low | 74.9 | Confident | 118 Ų | 118 | 48.4 Ų | 48.4 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | trans | -98.6 | 108.7 | -175.7 | -73.8 | 162.3 | -135.2 | 0 | 0 | 110 | D226 S227 | E224-D226 VanDerWaalsContact C-N 3.29Å; E224-D226 PolarHBondContact O-N 3.12Å; E224-S227 WeakPolarHBondContact CB-OG 3.42Å; E224-S227 PolarHBondContact O-N 3.38Å; E224-S227 PolarHBondContact O-OG 2.9Å | ||
| 225 | I | 69.2 | Low | 75.7 | Confident | 119 Ų | 119 | 50.9 Ų | 50.9 | 61% | 0.61 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -58.6 | -39.5 | -171.5 | -62.4 | 174.5 | 0 | 0 | 0 | 112.2 | K241 | I225-K241 PolarHBondContact O-NZ 2.86Å; I225-K241 VanDerWaalsContact O-NZ 3.16Å |
| 226 | D | 68 | Low | 76.5 | Confident | 127 Ų | 127 | 57 Ų | 57 | 68% | 0.679 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -85.8 | -16.3 | -177.2 | -53.4 | -54.6 | 0 | 0 | 0 | 113.4 | E224 K228 | E224-D226 VanDerWaalsContact C-N 3.29Å; E224-D226 PolarHBondContact O-N 3.12Å; D226-K228 PolarHBondContact O-N 3.17Å |
| 227 | S | 69.7 | Low | 77.5 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -72 | -18.8 | 177.1 | 80.6 | 0 | 0 | 0 | 0 | 113.4 | S221 E224 | S221-S227 PolarHBondContact N-OG 3.39Å; S221-S227 PolarHBondContact O-OG 3.47Å; E224-S227 WeakPolarHBondContact CB-OG 3.42Å; E224-S227 PolarHBondContact O-N 3.38Å; E224-S227 PolarHBondContact O-OG 2.9Å |
| 228 | K | 79.3 | Confident | 78.9 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -129.1 | 146.7 | -166.2 | 74 | -175.9 | -173.7 | 176.6 | 0 | 111.5 | H46 M220 S221 S222 D226 K241 | H46-K228 HydrophobicContact CB-CB 4.02Å; H46-K228 HydrophobicContact CB-CD 4.49Å; M220-K228 HydrophobicContact CG-CB 3.77Å; M220-K228 HydrophobicContact SD-CB 3.93Å; S221-K228 WeakPolarHBondContact O-CD 3.36Å; S222-K228 PolarHBondContact O-NZ 3.23Å; D226-K228 PolarHBondContact O-N 3.17Å; K228-K241 WeakPolarHBondContact O-CD 3.46Å; K228-K241 WeakPolarHBondContact O-CE 3.43Å; K228-K241 PolarHBondContact O-NZ 2.98Å |
| 229 | I | 87 | Confident | 80 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -91.8 | 120.9 | 157.4 | -67.4 | 162.7 | 0 | 0 | 0 | 107.1 | H46 I47 L215 D233 V238 K241 L242 L314 L318 | H46-I229 CarbonylContact C-O 3.58Å; H46-I229 WeakPolarHBondContact CA-O 3.48Å; H46-I229 VanDerWaalsContact CB-O 3.22Å; H46-I229 WeakPolarHBondContact CB-O 3.35Å; I47-I229 HydrophobicContact CB-CB 3.97Å; I47-I229 HydrophobicContact CB-CG2 4.14Å; I47-I229 HydrophobicContact CG2-CB 3.78Å; I47-I229 HydrophobicContact CG2-CD1 4.37Å; I47-I229 HydrophobicContact CG2-CG2 4.49Å; I47-I229 PolarHBondContact N-O 3.08Å; L215-I229 HydrophobicContact CD1-CD1 3.69Å; L215-I229 HydrophobicContact CD1-CG1 3.93Å; I229-D233 VanDerWaalsContact CA-OD2 3.3Å; I229-D233 WeakPolarHBondContact CA-OD2 3.44Å; I229-D233 HydrophobicContact CG2-CB 4.26Å; I229-V238 HydrophobicContact CD1-CG1 4.11Å; I229-V238 HydrophobicContact CG2-CG2 3.95Å; I229-K241 HydrophobicContact CG1-CB 4.18Å; I229-K241 HydrophobicContact CG1-CD 4.08Å; I229-L242 HydrophobicContact CD1-CD1 4.21Å; I229-L242 HydrophobicContact CD1-CG 4.14Å; I229-L314 HydrophobicContact CD1-CD1 4.48Å; I229-L318 HydrophobicContact CG2-CD1 4.12Å | ||
| 230 | D | 90.3 | Very high | 81.1 | Confident | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 148.8 | 169.8 | -163.9 | -69.3 | 0 | 0 | 0 | 109.1 | R44 L232 D233 | R44-D230 WeakPolarHBondContact CD-OD2 3.23Å; D230-L232 PolarHBondContact O-N 2.95Å; D230-L232 VanDerWaalsContact O-N 3.08Å; D230-L232 PolarHBondContact OD1-N 2.89Å; D230-L232 VanDerWaalsContact OD1-N 3.1Å; D230-D233 PolarHBondContact N-OD2 3.35Å; D230-D233 PolarHBondContact O-N 2.85Å; D230-D233 VanDerWaalsContact O-N 3.11Å |
| 231 | L | 92.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.1 | 179.1 | -63.5 | 178.4 | 0 | 0 | 0 | 113.2 | P45 I47 F50 V97 M101 L318 I321 | P45-L231 HydrophobicContact CB-CD1 3.88Å; I47-L231 HydrophobicContact CD1-CD2 4.4Å; F50-L231 HydrophobicContact CD2-CD2 4.42Å; F50-L231 HydrophobicContact CE2-CD2 4.02Å; V97-L231 HydrophobicContact CB-CD1 4.02Å; V97-L231 HydrophobicContact CG2-CD1 4.2Å; M101-L231 HydrophobicContact CE-CD2 4.44Å; M101-L231 HydrophobicContact CG-CD1 4.35Å; M101-L231 HydrophobicContact SD-CD1 3.65Å; L231-L318 HydrophobicContact CB-CD2 4.37Å; L231-L318 HydrophobicContact CD2-CD2 3.8Å; L231-I321 HydrophobicContact CD2-CD1 4.48Å |
| 232 | L | 93.1 | Very high | 83.1 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 10.3 | 176.1 | -54.8 | 179.2 | 0 | 0 | 0 | 113.5 | Y93 D230 I321 F325 V334 | Y93-L232 HydrophobicContact CE2-CD1 4.35Å; D230-L232 PolarHBondContact O-N 2.95Å; D230-L232 VanDerWaalsContact O-N 3.08Å; D230-L232 PolarHBondContact OD1-N 2.89Å; D230-L232 VanDerWaalsContact OD1-N 3.1Å; L232-I321 HydrophobicContact CD2-CG2 4.18Å; L232-F325 HydrophobicContact CD1-CB 4.49Å; L232-F325 HydrophobicContact CD1-CD1 3.97Å; L232-F325 HydrophobicContact CD1-CE1 4.44Å; L232-F325 HydrophobicContact CD1-CG 4.16Å; L232-F325 HydrophobicContact CD2-CB 3.75Å; L232-F325 HydrophobicContact CD2-CD1 4.34Å; L232-F325 HydrophobicContact CD2-CD2 3.84Å; L232-F325 HydrophobicContact CD2-CG 3.7Å; L232-V334 HydrophobicContact CD1-CG2 4.1Å |
| 233 | D | 91 | Very high | 84.4 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | trans | -62.1 | 135.3 | 170.1 | -83.8 | -31.5 | 0 | 0 | 0 | 109.7 | I229 D230 F237 V238 K241 Q322 | I229-D233 VanDerWaalsContact CA-OD2 3.3Å; I229-D233 WeakPolarHBondContact CA-OD2 3.44Å; I229-D233 HydrophobicContact CG2-CB 4.26Å; D230-D233 PolarHBondContact N-OD2 3.35Å; D230-D233 PolarHBondContact O-N 2.85Å; D230-D233 VanDerWaalsContact O-N 3.11Å; D233-F237 HydrophobicContact CB-CB 4.29Å; D233-V238 HydrophobicContact CB-CG2 4.02Å; D233-K241 IonicContact OD1-NZ 2.79Å; D233-K241 PolarHBondContact OD1-NZ 3.43Å; D233-K241 IonicContact OD2-NZ 3.19Å; D233-K241 PolarHBondContact OD2-NZ 2.82Å; D233-Q322 PolarHBondContact O-NE2 3.06Å | ||
| 234 | P | 92.5 | Very high | 85.5 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | trans | -73.5 | 159.5 | 176.4 | 31.5 | -36.7 | 0 | 0 | 0 | 111.9 | E236 F237 V238 | P234-E236 PolarHBondContact O-N 2.89Å; P234-F237 HydrophobicContact CG-CB 4.06Å; P234-F237 HydrophobicContact CG-CD2 3.7Å; P234-F237 HydrophobicContact CG-CE2 4.44Å; P234-F237 HydrophobicContact CG-CG 4.03Å; P234-F237 WeakPolarHBondContact O-CB 3.41Å; P234-F237 PolarHBondContact O-N 2.94Å; P234-V238 PolarHBondContact O-N 3.11Å | ||
| 235 | P | 92.2 | Very high | 86.4 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55 | -31.8 | -171.3 | -28.7 | 37 | 0 | 0 | 0 | 115.4 | A239 | P235-A239 WeakPolarHBondContact O-CB 3.28Å; P235-A239 PolarHBondContact O-N 3.46Å |
| 236 | E | 92.3 | Very high | 86.9 | Confident | 133 Ų | 133 | 45.3 Ų | 45.3 | 62% | 0.621 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.3 | -37.2 | 178 | -55.5 | 75 | -165.2 | 0 | 0 | 111.7 | P234 S240 | P234-E236 PolarHBondContact O-N 2.89Å; E236-S240 WeakPolarHBondContact O-CB 3.44Å; E236-S240 PolarHBondContact O-N 3.17Å |
| 237 | F | 90 | Very high | 87.8 | Confident | 123 Ų | 123 | 39.6 Ų | 39.6 | 54% | 0.539 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.6 | -39.2 | 175.3 | -85.1 | -119.9 | 0 | 0 | 0 | 110.9 | D233 P234 S240 K241 | D233-F237 HydrophobicContact CB-CB 4.29Å; P234-F237 HydrophobicContact CG-CB 4.06Å; P234-F237 HydrophobicContact CG-CD2 3.7Å; P234-F237 HydrophobicContact CG-CE2 4.44Å; P234-F237 HydrophobicContact CG-CG 4.03Å; P234-F237 WeakPolarHBondContact O-CB 3.41Å; P234-F237 PolarHBondContact O-N 2.94Å; F237-S240 PolarHBondContact O-N 3.1Å; F237-K241 WeakPolarHBondContact O-CB 3.3Å; F237-K241 WeakPolarHBondContact O-CG 3.36Å; F237-K241 PolarHBondContact O-N 3.03Å |
| 238 | V | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -48.6 | 172.1 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | I229 D233 P234 K241 L242 N315 L318 | I229-V238 HydrophobicContact CD1-CG1 4.11Å; I229-V238 HydrophobicContact CG2-CG2 3.95Å; D233-V238 HydrophobicContact CB-CG2 4.02Å; P234-V238 PolarHBondContact O-N 3.11Å; V238-K241 PolarHBondContact O-N 3.08Å; V238-L242 HydrophobicContact CG1-CD1 3.88Å; V238-L242 WeakPolarHBondContact O-CB 3.34Å; V238-L242 WeakPolarHBondContact O-CG 3.29Å; V238-L242 PolarHBondContact O-N 3.49Å; V238-L242 VanDerWaalsContact O-N 3.07Å; V238-N315 WeakPolarHBondContact CB-OD1 3.31Å; V238-N315 WeakPolarHBondContact CG1-OD1 3.13Å; V238-L318 HydrophobicContact CG2-CD1 3.79Å |
| 239 | A | 91.5 | Very high | 88.6 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P235 L242 A243 T311 | P235-A239 WeakPolarHBondContact O-CB 3.28Å; P235-A239 PolarHBondContact O-N 3.46Å; A239-L242 PolarHBondContact O-N 3.15Å; A239-A243 WeakPolarHBondContact O-CB 3.17Å; A239-A243 PolarHBondContact O-N 3.07Å; A239-T311 HydrophobicContact CB-CG2 3.84Å |
| 240 | S | 89.9 | Confident | 88.4 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.6 | -49 | 177.6 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | E236 F237 L242 A243 S244 | E236-S240 WeakPolarHBondContact O-CB 3.44Å; E236-S240 PolarHBondContact O-N 3.17Å; F237-S240 PolarHBondContact O-N 3.1Å; S240-L242 VanDerWaalsContact C-N 3.28Å; S240-L242 PolarHBondContact O-N 3.34Å; S240-A243 WeakPolarHBondContact O-CB 3.33Å; S240-A243 PolarHBondContact O-N 3.09Å; S240-S244 PolarHBondContact O-N 3.33Å; S240-S244 PolarHBondContact O-OG 2.89Å |
| 241 | K | 88.5 | Confident | 88.2 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.4 | -26.1 | 178.3 | -69 | 176.2 | 177.6 | -175.4 | 0 | 113.3 | L215 I225 K228 I229 D233 F237 V238 S244 | L215-K241 HydrophobicContact CD1-CB 4.3Å; I225-K241 PolarHBondContact O-NZ 2.86Å; I225-K241 VanDerWaalsContact O-NZ 3.16Å; K228-K241 WeakPolarHBondContact O-CD 3.46Å; K228-K241 WeakPolarHBondContact O-CE 3.43Å; K228-K241 PolarHBondContact O-NZ 2.98Å; I229-K241 HydrophobicContact CG1-CB 4.18Å; I229-K241 HydrophobicContact CG1-CD 4.08Å; D233-K241 IonicContact OD1-NZ 2.79Å; D233-K241 PolarHBondContact OD1-NZ 3.43Å; D233-K241 IonicContact OD2-NZ 3.19Å; D233-K241 PolarHBondContact OD2-NZ 2.82Å; F237-K241 WeakPolarHBondContact O-CB 3.3Å; F237-K241 WeakPolarHBondContact O-CG 3.36Å; F237-K241 PolarHBondContact O-N 3.03Å; V238-K241 PolarHBondContact O-N 3.08Å; K241-S244 PolarHBondContact O-OG 3.37Å |
| 242 | L | 88.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -82.8 | -30.4 | 172.9 | -75.7 | 163 | 0 | 0 | 0 | 112.8 | L215 I229 V238 A239 S240 S245 R307 V310 T311 L314 | L215-L242 HydrophobicContact CD1-CD2 4.07Å; L215-L242 HydrophobicContact CD1-CG 4.37Å; L215-L242 HydrophobicContact CD2-CD2 3.73Å; I229-L242 HydrophobicContact CD1-CD1 4.21Å; I229-L242 HydrophobicContact CD1-CG 4.14Å; V238-L242 HydrophobicContact CG1-CD1 3.88Å; V238-L242 WeakPolarHBondContact O-CB 3.34Å; V238-L242 WeakPolarHBondContact O-CG 3.29Å; V238-L242 PolarHBondContact O-N 3.49Å; V238-L242 VanDerWaalsContact O-N 3.07Å; A239-L242 PolarHBondContact O-N 3.15Å; S240-L242 VanDerWaalsContact C-N 3.28Å; S240-L242 PolarHBondContact O-N 3.34Å; L242-S245 WeakPolarHBondContact O-CB 3.47Å; L242-S245 PolarHBondContact O-N 2.89Å; L242-S245 PolarHBondContact O-OG 3.29Å; L242-R307 WeakPolarHBondContact O-CD 3.37Å; L242-R307 PolarHBondContact O-NE 3.31Å; L242-V310 HydrophobicContact CD1-CG1 4.22Å; L242-V310 HydrophobicContact CD2-CG1 3.82Å; L242-T311 HydrophobicContact CD1-CG2 4.41Å; L242-T311 VanDerWaalsContact CD1-OG1 3.24Å; L242-T311 WeakPolarHBondContact CD1-OG1 3.41Å; L242-L314 HydrophobicContact CD1-CD1 4.17Å |
| 243 | A | 87.7 | Confident | 87.6 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 55% | 0.554 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A239 S240 S245 | A239-A243 WeakPolarHBondContact O-CB 3.17Å; A239-A243 PolarHBondContact O-N 3.07Å; S240-A243 WeakPolarHBondContact O-CB 3.33Å; S240-A243 PolarHBondContact O-N 3.09Å; A243-S245 VanDerWaalsContact C-N 3.28Å; A243-S245 PolarHBondContact O-N 3.1Å |
| 244 | S | 84.8 | Confident | 87 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 64% | 0.643 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.5 | 176.2 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | S240 K241 | S240-S244 PolarHBondContact O-N 3.33Å; S240-S244 PolarHBondContact O-OG 2.89Å; K241-S244 PolarHBondContact O-OG 3.37Å |
| 245 | S | 85.3 | Confident | 86.6 | Confident | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -67.5 | 147.8 | -174.7 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | L215 L242 A243 C247 V259 R307 | L215-S245 CarbonylContact O-C 3.59Å; L215-S245 WeakPolarHBondContact O-CA 3.5Å; L242-S245 WeakPolarHBondContact O-CB 3.47Å; L242-S245 PolarHBondContact O-N 2.89Å; L242-S245 PolarHBondContact O-OG 3.29Å; A243-S245 VanDerWaalsContact C-N 3.28Å; A243-S245 PolarHBondContact O-N 3.1Å; S245-C247 PolarHBondContact O-N 3.5Å; S245-C247 VanDerWaalsContact O-N 3.12Å; S245-V259 VanDerWaalsContact OG-CG2 3.23Å; S245-V259 WeakPolarHBondContact OG-CG2 3.21Å; S245-R307 PolarHBondContact O-NH2 3.33Å |
| 246 | V | 80.5 | Confident | 86.1 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -74.5 | 98.5 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | L215 P248 | L215-V246 PolarHBondContact O-N 2.91Å; V246-P248 VanDerWaalsContact C-CD 3.47Å; V246-P248 HydrophobicContact CG1-CG 4.3Å | ||
| 247 | C | 85.9 | Confident | 85.9 | Confident | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | trans | -130 | 64.7 | 177.6 | -165.9 | 0 | 0 | 0 | 0 | 111 | S245 V259 Y296 S303 | S245-C247 PolarHBondContact O-N 3.5Å; S245-C247 VanDerWaalsContact O-N 3.12Å; C247-V259 HydrophobicContact CB-CB 4.25Å; C247-V259 HydrophobicContact CB-CG2 3.77Å; C247-Y296 PolarHBondContact O-OH 2.88Å; C247-Y296 VanDerWaalsContact O-OH 3.12Å; C247-Y296 PolarHBondContact SG-OH 2.71Å; C247-S303 WeakPolarHBondContact O-CB 3.5Å; C247-S303 PolarHBondContact O-OG 3.17Å | ||
| 248 | P | 82.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 28% | 0.279 | 27% | 0.269 | S | S | . | . | trans | -75.9 | 145.7 | -178 | 31.2 | -34.1 | 0 | 0 | 0 | 111.5 | V246 M251 Y296 | V246-P248 VanDerWaalsContact C-CD 3.47Å; V246-P248 HydrophobicContact CG1-CG 4.3Å; P248-M251 HydrophobicContact CG-CB 3.89Å; P248-M251 HydrophobicContact CG-CE 3.52Å; P248-M251 HydrophobicContact CG-CG 4.34Å; P248-M251 HydrophobicContact CG-SD 3.57Å; P248-M251 VanDerWaalsContact CG-SD 3.57Å; P248-Y296 PolarHBondContact O-OH 3.4Å | ||
| 249 | P | 82.7 | Confident | 85.7 | Confident | 73 Ų | 73 | 44.2 Ų | 44.2 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 153.4 | 179.2 | 28.1 | -35.3 | 0 | 0 | 0 | 111.4 | M251 | P249-M251 PolarHBondContact O-N 2.88Š|
| 250 | N | 82.3 | Confident | 85.7 | Confident | 91 Ų | 91 | 42.3 Ų | 42.3 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 12.4 | -179.9 | -44.1 | -59.5 | 0 | 0 | 0 | 116 | L297 N299 | N250-L297 WeakPolarHBondContact O-CD2 3.46Å; N250-L297 PolarHBondContact OD1-O 2.8Å; N250-N299 PolarHBondContact OD1-ND2 3.15Å |
| 251 | M | 86 | Confident | 85.7 | Confident | 44 Ų | 44 | 38.6 Ų | 38.6 | 22% | 0.217 | 23% | 0.227 | C | C | . | . | trans | -112.8 | 126.6 | -179.2 | -161.1 | 171.2 | 93.5 | 0 | 0 | 112.3 | P248 P249 Q255 N257 L260 | P248-M251 HydrophobicContact CG-CB 3.89Å; P248-M251 HydrophobicContact CG-CE 3.52Å; P248-M251 HydrophobicContact CG-CG 4.34Å; P248-M251 HydrophobicContact CG-SD 3.57Å; P248-M251 VanDerWaalsContact CG-SD 3.57Å; P249-M251 PolarHBondContact O-N 2.88Å; M251-Q255 WeakPolarHBondContact CE-O 3.23Å; M251-Q255 HydrophobicContact CG-CB 3.47Å; M251-Q255 VanDerWaalsContact CG-CB 3.47Å; M251-Q255 HydrophobicContact SD-CB 4.38Å; M251-N257 HydrophobicContact CE-CB 4.06Å; M251-N257 PolarHBondContact O-ND2 3.41Å; M251-L260 VanDerWaalsContact O-CD1 3.31Å; M251-L260 WeakPolarHBondContact O-CD1 3.27Å | ||
| 252 | T | 88.2 | Confident | 85.8 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 16% | 0.16 | 22% | 0.224 | C | C | . | . | trans | -76.9 | 167 | -179.3 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | E254 Q255 N257 E293 L297 | T252-E254 PolarHBondContact O-N 2.96Å; T252-E254 PolarHBondContact OG1-N 3.35Å; T252-Q255 PolarHBondContact O-N 3.26Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.25Å; T252-Q255 PolarHBondContact OG1-N 2.86Å; T252-Q255 VanDerWaalsContact OG1-N 3.16Å; T252-Q255 PolarHBondContact OG1-OE1 3.45Å; T252-N257 WeakPolarHBondContact O-CB 3.47Å; T252-N257 PolarHBondContact O-N 3.21Å; T252-N257 VanDerWaalsContact O-N 3.14Å; T252-E293 VanDerWaalsContact CB-OE2 3.32Å; T252-E293 WeakPolarHBondContact CB-OE2 3.24Å; T252-E293 HydrophobicContact CG2-CG 4.43Å; T252-L297 HydrophobicContact CG2-CD1 4.07Å; T252-L297 HydrophobicContact CG2-CD2 4.2Å | ||
| 253 | A | 84.9 | Confident | 86 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -38.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q255 G256 L260 A261 K264 Y289 E293 | A253-Q255 VanDerWaalsContact C-N 3.29Å; A253-Q255 PolarHBondContact O-N 3.03Å; A253-G256 PolarHBondContact O-N 3.46Å; A253-G256 VanDerWaalsContact O-N 3.1Å; A253-L260 HydrophobicContact CB-CB 3.94Å; A253-A261 HydrophobicContact CB-CB 3.97Å; A253-K264 HydrophobicContact CB-CD 4.24Å; A253-Y289 WeakPolarHBondContact CB-OH 3.15Å; A253-E293 PolarHBondContact N-OE2 3.42Å |
| 254 | E | 80.3 | Confident | 86.2 | Confident | 147 Ų | 147 | 36 Ų | 36 | 69% | 0.687 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -20.3 | -178.8 | -72 | 163.4 | -157.6 | 0 | 0 | 112.9 | T252 G256 K264 | T252-E254 PolarHBondContact O-N 2.96Å; T252-E254 PolarHBondContact OG1-N 3.35Å; E254-G256 VanDerWaalsContact C-N 3.28Å; E254-K264 IonicContact OE1-NZ 3.83Å; E254-K264 PolarHBondContact OE1-NZ 2.96Å |
| 255 | Q | 83.8 | Confident | 86.5 | Confident | 120 Ų | 120 | 33 Ų | 33 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6 | 169.8 | -69.9 | 166.9 | -26.8 | 0 | 0 | 112.9 | M251 T252 A253 | M251-Q255 WeakPolarHBondContact CE-O 3.23Å; M251-Q255 HydrophobicContact CG-CB 3.47Å; M251-Q255 VanDerWaalsContact CG-CB 3.47Å; M251-Q255 HydrophobicContact SD-CB 4.38Å; T252-Q255 PolarHBondContact O-N 3.26Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.25Å; T252-Q255 PolarHBondContact OG1-N 2.86Å; T252-Q255 VanDerWaalsContact OG1-N 3.16Å; T252-Q255 PolarHBondContact OG1-OE1 3.45Å; A253-Q255 VanDerWaalsContact C-N 3.29Å; A253-Q255 PolarHBondContact O-N 3.03Å |
| 256 | G | 81.4 | Confident | 86.9 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | 9.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A253 E254 G258 | A253-G256 PolarHBondContact O-N 3.46Å; A253-G256 VanDerWaalsContact O-N 3.1Å; E254-G256 VanDerWaalsContact C-N 3.28Å; G256-G258 PolarHBondContact O-N 3.22Å |
| 257 | N | 88.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -72.7 | 95.2 | 176.2 | -174 | -29.4 | 0 | 0 | 0 | 110.2 | M251 T252 V259 L260 A261 | M251-N257 HydrophobicContact CE-CB 4.06Å; M251-N257 PolarHBondContact O-ND2 3.41Å; T252-N257 WeakPolarHBondContact O-CB 3.47Å; T252-N257 PolarHBondContact O-N 3.21Å; T252-N257 VanDerWaalsContact O-N 3.14Å; N257-V259 VanDerWaalsContact C-N 3.29Å; N257-V259 PolarHBondContact O-N 3.29Å; N257-V259 PolarHBondContact OD1-N 3.39Å; N257-L260 HydrophobicContact CB-CB 4.13Å; N257-L260 HydrophobicContact CB-CD1 4.2Å; N257-L260 HydrophobicContact CB-CG 4.38Å; N257-L260 WeakPolarHBondContact ND2-CD1 3.36Å; N257-L260 PolarHBondContact O-N 3.47Å; N257-L260 PolarHBondContact OD1-N 3.13Å; N257-L260 VanDerWaalsContact OD1-N 3.12Å; N257-A261 PolarHBondContact O-N 3.45Å | ||
| 258 | G | 85.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.5 | -39.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G256 A261 F262 | G256-G258 PolarHBondContact O-N 3.22Å; G258-A261 PolarHBondContact O-N 2.97Å; G258-A261 VanDerWaalsContact O-N 3.14Å; G258-F262 VanDerWaalsContact O-CD2 3.29Å; G258-F262 WeakPolarHBondContact O-CD2 3.34Å; G258-F262 PolarHBondContact O-N 2.82Å |
| 259 | V | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -45.7 | -179.8 | -175.8 | 0 | 0 | 0 | 0 | 111 | S245 C247 N257 A261 F262 L263 L306 R307 V310 | S245-V259 VanDerWaalsContact OG-CG2 3.23Å; S245-V259 WeakPolarHBondContact OG-CG2 3.21Å; C247-V259 HydrophobicContact CB-CB 4.25Å; C247-V259 HydrophobicContact CB-CG2 3.77Å; N257-V259 VanDerWaalsContact C-N 3.29Å; N257-V259 PolarHBondContact O-N 3.29Å; N257-V259 PolarHBondContact OD1-N 3.39Å; V259-A261 VanDerWaalsContact C-N 3.31Å; V259-A261 PolarHBondContact O-N 3.18Å; V259-F262 PolarHBondContact O-N 3.48Å; V259-L263 WeakPolarHBondContact O-CG 3.48Å; V259-L263 PolarHBondContact O-N 2.97Å; V259-L263 VanDerWaalsContact O-N 3.11Å; V259-L306 HydrophobicContact CG1-CB 3.9Å; V259-R307 HydrophobicContact CG2-CG 4.42Å; V259-V310 HydrophobicContact CG1-CB 4.36Å; V259-V310 HydrophobicContact CG1-CG2 3.8Å |
| 260 | L | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -34.5 | 171.8 | -76 | -177.8 | 0 | 0 | 0 | 112.4 | M251 A253 N257 L263 K264 Y289 Y296 L306 | M251-L260 VanDerWaalsContact O-CD1 3.31Å; M251-L260 WeakPolarHBondContact O-CD1 3.27Å; A253-L260 HydrophobicContact CB-CB 3.94Å; N257-L260 HydrophobicContact CB-CB 4.13Å; N257-L260 HydrophobicContact CB-CD1 4.2Å; N257-L260 HydrophobicContact CB-CG 4.38Å; N257-L260 WeakPolarHBondContact ND2-CD1 3.36Å; N257-L260 PolarHBondContact O-N 3.47Å; N257-L260 PolarHBondContact OD1-N 3.13Å; N257-L260 VanDerWaalsContact OD1-N 3.12Å; L260-L263 HydrophobicContact CD2-CD1 4.23Å; L260-L263 WeakPolarHBondContact O-CB 3.15Å; L260-L263 PolarHBondContact O-N 2.86Å; L260-K264 WeakPolarHBondContact O-CB 3.24Å; L260-K264 PolarHBondContact O-N 3.06Å; L260-Y289 HydrophobicContact CB-CE2 4.48Å; L260-Y289 HydrophobicContact CD2-CE2 4.38Å; L260-Y289 WeakPolarHBondContact O-CE2 3.33Å; L260-Y296 HydrophobicContact CD1-CD1 3.79Å; L260-Y296 HydrophobicContact CD1-CE1 4.05Å; L260-Y296 HydrophobicContact CD2-CD1 4.46Å; L260-Y296 HydrophobicContact CG-CD1 4.41Å; L260-L306 HydrophobicContact CD2-CD1 3.74Å; L260-L306 HydrophobicContact CG-CD1 4.34Å |
| 261 | A | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.4 | -40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V212 P213 A253 N257 G258 V259 L263 K264 Y265 | V212-A261 HydrophobicContact CG1-CB 3.91Å; P213-A261 HydrophobicContact CG-CB 3.71Å; A253-A261 HydrophobicContact CB-CB 3.97Å; N257-A261 PolarHBondContact O-N 3.45Å; G258-A261 PolarHBondContact O-N 2.97Å; G258-A261 VanDerWaalsContact O-N 3.14Å; V259-A261 VanDerWaalsContact C-N 3.31Å; V259-A261 PolarHBondContact O-N 3.18Å; A261-L263 VanDerWaalsContact C-N 3.32Å; A261-L263 PolarHBondContact O-N 3.42Å; A261-K264 PolarHBondContact O-N 3.36Å; A261-Y265 HydrophobicContact CB-CD2 4.31Å; A261-Y265 WeakPolarHBondContact O-CB 3.43Å; A261-Y265 VanDerWaalsContact O-CD2 3.25Å; A261-Y265 WeakPolarHBondContact O-CD2 3.3Å; A261-Y265 PolarHBondContact O-N 2.89Å |
| 262 | F | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.4 | -36.4 | 170.4 | -83 | -76.1 | 0 | 0 | 0 | 112.2 | I47 A48 L215 M220 G258 V259 V266 I267 V310 L314 | I47-F262 HydrophobicContact CG1-CE1 4.2Å; I47-F262 HydrophobicContact CG2-CE1 3.77Å; I47-F262 HydrophobicContact CG2-CZ 3.64Å; A48-F262 HydrophobicContact CB-CZ 4.2Å; L215-F262 HydrophobicContact CD2-CD2 3.93Å; L215-F262 HydrophobicContact CD2-CE2 3.85Å; M220-F262 HydrophobicContact CE-CE2 4.13Å; M220-F262 HydrophobicContact CE-CZ 3.94Å; G258-F262 VanDerWaalsContact O-CD2 3.29Å; G258-F262 WeakPolarHBondContact O-CD2 3.34Å; G258-F262 PolarHBondContact O-N 2.82Å; V259-F262 PolarHBondContact O-N 3.48Å; F262-V266 HydrophobicContact CD1-CB 4.21Å; F262-V266 HydrophobicContact CD1-CG2 3.78Å; F262-V266 HydrophobicContact CE1-CG2 4.18Å; F262-V266 WeakPolarHBondContact O-CA 3.38Å; F262-V266 WeakPolarHBondContact O-CB 3.49Å; F262-V266 PolarHBondContact O-N 3.07Å; F262-I267 PolarHBondContact O-N 2.97Å; F262-V310 HydrophobicContact CB-CG1 4.39Å; F262-L314 HydrophobicContact CD1-CD2 4.45Å |
| 263 | L | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -61 | -48.6 | 170.7 | -74.5 | 159.8 | 0 | 0 | 0 | 111.8 | V259 L260 A261 I267 F268 L277 Y289 L306 V309 V310 | V259-L263 WeakPolarHBondContact O-CG 3.48Å; V259-L263 PolarHBondContact O-N 2.97Å; V259-L263 VanDerWaalsContact O-N 3.11Å; L260-L263 HydrophobicContact CD2-CD1 4.23Å; L260-L263 WeakPolarHBondContact O-CB 3.15Å; L260-L263 PolarHBondContact O-N 2.86Å; A261-L263 VanDerWaalsContact C-N 3.32Å; A261-L263 PolarHBondContact O-N 3.42Å; L263-I267 HydrophobicContact CD2-CB 4.34Å; L263-I267 HydrophobicContact CD2-CD1 3.84Å; L263-I267 HydrophobicContact CD2-CG2 4.4Å; L263-I267 HydrophobicContact CG-CD1 4.36Å; L263-F268 HydrophobicContact CB-CD2 4.43Å; L263-F268 WeakPolarHBondContact O-CB 3.48Å; L263-F268 WeakPolarHBondContact O-CD2 3.21Å; L263-F268 PolarHBondContact O-N 3.34Å; L263-L277 HydrophobicContact CD2-CD2 3.74Å; L263-Y289 HydrophobicContact CB-CD2 4.35Å; L263-Y289 HydrophobicContact CB-CE2 4.3Å; L263-L306 HydrophobicContact CD1-CB 4.46Å; L263-L306 HydrophobicContact CD1-CD1 4.44Å; L263-L306 HydrophobicContact CD1-CD2 3.87Å; L263-L306 HydrophobicContact CD1-CG 4.5Å; L263-V309 HydrophobicContact CD2-CG1 4.43Å; L263-V310 HydrophobicContact CD1-CG2 3.93Å; L263-V310 HydrophobicContact CD2-CG2 3.85Å; L263-V310 HydrophobicContact CG-CG2 3.58Å |
| 264 | K | 92.6 | Very high | 88 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 13% | 0.13 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -64.2 | -46.1 | -177.9 | -166.8 | 170.3 | -174.7 | 166.8 | 0 | 113.6 | N12 A253 E254 L260 A261 Y289 | N12-K264 PolarHBondContact ND2-O 3.27Å; A253-K264 HydrophobicContact CB-CD 4.24Å; E254-K264 IonicContact OE1-NZ 3.83Å; E254-K264 PolarHBondContact OE1-NZ 2.96Å; L260-K264 WeakPolarHBondContact O-CB 3.24Å; L260-K264 PolarHBondContact O-N 3.06Å; A261-K264 PolarHBondContact O-N 3.36Å; K264-Y289 HydrophobicContact CB-CD1 4.32Å; K264-Y289 HydrophobicContact CB-CD2 3.71Å; K264-Y289 HydrophobicContact CB-CE1 4.18Å; K264-Y289 HydrophobicContact CB-CE2 3.54Å; K264-Y289 HydrophobicContact CB-CG 4.1Å; K264-Y289 HydrophobicContact CD-CD1 4.02Å; K264-Y289 HydrophobicContact CD-CE1 3.58Å; K264-Y289 HydrophobicContact CD-CE2 4.43Å; K264-Y289 HydrophobicContact CG-CD1 3.86Å; K264-Y289 HydrophobicContact CG-CD2 4.15Å; K264-Y289 HydrophobicContact CG-CE1 3.87Å; K264-Y289 HydrophobicContact CG-CE2 4.14Å; K264-Y289 HydrophobicContact CG-CG 4Å |
| 265 | Y | 91.6 | Very high | 88.4 | Confident | 27 Ų | 27 | 39 Ų | 39 | 11% | 0.106 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -105.8 | -18.2 | -166.6 | -62.2 | -67.8 | 0 | 0 | 0 | 114.9 | N12 P210 V212 A261 | N12-Y265 HydrophobicContact CB-CD1 4.07Å; N12-Y265 HydrophobicContact CB-CE1 4.15Å; P210-Y265 HydrophobicContact CG-CD1 4.22Å; P210-Y265 HydrophobicContact CG-CE1 3.46Å; P210-Y265 VanDerWaalsContact CG-CE1 3.46Å; P210-Y265 HydrophobicContact CG-CE2 4.38Å; V212-Y265 HydrophobicContact CG1-CD2 4.39Å; V212-Y265 HydrophobicContact CG2-CD2 3.53Å; V212-Y265 HydrophobicContact CG2-CE2 4.1Å; V212-Y265 HydrophobicContact CG2-CG 3.85Å; A261-Y265 HydrophobicContact CB-CD2 4.31Å; A261-Y265 WeakPolarHBondContact O-CB 3.43Å; A261-Y265 VanDerWaalsContact O-CD2 3.25Å; A261-Y265 WeakPolarHBondContact O-CD2 3.3Å; A261-Y265 PolarHBondContact O-N 2.89Å |
| 266 | V | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -115.6 | -50.3 | 179.5 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | F50 V51 I54 F262 L314 L317 | F50-V266 HydrophobicContact CB-CG1 3.86Å; F50-V266 HydrophobicContact CB-CG2 3.87Å; F50-V266 HydrophobicContact CG-CG1 4.35Å; V51-V266 HydrophobicContact CG2-CG2 3.79Å; I54-V266 HydrophobicContact CD1-CB 4.19Å; I54-V266 HydrophobicContact CD1-CG1 3.9Å; I54-V266 HydrophobicContact CD1-CG2 4.45Å; I54-V266 WeakPolarHBondContact CD1-O 3.32Å; F262-V266 HydrophobicContact CD1-CB 4.21Å; F262-V266 HydrophobicContact CD1-CG2 3.78Å; F262-V266 HydrophobicContact CE1-CG2 4.18Å; F262-V266 WeakPolarHBondContact O-CA 3.38Å; F262-V266 WeakPolarHBondContact O-CB 3.49Å; F262-V266 PolarHBondContact O-N 3.07Å; V266-L314 HydrophobicContact CG1-CD2 4Å; V266-L317 HydrophobicContact CG1-CD1 3.82Å |
| 267 | I | 92.9 | Very high | 89.1 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -82.4 | -57.7 | -171.1 | -61.5 | 164.9 | 0 | 0 | 0 | 111.7 | F262 L263 P269 L270 V271 L277 V310 C313 | F262-I267 PolarHBondContact O-N 2.97Å; L263-I267 HydrophobicContact CD2-CB 4.34Å; L263-I267 HydrophobicContact CD2-CD1 3.84Å; L263-I267 HydrophobicContact CD2-CG2 4.4Å; L263-I267 HydrophobicContact CG-CD1 4.36Å; I267-P269 VanDerWaalsContact C-CD 3.43Å; I267-L270 PolarHBondContact O-N 2.82Å; I267-V271 HydrophobicContact CG2-CG2 4.02Å; I267-V271 WeakPolarHBondContact O-CG2 3.46Å; I267-V271 PolarHBondContact O-N 3.35Å; I267-V271 VanDerWaalsContact O-N 3.14Å; I267-L277 HydrophobicContact CG2-CD1 4.14Å; I267-L277 HydrophobicContact CG2-CD2 4.11Å; I267-V310 HydrophobicContact CD1-CB 4.24Å; I267-V310 HydrophobicContact CD1-CG1 4.33Å; I267-V310 HydrophobicContact CD1-CG2 3.79Å; I267-C313 HydrophobicContact CD1-CB 3.72Å; I267-C313 HydrophobicContact CG1-CB 3.85Å; I267-C313 HydrophobicContact CG2-CB 4.24Å |
| 268 | F | 92.3 | Very high | 89.3 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -33.7 | -177.2 | -93 | -72.8 | 0 | 0 | 0 | 116 | L263 L270 V271 L277 Y289 V292 | L263-F268 HydrophobicContact CB-CD2 4.43Å; L263-F268 WeakPolarHBondContact O-CB 3.48Å; L263-F268 WeakPolarHBondContact O-CD2 3.21Å; L263-F268 PolarHBondContact O-N 3.34Å; F268-L270 PolarHBondContact O-N 2.9Å; F268-V271 HydrophobicContact CD1-CB 4.46Å; F268-V271 HydrophobicContact CD1-CG2 4.38Å; F268-V271 PolarHBondContact O-N 3.15Å; F268-L277 HydrophobicContact CE1-CB 4.29Å; F268-L277 HydrophobicContact CE2-CD2 3.9Å; F268-L277 HydrophobicContact CZ-CB 4.11Å; F268-L277 HydrophobicContact CZ-CD2 3.96Å; F268-Y289 AromaticContact CD2-CD2 3.99Å; F268-Y289 HydrophobicContact CD2-CD2 3.99Å; F268-Y289 HydrophobicContact CD2-CG 4.43Å; F268-Y289 HydrophobicContact CE2-CD2 4.36Å; F268-V292 HydrophobicContact CE2-CB 4.23Å; F268-V292 HydrophobicContact CE2-CG2 3.68Å; F268-V292 HydrophobicContact CZ-CB 4.47Å; F268-V292 HydrophobicContact CZ-CG2 3.52Å |
| 269 | P | 90.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.071 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19 | 173.8 | -28 | 38.5 | 0 | 0 | 0 | 115.1 | R11 I54 I267 | R11-P269 PolarHBondContact NH2-O 3.26Å; I54-P269 HydrophobicContact CG2-CB 3.55Å; I54-P269 HydrophobicContact CG2-CG 4.2Å; I267-P269 VanDerWaalsContact C-CD 3.43Å |
| 270 | L | 90.6 | Very high | 89.5 | Confident | 50 Ų | 50 | 40.3 Ų | 40.3 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -21.2 | -179.2 | -58.9 | -178.1 | 0 | 0 | 0 | 113.6 | I54 I105 I267 F268 P272 L317 | I54-L270 HydrophobicContact CD1-CD1 3.85Å; I54-L270 HydrophobicContact CD1-CD2 4.43Å; I54-L270 HydrophobicContact CD1-CG 4.07Å; I54-L270 HydrophobicContact CG1-CD1 4.36Å; I54-L270 HydrophobicContact CG1-CD2 4.23Å; I54-L270 HydrophobicContact CG1-CG 4.42Å; I105-L270 HydrophobicContact CG1-CD1 4.3Å; I105-L270 HydrophobicContact CG1-CD2 4.41Å; I105-L270 HydrophobicContact CG2-CD2 3.79Å; I267-L270 PolarHBondContact O-N 2.82Å; F268-L270 PolarHBondContact O-N 2.9Å; L270-P272 WeakPolarHBondContact O-CD 3.48Å; L270-L317 HydrophobicContact CD1-CD1 4.11Å; L270-L317 HydrophobicContact CD1-CD2 3.82Å |
| 271 | V | 88.3 | Confident | 89.3 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -56.8 | 123 | 178.8 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | I267 F268 T273 G276 L277 | I267-V271 HydrophobicContact CG2-CG2 4.02Å; I267-V271 WeakPolarHBondContact O-CG2 3.46Å; I267-V271 PolarHBondContact O-N 3.35Å; I267-V271 VanDerWaalsContact O-N 3.14Å; F268-V271 HydrophobicContact CD1-CB 4.46Å; F268-V271 HydrophobicContact CD1-CG2 4.38Å; F268-V271 PolarHBondContact O-N 3.15Å; V271-T273 PolarHBondContact O-N 3.24Å; V271-G276 VanDerWaalsContact CG1-C 3.41Å; V271-L277 HydrophobicContact CG1-CB 4.4Å; V271-L277 HydrophobicContact CG2-CB 4.1Å; V271-L277 HydrophobicContact CG2-CD1 4.22Å |
| 272 | P | 83.1 | Confident | 89.2 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | trans | -63.5 | 123.8 | 176.7 | -24.1 | 35.2 | 0 | 0 | 0 | 111.5 | L270 K274 I275 G276 | L270-P272 WeakPolarHBondContact O-CD 3.48Å; P272-K274 PolarHBondContact O-N 2.83Å; P272-I275 HydrophobicContact CB-CB 4.38Å; P272-I275 HydrophobicContact CB-CD1 4.11Å; P272-I275 HydrophobicContact CB-CG1 4.21Å; P272-I275 HydrophobicContact CG-CD1 4.28Å; P272-I275 PolarHBondContact O-N 3.1Å; P272-G276 PolarHBondContact O-N 2.89Å | ||
| 273 | T | 77.8 | Confident | 88.9 | Confident | 127 Ų | 127 | 57.4 Ų | 57.4 | 78% | 0.779 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.3 | -174.8 | 53.6 | 0 | 0 | 0 | 0 | 115.1 | V271 | V271-T273 PolarHBondContact O-N 3.24Š|
| 274 | K | 81.9 | Confident | 88.7 | Confident | 197 Ų | 197 | 61.5 Ų | 61.5 | 86% | 0.857 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -18.2 | 174.4 | -64.6 | -175.3 | 179 | -179.1 | 0 | 114.4 | P272 | P272-K274 PolarHBondContact O-N 2.83Š|
| 275 | I | 87.5 | Confident | 88.7 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -42.5 | -172.6 | -56.4 | 178.4 | 0 | 0 | 0 | 110.3 | P272 | P272-I275 HydrophobicContact CB-CB 4.38Å; P272-I275 HydrophobicContact CB-CD1 4.11Å; P272-I275 HydrophobicContact CB-CG1 4.21Å; P272-I275 HydrophobicContact CG-CD1 4.28Å; P272-I275 PolarHBondContact O-N 3.1Å |
| 276 | G | 88.4 | Confident | 88.7 | Confident | 8 Ų | 8 | 61 Ų | 61 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | trans | 72 | -177.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V271 P272 Y286 | V271-G276 VanDerWaalsContact CG1-C 3.41Å; P272-G276 PolarHBondContact O-N 2.89Å; G276-Y286 CarbonylContact C-O 3.59Å; G276-Y286 VanDerWaalsContact CA-O 3.28Å; G276-Y286 WeakPolarHBondContact CA-O 3.41Å | ||
| 277 | L | 92.5 | Very high | 88.7 | Confident | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.6 | 178.4 | -174 | 66.9 | 0 | 0 | 0 | 109.9 | L263 I267 F268 V271 I279 P285 Y286 V309 | L263-L277 HydrophobicContact CD2-CD2 3.74Å; I267-L277 HydrophobicContact CG2-CD1 4.14Å; I267-L277 HydrophobicContact CG2-CD2 4.11Å; F268-L277 HydrophobicContact CE1-CB 4.29Å; F268-L277 HydrophobicContact CE2-CD2 3.9Å; F268-L277 HydrophobicContact CZ-CB 4.11Å; F268-L277 HydrophobicContact CZ-CD2 3.96Å; V271-L277 HydrophobicContact CG1-CB 4.4Å; V271-L277 HydrophobicContact CG2-CB 4.1Å; V271-L277 HydrophobicContact CG2-CD1 4.22Å; L277-I279 HydrophobicContact CD2-CD1 4.44Å; L277-I279 HydrophobicContact CD2-CG1 4.33Å; L277-I279 HydrophobicContact CG-CG1 4.27Å; L277-P285 WeakPolarHBondContact O-CA 3.31Å; L277-Y286 PolarHBondContact N-O 2.82Å; L277-Y286 PolarHBondContact O-N 3.2Å; L277-V309 HydrophobicContact CD1-CG2 3.88Å; L277-V309 HydrophobicContact CD2-CG2 4.48Å; L277-V309 HydrophobicContact CG-CG2 4.22Å |
| 278 | S | 91.9 | Very high | 88.5 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 114.3 | 174.1 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 279 | I | 91.2 | Very high | 88.5 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | trans | -99.6 | 130.6 | 179.8 | -57.9 | -177.4 | 0 | 0 | 0 | 109.4 | L277 R281 T282 Y286 V292 I301 L306 V309 | L277-I279 HydrophobicContact CD2-CD1 4.44Å; L277-I279 HydrophobicContact CD2-CG1 4.33Å; L277-I279 HydrophobicContact CG-CG1 4.27Å; I279-R281 PolarHBondContact O-N 3.39Å; I279-T282 HydrophobicContact CB-CG2 3.96Å; I279-T282 HydrophobicContact CG2-CG2 4Å; I279-T282 WeakPolarHBondContact O-CB 3.46Å; I279-T282 PolarHBondContact O-N 2.63Å; I279-T282 PolarHBondContact O-OG1 2.95Å; I279-Y286 HydrophobicContact CB-CD2 4.43Å; I279-Y286 HydrophobicContact CB-CE2 4.29Å; I279-Y286 HydrophobicContact CD1-CD2 3.79Å; I279-Y286 HydrophobicContact CD1-CE2 4.01Å; I279-Y286 HydrophobicContact CD1-CG 4.48Å; I279-Y286 HydrophobicContact CG1-CD2 3.96Å; I279-Y286 HydrophobicContact CG1-CE2 4.25Å; I279-V292 HydrophobicContact CD1-CB 4.39Å; I279-V292 HydrophobicContact CD1-CG1 3.77Å; I279-V292 HydrophobicContact CD1-CG2 3.66Å; I279-I301 HydrophobicContact CD1-CD1 4.33Å; I279-I301 HydrophobicContact CG2-CG2 3.79Å; I279-L306 HydrophobicContact CD1-CD2 4.06Å; I279-L306 HydrophobicContact CG2-CD2 4.35Å; I279-V309 HydrophobicContact CG1-CG1 4.31Å; I279-V309 HydrophobicContact CG2-CG1 4.36Å | ||
| 280 | P | 89 | Confident | 88.6 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 139.6 | 179.7 | -28.5 | 35.6 | 0 | 0 | 0 | 113.1 | T282 S305 | P280-T282 VanDerWaalsContact C-N 3.26Å; P280-T282 PolarHBondContact O-N 3.13Å; P280-S305 WeakPolarHBondContact O-CB 3.31Å; P280-S305 PolarHBondContact O-OG 3.41Å |
| 281 | R | 87.2 | Confident | 88.7 | Confident | 199 Ų | 199 | 73.3 Ų | 73.3 | 75% | 0.751 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 17.6 | -178.1 | -47.9 | 173.7 | -179.3 | 156.5 | 0.4 | 115.2 | I279 | I279-R281 PolarHBondContact O-N 3.39Š|
| 282 | T | 87.7 | Confident | 88.9 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 17% | 0.166 | 38% | 0.379 | C | S | . | . | trans | -111 | 152.4 | 172.2 | 71.3 | 0 | 0 | 0 | 0 | 111.4 | I279 P280 K284 Y286 I301 | I279-T282 HydrophobicContact CB-CG2 3.96Å; I279-T282 HydrophobicContact CG2-CG2 4Å; I279-T282 WeakPolarHBondContact O-CB 3.46Å; I279-T282 PolarHBondContact O-N 2.63Å; I279-T282 PolarHBondContact O-OG1 2.95Å; P280-T282 VanDerWaalsContact C-N 3.26Å; P280-T282 PolarHBondContact O-N 3.13Å; T282-K284 PolarHBondContact OG1-O 3.46Å; T282-Y286 HydrophobicContact CG2-CE2 4.03Å; T282-I301 HydrophobicContact CG2-CG1 4.04Å; T282-I301 HydrophobicContact CG2-CG2 4.22Å | ||
| 283 | P | 85.6 | Confident | 89.4 | Confident | 132 Ų | 132 | 70.1 Ų | 70.1 | 86% | 0.857 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -86.4 | -4.9 | -170 | 34.1 | -37.1 | 0 | 0 | 0 | 115 | ||
| 284 | K | 88.5 | Confident | 90.1 | Very high | 87 Ų | 87 | 70 Ų | 70 | 38% | 0.378 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -151 | 155.7 | -176.7 | 58 | 156.9 | -174.4 | 169.5 | 0 | 111.3 | T282 E291 | T282-K284 PolarHBondContact OG1-O 3.46Å; K284-E291 IonicContact NZ-OE2 2.62Å; K284-E291 PolarHBondContact NZ-OE2 2.98Å |
| 285 | P | 91 | Very high | 90.6 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 28% | 0.279 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 152.7 | 163.2 | 30.6 | -34.8 | 0 | 0 | 0 | 111.2 | L277 F287 | L277-P285 WeakPolarHBondContact O-CA 3.31Å; P285-F287 HydrophobicContact CB-CZ 4.49Å; P285-F287 HydrophobicContact CG-CE2 4.02Å; P285-F287 HydrophobicContact CG-CZ 3.89Å |
| 286 | Y | 93 | Very high | 90.8 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127 | 177.9 | -68.8 | -94.2 | 0 | 0 | 0 | 110.9 | G276 L277 I279 T282 E291 V292 D295 I301 | G276-Y286 CarbonylContact C-O 3.59Å; G276-Y286 VanDerWaalsContact CA-O 3.28Å; G276-Y286 WeakPolarHBondContact CA-O 3.41Å; L277-Y286 PolarHBondContact N-O 2.82Å; L277-Y286 PolarHBondContact O-N 3.2Å; I279-Y286 HydrophobicContact CB-CD2 4.43Å; I279-Y286 HydrophobicContact CB-CE2 4.29Å; I279-Y286 HydrophobicContact CD1-CD2 3.79Å; I279-Y286 HydrophobicContact CD1-CE2 4.01Å; I279-Y286 HydrophobicContact CD1-CG 4.48Å; I279-Y286 HydrophobicContact CG1-CD2 3.96Å; I279-Y286 HydrophobicContact CG1-CE2 4.25Å; T282-Y286 HydrophobicContact CG2-CE2 4.03Å; Y286-E291 HydrophobicContact CD1-CB 3.7Å; Y286-E291 HydrophobicContact CE1-CB 4.22Å; Y286-V292 HydrophobicContact CD1-CB 4.4Å; Y286-V292 HydrophobicContact CD1-CG2 3.49Å; Y286-V292 VanDerWaalsContact CD1-CG2 3.49Å; Y286-V292 HydrophobicContact CD2-CG2 3.98Å; Y286-V292 HydrophobicContact CE1-CG2 4.17Å; Y286-V292 HydrophobicContact CG-CG2 3.38Å; Y286-D295 HydrophobicContact CE1-CB 4.18Å; Y286-D295 WeakPolarHBondContact CE1-OD2 3.36Å; Y286-D295 PolarHBondContact OH-OD2 3.01Å; Y286-I301 HydrophobicContact CE1-CD1 4.37Å; Y286-I301 HydrophobicContact CE2-CD1 4.3Å |
| 287 | F | 90.8 | Very high | 91 | Very high | 105 Ų | 105 | 58.9 Ų | 58.9 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -96.3 | -8.2 | -175.4 | -63.7 | -84.3 | 0 | 0 | 0 | 114.2 | P285 | P285-F287 HydrophobicContact CB-CZ 4.49Å; P285-F287 HydrophobicContact CG-CE2 4.02Å; P285-F287 HydrophobicContact CG-CZ 3.89Å |
| 288 | N | 90.1 | Very high | 90.9 | Very high | 60 Ų | 60 | 63.1 Ų | 63.1 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -152.1 | 158.2 | 175.6 | 60.8 | 83.5 | 0 | 0 | 0 | 110.5 | N290 E291 | N288-N290 VanDerWaalsContact C-N 3.33Å; N288-N290 PolarHBondContact O-N 3.16Å; N288-N290 PolarHBondContact OD1-N 2.89Å; N288-E291 PolarHBondContact ND2-OE1 3.39Å; N288-E291 PolarHBondContact OD1-N 3.4Å |
| 289 | Y | 92.5 | Very high | 90.7 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 179.8 | 172.6 | -98.4 | 0 | 0 | 0 | 113.2 | A253 L260 L263 K264 F268 E291 V292 E293 | A253-Y289 WeakPolarHBondContact CB-OH 3.15Å; L260-Y289 HydrophobicContact CB-CE2 4.48Å; L260-Y289 HydrophobicContact CD2-CE2 4.38Å; L260-Y289 WeakPolarHBondContact O-CE2 3.33Å; L263-Y289 HydrophobicContact CB-CD2 4.35Å; L263-Y289 HydrophobicContact CB-CE2 4.3Å; K264-Y289 HydrophobicContact CB-CD1 4.32Å; K264-Y289 HydrophobicContact CB-CD2 3.71Å; K264-Y289 HydrophobicContact CB-CE1 4.18Å; K264-Y289 HydrophobicContact CB-CE2 3.54Å; K264-Y289 HydrophobicContact CB-CG 4.1Å; K264-Y289 HydrophobicContact CD-CD1 4.02Å; K264-Y289 HydrophobicContact CD-CE1 3.58Å; K264-Y289 HydrophobicContact CD-CE2 4.43Å; K264-Y289 HydrophobicContact CG-CD1 3.86Å; K264-Y289 HydrophobicContact CG-CD2 4.15Å; K264-Y289 HydrophobicContact CG-CE1 3.87Å; K264-Y289 HydrophobicContact CG-CE2 4.14Å; K264-Y289 HydrophobicContact CG-CG 4Å; F268-Y289 AromaticContact CD2-CD2 3.99Å; F268-Y289 HydrophobicContact CD2-CD2 3.99Å; F268-Y289 HydrophobicContact CD2-CG 4.43Å; F268-Y289 HydrophobicContact CE2-CD2 4.36Å; Y289-E291 VanDerWaalsContact C-N 3.26Å; Y289-E291 PolarHBondContact O-N 3.43Å; Y289-V292 WeakPolarHBondContact O-CA 3.4Å; Y289-V292 WeakPolarHBondContact O-CB 3.18Å; Y289-V292 PolarHBondContact O-N 3.03Å; Y289-E293 HydrophobicContact CD1-CB 4.46Å; Y289-E293 HydrophobicContact CE1-CB 3.81Å; Y289-E293 HydrophobicContact CE1-CG 4.28Å; Y289-E293 WeakPolarHBondContact CE1-OE1 3.22Å; Y289-E293 PolarHBondContact O-N 2.89Å; Y289-E293 VanDerWaalsContact OH-CD 3.24Å; Y289-E293 PolarHBondContact OH-OE2 3.37Å |
| 290 | N | 92.2 | Very high | 90.7 | Very high | 115 Ų | 115 | 68.7 Ų | 68.7 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.4 | -31.1 | -172.1 | -58.1 | 4.5 | 0 | 0 | 0 | 112.1 | N288 K294 | N288-N290 VanDerWaalsContact C-N 3.33Å; N288-N290 PolarHBondContact O-N 3.16Å; N288-N290 PolarHBondContact OD1-N 2.89Å; N290-K294 WeakPolarHBondContact O-CB 3.45Å; N290-K294 PolarHBondContact O-N 2.82Å |
| 291 | E | 92.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 66.4 Ų | 66.4 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 171.1 | -74.3 | 178.2 | -129.8 | 0 | 0 | 112.9 | K284 Y286 N288 Y289 D295 | K284-E291 IonicContact NZ-OE2 2.62Å; K284-E291 PolarHBondContact NZ-OE2 2.98Å; Y286-E291 HydrophobicContact CD1-CB 3.7Å; Y286-E291 HydrophobicContact CE1-CB 4.22Å; N288-E291 PolarHBondContact ND2-OE1 3.39Å; N288-E291 PolarHBondContact OD1-N 3.4Å; Y289-E291 VanDerWaalsContact C-N 3.26Å; Y289-E291 PolarHBondContact O-N 3.43Å; E291-D295 WeakPolarHBondContact O-CB 3.36Å; E291-D295 PolarHBondContact O-N 2.99Å |
| 292 | V | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | F268 I279 Y286 Y289 K294 D295 Y296 I301 L306 | F268-V292 HydrophobicContact CE2-CB 4.23Å; F268-V292 HydrophobicContact CE2-CG2 3.68Å; F268-V292 HydrophobicContact CZ-CB 4.47Å; F268-V292 HydrophobicContact CZ-CG2 3.52Å; I279-V292 HydrophobicContact CD1-CB 4.39Å; I279-V292 HydrophobicContact CD1-CG1 3.77Å; I279-V292 HydrophobicContact CD1-CG2 3.66Å; Y286-V292 HydrophobicContact CD1-CB 4.4Å; Y286-V292 HydrophobicContact CD1-CG2 3.49Å; Y286-V292 VanDerWaalsContact CD1-CG2 3.49Å; Y286-V292 HydrophobicContact CD2-CG2 3.98Å; Y286-V292 HydrophobicContact CE1-CG2 4.17Å; Y286-V292 HydrophobicContact CG-CG2 3.38Å; Y289-V292 WeakPolarHBondContact O-CA 3.4Å; Y289-V292 WeakPolarHBondContact O-CB 3.18Å; Y289-V292 PolarHBondContact O-N 3.03Å; V292-K294 VanDerWaalsContact C-N 3.34Å; V292-K294 PolarHBondContact O-N 3.48Å; V292-D295 PolarHBondContact O-N 3.25Å; V292-Y296 VanDerWaalsContact O-CB 3.25Å; V292-Y296 WeakPolarHBondContact O-CB 3.46Å; V292-Y296 PolarHBondContact O-N 3.4Å; V292-I301 HydrophobicContact CG1-CD1 3.99Å; V292-L306 HydrophobicContact CG1-CD2 3.99Å |
| 293 | E | 93.4 | Very high | 91 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 176.6 | -173.9 | 165.8 | 63.5 | 0 | 0 | 110.5 | T252 A253 Y289 D295 Y296 L297 | T252-E293 VanDerWaalsContact CB-OE2 3.32Å; T252-E293 WeakPolarHBondContact CB-OE2 3.24Å; T252-E293 HydrophobicContact CG2-CG 4.43Å; A253-E293 PolarHBondContact N-OE2 3.42Å; Y289-E293 HydrophobicContact CD1-CB 4.46Å; Y289-E293 HydrophobicContact CE1-CB 3.81Å; Y289-E293 HydrophobicContact CE1-CG 4.28Å; Y289-E293 WeakPolarHBondContact CE1-OE1 3.22Å; Y289-E293 PolarHBondContact O-N 2.89Å; Y289-E293 VanDerWaalsContact OH-CD 3.24Å; Y289-E293 PolarHBondContact OH-OE2 3.37Å; E293-D295 PolarHBondContact O-N 2.86Å; E293-Y296 PolarHBondContact O-N 2.7Å; E293-L297 HydrophobicContact CG-CD1 4.08Å; E293-L297 HydrophobicContact CG-CG 4.35Å; E293-L297 WeakPolarHBondContact O-CB 3.44Å; E293-L297 WeakPolarHBondContact O-CG 3.4Å; E293-L297 PolarHBondContact O-N 2.82Å |
| 294 | K | 92.8 | Very high | 91.3 | Very high | 123 Ų | 123 | 57.3 Ų | 57.3 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 175.8 | 180 | 178.7 | 178.4 | 179.3 | 0 | 113.1 | N290 V292 L297 M298 | N290-K294 WeakPolarHBondContact O-CB 3.45Å; N290-K294 PolarHBondContact O-N 2.82Å; V292-K294 VanDerWaalsContact C-N 3.34Å; V292-K294 PolarHBondContact O-N 3.48Å; K294-L297 PolarHBondContact O-N 2.89Å; K294-M298 HydrophobicContact CG-CE 4.03Å; K294-M298 HydrophobicContact CG-SD 4.19Å; K294-M298 WeakPolarHBondContact O-CB 3.22Å; K294-M298 VanDerWaalsContact O-CG 3.27Å; K294-M298 WeakPolarHBondContact O-CG 3.46Å; K294-M298 PolarHBondContact O-N 3.17Å |
| 295 | D | 93.1 | Very high | 91.4 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.8 | -25.7 | -177.6 | -79.1 | -14.6 | 0 | 0 | 0 | 112.6 | Y286 E291 V292 E293 M298 N299 K300 I301 | Y286-D295 HydrophobicContact CE1-CB 4.18Å; Y286-D295 WeakPolarHBondContact CE1-OD2 3.36Å; Y286-D295 PolarHBondContact OH-OD2 3.01Å; E291-D295 WeakPolarHBondContact O-CB 3.36Å; E291-D295 PolarHBondContact O-N 2.99Å; V292-D295 PolarHBondContact O-N 3.25Å; E293-D295 PolarHBondContact O-N 2.86Å; D295-M298 CarbonylContact O-C 3.59Å; D295-M298 PolarHBondContact O-N 3.22Å; D295-N299 PolarHBondContact O-N 3.21Å; D295-K300 HydrophobicContact CB-CB 4.32Å; D295-K300 HydrophobicContact CB-CD 4.14Å; D295-K300 WeakPolarHBondContact O-CB 3.13Å; D295-K300 PolarHBondContact O-N 2.94Å; D295-K300 WeakPolarHBondContact OD1-CD 3.41Å; D295-K300 IonicContact OD1-NZ 2.68Å; D295-K300 PolarHBondContact OD1-NZ 3.19Å; D295-I301 HydrophobicContact CB-CD1 3.94Å; D295-I301 HydrophobicContact CB-CG1 4.07Å |
| 296 | Y | 91.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.1 | -46.2 | 168.6 | -179.5 | -104.1 | 0 | 0 | 0 | 112.4 | C247 P248 L260 V292 E293 M298 N299 I301 S303 L306 | C247-Y296 PolarHBondContact O-OH 2.88Å; C247-Y296 VanDerWaalsContact O-OH 3.12Å; C247-Y296 PolarHBondContact SG-OH 2.71Å; P248-Y296 PolarHBondContact O-OH 3.4Å; L260-Y296 HydrophobicContact CD1-CD1 3.79Å; L260-Y296 HydrophobicContact CD1-CE1 4.05Å; L260-Y296 HydrophobicContact CD2-CD1 4.46Å; L260-Y296 HydrophobicContact CG-CD1 4.41Å; V292-Y296 VanDerWaalsContact O-CB 3.25Å; V292-Y296 WeakPolarHBondContact O-CB 3.46Å; V292-Y296 PolarHBondContact O-N 3.4Å; E293-Y296 PolarHBondContact O-N 2.7Å; Y296-M298 PolarHBondContact O-N 3.04Å; Y296-N299 WeakPolarHBondContact O-CA 3.32Å; Y296-N299 PolarHBondContact O-N 3.25Å; Y296-I301 HydrophobicContact CD2-CB 4.38Å; Y296-I301 WeakPolarHBondContact CD2-O 3.48Å; Y296-S303 PolarHBondContact OH-OG 3.14Å; Y296-S303 VanDerWaalsContact OH-OG 3.13Å; Y296-L306 HydrophobicContact CD1-CD1 4.48Å; Y296-L306 HydrophobicContact CD2-CD1 3.34Å; Y296-L306 HydrophobicContact CD2-CG 4.15Å; Y296-L306 HydrophobicContact CE2-CD1 3.56Å; Y296-L306 HydrophobicContact CE2-CG 4.42Å; Y296-L306 HydrophobicContact CG-CD1 3.83Å |
| 297 | L | 90.9 | Very high | 91.4 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -23.7 | 173.2 | -66.9 | 176.8 | 0 | 0 | 0 | 112.5 | N250 T252 E293 K294 N299 | N250-L297 WeakPolarHBondContact O-CD2 3.46Å; N250-L297 PolarHBondContact OD1-O 2.8Å; T252-L297 HydrophobicContact CG2-CD1 4.07Å; T252-L297 HydrophobicContact CG2-CD2 4.2Å; E293-L297 HydrophobicContact CG-CD1 4.08Å; E293-L297 HydrophobicContact CG-CG 4.35Å; E293-L297 WeakPolarHBondContact O-CB 3.44Å; E293-L297 WeakPolarHBondContact O-CG 3.4Å; E293-L297 PolarHBondContact O-N 2.82Å; K294-L297 PolarHBondContact O-N 2.89Å; L297-N299 VanDerWaalsContact C-N 3.28Å; L297-N299 PolarHBondContact O-ND2 2.71Å |
| 298 | M | 91 | Very high | 91.5 | Very high | 102 Ų | 102 | 51 Ų | 51 | 50% | 0.502 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 9.5 | 170.2 | -68.3 | 179.6 | 176.6 | 0 | 0 | 113.6 | K294 D295 Y296 K300 | K294-M298 HydrophobicContact CG-CE 4.03Å; K294-M298 HydrophobicContact CG-SD 4.19Å; K294-M298 WeakPolarHBondContact O-CB 3.22Å; K294-M298 VanDerWaalsContact O-CG 3.27Å; K294-M298 WeakPolarHBondContact O-CG 3.46Å; K294-M298 PolarHBondContact O-N 3.17Å; D295-M298 CarbonylContact O-C 3.59Å; D295-M298 PolarHBondContact O-N 3.22Å; Y296-M298 PolarHBondContact O-N 3.04Å; M298-K300 HydrophobicContact CB-CD 4.32Å; M298-K300 HydrophobicContact CB-CG 4.09Å; M298-K300 PolarHBondContact O-N 3.39Å; M298-K300 VanDerWaalsContact O-N 3.15Å; M298-K300 PolarHBondContact SD-NZ 3.49Å; M298-K300 VanDerWaalsContact SD-NZ 3.42Å |
| 299 | N | 88.2 | Confident | 91.7 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 24.4 | -179.9 | -60 | -90.3 | 0 | 0 | 0 | 114.7 | N250 D295 Y296 L297 | N250-N299 PolarHBondContact OD1-ND2 3.15Å; D295-N299 PolarHBondContact O-N 3.21Å; Y296-N299 WeakPolarHBondContact O-CA 3.32Å; Y296-N299 PolarHBondContact O-N 3.25Å; L297-N299 VanDerWaalsContact C-N 3.28Å; L297-N299 PolarHBondContact O-ND2 2.71Å |
| 300 | K | 90.4 | Very high | 91.7 | Very high | 112 Ų | 112 | 48 Ų | 48 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | trans | -83.7 | -18.4 | 176.3 | -53.7 | 177.5 | -164.6 | 158.9 | 0 | 112.9 | D295 M298 | D295-K300 HydrophobicContact CB-CB 4.32Å; D295-K300 HydrophobicContact CB-CD 4.14Å; D295-K300 WeakPolarHBondContact O-CB 3.13Å; D295-K300 PolarHBondContact O-N 2.94Å; D295-K300 WeakPolarHBondContact OD1-CD 3.41Å; D295-K300 IonicContact OD1-NZ 2.68Å; D295-K300 PolarHBondContact OD1-NZ 3.19Å; M298-K300 HydrophobicContact CB-CD 4.32Å; M298-K300 HydrophobicContact CB-CG 4.09Å; M298-K300 PolarHBondContact O-N 3.39Å; M298-K300 VanDerWaalsContact O-N 3.15Å; M298-K300 PolarHBondContact SD-NZ 3.49Å; M298-K300 VanDerWaalsContact SD-NZ 3.42Å | ||
| 301 | I | 90.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -114.3 | 114.9 | 179.1 | -46.3 | 178.4 | 0 | 0 | 0 | 108.2 | I279 T282 Y286 V292 D295 Y296 L306 | I279-I301 HydrophobicContact CD1-CD1 4.33Å; I279-I301 HydrophobicContact CG2-CG2 3.79Å; T282-I301 HydrophobicContact CG2-CG1 4.04Å; T282-I301 HydrophobicContact CG2-CG2 4.22Å; Y286-I301 HydrophobicContact CE1-CD1 4.37Å; Y286-I301 HydrophobicContact CE2-CD1 4.3Å; V292-I301 HydrophobicContact CG1-CD1 3.99Å; D295-I301 HydrophobicContact CB-CD1 3.94Å; D295-I301 HydrophobicContact CB-CG1 4.07Å; Y296-I301 HydrophobicContact CD2-CB 4.38Å; Y296-I301 WeakPolarHBondContact CD2-O 3.48Å; I301-L306 HydrophobicContact CG2-CD2 3.65Å; I301-L306 HydrophobicContact CG2-CG 3.9Å |
| 302 | P | 90.5 | Very high | 91.8 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | trans | -64.1 | 143.5 | 174.4 | -22.6 | 34 | 0 | 0 | 0 | 112 | D304 S305 L306 | P302-D304 PolarHBondContact O-N 3Å; P302-D304 VanDerWaalsContact O-N 3.13Å; P302-S305 WeakPolarHBondContact O-CB 3.27Å; P302-S305 PolarHBondContact O-N 3.19Å; P302-L306 PolarHBondContact O-N 2.95Å | ||
| 303 | S | 90 | Very high | 91.8 | Very high | 24 Ų | 24 | 46.9 Ų | 46.9 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.9 | -33.5 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | C247 Y296 L306 R307 | C247-S303 WeakPolarHBondContact O-CB 3.5Å; C247-S303 PolarHBondContact O-OG 3.17Å; Y296-S303 PolarHBondContact OH-OG 3.14Å; Y296-S303 VanDerWaalsContact OH-OG 3.13Å; S303-L306 WeakPolarHBondContact O-CB 3.37Å; S303-L306 PolarHBondContact O-N 3.35Å; S303-R307 WeakPolarHBondContact O-CG 3.23Å; S303-R307 PolarHBondContact O-N 2.91Å |
| 304 | D | 90.8 | Very high | 91.7 | Very high | 92 Ų | 92 | 45.4 Ų | 45.4 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -73.5 | -28.3 | 178.3 | -54.9 | -38.5 | 0 | 0 | 0 | 113.1 | P302 L306 R307 S308 | P302-D304 PolarHBondContact O-N 3Å; P302-D304 VanDerWaalsContact O-N 3.13Å; D304-L306 VanDerWaalsContact C-N 3.33Å; D304-R307 PolarHBondContact O-N 2.9Å; D304-R307 IonicContact OD1-CZ 2.74Å; D304-R307 IonicContact OD1-NH1 2.73Å; D304-R307 PolarHBondContact OD1-NH1 2.78Å; D304-S308 WeakPolarHBondContact O-CB 3.41Å; D304-S308 PolarHBondContact O-N 2.81Å |
| 305 | S | 92 | Very high | 91.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 169.4 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | P280 P302 V309 | P280-S305 WeakPolarHBondContact O-CB 3.31Å; P280-S305 PolarHBondContact O-OG 3.41Å; P302-S305 WeakPolarHBondContact O-CB 3.27Å; P302-S305 PolarHBondContact O-N 3.19Å; S305-V309 WeakPolarHBondContact O-CG1 3.43Å; S305-V309 PolarHBondContact O-N 3.01Å |
| 306 | L | 91.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -45 | 172.5 | -66.7 | -170.3 | 0 | 0 | 0 | 111.7 | V259 L260 L263 I279 V292 Y296 I301 P302 S303 D304 S308 V309 V310 | V259-L306 HydrophobicContact CG1-CB 3.9Å; L260-L306 HydrophobicContact CD2-CD1 3.74Å; L260-L306 HydrophobicContact CG-CD1 4.34Å; L263-L306 HydrophobicContact CD1-CB 4.46Å; L263-L306 HydrophobicContact CD1-CD1 4.44Å; L263-L306 HydrophobicContact CD1-CD2 3.87Å; L263-L306 HydrophobicContact CD1-CG 4.5Å; I279-L306 HydrophobicContact CD1-CD2 4.06Å; I279-L306 HydrophobicContact CG2-CD2 4.35Å; V292-L306 HydrophobicContact CG1-CD2 3.99Å; Y296-L306 HydrophobicContact CD1-CD1 4.48Å; Y296-L306 HydrophobicContact CD2-CD1 3.34Å; Y296-L306 HydrophobicContact CD2-CG 4.15Å; Y296-L306 HydrophobicContact CE2-CD1 3.56Å; Y296-L306 HydrophobicContact CE2-CG 4.42Å; Y296-L306 HydrophobicContact CG-CD1 3.83Å; I301-L306 HydrophobicContact CG2-CD2 3.65Å; I301-L306 HydrophobicContact CG2-CG 3.9Å; P302-L306 PolarHBondContact O-N 2.95Å; S303-L306 WeakPolarHBondContact O-CB 3.37Å; S303-L306 PolarHBondContact O-N 3.35Å; D304-L306 VanDerWaalsContact C-N 3.33Å; L306-S308 PolarHBondContact O-N 3.33Å; L306-V309 WeakPolarHBondContact O-CG1 3.48Å; L306-V310 WeakPolarHBondContact O-CB 3.49Å; L306-V310 VanDerWaalsContact O-CG2 3.23Å; L306-V310 WeakPolarHBondContact O-CG2 3.49Å; L306-V310 PolarHBondContact O-N 3.16Å |
| 307 | R | 92 | Very high | 91.8 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 176 | -71.9 | 171.9 | 177.3 | 136.5 | -7.8 | 111.3 | L242 S245 V259 S303 D304 V310 T311 | L242-R307 WeakPolarHBondContact O-CD 3.37Å; L242-R307 PolarHBondContact O-NE 3.31Å; S245-R307 PolarHBondContact O-NH2 3.33Å; V259-R307 HydrophobicContact CG2-CG 4.42Å; S303-R307 WeakPolarHBondContact O-CG 3.23Å; S303-R307 PolarHBondContact O-N 2.91Å; D304-R307 PolarHBondContact O-N 2.9Å; D304-R307 IonicContact OD1-CZ 2.74Å; D304-R307 IonicContact OD1-NH1 2.73Å; D304-R307 PolarHBondContact OD1-NH1 2.78Å; R307-V310 PolarHBondContact O-N 2.75Å; R307-T311 PolarHBondContact O-N 3.17Å; R307-T311 PolarHBondContact O-OG1 2.9Å |
| 308 | S | 92.3 | Very high | 92 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.2 | -56.2 | 179.3 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | D304 L306 V310 T311 D312 | D304-S308 WeakPolarHBondContact O-CB 3.41Å; D304-S308 PolarHBondContact O-N 2.81Å; L306-S308 PolarHBondContact O-N 3.33Å; S308-V310 PolarHBondContact O-N 3.45Å; S308-T311 WeakPolarHBondContact O-CB 3.44Å; S308-T311 PolarHBondContact O-N 2.97Å; S308-D312 PolarHBondContact O-N 2.83Å; S308-D312 PolarHBondContact OG-OD2 2.94Å |
| 309 | V | 93.4 | Very high | 92.1 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -29.4 | -177.2 | 73.4 | 0 | 0 | 0 | 0 | 112.3 | L263 L277 I279 S305 L306 C313 | L263-V309 HydrophobicContact CD2-CG1 4.43Å; L277-V309 HydrophobicContact CD1-CG2 3.88Å; L277-V309 HydrophobicContact CD2-CG2 4.48Å; L277-V309 HydrophobicContact CG-CG2 4.22Å; I279-V309 HydrophobicContact CG1-CG1 4.31Å; I279-V309 HydrophobicContact CG2-CG1 4.36Å; S305-V309 WeakPolarHBondContact O-CG1 3.43Å; S305-V309 PolarHBondContact O-N 3.01Å; L306-V309 WeakPolarHBondContact O-CG1 3.48Å; V309-C313 WeakPolarHBondContact O-CB 3.45Å; V309-C313 PolarHBondContact O-N 3.37Å; V309-C313 PolarHBondContact O-SG 2.9Å |
| 310 | V | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.5 | -44.7 | 171.6 | 172 | 0 | 0 | 0 | 0 | 111.5 | L242 V259 F262 L263 I267 L306 R307 S308 D312 C313 L314 | L242-V310 HydrophobicContact CD1-CG1 4.22Å; L242-V310 HydrophobicContact CD2-CG1 3.82Å; V259-V310 HydrophobicContact CG1-CB 4.36Å; V259-V310 HydrophobicContact CG1-CG2 3.8Å; F262-V310 HydrophobicContact CB-CG1 4.39Å; L263-V310 HydrophobicContact CD1-CG2 3.93Å; L263-V310 HydrophobicContact CD2-CG2 3.85Å; L263-V310 HydrophobicContact CG-CG2 3.58Å; I267-V310 HydrophobicContact CD1-CB 4.24Å; I267-V310 HydrophobicContact CD1-CG1 4.33Å; I267-V310 HydrophobicContact CD1-CG2 3.79Å; L306-V310 WeakPolarHBondContact O-CB 3.49Å; L306-V310 VanDerWaalsContact O-CG2 3.23Å; L306-V310 WeakPolarHBondContact O-CG2 3.49Å; L306-V310 PolarHBondContact O-N 3.16Å; R307-V310 PolarHBondContact O-N 2.75Å; S308-V310 PolarHBondContact O-N 3.45Å; V310-D312 PolarHBondContact O-N 2.95Å; V310-C313 PolarHBondContact O-N 3.28Å; V310-L314 HydrophobicContact CG1-CD1 3.59Å; V310-L314 HydrophobicContact CG1-CG 4.09Å; V310-L314 WeakPolarHBondContact O-CB 3.37Å; V310-L314 VanDerWaalsContact O-CG 3.23Å; V310-L314 WeakPolarHBondContact O-CG 3.45Å; V310-L314 PolarHBondContact O-N 3.28Å |
| 311 | T | 93.7 | Very high | 92.6 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 10% | 0.104 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.9 | -48.7 | 174.2 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | A239 L242 R307 S308 L314 N315 | A239-T311 HydrophobicContact CB-CG2 3.84Å; L242-T311 HydrophobicContact CD1-CG2 4.41Å; L242-T311 VanDerWaalsContact CD1-OG1 3.24Å; L242-T311 WeakPolarHBondContact CD1-OG1 3.41Å; R307-T311 PolarHBondContact O-N 3.17Å; R307-T311 PolarHBondContact O-OG1 2.9Å; S308-T311 WeakPolarHBondContact O-CB 3.44Å; S308-T311 PolarHBondContact O-N 2.97Å; T311-L314 PolarHBondContact O-N 2.86Å; T311-N315 WeakPolarHBondContact O-CB 3.33Å; T311-N315 PolarHBondContact O-N 2.67Å; T311-N315 PolarHBondContact O-ND2 2.91Å |
| 312 | D | 93.2 | Very high | 92.8 | Very high | 97 Ų | 97 | 31.9 Ų | 31.9 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.5 | -46.9 | -178.2 | -59.8 | -35.7 | 0 | 0 | 0 | 111.1 | S308 V310 G316 | S308-D312 PolarHBondContact O-N 2.83Å; S308-D312 PolarHBondContact OG-OD2 2.94Å; V310-D312 PolarHBondContact O-N 2.95Å; D312-G316 PolarHBondContact O-N 3.48Å; D312-G316 VanDerWaalsContact O-N 3.09Å |
| 313 | C | 92.9 | Very high | 92.9 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 177.5 | -71.3 | 0 | 0 | 0 | 0 | 113.5 | I267 V309 V310 G316 L317 | I267-C313 HydrophobicContact CD1-CB 3.72Å; I267-C313 HydrophobicContact CG1-CB 3.85Å; I267-C313 HydrophobicContact CG2-CB 4.24Å; V309-C313 WeakPolarHBondContact O-CB 3.45Å; V309-C313 PolarHBondContact O-N 3.37Å; V309-C313 PolarHBondContact O-SG 2.9Å; V310-C313 PolarHBondContact O-N 3.28Å; C313-G316 PolarHBondContact O-N 3.43Å; C313-L317 PolarHBondContact O-N 2.78Å |
| 314 | L | 92.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.4 | -40.2 | -179.6 | -67.6 | 179.6 | 0 | 0 | 0 | 111.6 | I47 I229 L242 F262 V266 V310 T311 G316 L317 L318 | I47-L314 HydrophobicContact CD1-CD2 4.08Å; I47-L314 HydrophobicContact CG1-CD1 4.25Å; I47-L314 HydrophobicContact CG1-CD2 3.97Å; I229-L314 HydrophobicContact CD1-CD1 4.48Å; L242-L314 HydrophobicContact CD1-CD1 4.17Å; F262-L314 HydrophobicContact CD1-CD2 4.45Å; V266-L314 HydrophobicContact CG1-CD2 4Å; V310-L314 HydrophobicContact CG1-CD1 3.59Å; V310-L314 HydrophobicContact CG1-CG 4.09Å; V310-L314 WeakPolarHBondContact O-CB 3.37Å; V310-L314 VanDerWaalsContact O-CG 3.23Å; V310-L314 WeakPolarHBondContact O-CG 3.45Å; V310-L314 PolarHBondContact O-N 3.28Å; T311-L314 PolarHBondContact O-N 2.86Å; L314-G316 VanDerWaalsContact C-N 3.28Å; L314-G316 PolarHBondContact O-N 3.24Å; L314-L317 HydrophobicContact CD2-CD1 4.42Å; L314-L317 PolarHBondContact O-N 2.89Å; L314-L317 VanDerWaalsContact O-N 3.09Å; L314-L318 WeakPolarHBondContact O-CG 3.27Å; L314-L318 PolarHBondContact O-N 3.43Å |
| 315 | N | 94 | Very high | 93.2 | Very high | 31 Ų | 31 | 30.1 Ų | 30.1 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 171.2 | -78.4 | -27.7 | 0 | 0 | 0 | 111.5 | V238 T311 L317 L318 V319 | V238-N315 WeakPolarHBondContact CB-OD1 3.31Å; V238-N315 WeakPolarHBondContact CG1-OD1 3.13Å; T311-N315 WeakPolarHBondContact O-CB 3.33Å; T311-N315 PolarHBondContact O-N 2.67Å; T311-N315 PolarHBondContact O-ND2 2.91Å; N315-L317 VanDerWaalsContact C-N 3.26Å; N315-L317 PolarHBondContact O-N 3.43Å; N315-L318 PolarHBondContact O-N 3.05Å; N315-V319 PolarHBondContact O-N 3.06Å |
| 316 | G | 92.6 | Very high | 93.2 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.8 | -24.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D312 C313 L314 | D312-G316 PolarHBondContact O-N 3.48Å; D312-G316 VanDerWaalsContact O-N 3.09Å; C313-G316 PolarHBondContact O-N 3.43Å; L314-G316 VanDerWaalsContact C-N 3.28Å; L314-G316 PolarHBondContact O-N 3.24Å |
| 317 | L | 92.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -87.8 | -32.2 | 173.4 | -70.6 | 174.1 | 0 | 0 | 0 | 113.2 | F50 S104 V266 L270 C313 L314 N315 | F50-L317 HydrophobicContact CD1-CD1 4.31Å; F50-L317 HydrophobicContact CE1-CB 4.15Å; F50-L317 HydrophobicContact CE1-CD1 4.28Å; F50-L317 HydrophobicContact CE1-CD2 4.39Å; F50-L317 HydrophobicContact CE2-CB 4.32Å; F50-L317 HydrophobicContact CZ-CB 3.82Å; S104-L317 VanDerWaalsContact CB-O 3.32Å; S104-L317 WeakPolarHBondContact CB-O 3.46Å; S104-L317 PolarHBondContact OG-O 3.43Å; V266-L317 HydrophobicContact CG1-CD1 3.82Å; L270-L317 HydrophobicContact CD1-CD1 4.11Å; L270-L317 HydrophobicContact CD1-CD2 3.82Å; C313-L317 PolarHBondContact O-N 2.78Å; L314-L317 HydrophobicContact CD2-CD1 4.42Å; L314-L317 PolarHBondContact O-N 2.89Å; L314-L317 VanDerWaalsContact O-N 3.09Å; N315-L317 VanDerWaalsContact C-N 3.26Å; N315-L317 PolarHBondContact O-N 3.43Å |
| 318 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.6 | -30.5 | -179 | -71.5 | 177.5 | 0 | 0 | 0 | 112.9 | I47 F50 I229 L231 V238 L314 N315 T320 I321 Q322 | I47-L318 HydrophobicContact CD1-CD1 4.16Å; I47-L318 HydrophobicContact CD1-CD2 3.71Å; I47-L318 HydrophobicContact CD1-CG 3.95Å; F50-L318 HydrophobicContact CE2-CD2 4.28Å; I229-L318 HydrophobicContact CG2-CD1 4.12Å; L231-L318 HydrophobicContact CB-CD2 4.37Å; L231-L318 HydrophobicContact CD2-CD2 3.8Å; V238-L318 HydrophobicContact CG2-CD1 3.79Å; L314-L318 WeakPolarHBondContact O-CG 3.27Å; L314-L318 PolarHBondContact O-N 3.43Å; N315-L318 PolarHBondContact O-N 3.05Å; L318-T320 VanDerWaalsContact C-N 3.28Å; L318-T320 PolarHBondContact O-N 2.92Å; L318-T320 VanDerWaalsContact O-N 3.15Å; L318-I321 HydrophobicContact CD2-CD1 4.4Å; L318-I321 WeakPolarHBondContact O-CA 3.36Å; L318-I321 WeakPolarHBondContact O-CB 3.37Å; L318-I321 PolarHBondContact O-N 3.4Å; L318-Q322 HydrophobicContact CB-CG 4.42Å; L318-Q322 WeakPolarHBondContact O-CG 3.14Å; L318-Q322 PolarHBondContact O-N 3.14Å |
| 319 | V | 94.5 | Very high | 93.5 | Very high | 64 Ų | 64 | 46.6 Ų | 46.6 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.1 | -40.8 | -173.5 | 70.6 | 0 | 0 | 0 | 0 | 113.5 | N315 I321 Q322 D323 | N315-V319 PolarHBondContact O-N 3.06Å; V319-I321 VanDerWaalsContact C-N 3.3Å; V319-I321 PolarHBondContact O-N 3.31Å; V319-Q322 PolarHBondContact O-N 3.38Å; V319-D323 VanDerWaalsContact O-CB 3.31Å; V319-D323 WeakPolarHBondContact O-CB 3.2Å; V319-D323 VanDerWaalsContact O-CG 3.31Å; V319-D323 PolarHBondContact O-N 3.24Å |
| 320 | T | 93.2 | Very high | 93.6 | Very high | 43 Ų | 43 | 48 Ų | 48 | 26% | 0.264 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 177 | -48.4 | 0 | 0 | 0 | 0 | 112.5 | R103 L318 D324 | R103-T320 HydrophobicContact CB-CG2 4.19Å; L318-T320 VanDerWaalsContact C-N 3.28Å; L318-T320 PolarHBondContact O-N 2.92Å; L318-T320 VanDerWaalsContact O-N 3.15Å; T320-D324 PolarHBondContact O-N 3.45Å; T320-D324 VanDerWaalsContact O-N 3.09Å |
| 321 | I | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -77.5 | -42.7 | -179.1 | -50 | 168.2 | 0 | 0 | 0 | 109.5 | F50 V97 M101 L231 L232 L318 V319 D323 D324 F325 | F50-I321 HydrophobicContact CE2-CD1 4.38Å; F50-I321 HydrophobicContact CZ-CD1 4.03Å; V97-I321 HydrophobicContact CG1-CG2 4.41Å; M101-I321 HydrophobicContact CB-CD1 4.42Å; M101-I321 HydrophobicContact CG-CD1 3.49Å; M101-I321 VanDerWaalsContact CG-CD1 3.49Å; M101-I321 HydrophobicContact CG-CG1 4.47Å; L231-I321 HydrophobicContact CD2-CD1 4.48Å; L232-I321 HydrophobicContact CD2-CG2 4.18Å; L318-I321 HydrophobicContact CD2-CD1 4.4Å; L318-I321 WeakPolarHBondContact O-CA 3.36Å; L318-I321 WeakPolarHBondContact O-CB 3.37Å; L318-I321 PolarHBondContact O-N 3.4Å; V319-I321 VanDerWaalsContact C-N 3.3Å; V319-I321 PolarHBondContact O-N 3.31Å; I321-D323 VanDerWaalsContact C-N 3.26Å; I321-D323 PolarHBondContact O-N 2.8Å; I321-D324 PolarHBondContact O-N 2.65Å; I321-F325 HydrophobicContact CG2-CD2 4.14Å; I321-F325 HydrophobicContact CG2-CE2 4.27Å; I321-F325 WeakPolarHBondContact O-CD2 3.48Å; I321-F325 PolarHBondContact O-N 3.47Å; I321-F325 VanDerWaalsContact O-N 3.1Å |
| 322 | Q | 94.3 | Very high | 93.5 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 173.9 | -67.8 | 166.5 | -14.9 | 0 | 0 | 111.5 | D233 L318 V319 | D233-Q322 PolarHBondContact O-NE2 3.06Å; L318-Q322 HydrophobicContact CB-CG 4.42Å; L318-Q322 WeakPolarHBondContact O-CG 3.14Å; L318-Q322 PolarHBondContact O-N 3.14Å; V319-Q322 PolarHBondContact O-N 3.38Å |
| 323 | D | 94.2 | Very high | 93.6 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -44 | 175 | -79.4 | -26.4 | 0 | 0 | 0 | 112.7 | V319 I321 F325 K326 | V319-D323 VanDerWaalsContact O-CB 3.31Å; V319-D323 WeakPolarHBondContact O-CB 3.2Å; V319-D323 VanDerWaalsContact O-CG 3.31Å; V319-D323 PolarHBondContact O-N 3.24Å; I321-D323 VanDerWaalsContact C-N 3.26Å; I321-D323 PolarHBondContact O-N 2.8Å; D323-F325 VanDerWaalsContact C-N 3.3Å; D323-F325 PolarHBondContact O-N 3.35Å; D323-K326 WeakPolarHBondContact O-CB 3.33Å; D323-K326 PolarHBondContact O-N 2.91Å; D323-K326 VanDerWaalsContact O-N 3.15Å; D323-K326 WeakPolarHBondContact OD1-CE 3.17Å; D323-K326 IonicContact OD1-NZ 2.67Å; D323-K326 PolarHBondContact OD1-NZ 2.87Å |
| 324 | D | 92.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.3 | -48.2 | 173.3 | -75.1 | -49.5 | 0 | 0 | 0 | 111 | R103 T320 I321 K326 D327 L330 | R103-D324 IonicContact CZ-OD1 2.76Å; R103-D324 IonicContact CZ-OD2 3.78Å; R103-D324 IonicContact NH1-OD1 3.15Å; R103-D324 PolarHBondContact NH1-OD1 3.13Å; R103-D324 IonicContact NH1-OD2 3.04Å; R103-D324 IonicContact NH2-OD1 3.97Å; R103-D324 PolarHBondContact NH2-OD1 2.88Å; R103-D324 IonicContact NH2-OD2 3.97Å; R103-D324 PolarHBondContact NH2-OD2 3Å; T320-D324 PolarHBondContact O-N 3.45Å; T320-D324 VanDerWaalsContact O-N 3.09Å; I321-D324 PolarHBondContact O-N 2.65Å; D324-K326 PolarHBondContact O-N 3.14Å; D324-D327 PolarHBondContact O-N 3.4Å; D324-D327 VanDerWaalsContact O-N 3.11Å; D324-L330 HydrophobicContact CB-CD1 4.36Å; D324-L330 WeakPolarHBondContact O-CD1 3.49Å |
| 325 | F | 93.8 | Very high | 93.6 | Very high | 13 Ų | 13 | 59.8 Ų | 59.8 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 15.4 | -177.6 | -78.2 | -97.1 | 0 | 0 | 0 | 114.1 | Y93 A96 V97 L232 I321 D323 L330 Q331 V334 | Y93-F325 AromaticContact CD2-CE1 3.78Å; Y93-F325 HydrophobicContact CD2-CE1 3.78Å; Y93-F325 AromaticContact CD2-CZ 3.85Å; Y93-F325 HydrophobicContact CD2-CZ 3.85Å; Y93-F325 AromaticContact CE2-CE1 3.84Å; Y93-F325 HydrophobicContact CE2-CE1 3.84Å; Y93-F325 AromaticContact CE2-CZ 3.9Å; Y93-F325 HydrophobicContact CE2-CZ 3.9Å; A96-F325 HydrophobicContact CB-CE2 4.28Å; A96-F325 HydrophobicContact CB-CZ 3.87Å; V97-F325 HydrophobicContact CG1-CE2 3.61Å; V97-F325 HydrophobicContact CG1-CZ 3.61Å; L232-F325 HydrophobicContact CD1-CB 4.49Å; L232-F325 HydrophobicContact CD1-CD1 3.97Å; L232-F325 HydrophobicContact CD1-CE1 4.44Å; L232-F325 HydrophobicContact CD1-CG 4.16Å; L232-F325 HydrophobicContact CD2-CB 3.75Å; L232-F325 HydrophobicContact CD2-CD1 4.34Å; L232-F325 HydrophobicContact CD2-CD2 3.84Å; L232-F325 HydrophobicContact CD2-CG 3.7Å; I321-F325 HydrophobicContact CG2-CD2 4.14Å; I321-F325 HydrophobicContact CG2-CE2 4.27Å; I321-F325 WeakPolarHBondContact O-CD2 3.48Å; I321-F325 PolarHBondContact O-N 3.47Å; I321-F325 VanDerWaalsContact O-N 3.1Å; D323-F325 VanDerWaalsContact C-N 3.3Å; D323-F325 PolarHBondContact O-N 3.35Å; F325-L330 HydrophobicContact CD1-CB 3.71Å; F325-L330 HydrophobicContact CD2-CD1 4.48Å; F325-L330 HydrophobicContact CE1-CB 3.86Å; F325-L330 HydrophobicContact CE1-CD2 4.44Å; F325-L330 HydrophobicContact CE2-CD1 4.49Å; F325-L330 HydrophobicContact CG-CB 4.25Å; F325-L330 HydrophobicContact CZ-CD2 4.5Å; F325-Q331 WeakPolarHBondContact O-CG 3.44Å; F325-Q331 PolarHBondContact O-NE2 3.16Å; F325-V334 HydrophobicContact CD1-CG2 3.72Å; F325-V334 HydrophobicContact CE1-CG2 3.52Å |
| 326 | K | 92.7 | Very high | 93.5 | Very high | 137 Ų | 137 | 61.1 Ų | 61.1 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.4 | 160.2 | -66.3 | 170.2 | -173.3 | 171.1 | 0 | 112.8 | D323 D324 P328 | D323-K326 WeakPolarHBondContact O-CB 3.33Å; D323-K326 PolarHBondContact O-N 2.91Å; D323-K326 VanDerWaalsContact O-N 3.15Å; D323-K326 WeakPolarHBondContact OD1-CE 3.17Å; D323-K326 IonicContact OD1-NZ 2.67Å; D323-K326 PolarHBondContact OD1-NZ 2.87Å; D324-K326 PolarHBondContact O-N 3.14Å; K326-P328 WeakPolarHBondContact O-CD 3.37Å |
| 327 | D | 94 | Very high | 93.3 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -65.5 | 121.2 | 169.6 | -178.1 | -9.9 | 0 | 0 | 0 | 110.2 | D324 K329 L330 Q331 | D324-D327 PolarHBondContact O-N 3.4Å; D324-D327 VanDerWaalsContact O-N 3.11Å; D327-K329 PolarHBondContact O-N 3.48Å; D327-K329 VanDerWaalsContact O-N 3.07Å; D327-K329 WeakPolarHBondContact OD1-CB 3.27Å; D327-K329 WeakPolarHBondContact OD1-CG 3.43Å; D327-K329 PolarHBondContact OD1-N 3.02Å; D327-L330 HydrophobicContact CB-CB 4.39Å; D327-L330 HydrophobicContact CB-CD1 4.38Å; D327-L330 HydrophobicContact CB-CG 4.35Å; D327-L330 PolarHBondContact O-N 3.07Å; D327-Q331 PolarHBondContact O-N 3.14Å; D327-Q331 VanDerWaalsContact O-N 3.1Å |
| 328 | P | 93.9 | Very high | 93.2 | Very high | 94 Ų | 94 | 59.3 Ų | 59.3 | 61% | 0.61 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -51.9 | -30.3 | 175.5 | -28.6 | 36.6 | 0 | 0 | 0 | 114.4 | K326 Q331 E332 | K326-P328 WeakPolarHBondContact O-CD 3.37Å; P328-Q331 PolarHBondContact O-N 3.3Å; P328-E332 WeakPolarHBondContact O-CB 3.47Å; P328-E332 PolarHBondContact O-N 3.03Å |
| 329 | K | 94.5 | Very high | 92.8 | Very high | 157 Ų | 157 | 63.4 Ų | 63.4 | 68% | 0.683 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.9 | -37.1 | 176.7 | -63.7 | 172 | -178.7 | 170.4 | 0 | 112.4 | D327 L333 | D327-K329 PolarHBondContact O-N 3.48Å; D327-K329 VanDerWaalsContact O-N 3.07Å; D327-K329 WeakPolarHBondContact OD1-CB 3.27Å; D327-K329 WeakPolarHBondContact OD1-CG 3.43Å; D327-K329 PolarHBondContact OD1-N 3.02Å; K329-L333 WeakPolarHBondContact O-CB 3.43Å; K329-L333 PolarHBondContact O-N 2.97Å |
| 330 | L | 93.8 | Very high | 91.7 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.5 | -32.8 | 176.8 | -71 | 179.4 | 0 | 0 | 0 | 111.2 | A96 D324 F325 D327 L333 V334 | A96-L330 HydrophobicContact CB-CD2 3.96Å; D324-L330 HydrophobicContact CB-CD1 4.36Å; D324-L330 WeakPolarHBondContact O-CD1 3.49Å; F325-L330 HydrophobicContact CD1-CB 3.71Å; F325-L330 HydrophobicContact CD2-CD1 4.48Å; F325-L330 HydrophobicContact CE1-CB 3.86Å; F325-L330 HydrophobicContact CE1-CD2 4.44Å; F325-L330 HydrophobicContact CE2-CD1 4.49Å; F325-L330 HydrophobicContact CG-CB 4.25Å; F325-L330 HydrophobicContact CZ-CD2 4.5Å; D327-L330 HydrophobicContact CB-CB 4.39Å; D327-L330 HydrophobicContact CB-CD1 4.38Å; D327-L330 HydrophobicContact CB-CG 4.35Å; D327-L330 PolarHBondContact O-N 3.07Å; L330-L333 HydrophobicContact CD2-CD2 4.02Å; L330-L333 PolarHBondContact O-N 3.08Å; L330-V334 WeakPolarHBondContact O-CG2 3.49Å; L330-V334 PolarHBondContact O-N 3.3Å |
| 331 | Q | 92.4 | Very high | 89.8 | Confident | 105 Ų | 105 | 70.9 Ų | 70.9 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 171.4 | -63.8 | 179.4 | -1.9 | 0 | 0 | 111.9 | F325 D327 P328 V334 R335 | F325-Q331 WeakPolarHBondContact O-CG 3.44Å; F325-Q331 PolarHBondContact O-NE2 3.16Å; D327-Q331 PolarHBondContact O-N 3.14Å; D327-Q331 VanDerWaalsContact O-N 3.1Å; P328-Q331 PolarHBondContact O-N 3.3Å; Q331-V334 PolarHBondContact O-N 2.82Å; Q331-R335 PolarHBondContact O-N 3.23Å; Q331-R335 VanDerWaalsContact O-N 3.08Å |
| 332 | E | 93.6 | Very high | 86.9 | Confident | 97 Ų | 97 | 79 Ų | 79 | 45% | 0.453 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 172.6 | 173.5 | 157.6 | -129 | 0 | 0 | 111.9 | P328 V334 R335 N336 | P328-E332 WeakPolarHBondContact O-CB 3.47Å; P328-E332 PolarHBondContact O-N 3.03Å; E332-V334 VanDerWaalsContact C-N 3.3Å; E332-V334 PolarHBondContact O-N 3.3Å; E332-R335 PolarHBondContact O-N 2.97Å; E332-R335 IonicContact OE1-NH2 2.74Å; E332-R335 PolarHBondContact OE1-NH2 3.29Å; E332-N336 VanDerWaalsContact CG-ND2 3.32Å; E332-N336 WeakPolarHBondContact CG-ND2 3.27Å; E332-N336 WeakPolarHBondContact O-CB 3.46Å; E332-N336 PolarHBondContact O-N 2.96Å; E332-N336 PolarHBondContact O-OD1 3.5Å |
| 333 | L | 93.7 | Very high | 83.7 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 13% | 0.131 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58 | -41.4 | 175 | 179.5 | 62.2 | 0 | 0 | 0 | 112 | L89 K92 K329 L330 N336 A337 | L89-L333 HydrophobicContact CB-CD1 4.45Å; L89-L333 HydrophobicContact CD2-CD1 4.09Å; K92-L333 HydrophobicContact CB-CD1 4.08Å; K92-L333 HydrophobicContact CB-CD2 4Å; K329-L333 WeakPolarHBondContact O-CB 3.43Å; K329-L333 PolarHBondContact O-N 2.97Å; L330-L333 HydrophobicContact CD2-CD2 4.02Å; L330-L333 PolarHBondContact O-N 3.08Å; L333-N336 PolarHBondContact O-N 2.64Å; L333-A337 WeakPolarHBondContact O-CB 3.37Å; L333-A337 PolarHBondContact O-N 2.97Å |
| 334 | V | 92.8 | Very high | 80.5 | Confident | 17 Ų | 17 | 85.2 Ų | 85.2 | 10% | 0.103 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.7 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | Y93 L232 F325 L330 Q331 E332 N336 A337 Y338 | Y93-V334 HydrophobicContact CD2-CG2 3.69Å; Y93-V334 HydrophobicContact CE2-CG2 3.63Å; L232-V334 HydrophobicContact CD1-CG2 4.1Å; F325-V334 HydrophobicContact CD1-CG2 3.72Å; F325-V334 HydrophobicContact CE1-CG2 3.52Å; L330-V334 WeakPolarHBondContact O-CG2 3.49Å; L330-V334 PolarHBondContact O-N 3.3Å; Q331-V334 PolarHBondContact O-N 2.82Å; E332-V334 VanDerWaalsContact C-N 3.3Å; E332-V334 PolarHBondContact O-N 3.3Å; V334-N336 VanDerWaalsContact C-N 3.32Å; V334-N336 PolarHBondContact O-N 3.02Å; V334-A337 PolarHBondContact O-N 2.7Å; V334-Y338 PolarHBondContact O-N 2.81Å |
| 335 | R | 92.5 | Very high | 77.2 | Confident | 155 Ų | 155 | 88 Ų | 88 | 59% | 0.585 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.2 | -45.1 | 177.3 | -178.8 | -175.7 | 68.2 | 173.3 | -5.5 | 111.4 | Q331 E332 Y338 P339 | Q331-R335 PolarHBondContact O-N 3.23Å; Q331-R335 VanDerWaalsContact O-N 3.08Å; E332-R335 PolarHBondContact O-N 2.97Å; E332-R335 IonicContact OE1-NH2 2.74Å; E332-R335 PolarHBondContact OE1-NH2 3.29Å; R335-Y338 CarbonylContact O-C 3.59Å; R335-P339 WeakPolarHBondContact O-CA 3.4Å |
| 336 | N | 91.9 | Very high | 73.9 | Confident | 60 Ų | 60 | 93.2 Ų | 93.2 | 32% | 0.321 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -79.3 | -29.2 | -173.9 | -60.6 | -1.4 | 0 | 0 | 0 | 112 | L89 E332 L333 V334 | L89-N336 HydrophobicContact CD1-CB 4.18Å; L89-N336 WeakPolarHBondContact CD1-O 3.29Å; E332-N336 VanDerWaalsContact CG-ND2 3.32Å; E332-N336 WeakPolarHBondContact CG-ND2 3.27Å; E332-N336 WeakPolarHBondContact O-CB 3.46Å; E332-N336 PolarHBondContact O-N 2.96Å; E332-N336 PolarHBondContact O-OD1 3.5Å; L333-N336 PolarHBondContact O-N 2.64Å; V334-N336 VanDerWaalsContact C-N 3.32Å; V334-N336 PolarHBondContact O-N 3.02Å |
| 337 | A | 89.9 | Confident | 70.7 | Confident | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -78.4 | -28 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L89 R90 L333 V334 | L89-A337 HydrophobicContact CB-CB 3.93Å; R90-A337 HydrophobicContact CG-CB 4Å; R90-A337 PolarHBondContact NE-O 2.94Å; L333-A337 WeakPolarHBondContact O-CB 3.37Å; L333-A337 PolarHBondContact O-N 2.97Å; V334-A337 PolarHBondContact O-N 2.7Å |
| 338 | Y | 90.2 | Very high | 67.4 | Low | 29 Ų | 29 | 94.6 Ų | 94.6 | 11% | 0.114 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -137.1 | 70.9 | -178.9 | -53.1 | -81.7 | 0 | 0 | 0 | 111 | G43 R44 R90 Y93 V334 R335 | G43-Y338 PolarHBondContact O-OH 2.74Å; R44-Y338 HydrophobicContact CG-CD1 3.99Å; R44-Y338 HydrophobicContact CG-CD2 3.83Å; R44-Y338 HydrophobicContact CG-CE1 3.86Å; R44-Y338 HydrophobicContact CG-CE2 3.7Å; R44-Y338 HydrophobicContact CG-CG 3.98Å; R90-Y338 HydrophobicContact CG-CE1 4.12Å; Y93-Y338 AromaticContact CD1-CE2 3.42Å; Y93-Y338 HydrophobicContact CD1-CE2 3.42Å; Y93-Y338 VanDerWaalsContact CD1-CE2 3.42Å; Y93-Y338 AromaticContact CD1-CZ 3.82Å; Y93-Y338 VanDerWaalsContact CD1-OH 3.3Å; Y93-Y338 WeakPolarHBondContact CD1-OH 3.16Å; Y93-Y338 HydrophobicContact CD2-CE2 4.5Å; Y93-Y338 AromaticContact CE1-CE2 3.5Å; Y93-Y338 HydrophobicContact CE1-CE2 3.5Å; Y93-Y338 VanDerWaalsContact CE1-CE2 3.5Å; Y93-Y338 AromaticContact CE1-CZ 3.85Å; Y93-Y338 WeakPolarHBondContact CE1-OH 3.46Å; Y93-Y338 AromaticContact CG-CE2 3.91Å; Y93-Y338 HydrophobicContact CG-CE2 3.91Å; V334-Y338 PolarHBondContact O-N 2.81Å; R335-Y338 CarbonylContact O-C 3.59Å |
| 339 | P | 86.4 | Confident | 64.3 | Low | 86 Ų | 86 | 95.8 Ų | 95.8 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | trans | -62.3 | 138.2 | 176.1 | 26.5 | -34.8 | 0 | 0 | 0 | 111 | R335 | R335-P339 WeakPolarHBondContact O-CA 3.4Š| ||
| 340 | T | 70.8 | Confident | 61 | Low | 115 Ų | 115 | 92.9 Ų | 92.9 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | trans | -82.4 | 128.8 | 175.9 | 42.1 | 0 | 0 | 0 | 0 | 110.6 | E342 | T340-E342 PolarHBondContact O-N 3.09Š| ||
| 341 | V | 52.7 | Low | 58.2 | Low | 149 Ų | 149 | 97.4 Ų | 97.4 | 90% | 0.903 | 55% | 0.55 | S | S | * | * | trans | -83.9 | 104.2 | 169.8 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 342 | E | 33.9 | Very low | 55.2 | Low | 170 Ų | 170 | 99 Ų | 99 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | trans | -73.1 | 149.2 | 173.4 | -64.9 | -171.4 | 161.8 | 0 | 0 | 110.9 | T340 | T340-E342 PolarHBondContact O-N 3.09Š| ||
| 343 | G | 28.1 | Very low | 52.2 | Low | 71 Ų | 71 | 103 Ų | 103 | 73% | 0.732 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -77.8 | 177.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 344 | N | 25.5 | Very low | 49.7 | Very low | 174 Ų | 174 | 105.2 Ų | 105.2 | 93% | 0.93 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 66.4 | 47.6 | 174.4 | -66.7 | -7.8 | 0 | 0 | 0 | 117 | ||
| 345 | S | 24.8 | Very low | 47.2 | Very low | 93 Ų | 93 | 109.8 Ų | 109.8 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | trans | -146.8 | 143.7 | 138.1 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | V347 | S345-V347 PolarHBondContact O-N 3.42Å; S345-V347 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 346 | S | 23.8 | Very low | 45.3 | Very low | 122 Ų | 122 | 107.4 Ų | 107.4 | 85% | 0.853 | 62% | 0.624 | S | S | * | * | trans | -76.8 | 63.7 | 168.2 | 58.7 | 0 | 0 | 0 | 0 | 109.4 | N348 | S346-N348 PolarHBondContact O-N 3.41Š| ||
| 347 | V | 25.2 | Very low | 44 | Very low | 104 Ų | 104 | 105.7 Ų | 105.7 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | trans | -66 | 96.3 | 162.6 | 178.5 | 0 | 0 | 0 | 0 | 105.8 | S345 V349 | S345-V347 PolarHBondContact O-N 3.42Å; S345-V347 WeakPolarHBondContact OG-CG2 3.44Å; V347-V349 HydrophobicContact CG1-CG2 4.49Å; V347-V349 PolarHBondContact O-N 3.29Å | ||
| 348 | N | 24.9 | Very low | 43.2 | Very low | 127 Ų | 127 | 106 Ų | 106 | 68% | 0.679 | 62% | 0.616 | S | S | * | * | trans | -48.9 | 114.5 | 146.2 | -78.8 | -8.6 | 0 | 0 | 0 | 105.3 | S346 N350 | S346-N348 PolarHBondContact O-N 3.41Å; N348-N350 VanDerWaalsContact CB-OD1 3.26Å; N348-N350 WeakPolarHBondContact CB-OD1 3.24Å; N348-N350 PolarHBondContact O-N 2.77Å | ||
| 349 | V | 28 | Very low | 42.6 | Very low | 119 Ų | 119 | 106.2 Ų | 106.2 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | trans | -69 | 83.5 | 161.9 | 179.8 | 0 | 0 | 0 | 0 | 104.6 | V347 L351 | V347-V349 HydrophobicContact CG1-CG2 4.49Å; V347-V349 PolarHBondContact O-N 3.29Å; V349-L351 PolarHBondContact O-N 3.27Å | ||
| 350 | N | 27 | Very low | 42.1 | Very low | 96 Ų | 96 | 106.2 Ų | 106.2 | 51% | 0.513 | 62% | 0.615 | S | S | . | * | trans | -57.7 | 108.3 | 175.3 | -80 | -1.9 | 0 | 0 | 0 | 106 | N348 E352 E353 | N348-N350 VanDerWaalsContact CB-OD1 3.26Å; N348-N350 WeakPolarHBondContact CB-OD1 3.24Å; N348-N350 PolarHBondContact O-N 2.77Å; N350-E352 PolarHBondContact O-N 3.1Å; N350-E353 PolarHBondContact O-N 3.39Å | ||
| 351 | L | 34.2 | Very low | 42.6 | Very low | 132 Ų | 132 | 106.8 Ų | 106.8 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 18.2 | 176.5 | -71.8 | 158.7 | 0 | 0 | 0 | 112.6 | V349 | V349-L351 PolarHBondContact O-N 3.27Š|
| 352 | E | 30.3 | Very low | 44.1 | Very low | 139 Ų | 139 | 101.2 Ų | 101.2 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -20.1 | -172.6 | -49.1 | -157.8 | 116.2 | 0 | 0 | 111.4 | N350 R597 | N350-E352 PolarHBondContact O-N 3.1Å; E352-R597 IonicContact OE1-NH1 3.82Å; E352-R597 PolarHBondContact OE1-NH1 3.19Å |
| 353 | E | 30.5 | Very low | 46.7 | Very low | 179 Ų | 179 | 93.8 Ų | 93.8 | 84% | 0.836 | 54% | 0.54 | S | S | * | . | trans | -107.5 | 62.9 | 169.3 | -69.2 | -164.6 | 166.9 | 0 | 0 | 111.5 | N350 P355 | N350-E353 PolarHBondContact O-N 3.39Å; E353-P355 WeakPolarHBondContact O-CD 3.33Å | ||
| 354 | V | 40.4 | Very low | 49.6 | Very low | 72 Ų | 72 | 94.7 Ų | 94.7 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | trans | -93.1 | 106.9 | 168.7 | -164.7 | 0 | 0 | 0 | 0 | 108.7 | T356 M357 | V354-T356 PolarHBondContact O-N 3.11Å; V354-T356 VanDerWaalsContact O-N 3.09Å; V354-M357 HydrophobicContact CB-CG 4.13Å; V354-M357 HydrophobicContact CG1-CG 3.43Å; V354-M357 VanDerWaalsContact CG1-CG 3.43Å; V354-M357 HydrophobicContact CG1-SD 3.67Å | ||
| 355 | P | 40.2 | Very low | 52.7 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 73% | 0.734 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 116.5 | -171.4 | 22.3 | -33.1 | 0 | 0 | 0 | 111.7 | E353 M357 | E353-P355 WeakPolarHBondContact O-CD 3.33Å; P355-M357 PolarHBondContact O-N 3.03Å; P355-M357 VanDerWaalsContact O-N 3.15Å |
| 356 | T | 53.1 | Low | 55.9 | Low | 105 Ų | 105 | 84.4 Ų | 84.4 | 64% | 0.644 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 26.6 | 68.4 | 173.8 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | V354 F358 P600 | V354-T356 PolarHBondContact O-N 3.11Å; V354-T356 VanDerWaalsContact O-N 3.09Å; T356-F358 PolarHBondContact O-N 3.31Å; T356-P600 HydrophobicContact CG2-CB 3.81Å; T356-P600 HydrophobicContact CG2-CG 3.92Å |
| 357 | M | 63.3 | Low | 59.3 | Low | 25 Ų | 25 | 83.3 Ų | 83.3 | 12% | 0.123 | 45% | 0.45 | C | S | . | . | trans | -59 | -34.9 | 179.1 | -68.8 | -141.8 | 77.5 | 0 | 0 | 112.8 | Y76 W84 V354 P355 R509 | Y76-M357 HydrophobicContact CE2-CE 3.7Å; Y76-M357 WeakPolarHBondContact OH-CE 3.27Å; W84-M357 HydrophobicContact CB-CE 4.22Å; V354-M357 HydrophobicContact CB-CG 4.13Å; V354-M357 HydrophobicContact CG1-CG 3.43Å; V354-M357 VanDerWaalsContact CG1-CG 3.43Å; V354-M357 HydrophobicContact CG1-SD 3.67Å; P355-M357 PolarHBondContact O-N 3.03Å; P355-M357 VanDerWaalsContact O-N 3.15Å; M357-R509 WeakPolarHBondContact O-CD 3.27Å; M357-R509 PolarHBondContact O-NE 2.86Å; M357-R509 PolarHBondContact O-NH1 3.38Å; M357-R509 PolarHBondContact O-NH2 3.41Å | ||
| 358 | F | 75 | Confident | 62.5 | Low | 7 Ų | 7 | 83.3 Ų | 83.3 | 3% | 0.031 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -97.7 | 144 | -170.6 | -61.1 | -97.3 | 0 | 0 | 0 | 112 | T356 N506 R509 L510 L513 H598 F599 | T356-F358 PolarHBondContact O-N 3.31Å; F358-N506 VanDerWaalsContact CA-OD1 3.31Å; F358-N506 WeakPolarHBondContact CA-OD1 3.39Å; F358-N506 WeakPolarHBondContact CB-OD1 3.14Å; F358-N506 HydrophobicContact CD1-CB 3.92Å; F358-N506 WeakPolarHBondContact CE1-O 3.29Å; F358-R509 HydrophobicContact CD1-CB 3.96Å; F358-R509 HydrophobicContact CE1-CB 3.48Å; F358-R509 VanDerWaalsContact CE1-CB 3.48Å; F358-R509 HydrophobicContact CZ-CB 3.82Å; F358-L510 HydrophobicContact CE1-CB 4.08Å; F358-L510 HydrophobicContact CZ-CB 4.42Å; F358-L513 HydrophobicContact CE2-CD1 4.1Å; F358-L513 HydrophobicContact CZ-CD1 4.02Å; F358-H598 WeakPolarHBondContact CD2-O 3.21Å; F358-H598 HydrophobicContact CE2-CB 3.81Å; F358-H598 WeakPolarHBondContact CE2-O 3.39Å; F358-H598 HydrophobicContact CZ-CB 4.5Å; F358-F599 HydrophobicContact CB-CD1 3.94Å; F358-F599 HydrophobicContact CB-CE1 4.32Å; F358-F599 AromaticContact CD1-CD1 3.68Å; F358-F599 HydrophobicContact CD1-CD1 3.68Å; F358-F599 AromaticContact CD1-CE1 3.24Å; F358-F599 HydrophobicContact CD1-CE1 3.24Å; F358-F599 HydrophobicContact CD1-CG 4.5Å; F358-F599 AromaticContact CD1-CZ 3.74Å; F358-F599 HydrophobicContact CD1-CZ 3.74Å; F358-F599 HydrophobicContact CD2-CD1 4.24Å; F358-F599 HydrophobicContact CD2-CE1 4.49Å; F358-F599 HydrophobicContact CD2-CG 4.42Å; F358-F599 HydrophobicContact CE1-CD1 4.23Å; F358-F599 AromaticContact CE1-CE1 3.55Å; F358-F599 HydrophobicContact CE1-CE1 3.55Å; F358-F599 HydrophobicContact CE1-CE2 4.16Å; F358-F599 AromaticContact CE1-CZ 3.5Å; F358-F599 HydrophobicContact CE1-CZ 3.5Å; F358-F599 AromaticContact CG-CD1 3.68Å; F358-F599 HydrophobicContact CG-CD1 3.68Å; F358-F599 AromaticContact CG-CE1 3.77Å; F358-F599 HydrophobicContact CG-CE1 3.77Å; F358-F599 HydrophobicContact CG-CG 4.29Å; F358-F599 HydrophobicContact CG-CZ 4.44Å; F358-F599 HydrophobicContact CZ-CE1 4.33Å; F358-F599 HydrophobicContact CZ-CE2 4.26Å; F358-F599 HydrophobicContact CZ-CZ 4.05Å |
| 359 | T | 77.1 | Confident | 65.8 | Low | 32 Ų | 32 | 77.5 Ų | 77.5 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | trans | -89.2 | 140.6 | 176.4 | 35 | 0 | 0 | 0 | 0 | 110.6 | E361 E502 N506 R509 | T359-E361 VanDerWaalsContact C-N 3.29Å; T359-E502 WeakPolarHBondContact CB-OE2 3.26Å; T359-E502 PolarHBondContact OG1-OE2 3.15Å; T359-N506 PolarHBondContact N-OD1 2.93Å; T359-N506 PolarHBondContact O-ND2 3.39Å; T359-N506 PolarHBondContact OG1-OD1 3.48Å; T359-R509 PolarHBondContact OG1-NH1 3.4Å; T359-R509 VanDerWaalsContact OG1-NH1 3.11Å | ||
| 360 | N | 75.1 | Confident | 69 | Low | 87 Ų | 87 | 73.3 Ų | 73.3 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | trans | -94.8 | 14.4 | 173.6 | -71.5 | -29.7 | 0 | 0 | 0 | 112.2 | ||||
| 361 | E | 82 | Confident | 72.2 | Confident | 126 Ų | 126 | 73.1 Ų | 73.1 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | trans | -76.3 | 143.8 | 178.8 | -71 | -178.2 | -142.2 | 0 | 0 | 111.1 | T359 E502 Q572 | T359-E361 VanDerWaalsContact C-N 3.29Å; E361-E502 HydrophobicContact CB-CB 4.3Å; E361-E502 HydrophobicContact CB-CG 3.74Å; E361-Q572 PolarHBondContact O-NE2 3.15Å | ||
| 362 | K | 83.6 | Confident | 75.1 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 14% | 0.143 | 37% | 0.369 | C | S | . | . | trans | -132.9 | 138.8 | -168.1 | -77 | -178.2 | -177.7 | -164 | 0 | 110.9 | L366 Q367 D370 Q572 S574 | K362-L366 HydrophobicContact CB-CB 4.09Å; K362-L366 HydrophobicContact CD-CB 4.15Å; K362-L366 HydrophobicContact CG-CB 4.32Å; K362-Q367 HydrophobicContact CB-CG 4.21Å; K362-Q367 PolarHBondContact O-NE2 3.41Å; K362-D370 WeakPolarHBondContact CD-OD2 3.45Å; K362-D370 WeakPolarHBondContact CE-OD2 3.3Å; K362-D370 VanDerWaalsContact NZ-CG 3.31Å; K362-D370 IonicContact NZ-OD1 2.8Å; K362-D370 PolarHBondContact NZ-OD1 2.91Å; K362-D370 IonicContact NZ-OD2 2.65Å; K362-D370 PolarHBondContact NZ-OD2 3.01Å; K362-Q572 WeakPolarHBondContact CE-O 3.44Å; K362-Q572 PolarHBondContact NZ-O 2.92Å; K362-Q572 VanDerWaalsContact NZ-O 3.1Å; K362-S574 PolarHBondContact NZ-OG 3.39Å | ||
| 363 | P | 88.2 | Confident | 78.2 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | trans | -70.9 | 161.5 | 172 | 31.2 | -34.4 | 0 | 0 | 0 | 111.6 | I365 L366 Q367 F497 H500 | P363-I365 VanDerWaalsContact C-N 3.31Å; P363-I365 HydrophobicContact CG-CG2 4.47Å; P363-I365 PolarHBondContact O-N 3.13Å; P363-I365 VanDerWaalsContact O-N 3.14Å; P363-L366 HydrophobicContact CG-CD1 4.4Å; P363-L366 HydrophobicContact CG-CG 4.13Å; P363-L366 PolarHBondContact O-N 3.41Å; P363-Q367 PolarHBondContact O-N 2.92Å; P363-Q367 VanDerWaalsContact O-N 3.15Å; P363-F497 HydrophobicContact CG-CB 3.74Å; P363-H500 HydrophobicContact CB-CB 4.21Å; P363-H500 HydrophobicContact CG-CB 4.37Å | ||
| 364 | T | 89.8 | Confident | 81.2 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 55% | 0.546 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -49.7 | -44.4 | -170.5 | -43.9 | 0 | 0 | 0 | 0 | 113.8 | L366 Q367 E368 | T364-L366 PolarHBondContact O-N 3.39Å; T364-Q367 CarbonylContact O-C 3.59Å; T364-Q367 WeakPolarHBondContact O-CA 3.34Å; T364-Q367 WeakPolarHBondContact O-CB 3.46Å; T364-Q367 PolarHBondContact O-N 2.9Å; T364-E368 WeakPolarHBondContact O-CG 3.37Å; T364-E368 PolarHBondContact O-N 3.14Å |
| 365 | I | 90.3 | Very high | 83.7 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -31 | 178.9 | -172.8 | 59.1 | 0 | 0 | 0 | 113.5 | P363 I369 I492 D496 F497 | P363-I365 VanDerWaalsContact C-N 3.31Å; P363-I365 HydrophobicContact CG-CG2 4.47Å; P363-I365 PolarHBondContact O-N 3.13Å; P363-I365 VanDerWaalsContact O-N 3.14Å; I365-I369 WeakPolarHBondContact O-CG1 3.36Å; I365-I369 PolarHBondContact O-N 3.31Å; I365-I492 HydrophobicContact CG1-CG2 4.46Å; I365-D496 HydrophobicContact CG2-CB 4.42Å; I365-D496 WeakPolarHBondContact CG2-O 3.46Å; I365-F497 HydrophobicContact CG2-CB 4.3Å |
| 366 | L | 92.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -83.1 | -29.1 | 175.3 | -58.9 | -163.4 | 0 | 0 | 0 | 111.9 | K362 P363 T364 I369 D370 I492 F497 Q572 L573 | K362-L366 HydrophobicContact CB-CB 4.09Å; K362-L366 HydrophobicContact CD-CB 4.15Å; K362-L366 HydrophobicContact CG-CB 4.32Å; P363-L366 HydrophobicContact CG-CD1 4.4Å; P363-L366 HydrophobicContact CG-CG 4.13Å; P363-L366 PolarHBondContact O-N 3.41Å; T364-L366 PolarHBondContact O-N 3.39Å; L366-I369 HydrophobicContact CD2-CD1 4.08Å; L366-I369 PolarHBondContact O-N 3.29Å; L366-D370 PolarHBondContact O-N 3.15Å; L366-I492 HydrophobicContact CD2-CD1 4.19Å; L366-F497 HydrophobicContact CD1-CB 4.06Å; L366-F497 HydrophobicContact CD1-CD2 3.97Å; L366-F497 HydrophobicContact CD1-CG 4.08Å; L366-F497 HydrophobicContact CD2-CB 4.27Å; L366-F497 HydrophobicContact CD2-CD1 4.32Å; L366-F497 HydrophobicContact CD2-CG 4.21Å; L366-F497 HydrophobicContact CG-CB 4.04Å; L366-F497 HydrophobicContact CG-CG 4.33Å; L366-Q572 HydrophobicContact CD1-CB 4.09Å; L366-L573 HydrophobicContact CD1-CD2 4.29Å; L366-L573 HydrophobicContact CD2-CD2 3.51Å |
| 367 | Q | 93.6 | Very high | 88 | Confident | 99 Ų | 99 | 57.3 Ų | 57.3 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 169.6 | -58 | 179.7 | 12.3 | 0 | 0 | 111.3 | K362 P363 T364 D370 N371 | K362-Q367 HydrophobicContact CB-CG 4.21Å; K362-Q367 PolarHBondContact O-NE2 3.41Å; P363-Q367 PolarHBondContact O-N 2.92Å; P363-Q367 VanDerWaalsContact O-N 3.15Å; T364-Q367 CarbonylContact O-C 3.59Å; T364-Q367 WeakPolarHBondContact O-CA 3.34Å; T364-Q367 WeakPolarHBondContact O-CB 3.46Å; T364-Q367 PolarHBondContact O-N 2.9Å; Q367-D370 PolarHBondContact O-N 3.28Å; Q367-N371 WeakPolarHBondContact O-CB 3.26Å; Q367-N371 PolarHBondContact O-N 2.95Å; Q367-N371 PolarHBondContact O-ND2 3.19Å |
| 368 | E | 93.7 | Very high | 89.5 | Confident | 104 Ų | 104 | 61.6 Ų | 61.6 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 173.2 | -73.1 | 171.3 | -155.1 | 0 | 0 | 112.1 | T364 N371 R372 | T364-E368 WeakPolarHBondContact O-CG 3.37Å; T364-E368 PolarHBondContact O-N 3.14Å; E368-N371 PolarHBondContact O-N 3.31Å; E368-R372 WeakPolarHBondContact O-CG 3.33Å; E368-R372 PolarHBondContact O-N 2.61Å |
| 369 | I | 94.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 172.8 | -69.5 | 167.8 | 0 | 0 | 0 | 111 | I365 L366 N371 R372 F373 Y443 I445 I492 | I365-I369 WeakPolarHBondContact O-CG1 3.36Å; I365-I369 PolarHBondContact O-N 3.31Å; L366-I369 HydrophobicContact CD2-CD1 4.08Å; L366-I369 PolarHBondContact O-N 3.29Å; I369-N371 PolarHBondContact O-N 3.12Å; I369-R372 PolarHBondContact O-N 2.94Å; I369-F373 VanDerWaalsContact O-CB 3.32Å; I369-F373 WeakPolarHBondContact O-CB 3.18Å; I369-F373 PolarHBondContact O-N 3.06Å; I369-Y443 HydrophobicContact CG2-CE1 4.19Å; I369-I445 HydrophobicContact CG2-CD1 3.93Å; I369-I492 HydrophobicContact CD1-CD1 3.99Å; I369-I492 HydrophobicContact CD1-CG2 4.06Å |
| 370 | D | 94.4 | Very high | 90.9 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.1 | -75.7 | -13.5 | 0 | 0 | 0 | 111.7 | K362 L366 Q367 F373 N374 R411 | K362-D370 WeakPolarHBondContact CD-OD2 3.45Å; K362-D370 WeakPolarHBondContact CE-OD2 3.3Å; K362-D370 VanDerWaalsContact NZ-CG 3.31Å; K362-D370 IonicContact NZ-OD1 2.8Å; K362-D370 PolarHBondContact NZ-OD1 2.91Å; K362-D370 IonicContact NZ-OD2 2.65Å; K362-D370 PolarHBondContact NZ-OD2 3.01Å; L366-D370 PolarHBondContact O-N 3.15Å; Q367-D370 PolarHBondContact O-N 3.28Å; D370-F373 PolarHBondContact O-N 2.99Å; D370-N374 WeakPolarHBondContact O-CB 3.17Å; D370-N374 PolarHBondContact O-N 2.86Å; D370-N374 PolarHBondContact O-ND2 2.95Å; D370-N374 VanDerWaalsContact O-ND2 3.11Å; D370-R411 IonicContact OD1-CZ 3.56Å; D370-R411 IonicContact OD1-NH1 2.74Å; D370-R411 PolarHBondContact OD1-NH1 3.24Å; D370-R411 IonicContact OD1-NH2 3.65Å; D370-R411 PolarHBondContact OD1-NH2 2.98Å |
| 371 | N | 95.1 | Very high | 91.6 | Very high | 93 Ų | 93 | 65.5 Ų | 65.5 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.3 | -51.9 | 175 | -68.5 | -22.5 | 0 | 0 | 0 | 111.3 | Q367 E368 I369 F373 N374 D375 | Q367-N371 WeakPolarHBondContact O-CB 3.26Å; Q367-N371 PolarHBondContact O-N 2.95Å; Q367-N371 PolarHBondContact O-ND2 3.19Å; E368-N371 PolarHBondContact O-N 3.31Å; I369-N371 PolarHBondContact O-N 3.12Å; N371-F373 PolarHBondContact O-N 2.9Å; N371-N374 CarbonylContact O-C 3.54Å; N371-N374 WeakPolarHBondContact O-CA 3.47Å; N371-N374 WeakPolarHBondContact O-CB 3.34Å; N371-N374 PolarHBondContact O-N 3.46Å; N371-D375 PolarHBondContact O-N 2.96Å |
| 372 | R | 94.7 | Very high | 92.1 | Very high | 95 Ų | 95 | 63.7 Ų | 63.7 | 36% | 0.358 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.4 | -35 | 176.7 | -72.5 | -177.3 | 65 | -156.2 | -7.8 | 113 | E368 I369 M376 Y443 L486 N487 F489 S490 | E368-R372 WeakPolarHBondContact O-CG 3.33Å; E368-R372 PolarHBondContact O-N 2.61Å; I369-R372 PolarHBondContact O-N 2.94Å; R372-M376 PolarHBondContact O-N 3.26Å; R372-Y443 HydrophobicContact CB-CE2 3.98Å; R372-Y443 PolarHBondContact NE-OH 2.81Å; R372-Y443 PolarHBondContact NH1-OH 3.23Å; R372-Y443 PolarHBondContact NH2-OH 3.18Å; R372-L486 PolarHBondContact NH2-O 2.8Å; R372-N487 PolarHBondContact NH2-O 2.92Å; R372-F489 VanDerWaalsContact CZ-O 3.31Å; R372-F489 PolarHBondContact NH1-O 2.85Å; R372-F489 PolarHBondContact NH2-O 3.38Å; R372-S490 PolarHBondContact NH1-OG 2.9Å; R372-S490 VanDerWaalsContact NH1-OG 3.11Å |
| 373 | F | 95.2 | Very high | 92.5 | Very high | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.6 | -35.6 | 172.6 | 175.3 | -96.2 | 0 | 0 | 0 | 112.8 | I369 D370 N371 M376 R409 R411 Y443 | I369-F373 VanDerWaalsContact O-CB 3.32Å; I369-F373 WeakPolarHBondContact O-CB 3.18Å; I369-F373 PolarHBondContact O-N 3.06Å; D370-F373 PolarHBondContact O-N 2.99Å; N371-F373 PolarHBondContact O-N 2.9Å; F373-M376 HydrophobicContact CD2-CE 3.61Å; F373-M376 HydrophobicContact CE2-CE 3.8Å; F373-M376 HydrophobicContact CG-CE 4.45Å; F373-M376 WeakPolarHBondContact O-CB 3.28Å; F373-R409 HydrophobicContact CE1-CB 4.18Å; F373-R409 HydrophobicContact CE2-CB 3.63Å; F373-R409 HydrophobicContact CZ-CB 3.42Å; F373-R409 VanDerWaalsContact CZ-CB 3.42Å; F373-R409 HydrophobicContact CZ-CG 4.49Å; F373-R409 WeakPolarHBondContact O-CD 3.45Å; F373-R409 PolarHBondContact O-NE 3.05Å; F373-R411 HydrophobicContact CD2-CG 3.54Å; F373-R411 HydrophobicContact CE2-CG 3.26Å; F373-R411 HydrophobicContact CG-CG 4.35Å; F373-R411 HydrophobicContact CZ-CG 3.86Å; F373-Y443 HydrophobicContact CD2-CG 4.24Å |
| 374 | N | 93.8 | Very high | 92.7 | Very high | 85 Ų | 85 | 69.1 Ų | 69.1 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.5 | -27.1 | 179.1 | -74 | -28.1 | 0 | 0 | 0 | 113.5 | D370 N371 R409 | D370-N374 WeakPolarHBondContact O-CB 3.17Å; D370-N374 PolarHBondContact O-N 2.86Å; D370-N374 PolarHBondContact O-ND2 2.95Å; D370-N374 VanDerWaalsContact O-ND2 3.11Å; N371-N374 CarbonylContact O-C 3.54Å; N371-N374 WeakPolarHBondContact O-CA 3.47Å; N371-N374 WeakPolarHBondContact O-CB 3.34Å; N371-N374 PolarHBondContact O-N 3.46Å; N374-R409 PolarHBondContact O-NH1 3.31Å; N374-R409 PolarHBondContact O-NH2 3.14Å |
| 375 | D | 92.7 | Very high | 92.9 | Very high | 136 Ų | 136 | 65 Ų | 65 | 73% | 0.727 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -84.9 | -24.1 | 176.3 | -63.3 | -29.9 | 0 | 0 | 0 | 113 | N371 | N371-D375 PolarHBondContact O-N 2.96Å |
| 376 | M | 91.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -52 | 144.5 | 177.1 | -175.6 | 176.8 | 54.5 | 0 | 0 | 112.5 | R372 F373 R409 G441 Y443 Q488 | R372-M376 PolarHBondContact O-N 3.26Å; F373-M376 HydrophobicContact CD2-CE 3.61Å; F373-M376 HydrophobicContact CE2-CE 3.8Å; F373-M376 HydrophobicContact CG-CE 4.45Å; F373-M376 WeakPolarHBondContact O-CB 3.28Å; M376-R409 HydrophobicContact CE-CB 3.9Å; M376-R409 HydrophobicContact CE-CG 3.94Å; M376-R409 PolarHBondContact O-NE 3.15Å; M376-R409 PolarHBondContact O-NH2 2.9Å; M376-G441 VanDerWaalsContact CE-C 3.45Å; M376-G441 WeakPolarHBondContact CE-O 3.45Å; M376-Y443 HydrophobicContact CE-CD2 4.43Å; M376-Y443 HydrophobicContact SD-CD2 3.85Å; M376-Y443 HydrophobicContact SD-CG 4.33Å; M376-Q488 HydrophobicContact CG-CG 3.93Å; M376-Q488 HydrophobicContact SD-CB 4.09Å; M376-Q488 VanDerWaalsContact SD-CD 3.6Å; M376-Q488 HydrophobicContact SD-CG 3.78Å; M376-Q488 PolarHBondContact SD-OE1 3Å; M376-Q488 VanDerWaalsContact SD-OE1 3.38Å |
| 377 | P | 91.8 | Very high | 93.2 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 40% | 0.403 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 150.3 | 169.4 | -29.2 | 37 | 0 | 0 | 0 | 112.9 | Y440 G441 | P377-Y440 HydrophobicContact CB-CD1 3.66Å; P377-Y440 HydrophobicContact CB-CE1 4.43Å; P377-Y440 HydrophobicContact CB-CG 4.1Å; P377-Y440 HydrophobicContact CG-CD1 3.87Å; P377-Y440 HydrophobicContact CG-CE1 4.29Å; P377-G441 WeakPolarHBondContact O-CA 3.41Å; P377-G441 PolarHBondContact O-N 2.8Å |
| 378 | K | 94.4 | Very high | 93.2 | Very high | 114 Ų | 114 | 62.6 Ų | 62.6 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 158.4 | 173.2 | -67 | 177.6 | 177.2 | 174 | 0 | 110.1 | T380 N408 | K378-T380 PolarHBondContact O-N 3.43Å; K378-T380 VanDerWaalsContact O-N 3.15Å; K378-N408 HydrophobicContact CB-CB 4.48Å |
| 379 | I | 93.3 | Very high | 93.3 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | trans | -60.5 | 115.8 | 171.4 | -62.5 | 165.8 | 0 | 0 | 0 | 108.4 | Q382 L385 L404 N408 L410 Y440 | I379-Q382 HydrophobicContact CG2-CG 4.07Å; I379-L385 HydrophobicContact CB-CD1 4.45Å; I379-L385 HydrophobicContact CD1-CD1 3.67Å; I379-L385 HydrophobicContact CG1-CD1 3.7Å; I379-L385 HydrophobicContact CG2-CD1 3.9Å; I379-L404 HydrophobicContact CD1-CD2 3.46Å; I379-L404 VanDerWaalsContact CD1-CD2 3.46Å; I379-N408 WeakPolarHBondContact CB-O 3.44Å; I379-N408 VanDerWaalsContact CG1-O 3.29Å; I379-N408 WeakPolarHBondContact CG1-O 3.26Å; I379-N408 PolarHBondContact N-O 3.24Å; I379-L410 HydrophobicContact CD1-CD1 4.34Å; I379-L410 HydrophobicContact CD1-CG 4.13Å; I379-Y440 WeakPolarHBondContact CA-O 3.12Å; I379-Y440 WeakPolarHBondContact CG1-O 3.32Å | ||
| 380 | T | 87.6 | Confident | 93.2 | Very high | 117 Ų | 117 | 59.9 Ų | 59.9 | 72% | 0.718 | 32% | 0.316 | S | S | * | . | trans | -93.2 | -31 | -178.8 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | K378 Y440 | K378-T380 PolarHBondContact O-N 3.43Å; K378-T380 VanDerWaalsContact O-N 3.15Å; T380-Y440 HydrophobicContact CG2-CD2 4.46Å | ||
| 381 | D | 89.6 | Confident | 93.1 | Very high | 68 Ų | 68 | 66 Ų | 66 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -134.8 | 113.3 | -179.7 | -172.8 | -39.5 | 0 | 0 | 0 | 108.6 | S383 I384 L385 | D381-S383 WeakPolarHBondContact OD1-CA 3.31Å; D381-S383 WeakPolarHBondContact OD1-CB 3.3Å; D381-S383 PolarHBondContact OD1-N 3.38Å; D381-I384 HydrophobicContact CB-CB 4.21Å; D381-I384 HydrophobicContact CB-CD1 4.17Å; D381-I384 HydrophobicContact CB-CG1 4.32Å; D381-I384 PolarHBondContact OD1-N 3.25Å; D381-I384 VanDerWaalsContact OD2-CD1 3.28Å; D381-I384 WeakPolarHBondContact OD2-CD1 3.31Å; D381-I384 WeakPolarHBondContact OD2-CG1 3.48Å; D381-L385 WeakPolarHBondContact O-CB 3.19Å; D381-L385 PolarHBondContact O-N 3.17Å | ||
| 382 | Q | 92.4 | Very high | 92.9 | Very high | 88 Ų | 88 | 63.9 Ų | 63.9 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.4 | -28.6 | 178.8 | -69.6 | -176.8 | -12.1 | 0 | 0 | 112.3 | I379 L385 L386 L404 | I379-Q382 HydrophobicContact CG2-CG 4.07Å; Q382-L385 PolarHBondContact O-N 3.07Å; Q382-L386 VanDerWaalsContact O-CB 3.3Å; Q382-L386 WeakPolarHBondContact O-CB 3.39Å; Q382-L386 WeakPolarHBondContact O-CD1 3.31Å; Q382-L386 WeakPolarHBondContact O-CG 3.43Å; Q382-L386 PolarHBondContact O-N 3.01Å; Q382-L404 HydrophobicContact CB-CD1 4.35Å; Q382-L404 HydrophobicContact CG-CD1 4.26Å |
| 383 | S | 92.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 60.2 Ų | 60.2 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.4 | -49.5 | 179 | -160.6 | 0 | 0 | 0 | 0 | 110.4 | D381 L385 L386 D387 | D381-S383 WeakPolarHBondContact OD1-CA 3.31Å; D381-S383 WeakPolarHBondContact OD1-CB 3.3Å; D381-S383 PolarHBondContact OD1-N 3.38Å; S383-L385 PolarHBondContact O-N 3.47Å; S383-L386 PolarHBondContact O-N 2.9Å; S383-D387 VanDerWaalsContact O-CB 3.28Å; S383-D387 WeakPolarHBondContact O-CB 3.41Å; S383-D387 PolarHBondContact O-N 2.83Å; S383-D387 VanDerWaalsContact O-OD2 3.09Å; S383-D387 PolarHBondContact OG-OD2 3.28Å; S383-D387 VanDerWaalsContact OG-OD2 3.08Å |
| 384 | I | 92.2 | Very high | 92.6 | Very high | 100 Ų | 100 | 65.6 Ų | 65.6 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58 | -39.1 | 176.8 | -67.3 | 176.3 | 0 | 0 | 0 | 110.7 | D381 S388 L439 | D381-I384 HydrophobicContact CB-CB 4.21Å; D381-I384 HydrophobicContact CB-CD1 4.17Å; D381-I384 HydrophobicContact CB-CG1 4.32Å; D381-I384 PolarHBondContact OD1-N 3.25Å; D381-I384 VanDerWaalsContact OD2-CD1 3.28Å; D381-I384 WeakPolarHBondContact OD2-CD1 3.31Å; D381-I384 WeakPolarHBondContact OD2-CG1 3.48Å; I384-S388 VanDerWaalsContact O-CB 3.23Å; I384-S388 WeakPolarHBondContact O-CB 3.04Å; I384-S388 PolarHBondContact O-N 3.41Å; I384-S388 VanDerWaalsContact O-N 3.08Å; I384-S388 PolarHBondContact O-OG 3.19Å; I384-L439 HydrophobicContact CG2-CD2 4.46Å |
| 385 | L | 94.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.7 | -53.1 | 176.7 | -176.3 | 145.9 | 0 | 0 | 0 | 111.6 | I379 D381 Q382 S383 D387 S388 F389 L404 L410 L439 V442 | I379-L385 HydrophobicContact CB-CD1 4.45Å; I379-L385 HydrophobicContact CD1-CD1 3.67Å; I379-L385 HydrophobicContact CG1-CD1 3.7Å; I379-L385 HydrophobicContact CG2-CD1 3.9Å; D381-L385 WeakPolarHBondContact O-CB 3.19Å; D381-L385 PolarHBondContact O-N 3.17Å; Q382-L385 PolarHBondContact O-N 3.07Å; S383-L385 PolarHBondContact O-N 3.47Å; L385-D387 VanDerWaalsContact C-N 3.34Å; L385-D387 PolarHBondContact O-N 2.91Å; L385-S388 WeakPolarHBondContact O-CB 3.43Å; L385-S388 PolarHBondContact O-N 2.98Å; L385-S388 VanDerWaalsContact O-N 3.08Å; L385-F389 HydrophobicContact CD1-CE2 4.37Å; L385-F389 HydrophobicContact CD2-CD2 3.6Å; L385-F389 HydrophobicContact CD2-CE2 3.74Å; L385-F389 HydrophobicContact CG-CD2 3.87Å; L385-F389 HydrophobicContact CG-CE2 3.89Å; L385-F389 WeakPolarHBondContact O-CD2 3.37Å; L385-F389 PolarHBondContact O-N 2.93Å; L385-L404 HydrophobicContact CD2-CD1 3.97Å; L385-L404 HydrophobicContact CD2-CD2 4.23Å; L385-L410 HydrophobicContact CD1-CD1 4.4Å; L385-L410 HydrophobicContact CD2-CD1 4.03Å; L385-L439 HydrophobicContact CG-CD1 4.25Å; L385-V442 HydrophobicContact CD1-CG2 3.6Å; L385-V442 HydrophobicContact CG-CG2 4.47Å |
| 386 | L | 94.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | -179.9 | -71.4 | 167 | 0 | 0 | 0 | 111.8 | Q382 S383 S388 F389 E390 K397 L400 E401 L404 | Q382-L386 VanDerWaalsContact O-CB 3.3Å; Q382-L386 WeakPolarHBondContact O-CB 3.39Å; Q382-L386 WeakPolarHBondContact O-CD1 3.31Å; Q382-L386 WeakPolarHBondContact O-CG 3.43Å; Q382-L386 PolarHBondContact O-N 3.01Å; S383-L386 PolarHBondContact O-N 2.9Å; L386-S388 PolarHBondContact O-N 3.42Å; L386-F389 PolarHBondContact O-N 2.43Å; L386-E390 VanDerWaalsContact O-CB 3.28Å; L386-E390 WeakPolarHBondContact O-CB 3.35Å; L386-E390 PolarHBondContact O-N 2.85Å; L386-K397 HydrophobicContact CB-CD 4.2Å; L386-K397 HydrophobicContact CB-CG 4.22Å; L386-K397 HydrophobicContact CD2-CG 4.26Å; L386-L400 HydrophobicContact CD2-CB 3.41Å; L386-L400 VanDerWaalsContact CD2-CB 3.41Å; L386-L400 HydrophobicContact CD2-CD1 4.27Å; L386-E401 HydrophobicContact CD1-CG 3.5Å; L386-E401 HydrophobicContact CD2-CG 3.94Å; L386-E401 HydrophobicContact CG-CG 4.38Å; L386-L404 HydrophobicContact CD1-CD1 4.16Å; L386-L404 HydrophobicContact CD2-CD1 3.67Å; L386-L404 HydrophobicContact CG-CD1 3.82Å |
| 387 | D | 93.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.2 | -13.3 | 178.9 | -58.6 | -28.9 | 0 | 0 | 0 | 112.7 | S383 L385 K391 K397 | S383-D387 VanDerWaalsContact O-CB 3.28Å; S383-D387 WeakPolarHBondContact O-CB 3.41Å; S383-D387 PolarHBondContact O-N 2.83Å; S383-D387 VanDerWaalsContact O-OD2 3.09Å; S383-D387 PolarHBondContact OG-OD2 3.28Å; S383-D387 VanDerWaalsContact OG-OD2 3.08Å; L385-D387 VanDerWaalsContact C-N 3.34Å; L385-D387 PolarHBondContact O-N 2.91Å; D387-K391 WeakPolarHBondContact O-CD 3.44Å; D387-K391 WeakPolarHBondContact O-CE 3.43Å; D387-K391 WeakPolarHBondContact O-CG 3.49Å; D387-K391 PolarHBondContact O-NZ 3.14Å; D387-K397 IonicContact OD1-NZ 3.31Å; D387-K397 PolarHBondContact OD1-NZ 3.03Å |
| 388 | S | 93.9 | Very high | 92.3 | Very high | 33 Ų | 33 | 61 Ų | 61 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -88.8 | -38.3 | 170.3 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | I384 L385 L386 | I384-S388 VanDerWaalsContact O-CB 3.23Å; I384-S388 WeakPolarHBondContact O-CB 3.04Å; I384-S388 PolarHBondContact O-N 3.41Å; I384-S388 VanDerWaalsContact O-N 3.08Å; I384-S388 PolarHBondContact O-OG 3.19Å; L385-S388 WeakPolarHBondContact O-CB 3.43Å; L385-S388 PolarHBondContact O-N 2.98Å; L385-S388 VanDerWaalsContact O-N 3.08Å; L386-S388 PolarHBondContact O-N 3.42Å |
| 389 | F | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 172.5 | -92.2 | -87.2 | 0 | 0 | 0 | 111.6 | L385 L386 K391 E392 F393 L400 L410 L436 L439 V442 I577 L608 | L385-F389 HydrophobicContact CD1-CE2 4.37Å; L385-F389 HydrophobicContact CD2-CD2 3.6Å; L385-F389 HydrophobicContact CD2-CE2 3.74Å; L385-F389 HydrophobicContact CG-CD2 3.87Å; L385-F389 HydrophobicContact CG-CE2 3.89Å; L385-F389 WeakPolarHBondContact O-CD2 3.37Å; L385-F389 PolarHBondContact O-N 2.93Å; L386-F389 PolarHBondContact O-N 2.43Å; F389-K391 PolarHBondContact O-N 2.9Å; F389-E392 PolarHBondContact O-N 2.86Å; F389-F393 HydrophobicContact CD1-CD2 4.31Å; F389-F393 PolarHBondContact O-N 3.17Å; F389-L400 HydrophobicContact CB-CD1 3.34Å; F389-L400 HydrophobicContact CD1-CD1 3.75Å; F389-L400 HydrophobicContact CD1-CD2 4.46Å; F389-L400 HydrophobicContact CD2-CD1 4.1Å; F389-L400 HydrophobicContact CG-CD1 3.48Å; F389-L400 VanDerWaalsContact CG-CD1 3.48Å; F389-L410 HydrophobicContact CE2-CD1 4.04Å; F389-L410 HydrophobicContact CZ-CD1 4.15Å; F389-L436 HydrophobicContact CD1-CD1 3.84Å; F389-L436 HydrophobicContact CD1-CD2 3.94Å; F389-L436 HydrophobicContact CD2-CD2 3.67Å; F389-L436 HydrophobicContact CE1-CD1 3.38Å; F389-L436 HydrophobicContact CE1-CD2 3.97Å; F389-L436 HydrophobicContact CE1-CG 4.3Å; F389-L436 HydrophobicContact CE2-CD1 4.46Å; F389-L436 HydrophobicContact CE2-CD2 3.71Å; F389-L436 HydrophobicContact CG-CD2 3.79Å; F389-L436 HydrophobicContact CZ-CD1 3.75Å; F389-L436 HydrophobicContact CZ-CD2 3.86Å; F389-L436 HydrophobicContact CZ-CG 4.33Å; F389-L439 HydrophobicContact CD2-CD1 4.5Å; F389-L439 HydrophobicContact CE2-CD1 4.45Å; F389-V442 HydrophobicContact CE2-CG2 4.07Å; F389-V442 HydrophobicContact CZ-CG1 4.19Å; F389-V442 HydrophobicContact CZ-CG2 4.48Å; F389-I577 HydrophobicContact CD1-CD1 4.39Å; F389-I577 HydrophobicContact CE1-CD1 3.45Å; F389-I577 VanDerWaalsContact CE1-CD1 3.45Å; F389-I577 HydrophobicContact CZ-CD1 3.67Å; F389-L608 HydrophobicContact CD1-CD1 4.21Å; F389-L608 HydrophobicContact CE1-CD1 4.36Å |
| 390 | E | 94.1 | Very high | 92.1 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -27.6 | -179.4 | -172.1 | 62.8 | -157.9 | 0 | 0 | 112.8 | L386 F393 V394 G395 C396 K397 | L386-E390 VanDerWaalsContact O-CB 3.28Å; L386-E390 WeakPolarHBondContact O-CB 3.35Å; L386-E390 PolarHBondContact O-N 2.85Å; E390-F393 CarbonylContact O-C 3.46Å; E390-V394 PolarHBondContact O-N 3.39Å; E390-G395 VanDerWaalsContact CD-N 3.33Å; E390-G395 PolarHBondContact OE1-N 3.07Å; E390-G395 PolarHBondContact OE2-N 2.91Å; E390-C396 PolarHBondContact OE2-N 2.9Å; E390-K397 WeakPolarHBondContact OE2-CB 3.13Å; E390-K397 PolarHBondContact OE2-N 3.38Å |
| 391 | K | 91.2 | Very high | 92.4 | Very high | 160 Ų | 160 | 57 Ų | 57 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.5 | -30.5 | 173.8 | -74.9 | 167.9 | -166.3 | 152.2 | 0 | 113.9 | D387 F389 | D387-K391 WeakPolarHBondContact O-CD 3.44Å; D387-K391 WeakPolarHBondContact O-CE 3.43Å; D387-K391 WeakPolarHBondContact O-CG 3.49Å; D387-K391 PolarHBondContact O-NZ 3.14Å; F389-K391 PolarHBondContact O-N 2.9Å |
| 392 | E | 91.2 | Very high | 92.4 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -90.5 | -29 | 176.3 | -64.3 | -69.4 | 143.2 | 0 | 0 | 111.5 | F389 S432 R435 | F389-E392 PolarHBondContact O-N 2.86Å; E392-S432 VanDerWaalsContact OE2-CA 3.25Å; E392-S432 WeakPolarHBondContact OE2-CA 3.38Å; E392-S432 WeakPolarHBondContact OE2-CB 3.48Å; E392-S432 PolarHBondContact OE2-OG 3.07Å; E392-R435 WeakPolarHBondContact OE1-CD 3.33Å; E392-R435 IonicContact OE1-CZ 2.57Å; E392-R435 IonicContact OE1-NE 3.23Å; E392-R435 IonicContact OE1-NH1 2.65Å; E392-R435 PolarHBondContact OE1-NH1 3.36Å; E392-R435 IonicContact OE2-NH1 3.79Å |
| 393 | F | 93.5 | Very high | 92.4 | Very high | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.075 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -141 | 84.7 | -172.8 | -55.6 | -69.1 | 0 | 0 | 0 | 110.5 | F389 E390 G395 C396 L436 L579 L608 T609 | F389-F393 HydrophobicContact CD1-CD2 4.31Å; F389-F393 PolarHBondContact O-N 3.17Å; E390-F393 CarbonylContact O-C 3.46Å; F393-G395 PolarHBondContact O-N 3.15Å; F393-C396 HydrophobicContact CB-CB 4.26Å; F393-C396 WeakPolarHBondContact O-CB 3.39Å; F393-C396 PolarHBondContact O-N 3.4Å; F393-C396 PolarHBondContact O-SG 2.99Å; F393-L436 HydrophobicContact CE2-CD1 3.91Å; F393-L579 HydrophobicContact CD1-CD1 4.45Å; F393-L579 HydrophobicContact CE1-CD1 3.5Å; F393-L579 HydrophobicContact CE1-CD2 4.49Å; F393-L579 HydrophobicContact CZ-CD1 3.74Å; F393-L579 HydrophobicContact CZ-CD2 3.98Å; F393-L608 HydrophobicContact CB-CD1 4.23Å; F393-L608 HydrophobicContact CB-CD2 4.38Å; F393-L608 HydrophobicContact CD1-CB 4.16Å; F393-L608 HydrophobicContact CD2-CD1 3.71Å; F393-L608 HydrophobicContact CE1-CB 4.47Å; F393-L608 HydrophobicContact CE2-CD1 4.2Å; F393-L608 HydrophobicContact CG-CB 4.31Å; F393-L608 HydrophobicContact CG-CD1 3.89Å; F393-T609 WeakPolarHBondContact CD1-O 3.39Å; F393-T609 WeakPolarHBondContact CE1-O 3.21Å |
| 394 | V | 89.2 | Confident | 92.5 | Very high | 133 Ų | 133 | 53.3 Ų | 53.3 | 81% | 0.806 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 135.6 | -179.1 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | E390 | E390-V394 PolarHBondContact O-N 3.39Š|
| 395 | G | 89.6 | Confident | 92.3 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 55% | 0.546 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 8.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E390 F393 | E390-G395 VanDerWaalsContact CD-N 3.33Å; E390-G395 PolarHBondContact OE1-N 3.07Å; E390-G395 PolarHBondContact OE2-N 2.91Å; F393-G395 PolarHBondContact O-N 3.15Å |
| 396 | C | 92.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | trans | -90.4 | -19.2 | -176.4 | 73.7 | 0 | 0 | 0 | 0 | 114.5 | E390 F393 S398 L399 L400 L608 | E390-C396 PolarHBondContact OE2-N 2.9Å; F393-C396 HydrophobicContact CB-CB 4.26Å; F393-C396 WeakPolarHBondContact O-CB 3.39Å; F393-C396 PolarHBondContact O-N 3.4Å; F393-C396 PolarHBondContact O-SG 2.99Å; C396-S398 PolarHBondContact O-N 2.94Å; C396-L399 PolarHBondContact O-N 3.46Å; C396-L399 VanDerWaalsContact O-N 3.09Å; C396-L400 HydrophobicContact CB-CD1 4.19Å; C396-L400 PolarHBondContact O-N 3.2Å; C396-L400 VanDerWaalsContact O-N 3.08Å; C396-L400 WeakPolarHBondContact SG-CD1 3.02Å; C396-L608 HydrophobicContact CB-CD2 3.66Å | ||
| 397 | K | 92 | Very high | 91.9 | Very high | 62 Ų | 62 | 62.2 Ų | 62.2 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -50.1 | -48.1 | -170.6 | -177.5 | 154.2 | -173.3 | 170.7 | 0 | 114.3 | L386 D387 E390 L399 L400 E401 | L386-K397 HydrophobicContact CB-CD 4.2Å; L386-K397 HydrophobicContact CB-CG 4.22Å; L386-K397 HydrophobicContact CD2-CG 4.26Å; D387-K397 IonicContact OD1-NZ 3.31Å; D387-K397 PolarHBondContact OD1-NZ 3.03Å; E390-K397 WeakPolarHBondContact OE2-CB 3.13Å; E390-K397 PolarHBondContact OE2-N 3.38Å; K397-L399 PolarHBondContact O-N 3.49Å; K397-L400 PolarHBondContact O-N 2.95Å; K397-E401 VanDerWaalsContact CE-OE1 3.24Å; K397-E401 WeakPolarHBondContact CE-OE1 3.46Å; K397-E401 VanDerWaalsContact CG-OE1 3.28Å; K397-E401 WeakPolarHBondContact CG-OE1 3.16Å; K397-E401 WeakPolarHBondContact O-CG 2.92Å; K397-E401 PolarHBondContact O-N 2.94Å |
| 398 | S | 90.8 | Very high | 91.9 | Very high | 80 Ų | 80 | 63.1 Ų | 63.1 | 56% | 0.559 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.8 | -33.4 | -178.8 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | C396 K402 | C396-S398 PolarHBondContact O-N 2.94Å; S398-K402 PolarHBondContact O-N 2.97Å |
| 399 | L | 90.4 | Very high | 92 | Very high | 86 Ų | 86 | 63.1 Ų | 63.1 | 45% | 0.45 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69 | -39.9 | 174.6 | -62.3 | 174.9 | 0 | 0 | 0 | 110.7 | C396 K397 R403 I606 | C396-L399 PolarHBondContact O-N 3.46Å; C396-L399 VanDerWaalsContact O-N 3.09Å; K397-L399 PolarHBondContact O-N 3.49Å; L399-R403 PolarHBondContact O-N 2.84Å; L399-I606 HydrophobicContact CB-CD1 4.24Å; L399-I606 HydrophobicContact CB-CG1 4.43Å; L399-I606 HydrophobicContact CB-CG2 4.25Å; L399-I606 HydrophobicContact CD1-CG2 4.34Å; L399-I606 WeakPolarHBondContact O-CD1 3.35Å |
| 400 | L | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.5 | -42.6 | 177.4 | -68.7 | 170.2 | 0 | 0 | 0 | 111.9 | L386 F389 C396 K397 K402 R403 L404 L410 I577 I606 | L386-L400 HydrophobicContact CD2-CB 3.41Å; L386-L400 VanDerWaalsContact CD2-CB 3.41Å; L386-L400 HydrophobicContact CD2-CD1 4.27Å; F389-L400 HydrophobicContact CB-CD1 3.34Å; F389-L400 HydrophobicContact CD1-CD1 3.75Å; F389-L400 HydrophobicContact CD1-CD2 4.46Å; F389-L400 HydrophobicContact CD2-CD1 4.1Å; F389-L400 HydrophobicContact CG-CD1 3.48Å; F389-L400 VanDerWaalsContact CG-CD1 3.48Å; C396-L400 HydrophobicContact CB-CD1 4.19Å; C396-L400 PolarHBondContact O-N 3.2Å; C396-L400 VanDerWaalsContact O-N 3.08Å; C396-L400 WeakPolarHBondContact SG-CD1 3.02Å; K397-L400 PolarHBondContact O-N 2.95Å; L400-K402 VanDerWaalsContact C-N 3.31Å; L400-K402 PolarHBondContact O-N 3.21Å; L400-R403 CarbonylContact O-C 3.49Å; L400-R403 WeakPolarHBondContact O-CA 3.24Å; L400-R403 PolarHBondContact O-N 3.35Å; L400-L404 WeakPolarHBondContact O-CB 2.85Å; L400-L404 VanDerWaalsContact O-CG 3.28Å; L400-L404 WeakPolarHBondContact O-CG 3.42Å; L400-L404 PolarHBondContact O-N 3.21Å; L400-L410 HydrophobicContact CD2-CD1 4.4Å; L400-I577 HydrophobicContact CD2-CD1 3.58Å; L400-I577 HydrophobicContact CD2-CG1 4.35Å; L400-I606 HydrophobicContact CD2-CD1 3.8Å; L400-I606 HydrophobicContact CG-CD1 4.38Å |
| 401 | E | 93.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 61.3 Ų | 61.3 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -53.9 | -45.9 | 174.2 | -75.7 | 165.2 | 178.8 | 0 | 0 | 111.5 | L386 K397 R403 L404 N405 | L386-E401 HydrophobicContact CD1-CG 3.5Å; L386-E401 HydrophobicContact CD2-CG 3.94Å; L386-E401 HydrophobicContact CG-CG 4.38Å; K397-E401 VanDerWaalsContact CE-OE1 3.24Å; K397-E401 WeakPolarHBondContact CE-OE1 3.46Å; K397-E401 VanDerWaalsContact CG-OE1 3.28Å; K397-E401 WeakPolarHBondContact CG-OE1 3.16Å; K397-E401 WeakPolarHBondContact O-CG 2.92Å; K397-E401 PolarHBondContact O-N 2.94Å; E401-R403 VanDerWaalsContact C-N 3.28Å; E401-R403 PolarHBondContact O-N 2.98Å; E401-L404 PolarHBondContact O-N 3.19Å; E401-N405 PolarHBondContact O-N 3.15Å; E401-N405 PolarHBondContact O-ND2 2.7Å; E401-N405 VanDerWaalsContact O-ND2 3.16Å |
| 402 | K | 90.9 | Very high | 92.4 | Very high | 116 Ų | 116 | 53.8 Ų | 53.8 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.2 | -37 | 173.9 | -175.6 | -171.1 | 175.1 | -165.6 | 0 | 112.8 | S398 L400 E604 | S398-K402 PolarHBondContact O-N 2.97Å; L400-K402 VanDerWaalsContact C-N 3.31Å; L400-K402 PolarHBondContact O-N 3.21Å; K402-E604 IonicContact NZ-OE2 2.68Å; K402-E604 PolarHBondContact NZ-OE2 3.21Å; K402-E604 VanDerWaalsContact NZ-OE2 3.11Å |
| 403 | R | 92.2 | Very high | 92.7 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -81.3 | -38 | -179.3 | 175.8 | 61.8 | 60.1 | -145.3 | -10.1 | 112.8 | L399 L400 E401 N405 Q406 T407 L410 D576 E604 I606 | L399-R403 PolarHBondContact O-N 2.84Å; L400-R403 CarbonylContact O-C 3.49Å; L400-R403 WeakPolarHBondContact O-CA 3.24Å; L400-R403 PolarHBondContact O-N 3.35Å; E401-R403 VanDerWaalsContact C-N 3.28Å; E401-R403 PolarHBondContact O-N 2.98Å; R403-N405 PolarHBondContact O-N 2.97Å; R403-Q406 WeakPolarHBondContact O-CA 3.29Å; R403-Q406 WeakPolarHBondContact O-CB 3.37Å; R403-Q406 PolarHBondContact O-N 2.9Å; R403-T407 HydrophobicContact CG-CG2 4.18Å; R403-T407 PolarHBondContact O-N 3.25Å; R403-T407 VanDerWaalsContact O-N 3.11Å; R403-L410 HydrophobicContact CG-CD2 3.63Å; R403-D576 WeakPolarHBondContact CD-OD1 3.25Å; R403-D576 HydrophobicContact CG-CB 4.49Å; R403-E604 PolarHBondContact NH2-O 3.3Å; R403-I606 HydrophobicContact CB-CD1 3.7Å; R403-I606 HydrophobicContact CG-CD1 4.06Å |
| 404 | L | 92.9 | Very high | 93 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -24.7 | 177.7 | -69.8 | 172.7 | 0 | 0 | 0 | 113 | I379 Q382 L385 L386 L400 E401 Q406 T407 L410 | I379-L404 HydrophobicContact CD1-CD2 3.46Å; I379-L404 VanDerWaalsContact CD1-CD2 3.46Å; Q382-L404 HydrophobicContact CB-CD1 4.35Å; Q382-L404 HydrophobicContact CG-CD1 4.26Å; L385-L404 HydrophobicContact CD2-CD1 3.97Å; L385-L404 HydrophobicContact CD2-CD2 4.23Å; L386-L404 HydrophobicContact CD1-CD1 4.16Å; L386-L404 HydrophobicContact CD2-CD1 3.67Å; L386-L404 HydrophobicContact CG-CD1 3.82Å; L400-L404 WeakPolarHBondContact O-CB 2.85Å; L400-L404 VanDerWaalsContact O-CG 3.28Å; L400-L404 WeakPolarHBondContact O-CG 3.42Å; L400-L404 PolarHBondContact O-N 3.21Å; E401-L404 PolarHBondContact O-N 3.19Å; L404-Q406 PolarHBondContact O-N 3.13Å; L404-T407 VanDerWaalsContact O-O 3.13Å; L404-L410 HydrophobicContact CD2-CD1 4.03Å; L404-L410 HydrophobicContact CD2-CD2 4.49Å; L404-L410 HydrophobicContact CD2-CG 4.31Å |
| 405 | N | 89.8 | Confident | 93.3 | Very high | 133 Ų | 133 | 45.4 Ų | 45.4 | 71% | 0.711 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -13.6 | 168 | -70.4 | -32.3 | 0 | 0 | 0 | 113.6 | E401 R403 | E401-N405 PolarHBondContact O-N 3.15Å; E401-N405 PolarHBondContact O-ND2 2.7Å; E401-N405 VanDerWaalsContact O-ND2 3.16Å; R403-N405 PolarHBondContact O-N 2.97Å |
| 406 | Q | 88.7 | Confident | 93.6 | Very high | 132 Ų | 132 | 43.6 Ų | 43.6 | 62% | 0.617 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -22.9 | -178.4 | -58.7 | -175.3 | -15.7 | 0 | 0 | 113.1 | R403 L404 | R403-Q406 WeakPolarHBondContact O-CA 3.29Å; R403-Q406 WeakPolarHBondContact O-CB 3.37Å; R403-Q406 PolarHBondContact O-N 2.9Å; L404-Q406 PolarHBondContact O-N 3.13Å |
| 407 | T | 91.4 | Very high | 93.7 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | trans | -145.7 | 145 | -179.2 | -180 | 0 | 0 | 0 | 0 | 113 | R403 L404 R409 L410 | R403-T407 HydrophobicContact CG-CG2 4.18Å; R403-T407 PolarHBondContact O-N 3.25Å; R403-T407 VanDerWaalsContact O-N 3.11Å; L404-T407 VanDerWaalsContact O-O 3.13Å; T407-R409 WeakPolarHBondContact CG2-O 3.24Å; T407-R409 PolarHBondContact OG1-N 3.27Å; T407-R409 PolarHBondContact OG1-O 3.44Å; T407-L410 HydrophobicContact CG2-CD2 3.99Å | ||
| 408 | N | 93.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 41% | 0.406 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -97.5 | 13 | 174.5 | 57.4 | 51.3 | 0 | 0 | 0 | 113.6 | K378 I379 | K378-N408 HydrophobicContact CB-CB 4.48Å; I379-N408 WeakPolarHBondContact CB-O 3.44Å; I379-N408 VanDerWaalsContact CG1-O 3.29Å; I379-N408 WeakPolarHBondContact CG1-O 3.26Å; I379-N408 PolarHBondContact N-O 3.24Å |
| 409 | R | 95.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 41 Ų | 41 | 13% | 0.125 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -149.1 | 152 | 173.2 | -64.5 | 179.5 | -178.5 | 131.9 | -8.6 | 110 | F373 N374 M376 T407 G441 | F373-R409 HydrophobicContact CE1-CB 4.18Å; F373-R409 HydrophobicContact CE2-CB 3.63Å; F373-R409 HydrophobicContact CZ-CB 3.42Å; F373-R409 VanDerWaalsContact CZ-CB 3.42Å; F373-R409 HydrophobicContact CZ-CG 4.49Å; F373-R409 WeakPolarHBondContact O-CD 3.45Å; F373-R409 PolarHBondContact O-NE 3.05Å; N374-R409 PolarHBondContact O-NH1 3.31Å; N374-R409 PolarHBondContact O-NH2 3.14Å; M376-R409 HydrophobicContact CE-CB 3.9Å; M376-R409 HydrophobicContact CE-CG 3.94Å; M376-R409 PolarHBondContact O-NE 3.15Å; M376-R409 PolarHBondContact O-NH2 2.9Å; T407-R409 WeakPolarHBondContact CG2-O 3.24Å; T407-R409 PolarHBondContact OG1-N 3.27Å; T407-R409 PolarHBondContact OG1-O 3.44Å; R409-G441 CarbonylContact C-O 3.55Å; R409-G441 VanDerWaalsContact CA-O 3.23Å; R409-G441 WeakPolarHBondContact CA-O 3.39Å |
| 410 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.9 | -178.4 | -65.7 | 171.5 | 0 | 0 | 0 | 111.7 | I379 L385 F389 L400 R403 L404 T407 G441 Y443 D576 I577 | I379-L410 HydrophobicContact CD1-CD1 4.34Å; I379-L410 HydrophobicContact CD1-CG 4.13Å; L385-L410 HydrophobicContact CD1-CD1 4.4Å; L385-L410 HydrophobicContact CD2-CD1 4.03Å; F389-L410 HydrophobicContact CE2-CD1 4.04Å; F389-L410 HydrophobicContact CZ-CD1 4.15Å; L400-L410 HydrophobicContact CD2-CD1 4.4Å; R403-L410 HydrophobicContact CG-CD2 3.63Å; L404-L410 HydrophobicContact CD2-CD1 4.03Å; L404-L410 HydrophobicContact CD2-CD2 4.49Å; L404-L410 HydrophobicContact CD2-CG 4.31Å; T407-L410 HydrophobicContact CG2-CD2 3.99Å; L410-G441 PolarHBondContact N-O 2.96Å; L410-Y443 PolarHBondContact O-N 3.16Å; L410-D576 WeakPolarHBondContact CA-OD2 3.36Å; L410-D576 HydrophobicContact CD2-CB 3.85Å; L410-I577 HydrophobicContact CD1-CD1 4.26Å |
| 411 | R | 96.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.4 | 170.1 | -60.6 | -172 | -175.3 | -168.1 | 0.4 | 111.1 | D370 F373 Y443 L573 S574 D576 I577 | D370-R411 IonicContact OD1-CZ 3.56Å; D370-R411 IonicContact OD1-NH1 2.74Å; D370-R411 PolarHBondContact OD1-NH1 3.24Å; D370-R411 IonicContact OD1-NH2 3.65Å; D370-R411 PolarHBondContact OD1-NH2 2.98Å; F373-R411 HydrophobicContact CD2-CG 3.54Å; F373-R411 HydrophobicContact CE2-CG 3.26Å; F373-R411 HydrophobicContact CG-CG 4.35Å; F373-R411 HydrophobicContact CZ-CG 3.86Å; R411-Y443 WeakPolarHBondContact CA-O 3.33Å; R411-L573 WeakPolarHBondContact CD-O 3.46Å; R411-L573 PolarHBondContact NH1-O 3.17Å; R411-S574 WeakPolarHBondContact CD-O 3.45Å; R411-D576 PolarHBondContact N-OD2 2.9Å; R411-D576 PolarHBondContact O-N 3.14Å; R411-I577 PolarHBondContact O-N 2.67Å |
| 412 | C | 97.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.2 | 173.5 | -58.7 | 0 | 0 | 0 | 0 | 109.9 | L433 Y443 I444 I445 | C412-L433 HydrophobicContact CB-CD2 3.77Å; C412-Y443 PolarHBondContact N-O 2.8Å; C412-I444 HydrophobicContact CB-CD1 3.76Å; C412-I445 PolarHBondContact O-N 2.65Å |
| 413 | L | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.6 | -178.6 | 174.8 | 60.2 | 0 | 0 | 0 | 111.4 | I445 L447 L573 A575 I577 R578 L579 | L413-I445 WeakPolarHBondContact CA-O 3.39Å; L413-I445 HydrophobicContact CD1-CB 3.89Å; L413-I445 HydrophobicContact CD1-CG2 3.72Å; L413-L447 HydrophobicContact CD1-CB 4.16Å; L413-L573 HydrophobicContact CD1-CD1 3.62Å; L413-L573 HydrophobicContact CD2-CB 4.06Å; L413-L573 HydrophobicContact CD2-CD1 3.81Å; L413-L573 HydrophobicContact CG-CD1 4.4Å; L413-A575 HydrophobicContact CB-CB 3.51Å; L413-A575 HydrophobicContact CD2-CB 3.69Å; L413-A575 HydrophobicContact CG-CB 4.26Å; L413-I577 PolarHBondContact N-O 2.85Å; L413-R578 WeakPolarHBondContact O-CA 3.31Å; L413-L579 PolarHBondContact O-N 3.44Å |
| 414 | W | 98 | Very high | 93.7 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 3% | 0.034 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151.8 | 169.6 | 179.4 | 78.5 | 0 | 0 | 0 | 110 | V416 H426 P429 M430 L433 I445 V446 L447 L475 L579 H610 | W414-V416 HydrophobicContact CH2-CB 4.11Å; W414-V416 HydrophobicContact CH2-CG2 4.48Å; W414-V416 HydrophobicContact CZ3-CB 4.27Å; W414-V416 HydrophobicContact CZ3-CG1 4.43Å; W414-H426 HydrophobicContact CH2-CB 4.24Å; W414-H426 AromaticContact CH2-CD2 3.72Å; W414-H426 AromaticContact CZ2-CD2 3.98Å; W414-P429 HydrophobicContact CD2-CB 4.37Å; W414-P429 HydrophobicContact CD2-CG 4.42Å; W414-P429 HydrophobicContact CG-CB 4.48Å; W414-P429 HydrophobicContact CH2-CG 4.26Å; W414-P429 HydrophobicContact CZ2-CB 4.26Å; W414-P429 HydrophobicContact CZ2-CG 3.45Å; W414-P429 VanDerWaalsContact CZ2-CG 3.45Å; W414-M430 HydrophobicContact CD2-CE 4.21Å; W414-M430 HydrophobicContact CE3-CE 3.42Å; W414-M430 VanDerWaalsContact CE3-CE 3.42Å; W414-M430 HydrophobicContact CE3-SD 4.45Å; W414-M430 HydrophobicContact CH2-CE 4.47Å; W414-M430 HydrophobicContact CZ3-CE 3.57Å; W414-M430 HydrophobicContact CZ3-CG 4.36Å; W414-M430 HydrophobicContact CZ3-SD 4.02Å; W414-L433 HydrophobicContact CB-CD1 3.67Å; W414-L433 HydrophobicContact CG-CD1 4.14Å; W414-I445 PolarHBondContact N-O 3.2Å; W414-V446 HydrophobicContact CE3-CG1 3.87Å; W414-V446 HydrophobicContact CE3-CG2 4.34Å; W414-V446 HydrophobicContact CZ3-CG1 4Å; W414-V446 WeakPolarHBondContact O-CA 3.44Å; W414-L447 PolarHBondContact O-N 3.16Å; W414-L475 HydrophobicContact CH2-CD2 4.43Å; W414-L475 HydrophobicContact CZ3-CD1 4.34Å; W414-L475 HydrophobicContact CZ3-CD2 4.39Å; W414-L579 HydrophobicContact CB-CB 4.28Å; W414-L579 VanDerWaalsContact CD1-O 3.31Å; W414-H610 AromaticContact CD1-NE2 3.94Å; W414-H610 AromaticContact NE1-CD2 3.86Å; W414-H610 AromaticContact NE1-NE2 3.21Å; W414-H610 PolarHBondContact NE1-NE2 3.47Å |
| 415 | S | 97 | Very high | 93.8 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137.8 | -171.8 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | L447 R578 R588 | S415-L447 CarbonylContact C-O 3.55Å; S415-L447 VanDerWaalsContact CA-O 3.31Å; S415-L447 WeakPolarHBondContact CA-O 3.34Å; S415-R578 PolarHBondContact OG-NH1 3.46Å; S415-R588 PolarHBondContact OG-NH2 2.7Å |
| 416 | V | 95.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 22.1 Ų | 22.1 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.8 | -179.1 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | W414 L447 V448 N449 L475 | W414-V416 HydrophobicContact CH2-CB 4.11Å; W414-V416 HydrophobicContact CH2-CG2 4.48Å; W414-V416 HydrophobicContact CZ3-CB 4.27Å; W414-V416 HydrophobicContact CZ3-CG1 4.43Å; V416-L447 PolarHBondContact N-O 3.02Å; V416-V448 HydrophobicContact CG1-CB 4.48Å; V416-V448 HydrophobicContact CG1-CG2 4.1Å; V416-V448 CarbonylContact O-C 3.58Å; V416-N449 PolarHBondContact O-N 3.1Å; V416-L475 HydrophobicContact CG1-CD1 3.66Å |
| 417 | T | 94.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 15.9 Ų | 15.9 | 22% | 0.215 | 9% | 0.087 | C | C | . | . | trans | -103.3 | 115.7 | 175.8 | -50.2 | 0 | 0 | 0 | 0 | 108.7 | I419 A453 | T417-I419 HydrophobicContact CG2-CD1 4.27Å; T417-I419 HydrophobicContact CG2-CG1 3.94Å; T417-I419 PolarHBondContact O-N 3.16Å; T417-A453 HydrophobicContact CG2-CB 3.58Å | ||
| 418 | P | 93.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.019 | 8% | 0.078 | C | C | . | . | trans | -78 | 56.2 | -170.1 | 34.1 | -40.7 | 0 | 0 | 0 | 113.9 | V448 N450 A453 R467 C471 | P418-V448 HydrophobicContact CB-CG1 4.04Å; P418-V448 HydrophobicContact CG-CG1 3.78Å; P418-N450 HydrophobicContact CG-CB 3.97Å; P418-A453 HydrophobicContact CG-CB 4.16Å; P418-R467 HydrophobicContact CB-CG 4.22Å; P418-R467 WeakPolarHBondContact O-CG 3.41Å; P418-R467 PolarHBondContact O-NE 3.36Å; P418-C471 HydrophobicContact CB-CB 3.86Å | ||
| 419 | I | 86.8 | Confident | 94.9 | Very high | 53 Ų | 53 | 11 Ų | 11 | 27% | 0.272 | 6% | 0.059 | S | C | . | . | S | Bend | trans | -63.4 | -44.3 | -179.9 | -65.9 | 173.7 | 0 | 0 | 0 | 111.1 | T417 R467 | T417-I419 HydrophobicContact CG2-CD1 4.27Å; T417-I419 HydrophobicContact CG2-CG1 3.94Å; T417-I419 PolarHBondContact O-N 3.16Å; I419-R467 PolarHBondContact O-NE 3.46Å; I419-R467 PolarHBondContact O-NH2 3.43Å |
| 420 | G | 86.6 | Confident | 95 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 4% | 0.041 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -140.9 | -162.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C635 | G420-C635 VanDerWaalsContact CA-O 3.27Å; G420-C635 WeakPolarHBondContact CA-O 3.33Å |
| 421 | L | 91.9 | Very high | 95 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -68.8 | 135.3 | 177.5 | -63.9 | 176.6 | 0 | 0 | 0 | 111.7 | H423 F470 S634 C635 L637 P660 E663 L790 F794 | L421-H423 PolarHBondContact O-N 3.18Å; L421-F470 HydrophobicContact CD2-CE1 3.59Å; L421-F470 HydrophobicContact CD2-CZ 3.9Å; L421-S634 WeakPolarHBondContact O-CB 3.34Å; L421-S634 PolarHBondContact O-OG 2.9Å; L421-C635 PolarHBondContact N-O 2.83Å; L421-C635 VanDerWaalsContact N-O 3.14Å; L421-L637 HydrophobicContact CD1-CD1 4.2Å; L421-L637 HydrophobicContact CD1-CD2 3.78Å; L421-L637 HydrophobicContact CD1-CG 3.8Å; L421-L637 HydrophobicContact CD2-CD1 4.44Å; L421-L637 HydrophobicContact CG-CG 4.37Å; L421-P660 HydrophobicContact CB-CB 4.22Å; L421-P660 HydrophobicContact CD1-CB 4.14Å; L421-E663 HydrophobicContact CD1-CB 3.72Å; L421-L790 HydrophobicContact CD2-CD1 4.27Å; L421-F794 HydrophobicContact CD2-CD2 4.33Å; L421-F794 HydrophobicContact CD2-CE2 3.59Å; L421-F794 HydrophobicContact CD2-CZ 3.73Å; L421-F794 HydrophobicContact CG-CZ 4.23Å | ||
| 422 | P | 94.6 | Very high | 95 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 3% | 0.032 | 6% | 0.056 | C | C | . | . | trans | -58.8 | 125.3 | 171.7 | -25.1 | 35.7 | 0 | 0 | 0 | 111.7 | I474 L661 | P422-I474 HydrophobicContact CB-CG2 3.94Å; P422-I474 HydrophobicContact CG-CB 4.21Å; P422-I474 HydrophobicContact CG-CG2 4.08Å; P422-L661 HydrophobicContact CB-CD1 4.14Å; P422-L661 WeakPolarHBondContact O-CB 3.46Å; P422-L661 WeakPolarHBondContact O-CG 3.49Å; P422-L661 PolarHBondContact O-N 2.98Å | ||
| 423 | H | 94.4 | Very high | 95 | Very high | 10 Ų | 10 | 9.8 Ų | 9.8 | 5% | 0.046 | 6% | 0.056 | C | C | . | . | B | Isolated β-bridge | trans | -106.9 | 167.2 | -179.8 | 56.6 | 61.3 | 0 | 0 | 0 | 114.2 | L421 G425 H426 M632 K633 S634 Y658 L659 | L421-H423 PolarHBondContact O-N 3.18Å; H423-G425 PolarHBondContact ND1-N 3Å; H423-G425 PolarHBondContact O-N 3.09Å; H423-G425 VanDerWaalsContact O-N 3.09Å; H423-H426 AromaticContact CD2-CE1 3.71Å; H423-H426 AromaticContact CE1-CE1 3.33Å; H423-H426 PolarHBondContact CE1-CE1 3.48Å; H423-H426 AromaticContact CE1-ND1 3.66Å; H423-H426 AromaticContact CE1-NE2 3.88Å; H423-H426 AromaticContact CG-CE1 3.76Å; H423-H426 AromaticContact CG-ND1 3.83Å; H423-H426 PolarHBondContact N-CE1 3.04Å; H423-H426 PolarHBondContact N-ND1 3.41Å; H423-H426 VanDerWaalsContact N-ND1 3.13Å; H423-H426 AromaticContact ND1-CE1 3.53Å; H423-H426 AromaticContact ND1-ND1 3.44Å; H423-H426 PolarHBondContact ND1-ND1 3.05Å; H423-H426 AromaticContact NE2-CE1 3.43Å; H423-H426 PolarHBondContact NE2-CE1 2.9Å; H423-H426 PolarHBondContact O-N 3.3Å; H423-H426 PolarHBondContact O-ND1 3.05Å; H423-M632 HydrophobicContact CB-CG 4.5Å; H423-M632 HydrophobicContact CB-SD 3.96Å; H423-M632 PolarHBondContact NE2-O 3.46Å; H423-K633 VanDerWaalsContact CD2-C 3.45Å; H423-S634 PolarHBondContact CD2-N 3.32Å; H423-S634 VanDerWaalsContact CD2-N 3.32Å; H423-S634 PolarHBondContact CD2-OG 2.8Å; H423-S634 PolarHBondContact NE2-N 3.32Å; H423-S634 PolarHBondContact NE2-OG 3.23Å; H423-Y658 HydrophobicContact CB-CD2 4.05Å; H423-L659 CarbonylContact C-O 3.49Å; H423-L659 WeakPolarHBondContact CA-O 3.49Å; H423-L659 VanDerWaalsContact CB-O 3.25Å; H423-L659 WeakPolarHBondContact CB-O 3.16Å |
| 424 | L | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -48.4 | -38.9 | -178.2 | -171.5 | 65.4 | 0 | 0 | 0 | 113.7 | H426 S427 L613 L659 L661 L675 V704 L764 L772 | L424-H426 PolarHBondContact O-N 3.4Å; L424-S427 WeakPolarHBondContact O-CB 3.47Å; L424-S427 PolarHBondContact O-N 2.87Å; L424-S427 PolarHBondContact O-OG 2.89Å; L424-L613 HydrophobicContact CB-CD2 4.44Å; L424-L613 HydrophobicContact CD2-CD2 4.4Å; L424-L613 HydrophobicContact CG-CD2 4.47Å; L424-L659 HydrophobicContact CB-CB 3.87Å; L424-L659 HydrophobicContact CB-CD1 4.41Å; L424-L659 HydrophobicContact CD2-CB 4.49Å; L424-L659 HydrophobicContact CD2-CD1 3.54Å; L424-L659 PolarHBondContact N-O 3.2Å; L424-L661 HydrophobicContact CD1-CD2 4.35Å; L424-L675 HydrophobicContact CD1-CD1 4.45Å; L424-L675 HydrophobicContact CD1-CD2 4.37Å; L424-V704 HydrophobicContact CD1-CG1 3.99Å; L424-V704 HydrophobicContact CD2-CG1 4.14Å; L424-V704 HydrophobicContact CD2-CG2 4.09Å; L424-V704 HydrophobicContact CG-CG1 4.13Å; L424-V704 HydrophobicContact CG-CG2 4.1Å; L424-L764 HydrophobicContact CD1-CD2 4.33Å; L424-L764 HydrophobicContact CD2-CD1 3.88Å; L424-L764 HydrophobicContact CD2-CD2 4.17Å; L424-L772 HydrophobicContact CD1-CD2 3.92Å |
| 425 | G | 94.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 13.2 Ų | 13.2 | 8% | 0.082 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -53.7 | -20.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116 | H423 S427 | H423-G425 PolarHBondContact ND1-N 3Å; H423-G425 PolarHBondContact O-N 3.09Å; H423-G425 VanDerWaalsContact O-N 3.09Å; G425-S427 VanDerWaalsContact C-N 3.3Å; G425-S427 PolarHBondContact O-N 3.26Å |
| 426 | H | 96 | Very high | 94.8 | Very high | 19 Ų | 19 | 12.7 Ų | 12.7 | 9% | 0.088 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -73.2 | -18.8 | 173.3 | -57 | 100.1 | 0 | 0 | 0 | 113.3 | W414 H423 L424 I428 P429 M430 L475 L478 S634 | W414-H426 HydrophobicContact CH2-CB 4.24Å; W414-H426 AromaticContact CH2-CD2 3.72Å; W414-H426 AromaticContact CZ2-CD2 3.98Å; H423-H426 AromaticContact CD2-CE1 3.71Å; H423-H426 AromaticContact CE1-CE1 3.33Å; H423-H426 PolarHBondContact CE1-CE1 3.48Å; H423-H426 AromaticContact CE1-ND1 3.66Å; H423-H426 AromaticContact CE1-NE2 3.88Å; H423-H426 AromaticContact CG-CE1 3.76Å; H423-H426 AromaticContact CG-ND1 3.83Å; H423-H426 PolarHBondContact N-CE1 3.04Å; H423-H426 PolarHBondContact N-ND1 3.41Å; H423-H426 VanDerWaalsContact N-ND1 3.13Å; H423-H426 AromaticContact ND1-CE1 3.53Å; H423-H426 AromaticContact ND1-ND1 3.44Å; H423-H426 PolarHBondContact ND1-ND1 3.05Å; H423-H426 AromaticContact NE2-CE1 3.43Å; H423-H426 PolarHBondContact NE2-CE1 2.9Å; H423-H426 PolarHBondContact O-N 3.3Å; H423-H426 PolarHBondContact O-ND1 3.05Å; L424-H426 PolarHBondContact O-N 3.4Å; H426-I428 PolarHBondContact O-N 2.86Å; H426-P429 WeakPolarHBondContact O-CD 3.5Å; H426-M430 VanDerWaalsContact O-CB 3.31Å; H426-M430 WeakPolarHBondContact O-CB 3.29Å; H426-M430 WeakPolarHBondContact O-CG 3.49Å; H426-M430 PolarHBondContact O-N 3.04Å; H426-L475 HydrophobicContact CB-CD2 4.15Å; H426-L478 HydrophobicContact CB-CD2 4.27Å; H426-S634 PolarHBondContact CE1-OG 3.12Å |
| 427 | S | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.6 | -21.1 | 176.2 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | L424 G425 R431 | L424-S427 WeakPolarHBondContact O-CB 3.47Å; L424-S427 PolarHBondContact O-N 2.87Å; L424-S427 PolarHBondContact O-OG 2.89Å; G425-S427 VanDerWaalsContact C-N 3.3Å; G425-S427 PolarHBondContact O-N 3.26Å; S427-R431 WeakPolarHBondContact O-CB 3.4Å; S427-R431 PolarHBondContact O-N 3.38Å |
| 428 | I | 96.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 17 Ų | 17 | 4% | 0.036 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.5 | -67.8 | 177.8 | -61.3 | 167.3 | 0 | 0 | 0 | 110.2 | H426 M430 R431 S432 H610 P611 L613 W703 | H426-I428 PolarHBondContact O-N 2.86Å; I428-M430 VanDerWaalsContact C-N 3.32Å; I428-M430 PolarHBondContact O-N 3.01Å; I428-R431 PolarHBondContact O-N 3.23Å; I428-S432 PolarHBondContact O-N 3.08Å; I428-H610 HydrophobicContact CG2-CB 4.43Å; I428-P611 HydrophobicContact CG2-CG 3.98Å; I428-L613 HydrophobicContact CD1-CB 4.05Å; I428-W703 HydrophobicContact CD1-CB 3.75Å; I428-W703 HydrophobicContact CG1-CB 4.17Å |
| 429 | P | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.9 | -34.5 | 177.5 | 25.5 | -34.5 | 0 | 0 | 0 | 112.6 | W414 H426 R431 S432 L433 L579 H610 | W414-P429 HydrophobicContact CD2-CB 4.37Å; W414-P429 HydrophobicContact CD2-CG 4.42Å; W414-P429 HydrophobicContact CG-CB 4.48Å; W414-P429 HydrophobicContact CH2-CG 4.26Å; W414-P429 HydrophobicContact CZ2-CB 4.26Å; W414-P429 HydrophobicContact CZ2-CG 3.45Å; W414-P429 VanDerWaalsContact CZ2-CG 3.45Å; H426-P429 WeakPolarHBondContact O-CD 3.5Å; P429-R431 VanDerWaalsContact C-N 3.29Å; P429-R431 PolarHBondContact O-N 3.45Å; P429-S432 PolarHBondContact O-N 3.37Å; P429-L433 WeakPolarHBondContact O-CB 3.34Å; P429-L433 VanDerWaalsContact O-CG 3.26Å; P429-L433 WeakPolarHBondContact O-CG 3.17Å; P429-L433 PolarHBondContact O-N 3.27Å; P429-L579 HydrophobicContact CB-CD2 3.88Å; P429-H610 HydrophobicContact CB-CB 4.46Å |
| 430 | M | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.9 | -33.2 | 178.6 | -69.3 | -77.7 | 84.1 | 0 | 0 | 112.8 | W414 H426 I428 L433 A434 V446 L475 L478 L482 | W414-M430 HydrophobicContact CD2-CE 4.21Å; W414-M430 HydrophobicContact CE3-CE 3.42Å; W414-M430 VanDerWaalsContact CE3-CE 3.42Å; W414-M430 HydrophobicContact CE3-SD 4.45Å; W414-M430 HydrophobicContact CH2-CE 4.47Å; W414-M430 HydrophobicContact CZ3-CE 3.57Å; W414-M430 HydrophobicContact CZ3-CG 4.36Å; W414-M430 HydrophobicContact CZ3-SD 4.02Å; H426-M430 VanDerWaalsContact O-CB 3.31Å; H426-M430 WeakPolarHBondContact O-CB 3.29Å; H426-M430 WeakPolarHBondContact O-CG 3.49Å; H426-M430 PolarHBondContact O-N 3.04Å; I428-M430 VanDerWaalsContact C-N 3.32Å; I428-M430 PolarHBondContact O-N 3.01Å; M430-L433 HydrophobicContact CE-CD1 3.5Å; M430-A434 WeakPolarHBondContact O-CB 3.42Å; M430-A434 PolarHBondContact O-N 3.44Å; M430-V446 HydrophobicContact CE-CG2 3.61Å; M430-V446 HydrophobicContact SD-CG2 4.4Å; M430-L475 HydrophobicContact CG-CD2 4.38Å; M430-L475 HydrophobicContact SD-CD2 4.32Å; M430-L478 HydrophobicContact CB-CD2 4.15Å; M430-L478 HydrophobicContact CB-CG 4.22Å; M430-L478 HydrophobicContact CG-CD2 3.86Å; M430-L478 HydrophobicContact CG-CG 4.3Å; M430-L482 HydrophobicContact CB-CD1 3.76Å |
| 431 | R | 97.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 5% | 0.045 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.6 | -43.2 | 178.2 | -177.4 | 174.5 | 51.9 | -133.8 | -14.9 | 111.9 | S427 I428 P429 L433 A434 R435 L482 W703 V704 P707 D708 | S427-R431 WeakPolarHBondContact O-CB 3.4Å; S427-R431 PolarHBondContact O-N 3.38Å; I428-R431 PolarHBondContact O-N 3.23Å; P429-R431 VanDerWaalsContact C-N 3.29Å; P429-R431 PolarHBondContact O-N 3.45Å; R431-L433 VanDerWaalsContact C-N 3.35Å; R431-A434 PolarHBondContact O-N 3Å; R431-R435 WeakPolarHBondContact O-CG 3.5Å; R431-R435 PolarHBondContact O-N 2.9Å; R431-L482 HydrophobicContact CB-CD1 4.03Å; R431-L482 HydrophobicContact CB-CD2 3.99Å; R431-L482 HydrophobicContact CB-CG 4.44Å; R431-L482 HydrophobicContact CG-CD2 4.13Å; R431-W703 PolarHBondContact NH2-O 2.6Å; R431-V704 PolarHBondContact NH1-O 3Å; R431-P707 WeakPolarHBondContact CD-O 3.15Å; R431-P707 PolarHBondContact NE-O 3.4Å; R431-D708 IonicContact NH1-OD1 2.61Å |
| 432 | S | 96.2 | Very high | 95.9 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.9 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | E392 I428 P429 A434 R435 L436 | E392-S432 VanDerWaalsContact OE2-CA 3.25Å; E392-S432 WeakPolarHBondContact OE2-CA 3.38Å; E392-S432 WeakPolarHBondContact OE2-CB 3.48Å; E392-S432 PolarHBondContact OE2-OG 3.07Å; I428-S432 PolarHBondContact O-N 3.08Å; P429-S432 PolarHBondContact O-N 3.37Å; S432-A434 PolarHBondContact O-N 3.1Å; S432-R435 PolarHBondContact O-N 2.95Å; S432-L436 WeakPolarHBondContact O-CB 3.37Å; S432-L436 VanDerWaalsContact O-CG 3.3Å; S432-L436 WeakPolarHBondContact O-CG 3.46Å; S432-L436 PolarHBondContact O-N 2.86Å |
| 433 | L | 97.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 174.6 | -65.2 | 167.7 | 0 | 0 | 0 | 112.4 | C412 W414 P429 M430 R431 L436 S437 I444 F479 L579 | C412-L433 HydrophobicContact CB-CD2 3.77Å; W414-L433 HydrophobicContact CB-CD1 3.67Å; W414-L433 HydrophobicContact CG-CD1 4.14Å; P429-L433 WeakPolarHBondContact O-CB 3.34Å; P429-L433 VanDerWaalsContact O-CG 3.26Å; P429-L433 WeakPolarHBondContact O-CG 3.17Å; P429-L433 PolarHBondContact O-N 3.27Å; M430-L433 HydrophobicContact CE-CD1 3.5Å; R431-L433 VanDerWaalsContact C-N 3.35Å; L433-L436 PolarHBondContact O-N 3.17Å; L433-S437 WeakPolarHBondContact O-CB 3.48Å; L433-S437 PolarHBondContact O-N 3.3Å; L433-I444 HydrophobicContact CB-CD1 4.24Å; L433-I444 HydrophobicContact CB-CG1 4.46Å; L433-I444 HydrophobicContact CB-CG2 3.98Å; L433-I444 HydrophobicContact CD1-CG2 4.3Å; L433-I444 HydrophobicContact CD2-CD1 3.96Å; L433-I444 HydrophobicContact CD2-CG2 4.26Å; L433-I444 HydrophobicContact CG-CG2 4.41Å; L433-F479 HydrophobicContact CB-CE2 4.47Å; L433-L579 HydrophobicContact CD1-CD2 3.95Å; L433-L579 HydrophobicContact CD2-CD2 3.93Å; L433-L579 HydrophobicContact CG-CD2 3.82Å |
| 434 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M430 R431 S432 S437 F479 L482 | M430-A434 WeakPolarHBondContact O-CB 3.42Å; M430-A434 PolarHBondContact O-N 3.44Å; R431-A434 PolarHBondContact O-N 3Å; S432-A434 PolarHBondContact O-N 3.1Å; A434-S437 PolarHBondContact O-OG 3.28Å; A434-F479 VanDerWaalsContact CA-CE2 3.5Å; A434-F479 HydrophobicContact CB-CD2 3.96Å; A434-F479 HydrophobicContact CB-CE2 4.01Å; A434-L482 HydrophobicContact CB-CB 3.86Å |
| 435 | R | 96 | Very high | 96.4 | Very high | 82 Ų | 82 | 21.6 Ų | 21.6 | 31% | 0.309 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -64.4 | -51 | 172.9 | -74.4 | 173.8 | 172.3 | 166.1 | -0.3 | 111.6 | E392 R431 S432 S437 R438 P707 | E392-R435 WeakPolarHBondContact OE1-CD 3.33Å; E392-R435 IonicContact OE1-CZ 2.57Å; E392-R435 IonicContact OE1-NE 3.23Å; E392-R435 IonicContact OE1-NH1 2.65Å; E392-R435 PolarHBondContact OE1-NH1 3.36Å; E392-R435 IonicContact OE2-NH1 3.79Å; R431-R435 WeakPolarHBondContact O-CG 3.5Å; R431-R435 PolarHBondContact O-N 2.9Å; S432-R435 PolarHBondContact O-N 2.95Å; R435-S437 VanDerWaalsContact C-N 3.27Å; R435-S437 PolarHBondContact O-N 2.9Å; R435-R438 WeakPolarHBondContact O-CB 3.37Å; R435-R438 PolarHBondContact O-N 3.03Å; R435-R438 VanDerWaalsContact O-N 3.1Å; R435-P707 PolarHBondContact NH2-O 2.92Å |
| 436 | L | 96.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.5 | -36.1 | 179.1 | -71.9 | 179.2 | 0 | 0 | 0 | 112.6 | F389 F393 S432 L433 R438 L439 V442 I444 | F389-L436 HydrophobicContact CD1-CD1 3.84Å; F389-L436 HydrophobicContact CD1-CD2 3.94Å; F389-L436 HydrophobicContact CD2-CD2 3.67Å; F389-L436 HydrophobicContact CE1-CD1 3.38Å; F389-L436 HydrophobicContact CE1-CD2 3.97Å; F389-L436 HydrophobicContact CE1-CG 4.3Å; F389-L436 HydrophobicContact CE2-CD1 4.46Å; F389-L436 HydrophobicContact CE2-CD2 3.71Å; F389-L436 HydrophobicContact CG-CD2 3.79Å; F389-L436 HydrophobicContact CZ-CD1 3.75Å; F389-L436 HydrophobicContact CZ-CD2 3.86Å; F389-L436 HydrophobicContact CZ-CG 4.33Å; F393-L436 HydrophobicContact CE2-CD1 3.91Å; S432-L436 WeakPolarHBondContact O-CB 3.37Å; S432-L436 VanDerWaalsContact O-CG 3.3Å; S432-L436 WeakPolarHBondContact O-CG 3.46Å; S432-L436 PolarHBondContact O-N 2.86Å; L433-L436 PolarHBondContact O-N 3.17Å; L436-R438 PolarHBondContact O-N 3Å; L436-L439 HydrophobicContact CD2-CD1 3.75Å; L436-L439 WeakPolarHBondContact O-CB 3.43Å; L436-L439 WeakPolarHBondContact O-CG 3.39Å; L436-L439 PolarHBondContact O-N 2.71Å; L436-V442 HydrophobicContact CB-CG1 4.14Å; L436-I444 HydrophobicContact CB-CD1 4.45Å |
| 437 | S | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.4 | 176.9 | 77 | 0 | 0 | 0 | 0 | 115.1 | L433 A434 R435 F479 N485 Q488 | L433-S437 WeakPolarHBondContact O-CB 3.48Å; L433-S437 PolarHBondContact O-N 3.3Å; A434-S437 PolarHBondContact O-OG 3.28Å; R435-S437 VanDerWaalsContact C-N 3.27Å; R435-S437 PolarHBondContact O-N 2.9Å; S437-F479 WeakPolarHBondContact OG-CZ 3.49Å; S437-N485 WeakPolarHBondContact O-CB 3.18Å; S437-N485 PolarHBondContact O-ND2 2.94Å; S437-N485 VanDerWaalsContact O-ND2 3.17Å; S437-N485 PolarHBondContact OG-N 3.02Å; S437-Q488 PolarHBondContact O-NE2 2.77Å |
| 438 | R | 94.8 | Very high | 96.7 | Very high | 140 Ų | 140 | 20.3 Ų | 20.3 | 53% | 0.528 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -14.4 | 175 | -56 | 175.9 | -169.9 | 165 | 6.2 | 112.6 | R435 L436 L482 G483 | R435-R438 WeakPolarHBondContact O-CB 3.37Å; R435-R438 PolarHBondContact O-N 3.03Å; R435-R438 VanDerWaalsContact O-N 3.1Å; L436-R438 PolarHBondContact O-N 3Å; R438-L482 PolarHBondContact NH2-O 3.32Å; R438-G483 VanDerWaalsContact CZ-O 3.29Å; R438-G483 PolarHBondContact NE-O 3.13Å; R438-G483 PolarHBondContact NH2-O 3.05Å |
| 439 | L | 94.7 | Very high | 96.7 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 16% | 0.157 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -79 | 138.8 | 177.1 | -55.7 | 172.8 | 0 | 0 | 0 | 109.8 | I384 L385 F389 L436 G441 V442 Q488 | I384-L439 HydrophobicContact CG2-CD2 4.46Å; L385-L439 HydrophobicContact CG-CD1 4.25Å; F389-L439 HydrophobicContact CD2-CD1 4.5Å; F389-L439 HydrophobicContact CE2-CD1 4.45Å; L436-L439 HydrophobicContact CD2-CD1 3.75Å; L436-L439 WeakPolarHBondContact O-CB 3.43Å; L436-L439 WeakPolarHBondContact O-CG 3.39Å; L436-L439 PolarHBondContact O-N 2.71Å; L439-G441 PolarHBondContact O-N 3.23Å; L439-V442 HydrophobicContact CB-CB 4.37Å; L439-V442 HydrophobicContact CB-CG2 3.88Å; L439-V442 HydrophobicContact CD1-CG2 4.33Å; L439-V442 PolarHBondContact O-N 3.34Å; L439-Q488 PolarHBondContact O-NE2 2.91Å |
| 440 | Y | 93.5 | Very high | 96.7 | Very high | 142 Ų | 142 | 20.2 Ų | 20.2 | 56% | 0.557 | 8% | 0.082 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | 130.4 | 175 | -68.7 | -49.3 | 0 | 0 | 0 | 110.8 | P377 I379 T380 | P377-Y440 HydrophobicContact CB-CD1 3.66Å; P377-Y440 HydrophobicContact CB-CE1 4.43Å; P377-Y440 HydrophobicContact CB-CG 4.1Å; P377-Y440 HydrophobicContact CG-CD1 3.87Å; P377-Y440 HydrophobicContact CG-CE1 4.29Å; I379-Y440 WeakPolarHBondContact CA-O 3.12Å; I379-Y440 WeakPolarHBondContact CG1-O 3.32Å; T380-Y440 HydrophobicContact CG2-CD2 4.46Å |
| 441 | G | 94.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 9.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | M376 P377 R409 L410 L439 | M376-G441 VanDerWaalsContact CE-C 3.45Å; M376-G441 WeakPolarHBondContact CE-O 3.45Å; P377-G441 WeakPolarHBondContact O-CA 3.41Å; P377-G441 PolarHBondContact O-N 2.8Å; R409-G441 CarbonylContact C-O 3.55Å; R409-G441 VanDerWaalsContact CA-O 3.23Å; R409-G441 WeakPolarHBondContact CA-O 3.39Å; L410-G441 PolarHBondContact N-O 2.96Å; L439-G441 PolarHBondContact O-N 3.23Å |
| 442 | V | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.1 | 174 | -175 | 0 | 0 | 0 | 0 | 110.6 | L385 F389 L436 L439 I444 Q488 | L385-V442 HydrophobicContact CD1-CG2 3.6Å; L385-V442 HydrophobicContact CG-CG2 4.47Å; F389-V442 HydrophobicContact CE2-CG2 4.07Å; F389-V442 HydrophobicContact CZ-CG1 4.19Å; F389-V442 HydrophobicContact CZ-CG2 4.48Å; L436-V442 HydrophobicContact CB-CG1 4.14Å; L439-V442 HydrophobicContact CB-CB 4.37Å; L439-V442 HydrophobicContact CB-CG2 3.88Å; L439-V442 HydrophobicContact CD1-CG2 4.33Å; L439-V442 PolarHBondContact O-N 3.34Å; V442-I444 HydrophobicContact CG1-CD1 4.15Å; V442-Q488 WeakPolarHBondContact O-CB 3.28Å; V442-Q488 PolarHBondContact O-NE2 3.45Å |
| 443 | Y | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 135.1 | -179.7 | -160.5 | -85.7 | 0 | 0 | 0 | 111.1 | I369 R372 F373 M376 L410 R411 C412 I445 Q488 S490 | I369-Y443 HydrophobicContact CG2-CE1 4.19Å; R372-Y443 HydrophobicContact CB-CE2 3.98Å; R372-Y443 PolarHBondContact NE-OH 2.81Å; R372-Y443 PolarHBondContact NH1-OH 3.23Å; R372-Y443 PolarHBondContact NH2-OH 3.18Å; F373-Y443 HydrophobicContact CD2-CG 4.24Å; M376-Y443 HydrophobicContact CE-CD2 4.43Å; M376-Y443 HydrophobicContact SD-CD2 3.85Å; M376-Y443 HydrophobicContact SD-CG 4.33Å; L410-Y443 PolarHBondContact O-N 3.16Å; R411-Y443 WeakPolarHBondContact CA-O 3.33Å; C412-Y443 PolarHBondContact N-O 2.8Å; Y443-I445 HydrophobicContact CD1-CG1 3.87Å; Y443-I445 HydrophobicContact CE1-CG1 4Å; Y443-Q488 WeakPolarHBondContact CA-O 3.43Å; Y443-Q488 HydrophobicContact CD2-CB 4.35Å; Y443-S490 PolarHBondContact OH-OG 3.46Å |
| 444 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.9 | -178.3 | -51.4 | -52 | 0 | 0 | 0 | 110.4 | C412 L433 L436 V442 V446 F479 Q488 F489 S490 | C412-I444 HydrophobicContact CB-CD1 3.76Å; L433-I444 HydrophobicContact CB-CD1 4.24Å; L433-I444 HydrophobicContact CB-CG1 4.46Å; L433-I444 HydrophobicContact CB-CG2 3.98Å; L433-I444 HydrophobicContact CD1-CG2 4.3Å; L433-I444 HydrophobicContact CD2-CD1 3.96Å; L433-I444 HydrophobicContact CD2-CG2 4.26Å; L433-I444 HydrophobicContact CG-CG2 4.41Å; L436-I444 HydrophobicContact CB-CD1 4.45Å; V442-I444 HydrophobicContact CG1-CD1 4.15Å; I444-V446 HydrophobicContact CG2-CG2 4.24Å; I444-F479 HydrophobicContact CB-CE2 4.44Å; I444-F479 HydrophobicContact CG1-CE2 4.22Å; I444-F479 HydrophobicContact CG1-CZ 4.27Å; I444-F479 HydrophobicContact CG2-CE2 4.19Å; I444-Q488 PolarHBondContact N-O 2.79Å; I444-F489 HydrophobicContact CB-CD2 3.94Å; I444-F489 HydrophobicContact CG2-CD2 3.78Å; I444-F489 HydrophobicContact CG2-CE2 4.18Å; I444-F489 CarbonylContact O-C 3.55Å; I444-F489 WeakPolarHBondContact O-CA 3.4Å; I444-S490 PolarHBondContact O-N 3.41Å |
| 445 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.9 | 171.7 | -53.5 | 176.2 | 0 | 0 | 0 | 108.9 | I369 C412 L413 W414 Y443 S490 I492 L573 | I369-I445 HydrophobicContact CG2-CD1 3.93Å; C412-I445 PolarHBondContact O-N 2.65Å; L413-I445 WeakPolarHBondContact CA-O 3.39Å; L413-I445 HydrophobicContact CD1-CB 3.89Å; L413-I445 HydrophobicContact CD1-CG2 3.72Å; W414-I445 PolarHBondContact N-O 3.2Å; Y443-I445 HydrophobicContact CD1-CG1 3.87Å; Y443-I445 HydrophobicContact CE1-CG1 4Å; I445-S490 CarbonylContact C-O 3.54Å; I445-S490 WeakPolarHBondContact CA-O 3.32Å; I445-I492 HydrophobicContact CG2-CD1 4.47Å; I445-L573 HydrophobicContact CD1-CB 4.32Å; I445-L573 HydrophobicContact CG2-CD1 4.24Å; I445-L573 HydrophobicContact CG2-CD2 4.46Å |
| 446 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 111.6 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | W414 M430 I444 L475 F489 S490 C491 I492 | W414-V446 HydrophobicContact CE3-CG1 3.87Å; W414-V446 HydrophobicContact CE3-CG2 4.34Å; W414-V446 HydrophobicContact CZ3-CG1 4Å; W414-V446 WeakPolarHBondContact O-CA 3.44Å; M430-V446 HydrophobicContact CE-CG2 3.61Å; M430-V446 HydrophobicContact SD-CG2 4.4Å; I444-V446 HydrophobicContact CG2-CG2 4.24Å; V446-L475 HydrophobicContact CG1-CD1 4.41Å; V446-F489 HydrophobicContact CB-CE2 4.43Å; V446-F489 HydrophobicContact CG2-CE2 3.58Å; V446-F489 HydrophobicContact CG2-CZ 4.08Å; V446-S490 PolarHBondContact N-O 2.9Å; V446-C491 HydrophobicContact CB-CB 4.14Å; V446-C491 VanDerWaalsContact CG1-SG 3.59Å; V446-C491 WeakPolarHBondContact O-CA 3.48Å; V446-I492 PolarHBondContact O-N 2.68Å |
| 447 | L | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 110.4 | 179.1 | 177.1 | 59.3 | 0 | 0 | 0 | 111 | L413 W414 S415 V416 N449 I492 F497 D569 L573 | L413-L447 HydrophobicContact CD1-CB 4.16Å; W414-L447 PolarHBondContact O-N 3.16Å; S415-L447 CarbonylContact C-O 3.55Å; S415-L447 VanDerWaalsContact CA-O 3.31Å; S415-L447 WeakPolarHBondContact CA-O 3.34Å; V416-L447 PolarHBondContact N-O 3.02Å; L447-N449 HydrophobicContact CG-CB 4.26Å; L447-N449 PolarHBondContact O-N 2.85Å; L447-I492 HydrophobicContact CD1-CD1 4.47Å; L447-I492 HydrophobicContact CD1-CG1 4.21Å; L447-F497 HydrophobicContact CD1-CE1 3.61Å; L447-F497 HydrophobicContact CD1-CZ 3.88Å; L447-F497 HydrophobicContact CD2-CZ 4.25Å; L447-D569 HydrophobicContact CD2-CB 3.93Å; L447-D569 WeakPolarHBondContact CD2-OD2 3.15Å; L447-L573 HydrophobicContact CD2-CD1 4.17Å |
| 448 | V | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 89.8 | 169.1 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | V416 P418 N450 C471 R472 L475 I492 L493 G494 | V416-V448 HydrophobicContact CG1-CB 4.48Å; V416-V448 HydrophobicContact CG1-CG2 4.1Å; V416-V448 CarbonylContact O-C 3.58Å; P418-V448 HydrophobicContact CB-CG1 4.04Å; P418-V448 HydrophobicContact CG-CG1 3.78Å; V448-N450 VanDerWaalsContact C-N 3.26Å; V448-N450 PolarHBondContact O-N 3.47Å; V448-C471 HydrophobicContact CG1-CB 3.88Å; V448-R472 HydrophobicContact CG2-CB 4.39Å; V448-L475 HydrophobicContact CG2-CD1 4.41Å; V448-I492 PolarHBondContact N-O 2.82Å; V448-L493 HydrophobicContact CB-CD2 3.82Å; V448-L493 HydrophobicContact CG1-CD2 4.02Å; V448-L493 HydrophobicContact CG2-CD2 4.42Å; V448-L493 CarbonylContact O-C 3.57Å; V448-L493 WeakPolarHBondContact O-CA 3.32Å; V448-G494 PolarHBondContact O-N 2.84Å |
| 449 | N | 96.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | trans | -78.8 | 73.6 | -171.4 | -156 | -36.7 | 0 | 0 | 0 | 111.1 | V416 L447 S452 A453 D569 | V416-N449 PolarHBondContact O-N 3.1Å; L447-N449 HydrophobicContact CG-CB 4.26Å; L447-N449 PolarHBondContact O-N 2.85Å; N449-S452 PolarHBondContact ND2-OG 3.35Å; N449-S452 PolarHBondContact O-N 2.95Å; N449-S452 WeakPolarHBondContact OD1-CB 3.34Å; N449-S452 PolarHBondContact OD1-N 3.36Å; N449-S452 PolarHBondContact OD1-OG 2.96Å; N449-A453 PolarHBondContact O-N 2.75Å; N449-D569 PolarHBondContact ND2-OD2 3.37Å | ||
| 450 | N | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.4 | -31.3 | -175.2 | 62.5 | -19.8 | 0 | 0 | 0 | 113.5 | P418 V448 A453 H454 I464 G494 S495 | P418-N450 HydrophobicContact CG-CB 3.97Å; V448-N450 VanDerWaalsContact C-N 3.26Å; V448-N450 PolarHBondContact O-N 3.47Å; N450-A453 VanDerWaalsContact O-CB 3.29Å; N450-A453 WeakPolarHBondContact O-CB 3.28Å; N450-A453 PolarHBondContact O-N 3.26Å; N450-A453 VanDerWaalsContact O-N 3.12Å; N450-H454 PolarHBondContact O-N 2.96Å; N450-I464 HydrophobicContact CB-CB 4.32Å; N450-I464 WeakPolarHBondContact CB-O 3.43Å; N450-I464 PolarHBondContact ND2-O 3.12Å; N450-G494 PolarHBondContact OD1-N 2.77Å; N450-S495 PolarHBondContact ND2-OG 3.2Å; N450-S495 PolarHBondContact OD1-N 2.97Å |
| 451 | I | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 170 | -72.8 | 166.7 | 0 | 0 | 0 | 110.5 | Y131 A453 H454 L455 W461 I464 Q498 L499 | Y131-I451 HydrophobicContact CD1-CG2 3.68Å; Y131-I451 HydrophobicContact CD2-CD1 4.22Å; Y131-I451 HydrophobicContact CD2-CG2 4.04Å; Y131-I451 HydrophobicContact CE1-CG2 3.84Å; Y131-I451 HydrophobicContact CE2-CD1 4.05Å; Y131-I451 HydrophobicContact CE2-CG2 4.19Å; Y131-I451 HydrophobicContact CG-CG2 3.78Å; I451-A453 PolarHBondContact O-N 3.34Å; I451-H454 WeakPolarHBondContact O-CA 3.23Å; I451-H454 WeakPolarHBondContact O-CB 3.36Å; I451-H454 PolarHBondContact O-N 3.31Å; I451-L455 HydrophobicContact CG2-CD1 4.11Å; I451-L455 HydrophobicContact CG2-CG 4.33Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 3.39Å; I451-W461 HydrophobicContact CD1-CH2 4.5Å; I451-W461 HydrophobicContact CG1-CH2 4.23Å; I451-W461 HydrophobicContact CG1-CZ3 4.27Å; I451-I464 HydrophobicContact CG1-CD1 4.19Å; I451-Q498 HydrophobicContact CD1-CB 3.92Å; I451-L499 HydrophobicContact CD1-CD2 4.34Å; I451-L499 HydrophobicContact CD1-CG 4.08Å |
| 452 | S | 94.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -24.9 | 171 | -68.5 | 0 | 0 | 0 | 0 | 113.5 | N449 R456 | N449-S452 PolarHBondContact ND2-OG 3.35Å; N449-S452 PolarHBondContact O-N 2.95Å; N449-S452 WeakPolarHBondContact OD1-CB 3.34Å; N449-S452 PolarHBondContact OD1-N 3.36Å; N449-S452 PolarHBondContact OD1-OG 2.96Å; S452-R456 VanDerWaalsContact O-CG 3.24Å; S452-R456 WeakPolarHBondContact O-CG 3.36Å; S452-R456 PolarHBondContact O-N 3.03Å |
| 453 | A | 92.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.3 | -31 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T417 P418 N449 N450 I451 S458 V459 | T417-A453 HydrophobicContact CG2-CB 3.58Å; P418-A453 HydrophobicContact CG-CB 4.16Å; N449-A453 PolarHBondContact O-N 2.75Å; N450-A453 VanDerWaalsContact O-CB 3.29Å; N450-A453 WeakPolarHBondContact O-CB 3.28Å; N450-A453 PolarHBondContact O-N 3.26Å; N450-A453 VanDerWaalsContact O-N 3.12Å; I451-A453 PolarHBondContact O-N 3.34Å; A453-S458 WeakPolarHBondContact O-CA 3.2Å; A453-S458 WeakPolarHBondContact O-CB 3.23Å; A453-S458 PolarHBondContact O-N 2.92Å; A453-V459 HydrophobicContact CB-CB 4.18Å; A453-V459 HydrophobicContact CB-CG2 3.65Å; A453-V459 PolarHBondContact O-N 3.48Å |
| 454 | H | 94.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.4 | -45.8 | 172 | -173.4 | 61.7 | 0 | 0 | 0 | 112.5 | A135 N450 I451 R456 G457 V459 W461 I464 | A135-H454 WeakPolarHBondContact CB-NE2 3.47Å; N450-H454 PolarHBondContact O-N 2.96Å; I451-H454 WeakPolarHBondContact O-CA 3.23Å; I451-H454 WeakPolarHBondContact O-CB 3.36Å; I451-H454 PolarHBondContact O-N 3.31Å; H454-R456 PolarHBondContact O-N 3.27Å; H454-G457 WeakPolarHBondContact O-CA 3.31Å; H454-G457 PolarHBondContact O-N 3.12Å; H454-V459 PolarHBondContact ND1-O 3.44Å; H454-W461 HydrophobicContact CB-CE3 4.37Å; H454-W461 AromaticContact CD2-CE3 3.51Å; H454-W461 AromaticContact CG-CE3 3.85Å; H454-W461 PolarHBondContact ND1-N 2.62Å; H454-W461 AromaticContact NE2-CE3 3.92Å; H454-I464 HydrophobicContact CB-CG2 4.07Å |
| 455 | L | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -27.4 | -178.7 | -65.4 | 177.9 | 0 | 0 | 0 | 113.4 | Y131 M134 A135 I451 G457 T556 L565 | Y131-L455 HydrophobicContact CD1-CD1 4.08Å; Y131-L455 HydrophobicContact CD1-CD2 4.2Å; Y131-L455 HydrophobicContact CE1-CD1 4.44Å; Y131-L455 WeakPolarHBondContact O-CD2 3.37Å; M134-L455 HydrophobicContact CB-CD2 3.86Å; M134-L455 HydrophobicContact CE-CD1 4.14Å; M134-L455 HydrophobicContact CE-CD2 3.99Å; A135-L455 HydrophobicContact CB-CD2 4.31Å; I451-L455 HydrophobicContact CG2-CD1 4.11Å; I451-L455 HydrophobicContact CG2-CG 4.33Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 3.39Å; L455-G457 PolarHBondContact O-N 3.05Å; L455-T556 PolarHBondContact O-OG1 2.66Å; L455-L565 HydrophobicContact CD1-CD1 3.38Å |
| 456 | R | 87 | Confident | 93 | Very high | 102 Ų | 102 | 31.6 Ų | 31.6 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 15.3 | 169.6 | -65.2 | 177 | -175.3 | -72.1 | -1.3 | 114.2 | S452 H454 S458 I562 | S452-R456 VanDerWaalsContact O-CG 3.24Å; S452-R456 WeakPolarHBondContact O-CG 3.36Å; S452-R456 PolarHBondContact O-N 3.03Å; H454-R456 PolarHBondContact O-N 3.27Å; R456-S458 PolarHBondContact O-N 3.39Å; R456-S458 PolarHBondContact O-OG 2.98Å; R456-I562 HydrophobicContact CG-CD1 3.52Å; R456-I562 VanDerWaalsContact CZ-CD1 3.42Å |
| 457 | G | 83 | Confident | 92.8 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 63% | 0.629 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 11.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | H454 L455 | H454-G457 WeakPolarHBondContact O-CA 3.31Å; H454-G457 PolarHBondContact O-N 3.12Å; L455-G457 PolarHBondContact O-N 3.05Å |
| 458 | S | 81.8 | Confident | 92.7 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -91.9 | -16.1 | -164 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | A453 R456 | A453-S458 WeakPolarHBondContact O-CA 3.2Å; A453-S458 WeakPolarHBondContact O-CB 3.23Å; A453-S458 PolarHBondContact O-N 2.92Å; R456-S458 PolarHBondContact O-N 3.39Å; R456-S458 PolarHBondContact O-OG 2.98Å |
| 459 | V | 86.5 | Confident | 92.6 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -144.7 | 130.6 | -177 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | A453 H454 V463 I464 R467 | A453-V459 HydrophobicContact CB-CB 4.18Å; A453-V459 HydrophobicContact CB-CG2 3.65Å; A453-V459 PolarHBondContact O-N 3.48Å; H454-V459 PolarHBondContact ND1-O 3.44Å; V459-V463 HydrophobicContact CG1-CG2 3.74Å; V459-I464 HydrophobicContact CG1-CG2 3.95Å; V459-R467 HydrophobicContact CG1-CB 4.15Å; V459-R467 HydrophobicContact CG1-CG 4.03Å; V459-R467 HydrophobicContact CG2-CG 4.18Å |
| 460 | S | 90.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 35.4 Ų | 35.4 | 46% | 0.462 | 19% | 0.192 | S | C | . | . | trans | -68.2 | 147.5 | 174.1 | -163.4 | 0 | 0 | 0 | 0 | 110.9 | D462 V463 I464 | S460-D462 PolarHBondContact O-N 3.39Å; S460-D462 PolarHBondContact OG-OD2 3.46Å; S460-V463 WeakPolarHBondContact O-CG2 3.29Å; S460-V463 PolarHBondContact O-N 2.9Å; S460-V463 VanDerWaalsContact O-N 3.15Å; S460-I464 WeakPolarHBondContact O-CG2 3.39Å; S460-I464 PolarHBondContact O-N 3.18Å | ||
| 461 | W | 93.3 | Very high | 92.7 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -52.9 | -40.9 | -179.8 | -171 | -97.1 | 0 | 0 | 0 | 112.1 | M128 Y131 R132 I451 H454 V463 I464 L499 | M128-W461 HydrophobicContact CB-CH2 4.4Å; M128-W461 HydrophobicContact CB-CZ2 3.71Å; M128-W461 HydrophobicContact CG-CH2 4.44Å; M128-W461 HydrophobicContact CG-CZ2 3.49Å; M128-W461 VanDerWaalsContact CG-CZ2 3.49Å; M128-W461 HydrophobicContact SD-CZ2 4.11Å; M128-W461 PolarHBondContact SD-NE1 2.91Å; Y131-W461 HydrophobicContact CD2-CH2 4.31Å; R132-W461 HydrophobicContact CG-CB 4.04Å; R132-W461 HydrophobicContact CG-CD2 3.48Å; R132-W461 VanDerWaalsContact CG-CD2 3.48Å; R132-W461 HydrophobicContact CG-CE3 3.65Å; R132-W461 HydrophobicContact CG-CG 3.62Å; R132-W461 HydrophobicContact CG-CZ3 4.36Å; I451-W461 HydrophobicContact CD1-CH2 4.5Å; I451-W461 HydrophobicContact CG1-CH2 4.23Å; I451-W461 HydrophobicContact CG1-CZ3 4.27Å; H454-W461 HydrophobicContact CB-CE3 4.37Å; H454-W461 AromaticContact CD2-CE3 3.51Å; H454-W461 AromaticContact CG-CE3 3.85Å; H454-W461 PolarHBondContact ND1-N 2.62Å; H454-W461 AromaticContact NE2-CE3 3.92Å; W461-V463 PolarHBondContact O-N 3.3Å; W461-I464 HydrophobicContact CD2-CD1 3.82Å; W461-I464 HydrophobicContact CE3-CD1 3.67Å; W461-I464 HydrophobicContact CH2-CD1 3.71Å; W461-I464 HydrophobicContact CZ2-CD1 3.85Å; W461-I464 HydrophobicContact CZ3-CD1 3.62Å; W461-I464 WeakPolarHBondContact O-CG1 3.46Å; W461-I464 PolarHBondContact O-N 2.86Å; W461-I464 VanDerWaalsContact O-N 3.17Å; W461-L499 HydrophobicContact CH2-CD2 4.24Å |
| 462 | D | 92.1 | Very high | 92.7 | Very high | 112 Ų | 112 | 39 Ų | 39 | 60% | 0.599 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -62.2 | -15 | -174.8 | -31.7 | -77.2 | 0 | 0 | 0 | 114.2 | S460 Q466 | S460-D462 PolarHBondContact O-N 3.39Å; S460-D462 PolarHBondContact OG-OD2 3.46Å; D462-Q466 PolarHBondContact O-OE1 3.48Å |
| 463 | V | 93 | Very high | 92.9 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 15% | 0.152 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -122.8 | 5.6 | -179.1 | -60.7 | 0 | 0 | 0 | 0 | 114 | V459 S460 W461 K465 Q466 R467 P795 | V459-V463 HydrophobicContact CG1-CG2 3.74Å; S460-V463 WeakPolarHBondContact O-CG2 3.29Å; S460-V463 PolarHBondContact O-N 2.9Å; S460-V463 VanDerWaalsContact O-N 3.15Å; W461-V463 PolarHBondContact O-N 3.3Å; V463-K465 VanDerWaalsContact C-N 3.31Å; V463-K465 PolarHBondContact O-N 3.48Å; V463-Q466 VanDerWaalsContact CA-OE1 3.31Å; V463-Q466 PolarHBondContact O-N 2.43Å; V463-R467 WeakPolarHBondContact O-CB 3.43Å; V463-R467 PolarHBondContact O-N 2.83Å; V463-P795 HydrophobicContact CG1-CG 3.96Å |
| 464 | I | 94.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -32 | -175.3 | 68.4 | -179.7 | 0 | 0 | 0 | 113.4 | N450 I451 H454 V459 S460 W461 G468 | N450-I464 HydrophobicContact CB-CB 4.32Å; N450-I464 WeakPolarHBondContact CB-O 3.43Å; N450-I464 PolarHBondContact ND2-O 3.12Å; I451-I464 HydrophobicContact CG1-CD1 4.19Å; H454-I464 HydrophobicContact CB-CG2 4.07Å; V459-I464 HydrophobicContact CG1-CG2 3.95Å; S460-I464 WeakPolarHBondContact O-CG2 3.39Å; S460-I464 PolarHBondContact O-N 3.18Å; W461-I464 HydrophobicContact CD2-CD1 3.82Å; W461-I464 HydrophobicContact CE3-CD1 3.67Å; W461-I464 HydrophobicContact CH2-CD1 3.71Å; W461-I464 HydrophobicContact CZ2-CD1 3.85Å; W461-I464 HydrophobicContact CZ3-CD1 3.62Å; W461-I464 WeakPolarHBondContact O-CG1 3.46Å; W461-I464 PolarHBondContact O-N 2.86Å; W461-I464 VanDerWaalsContact O-N 3.17Å; I464-G468 PolarHBondContact O-N 3.29Å |
| 465 | K | 95.9 | Very high | 93.3 | Very high | 99 Ų | 99 | 38.9 Ų | 38.9 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -74 | -47.7 | 179.2 | -68.2 | -165.7 | 175.8 | -173 | 0 | 109.7 | V463 R467 G468 E469 | V463-K465 VanDerWaalsContact C-N 3.31Å; V463-K465 PolarHBondContact O-N 3.48Å; K465-R467 PolarHBondContact O-N 2.62Å; K465-G468 CarbonylContact O-C 3.58Å; K465-G468 WeakPolarHBondContact O-CA 3.49Å; K465-G468 PolarHBondContact O-N 3.39Å; K465-E469 WeakPolarHBondContact O-CB 3.35Å; K465-E469 WeakPolarHBondContact O-CG 3.27Å; K465-E469 PolarHBondContact O-N 3.24Å |
| 466 | Q | 96.2 | Very high | 93.6 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.8 | -59.2 | 84.2 | -21.8 | 0 | 0 | 112.1 | D462 V463 G468 E469 F470 D792 | D462-Q466 PolarHBondContact O-OE1 3.48Å; V463-Q466 VanDerWaalsContact CA-OE1 3.31Å; V463-Q466 PolarHBondContact O-N 2.43Å; Q466-G468 VanDerWaalsContact C-N 3.32Å; Q466-G468 PolarHBondContact O-N 2.51Å; Q466-E469 PolarHBondContact O-N 3.32Å; Q466-F470 PolarHBondContact O-N 2.59Å; Q466-D792 HydrophobicContact CB-CB 4.33Å; Q466-D792 HydrophobicContact CG-CB 4.21Å |
| 467 | R | 94.2 | Very high | 94.1 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -36.2 | 175.5 | -172.5 | 68.6 | 139.2 | -102.5 | -9.2 | 112.1 | P418 I419 V459 V463 K465 C471 A793 | P418-R467 HydrophobicContact CB-CG 4.22Å; P418-R467 WeakPolarHBondContact O-CG 3.41Å; P418-R467 PolarHBondContact O-NE 3.36Å; I419-R467 PolarHBondContact O-NE 3.46Å; I419-R467 PolarHBondContact O-NH2 3.43Å; V459-R467 HydrophobicContact CG1-CB 4.15Å; V459-R467 HydrophobicContact CG1-CG 4.03Å; V459-R467 HydrophobicContact CG2-CG 4.18Å; V463-R467 WeakPolarHBondContact O-CB 3.43Å; V463-R467 PolarHBondContact O-N 2.83Å; K465-R467 PolarHBondContact O-N 2.62Å; R467-C471 WeakPolarHBondContact O-CB 3.47Å; R467-C471 PolarHBondContact O-N 2.95Å; R467-A793 PolarHBondContact NH1-O 3.15Å |
| 468 | G | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -52.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | I464 K465 Q466 F470 C471 R472 L493 | I464-G468 PolarHBondContact O-N 3.29Å; K465-G468 CarbonylContact O-C 3.58Å; K465-G468 WeakPolarHBondContact O-CA 3.49Å; K465-G468 PolarHBondContact O-N 3.39Å; Q466-G468 VanDerWaalsContact C-N 3.32Å; Q466-G468 PolarHBondContact O-N 2.51Å; G468-F470 PolarHBondContact O-N 2.68Å; G468-C471 CarbonylContact O-C 3.56Å; G468-C471 WeakPolarHBondContact O-CA 3.38Å; G468-C471 WeakPolarHBondContact O-CB 3.32Å; G468-C471 PolarHBondContact O-N 2.91Å; G468-R472 WeakPolarHBondContact O-CB 3.15Å; G468-R472 PolarHBondContact O-N 2.98Å; G468-L493 VanDerWaalsContact C-CD2 3.45Å |
| 469 | E | 97.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 30.7 Ų | 30.7 | 29% | 0.285 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59 | -46.3 | -178.4 | -78.7 | -58.5 | 98.2 | 0 | 0 | 113.2 | K465 Q466 C471 R472 V473 L493 | K465-E469 WeakPolarHBondContact O-CB 3.35Å; K465-E469 WeakPolarHBondContact O-CG 3.27Å; K465-E469 PolarHBondContact O-N 3.24Å; Q466-E469 PolarHBondContact O-N 3.32Å; E469-C471 VanDerWaalsContact C-N 3.28Å; E469-C471 PolarHBondContact O-N 3.45Å; E469-R472 VanDerWaalsContact CD-NE 3.3Å; E469-R472 WeakPolarHBondContact O-CB 3.37Å; E469-R472 PolarHBondContact O-N 2.91Å; E469-R472 WeakPolarHBondContact OE1-CD 3.47Å; E469-R472 IonicContact OE1-CZ 3.88Å; E469-R472 IonicContact OE1-NE 2.73Å; E469-R472 PolarHBondContact OE1-NE 2.92Å; E469-R472 IonicContact OE1-NH2 3.79Å; E469-R472 IonicContact OE2-CZ 2.68Å; E469-R472 VanDerWaalsContact OE2-CZ 3.32Å; E469-R472 IonicContact OE2-NE 2.64Å; E469-R472 PolarHBondContact OE2-NE 3.23Å; E469-R472 VanDerWaalsContact OE2-NE 3.13Å; E469-R472 IonicContact OE2-NH2 2.81Å; E469-R472 PolarHBondContact OE2-NH2 2.84Å; E469-V473 WeakPolarHBondContact O-CG2 3.43Å; E469-V473 PolarHBondContact O-N 3.4Å; E469-L493 HydrophobicContact CG-CD1 4.33Å |
| 470 | F | 96.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 173.4 | 174.8 | -98.6 | 0 | 0 | 0 | 111.3 | L421 Q466 G468 V473 I474 I662 L789 L790 A793 F794 | L421-F470 HydrophobicContact CD2-CE1 3.59Å; L421-F470 HydrophobicContact CD2-CZ 3.9Å; Q466-F470 PolarHBondContact O-N 2.59Å; G468-F470 PolarHBondContact O-N 2.68Å; F470-V473 PolarHBondContact O-N 2.96Å; F470-I474 HydrophobicContact CD2-CG1 4.45Å; F470-I474 HydrophobicContact CE1-CG1 4.16Å; F470-I474 HydrophobicContact CE2-CD1 4.24Å; F470-I474 HydrophobicContact CE2-CG1 4.02Å; F470-I474 HydrophobicContact CZ-CD1 4.38Å; F470-I474 HydrophobicContact CZ-CG1 3.87Å; F470-I474 WeakPolarHBondContact O-CG1 3.41Å; F470-I474 PolarHBondContact O-N 3.14Å; F470-I474 VanDerWaalsContact O-N 3.1Å; F470-I662 HydrophobicContact CZ-CG2 4.46Å; F470-L789 HydrophobicContact CD2-CB 4.12Å; F470-L790 HydrophobicContact CD2-CB 4.08Å; F470-L790 HydrophobicContact CE2-CB 3.7Å; F470-L790 HydrophobicContact CE2-CD1 4.08Å; F470-L790 HydrophobicContact CE2-CG 4.12Å; F470-L790 HydrophobicContact CZ-CB 4.32Å; F470-L790 HydrophobicContact CZ-CD1 3.95Å; F470-L790 HydrophobicContact CZ-CG 4.24Å; F470-A793 HydrophobicContact CB-CB 3.59Å; F470-A793 HydrophobicContact CD1-CB 4.48Å; F470-A793 HydrophobicContact CG-CB 4.06Å; F470-F794 HydrophobicContact CD1-CE2 4.04Å; F470-F794 HydrophobicContact CE1-CE2 4.15Å |
| 471 | C | 96.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.9 | -167.1 | 0 | 0 | 0 | 0 | 112 | P418 V448 R467 G468 E469 I474 L475 | P418-C471 HydrophobicContact CB-CB 3.86Å; V448-C471 HydrophobicContact CG1-CB 3.88Å; R467-C471 WeakPolarHBondContact O-CB 3.47Å; R467-C471 PolarHBondContact O-N 2.95Å; G468-C471 CarbonylContact O-C 3.56Å; G468-C471 WeakPolarHBondContact O-CA 3.38Å; G468-C471 WeakPolarHBondContact O-CB 3.32Å; G468-C471 PolarHBondContact O-N 2.91Å; E469-C471 VanDerWaalsContact C-N 3.28Å; E469-C471 PolarHBondContact O-N 3.45Å; C471-I474 PolarHBondContact O-N 3.29Å; C471-L475 WeakPolarHBondContact O-CB 3.28Å; C471-L475 VanDerWaalsContact O-CG 3.29Å; C471-L475 WeakPolarHBondContact O-CG 3.39Å; C471-L475 PolarHBondContact O-N 2.7Å; C471-L475 VanDerWaalsContact SG-CD1 3.57Å |
| 472 | R | 97.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 28.5 Ų | 28.5 | 27% | 0.272 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 177.2 | -168.8 | -171.6 | 63.7 | 72.8 | 1.3 | 111.7 | V448 G468 E469 T476 C491 L493 | V448-R472 HydrophobicContact CG2-CB 4.39Å; G468-R472 WeakPolarHBondContact O-CB 3.15Å; G468-R472 PolarHBondContact O-N 2.98Å; E469-R472 VanDerWaalsContact CD-NE 3.3Å; E469-R472 WeakPolarHBondContact O-CB 3.37Å; E469-R472 PolarHBondContact O-N 2.91Å; E469-R472 WeakPolarHBondContact OE1-CD 3.47Å; E469-R472 IonicContact OE1-CZ 3.88Å; E469-R472 IonicContact OE1-NE 2.73Å; E469-R472 PolarHBondContact OE1-NE 2.92Å; E469-R472 IonicContact OE1-NH2 3.79Å; E469-R472 IonicContact OE2-CZ 2.68Å; E469-R472 VanDerWaalsContact OE2-CZ 3.32Å; E469-R472 IonicContact OE2-NE 2.64Å; E469-R472 PolarHBondContact OE2-NE 3.23Å; E469-R472 VanDerWaalsContact OE2-NE 3.13Å; E469-R472 IonicContact OE2-NH2 2.81Å; E469-R472 PolarHBondContact OE2-NH2 2.84Å; R472-T476 VanDerWaalsContact O-CB 3.32Å; R472-T476 WeakPolarHBondContact O-CB 3.32Å; R472-T476 PolarHBondContact O-N 2.94Å; R472-T476 PolarHBondContact O-OG1 2.72Å; R472-C491 WeakPolarHBondContact CD-O 3.41Å; R472-C491 HydrophobicContact CG-CB 4.02Å; R472-L493 HydrophobicContact CB-CD2 4.07Å; R472-L493 HydrophobicContact CG-CD2 4.49Å |
| 473 | V | 97.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 13% | 0.127 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -51.1 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | E469 F470 L475 T476 G477 P781 L786 L789 | E469-V473 WeakPolarHBondContact O-CG2 3.43Å; E469-V473 PolarHBondContact O-N 3.4Å; F470-V473 PolarHBondContact O-N 2.96Å; V473-L475 VanDerWaalsContact C-N 3.34Å; V473-L475 PolarHBondContact O-N 2.91Å; V473-T476 PolarHBondContact O-N 3.46Å; V473-G477 PolarHBondContact O-N 3.44Å; V473-P781 HydrophobicContact CG1-CG 3.86Å; V473-L786 HydrophobicContact CG1-CD2 4.2Å; V473-L789 HydrophobicContact CB-CD1 4.49Å; V473-L789 HydrophobicContact CG1-CD1 4.26Å; V473-L789 HydrophobicContact CG2-CD1 4.17Å |
| 474 | I | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | -179.5 | -62.6 | -49.4 | 0 | 0 | 0 | 111.9 | P422 F470 C471 L478 L661 I662 L780 L786 | P422-I474 HydrophobicContact CB-CG2 3.94Å; P422-I474 HydrophobicContact CG-CB 4.21Å; P422-I474 HydrophobicContact CG-CG2 4.08Å; F470-I474 HydrophobicContact CD2-CG1 4.45Å; F470-I474 HydrophobicContact CE1-CG1 4.16Å; F470-I474 HydrophobicContact CE2-CD1 4.24Å; F470-I474 HydrophobicContact CE2-CG1 4.02Å; F470-I474 HydrophobicContact CZ-CD1 4.38Å; F470-I474 HydrophobicContact CZ-CG1 3.87Å; F470-I474 WeakPolarHBondContact O-CG1 3.41Å; F470-I474 PolarHBondContact O-N 3.14Å; F470-I474 VanDerWaalsContact O-N 3.1Å; C471-I474 PolarHBondContact O-N 3.29Å; I474-L478 WeakPolarHBondContact O-CB 3.42Å; I474-L478 PolarHBondContact O-N 2.73Å; I474-L661 HydrophobicContact CG2-CB 4.2Å; I474-L661 HydrophobicContact CG2-CD1 4Å; I474-I662 HydrophobicContact CD1-CB 4.16Å; I474-I662 HydrophobicContact CD1-CG1 3.66Å; I474-L780 HydrophobicContact CD1-CD1 4.24Å; I474-L780 HydrophobicContact CD1-CD2 3.8Å; I474-L786 HydrophobicContact CD1-CD2 3.83Å |
| 475 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -74.2 | -33.7 | -180 | -68.5 | 170.1 | 0 | 0 | 0 | 113 | W414 V416 H426 M430 V446 V448 C471 V473 L478 F479 | W414-L475 HydrophobicContact CH2-CD2 4.43Å; W414-L475 HydrophobicContact CZ3-CD1 4.34Å; W414-L475 HydrophobicContact CZ3-CD2 4.39Å; V416-L475 HydrophobicContact CG1-CD1 3.66Å; H426-L475 HydrophobicContact CB-CD2 4.15Å; M430-L475 HydrophobicContact CG-CD2 4.38Å; M430-L475 HydrophobicContact SD-CD2 4.32Å; V446-L475 HydrophobicContact CG1-CD1 4.41Å; V448-L475 HydrophobicContact CG2-CD1 4.41Å; C471-L475 WeakPolarHBondContact O-CB 3.28Å; C471-L475 VanDerWaalsContact O-CG 3.29Å; C471-L475 WeakPolarHBondContact O-CG 3.39Å; C471-L475 PolarHBondContact O-N 2.7Å; C471-L475 VanDerWaalsContact SG-CD1 3.57Å; V473-L475 VanDerWaalsContact C-N 3.34Å; V473-L475 PolarHBondContact O-N 2.91Å; L475-L478 HydrophobicContact CD2-CD2 4.2Å; L475-L478 PolarHBondContact O-N 2.74Å; L475-F479 WeakPolarHBondContact O-CB 3.43Å; L475-F479 PolarHBondContact O-N 2.62Å |
| 476 | T | 98.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 25.7 Ų | 25.7 | 20% | 0.202 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 171.9 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | R472 V473 L478 F479 T480 L486 F489 | R472-T476 VanDerWaalsContact O-CB 3.32Å; R472-T476 WeakPolarHBondContact O-CB 3.32Å; R472-T476 PolarHBondContact O-N 2.94Å; R472-T476 PolarHBondContact O-OG1 2.72Å; V473-T476 PolarHBondContact O-N 3.46Å; T476-L478 VanDerWaalsContact C-N 3.34Å; T476-L478 PolarHBondContact O-N 2.69Å; T476-F479 PolarHBondContact O-N 2.91Å; T476-T480 PolarHBondContact O-N 3.24Å; T476-T480 PolarHBondContact O-OG1 3.29Å; T476-T480 VanDerWaalsContact O-OG1 3.13Å; T476-L486 HydrophobicContact CG2-CD2 4.18Å; T476-F489 HydrophobicContact CG2-CE1 4.07Å |
| 477 | G | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V473 T480 A481 S779 | V473-G477 PolarHBondContact O-N 3.44Å; G477-T480 PolarHBondContact O-N 2.94Å; G477-A481 VanDerWaalsContact O-CB 3.23Å; G477-A481 WeakPolarHBondContact O-CB 3.48Å; G477-A481 PolarHBondContact O-N 3.37Å; G477-S779 WeakPolarHBondContact CA-O 3.46Å; G477-S779 WeakPolarHBondContact O-CB 3.42Å |
| 478 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 173.7 | 179.1 | 61.4 | 0 | 0 | 0 | 112.6 | H426 M430 I474 L475 T476 A481 L482 L661 L772 L776 | H426-L478 HydrophobicContact CB-CD2 4.27Å; M430-L478 HydrophobicContact CB-CD2 4.15Å; M430-L478 HydrophobicContact CB-CG 4.22Å; M430-L478 HydrophobicContact CG-CD2 3.86Å; M430-L478 HydrophobicContact CG-CG 4.3Å; I474-L478 WeakPolarHBondContact O-CB 3.42Å; I474-L478 PolarHBondContact O-N 2.73Å; L475-L478 HydrophobicContact CD2-CD2 4.2Å; L475-L478 PolarHBondContact O-N 2.74Å; T476-L478 VanDerWaalsContact C-N 3.34Å; T476-L478 PolarHBondContact O-N 2.69Å; L478-A481 PolarHBondContact O-N 3.02Å; L478-L482 HydrophobicContact CD1-CD1 3.81Å; L478-L482 HydrophobicContact CD1-CG 4.34Å; L478-L482 HydrophobicContact CG-CD1 3.92Å; L478-L482 WeakPolarHBondContact O-CB 3.42Å; L478-L482 WeakPolarHBondContact O-CD1 3.22Å; L478-L482 VanDerWaalsContact O-CG 3.28Å; L478-L482 WeakPolarHBondContact O-CG 3.3Å; L478-L482 PolarHBondContact O-N 3.33Å; L478-L661 HydrophobicContact CD2-CD1 3.78Å; L478-L772 HydrophobicContact CD1-CD1 4.06Å; L478-L772 HydrophobicContact CD1-CD2 4.36Å; L478-L776 HydrophobicContact CB-CD1 4.31Å |
| 479 | F | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 175.5 | -179.4 | -97.5 | 0 | 0 | 0 | 111.3 | L433 A434 S437 I444 L475 T476 L482 G483 G484 L486 F489 | L433-F479 HydrophobicContact CB-CE2 4.47Å; A434-F479 VanDerWaalsContact CA-CE2 3.5Å; A434-F479 HydrophobicContact CB-CD2 3.96Å; A434-F479 HydrophobicContact CB-CE2 4.01Å; S437-F479 WeakPolarHBondContact OG-CZ 3.49Å; I444-F479 HydrophobicContact CB-CE2 4.44Å; I444-F479 HydrophobicContact CG1-CE2 4.22Å; I444-F479 HydrophobicContact CG1-CZ 4.27Å; I444-F479 HydrophobicContact CG2-CE2 4.19Å; L475-F479 WeakPolarHBondContact O-CB 3.43Å; L475-F479 PolarHBondContact O-N 2.62Å; T476-F479 PolarHBondContact O-N 2.91Å; F479-L482 CarbonylContact O-C 3.59Å; F479-L482 PolarHBondContact O-N 3.15Å; F479-G483 PolarHBondContact O-N 2.87Å; F479-G484 VanDerWaalsContact CE1-C 3.44Å; F479-G484 VanDerWaalsContact CE1-CA 3.46Å; F479-G484 PolarHBondContact O-N 2.72Å; F479-L486 HydrophobicContact CD1-CD2 4.06Å; F479-L486 HydrophobicContact CE1-CD2 4.35Å; F479-F489 HydrophobicContact CB-CE2 4.01Å; F479-F489 HydrophobicContact CB-CZ 4.06Å; F479-F489 HydrophobicContact CD1-CB 4.36Å; F479-F489 HydrophobicContact CD1-CD1 4.15Å; F479-F489 AromaticContact CD1-CD2 3.6Å; F479-F489 HydrophobicContact CD1-CD2 3.6Å; F479-F489 HydrophobicContact CD1-CE1 4.29Å; F479-F489 AromaticContact CD1-CE2 3.75Å; F479-F489 HydrophobicContact CD1-CE2 3.75Å; F479-F489 AromaticContact CD1-CG 3.8Å; F479-F489 HydrophobicContact CD1-CG 3.8Å; F479-F489 HydrophobicContact CD1-CZ 4.09Å; F479-F489 AromaticContact CD2-CD2 3.74Å; F479-F489 HydrophobicContact CD2-CD2 3.74Å; F479-F489 AromaticContact CD2-CE2 3.57Å; F479-F489 HydrophobicContact CD2-CE2 3.57Å; F479-F489 HydrophobicContact CD2-CZ 4.44Å; F479-F489 HydrophobicContact CE1-CB 3.55Å; F479-F489 HydrophobicContact CE1-CD1 4.18Å; F479-F489 AromaticContact CE1-CD2 3.36Å; F479-F489 HydrophobicContact CE1-CD2 3.36Å; F479-F489 HydrophobicContact CE1-CE2 4Å; F479-F489 AromaticContact CE1-CG 3.45Å; F479-F489 HydrophobicContact CE1-CG 3.45Å; F479-F489 VanDerWaalsContact CE1-CG 3.45Å; F479-F489 AromaticContact CE2-CD2 3.5Å; F479-F489 HydrophobicContact CE2-CD2 3.5Å; F479-F489 AromaticContact CE2-CE2 3.83Å; F479-F489 HydrophobicContact CE2-CE2 3.83Å; F479-F489 HydrophobicContact CE2-CG 4.41Å; F479-F489 AromaticContact CG-CD2 3.77Å; F479-F489 HydrophobicContact CG-CD2 3.77Å; F479-F489 AromaticContact CG-CE2 3.51Å; F479-F489 HydrophobicContact CG-CE2 3.51Å; F479-F489 HydrophobicContact CG-CG 4.41Å; F479-F489 AromaticContact CG-CZ 3.97Å; F479-F489 HydrophobicContact CG-CZ 3.97Å; F479-F489 HydrophobicContact CZ-CB 3.8Å; F479-F489 AromaticContact CZ-CD2 3.3Å; F479-F489 HydrophobicContact CZ-CD2 3.3Å; F479-F489 HydrophobicContact CZ-CE2 4.04Å; F479-F489 AromaticContact CZ-CG 3.79Å; F479-F489 HydrophobicContact CZ-CG 3.79Å |
| 480 | T | 98 | Very high | 97.2 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 31% | 0.307 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 173.1 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | T476 G477 L482 G483 | T476-T480 PolarHBondContact O-N 3.24Å; T476-T480 PolarHBondContact O-OG1 3.29Å; T476-T480 VanDerWaalsContact O-OG1 3.13Å; G477-T480 PolarHBondContact O-N 2.94Å; T480-L482 PolarHBondContact O-N 3.05Å; T480-G483 WeakPolarHBondContact O-CA 3.36Å; T480-G483 PolarHBondContact O-N 3.14Å |
| 481 | A | 97.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.2 | -19.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G477 L478 G483 L772 R775 L776 S779 | G477-A481 VanDerWaalsContact O-CB 3.23Å; G477-A481 WeakPolarHBondContact O-CB 3.48Å; G477-A481 PolarHBondContact O-N 3.37Å; L478-A481 PolarHBondContact O-N 3.02Å; A481-G483 VanDerWaalsContact C-N 3.33Å; A481-L772 HydrophobicContact CB-CD1 4.39Å; A481-R775 HydrophobicContact CB-CB 4.05Å; A481-R775 PolarHBondContact O-NE 3.28Å; A481-L776 HydrophobicContact CB-CB 4.08Å; A481-L776 HydrophobicContact CB-CD1 4.28Å; A481-S779 WeakPolarHBondContact CA-OG 3.39Å; A481-S779 PolarHBondContact N-OG 3.4Å |
| 482 | L | 96.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 8.3 | 171.8 | -65.8 | 163.3 | 0 | 0 | 0 | 111.8 | M430 R431 A434 R438 L478 F479 T480 L772 | M430-L482 HydrophobicContact CB-CD1 3.76Å; R431-L482 HydrophobicContact CB-CD1 4.03Å; R431-L482 HydrophobicContact CB-CD2 3.99Å; R431-L482 HydrophobicContact CB-CG 4.44Å; R431-L482 HydrophobicContact CG-CD2 4.13Å; A434-L482 HydrophobicContact CB-CB 3.86Å; R438-L482 PolarHBondContact NH2-O 3.32Å; L478-L482 HydrophobicContact CD1-CD1 3.81Å; L478-L482 HydrophobicContact CD1-CG 4.34Å; L478-L482 HydrophobicContact CG-CD1 3.92Å; L478-L482 WeakPolarHBondContact O-CB 3.42Å; L478-L482 WeakPolarHBondContact O-CD1 3.22Å; L478-L482 VanDerWaalsContact O-CG 3.28Å; L478-L482 WeakPolarHBondContact O-CG 3.3Å; L478-L482 PolarHBondContact O-N 3.33Å; F479-L482 CarbonylContact O-C 3.59Å; F479-L482 PolarHBondContact O-N 3.15Å; T480-L482 PolarHBondContact O-N 3.05Å; L482-L772 HydrophobicContact CD2-CD1 3.64Å; L482-L772 HydrophobicContact CG-CD1 3.98Å |
| 483 | G | 95.9 | Very high | 97.3 | Very high | 36 Ų | 36 | 23.2 Ų | 23.2 | 37% | 0.371 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R438 F479 T480 A481 | R438-G483 VanDerWaalsContact CZ-O 3.29Å; R438-G483 PolarHBondContact NE-O 3.13Å; R438-G483 PolarHBondContact NH2-O 3.05Å; F479-G483 PolarHBondContact O-N 2.87Å; T480-G483 WeakPolarHBondContact O-CA 3.36Å; T480-G483 PolarHBondContact O-N 3.14Å; A481-G483 VanDerWaalsContact C-N 3.33Å |
| 484 | G | 97.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 13% | 0.134 | 14% | 0.135 | C | C | . | . | trans | -75.4 | 148.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F479 L486 | F479-G484 VanDerWaalsContact CE1-C 3.44Å; F479-G484 VanDerWaalsContact CE1-CA 3.46Å; F479-G484 PolarHBondContact O-N 2.72Å; G484-L486 PolarHBondContact O-N 2.93Å | ||
| 485 | N | 96.9 | Very high | 97.2 | Very high | 51 Ų | 51 | 22.5 Ų | 22.5 | 27% | 0.273 | 14% | 0.137 | S | C | . | . | trans | -86.6 | 102.1 | -179.6 | 179.4 | 5.5 | 0 | 0 | 0 | 110.7 | S437 N487 Q488 | S437-N485 WeakPolarHBondContact O-CB 3.18Å; S437-N485 PolarHBondContact O-ND2 2.94Å; S437-N485 VanDerWaalsContact O-ND2 3.17Å; S437-N485 PolarHBondContact OG-N 3.02Å; N485-N487 PolarHBondContact O-N 3.03Å; N485-N487 VanDerWaalsContact O-N 3.16Å; N485-N487 WeakPolarHBondContact OD1-CB 3.36Å; N485-N487 PolarHBondContact OD1-N 3.45Å; N485-Q488 PolarHBondContact O-N 2.8Å; N485-Q488 VanDerWaalsContact O-N 3.11Å | ||
| 486 | L | 95.9 | Very high | 97 | Very high | 80 Ų | 80 | 25 Ų | 25 | 42% | 0.419 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -60 | -26.1 | -177.5 | -68.7 | 175.4 | 0 | 0 | 0 | 113.9 | R372 T476 F479 G484 Q488 F489 | R372-L486 PolarHBondContact NH2-O 2.8Å; T476-L486 HydrophobicContact CG2-CD2 4.18Å; F479-L486 HydrophobicContact CD1-CD2 4.06Å; F479-L486 HydrophobicContact CE1-CD2 4.35Å; G484-L486 PolarHBondContact O-N 2.93Å; L486-Q488 VanDerWaalsContact C-N 3.31Å; L486-Q488 PolarHBondContact O-N 3.34Å; L486-F489 HydrophobicContact CD2-CD1 3.96Å; L486-F489 HydrophobicContact CD2-CE1 4.42Å; L486-F489 PolarHBondContact O-N 3.09Å |
| 487 | N | 94.9 | Very high | 96.8 | Very high | 132 Ų | 132 | 23.4 Ų | 23.4 | 71% | 0.706 | 14% | 0.141 | S | C | * | . | G | 310 helix | trans | -65.8 | -34.7 | 178.1 | -64.7 | -25.6 | 0 | 0 | 0 | 112 | R372 N485 | R372-N487 PolarHBondContact NH2-O 2.92Å; N485-N487 PolarHBondContact O-N 3.03Å; N485-N487 VanDerWaalsContact O-N 3.16Å; N485-N487 WeakPolarHBondContact OD1-CB 3.36Å; N485-N487 PolarHBondContact OD1-N 3.45Å |
| 488 | Q | 95.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 23.3 Ų | 23.3 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -100.7 | 31.9 | 177.5 | -54.9 | -171.1 | 143.4 | 0 | 0 | 111.7 | M376 S437 L439 V442 Y443 I444 N485 L486 | M376-Q488 HydrophobicContact CG-CG 3.93Å; M376-Q488 HydrophobicContact SD-CB 4.09Å; M376-Q488 VanDerWaalsContact SD-CD 3.6Å; M376-Q488 HydrophobicContact SD-CG 3.78Å; M376-Q488 PolarHBondContact SD-OE1 3Å; M376-Q488 VanDerWaalsContact SD-OE1 3.38Å; S437-Q488 PolarHBondContact O-NE2 2.77Å; L439-Q488 PolarHBondContact O-NE2 2.91Å; V442-Q488 WeakPolarHBondContact O-CB 3.28Å; V442-Q488 PolarHBondContact O-NE2 3.45Å; Y443-Q488 WeakPolarHBondContact CA-O 3.43Å; Y443-Q488 HydrophobicContact CD2-CB 4.35Å; I444-Q488 PolarHBondContact N-O 2.79Å; N485-Q488 PolarHBondContact O-N 2.8Å; N485-Q488 VanDerWaalsContact O-N 3.11Å; L486-Q488 VanDerWaalsContact C-N 3.31Å; L486-Q488 PolarHBondContact O-N 3.34Å |
| 489 | F | 97.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 139.7 | -175.8 | 175.9 | -95.2 | 0 | 0 | 0 | 113.3 | R372 I444 V446 T476 F479 L486 C491 | R372-F489 VanDerWaalsContact CZ-O 3.31Å; R372-F489 PolarHBondContact NH1-O 2.85Å; R372-F489 PolarHBondContact NH2-O 3.38Å; I444-F489 HydrophobicContact CB-CD2 3.94Å; I444-F489 HydrophobicContact CG2-CD2 3.78Å; I444-F489 HydrophobicContact CG2-CE2 4.18Å; I444-F489 CarbonylContact O-C 3.55Å; I444-F489 WeakPolarHBondContact O-CA 3.4Å; V446-F489 HydrophobicContact CB-CE2 4.43Å; V446-F489 HydrophobicContact CG2-CE2 3.58Å; V446-F489 HydrophobicContact CG2-CZ 4.08Å; T476-F489 HydrophobicContact CG2-CE1 4.07Å; F479-F489 HydrophobicContact CB-CE2 4.01Å; F479-F489 HydrophobicContact CB-CZ 4.06Å; F479-F489 HydrophobicContact CD1-CB 4.36Å; F479-F489 HydrophobicContact CD1-CD1 4.15Å; F479-F489 AromaticContact CD1-CD2 3.6Å; F479-F489 HydrophobicContact CD1-CD2 3.6Å; F479-F489 HydrophobicContact CD1-CE1 4.29Å; F479-F489 AromaticContact CD1-CE2 3.75Å; F479-F489 HydrophobicContact CD1-CE2 3.75Å; F479-F489 AromaticContact CD1-CG 3.8Å; F479-F489 HydrophobicContact CD1-CG 3.8Å; F479-F489 HydrophobicContact CD1-CZ 4.09Å; F479-F489 AromaticContact CD2-CD2 3.74Å; F479-F489 HydrophobicContact CD2-CD2 3.74Å; F479-F489 AromaticContact CD2-CE2 3.57Å; F479-F489 HydrophobicContact CD2-CE2 3.57Å; F479-F489 HydrophobicContact CD2-CZ 4.44Å; F479-F489 HydrophobicContact CE1-CB 3.55Å; F479-F489 HydrophobicContact CE1-CD1 4.18Å; F479-F489 AromaticContact CE1-CD2 3.36Å; F479-F489 HydrophobicContact CE1-CD2 3.36Å; F479-F489 HydrophobicContact CE1-CE2 4Å; F479-F489 AromaticContact CE1-CG 3.45Å; F479-F489 HydrophobicContact CE1-CG 3.45Å; F479-F489 VanDerWaalsContact CE1-CG 3.45Å; F479-F489 AromaticContact CE2-CD2 3.5Å; F479-F489 HydrophobicContact CE2-CD2 3.5Å; F479-F489 AromaticContact CE2-CE2 3.83Å; F479-F489 HydrophobicContact CE2-CE2 3.83Å; F479-F489 HydrophobicContact CE2-CG 4.41Å; F479-F489 AromaticContact CG-CD2 3.77Å; F479-F489 HydrophobicContact CG-CD2 3.77Å; F479-F489 AromaticContact CG-CE2 3.51Å; F479-F489 HydrophobicContact CG-CE2 3.51Å; F479-F489 HydrophobicContact CG-CG 4.41Å; F479-F489 AromaticContact CG-CZ 3.97Å; F479-F489 HydrophobicContact CG-CZ 3.97Å; F479-F489 HydrophobicContact CZ-CB 3.8Å; F479-F489 AromaticContact CZ-CD2 3.3Å; F479-F489 HydrophobicContact CZ-CD2 3.3Å; F479-F489 HydrophobicContact CZ-CE2 4.04Å; F479-F489 AromaticContact CZ-CG 3.79Å; F479-F489 HydrophobicContact CZ-CG 3.79Å; L486-F489 HydrophobicContact CD2-CD1 3.96Å; L486-F489 HydrophobicContact CD2-CE1 4.42Å; L486-F489 PolarHBondContact O-N 3.09Å; F489-C491 HydrophobicContact CE1-CB 3.69Å; F489-C491 HydrophobicContact CZ-CB 3.71Å |
| 490 | S | 97.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.5 | 164.4 | -72.4 | 0 | 0 | 0 | 0 | 110.9 | R372 Y443 I444 I445 V446 | R372-S490 PolarHBondContact NH1-OG 2.9Å; R372-S490 VanDerWaalsContact NH1-OG 3.11Å; Y443-S490 PolarHBondContact OH-OG 3.46Å; I444-S490 PolarHBondContact O-N 3.41Å; I445-S490 CarbonylContact C-O 3.54Å; I445-S490 WeakPolarHBondContact CA-O 3.32Å; V446-S490 PolarHBondContact N-O 2.9Å |
| 491 | C | 97.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 10% | 0.101 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.3 | 168.5 | -168.6 | 0 | 0 | 0 | 0 | 108.3 | V446 R472 F489 | V446-C491 HydrophobicContact CB-CB 4.14Å; V446-C491 VanDerWaalsContact CG1-SG 3.59Å; V446-C491 WeakPolarHBondContact O-CA 3.48Å; R472-C491 WeakPolarHBondContact CD-O 3.41Å; R472-C491 HydrophobicContact CG-CB 4.02Å; F489-C491 HydrophobicContact CE1-CB 3.69Å; F489-C491 HydrophobicContact CZ-CB 3.71Å |
| 492 | I | 97.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 5% | 0.046 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159.2 | -170 | 58.2 | 171 | 0 | 0 | 0 | 111.1 | I365 L366 I369 I445 V446 L447 V448 F497 L573 | I365-I492 HydrophobicContact CG1-CG2 4.46Å; L366-I492 HydrophobicContact CD2-CD1 4.19Å; I369-I492 HydrophobicContact CD1-CD1 3.99Å; I369-I492 HydrophobicContact CD1-CG2 4.06Å; I445-I492 HydrophobicContact CG2-CD1 4.47Å; V446-I492 PolarHBondContact O-N 2.68Å; L447-I492 HydrophobicContact CD1-CD1 4.47Å; L447-I492 HydrophobicContact CD1-CG1 4.21Å; V448-I492 PolarHBondContact N-O 2.82Å; I492-F497 HydrophobicContact CD1-CD1 4.22Å; I492-F497 HydrophobicContact CD1-CE1 3.96Å; I492-L573 HydrophobicContact CD1-CD2 3.78Å |
| 493 | L | 97.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 155.7 | 172.7 | -40.6 | -175.1 | 0 | 0 | 0 | 110.9 | V448 G468 E469 R472 S495 D496 F497 | V448-L493 HydrophobicContact CB-CD2 3.82Å; V448-L493 HydrophobicContact CG1-CD2 4.02Å; V448-L493 HydrophobicContact CG2-CD2 4.42Å; V448-L493 CarbonylContact O-C 3.57Å; V448-L493 WeakPolarHBondContact O-CA 3.32Å; G468-L493 VanDerWaalsContact C-CD2 3.45Å; E469-L493 HydrophobicContact CG-CD1 4.33Å; R472-L493 HydrophobicContact CB-CD2 4.07Å; R472-L493 HydrophobicContact CG-CD2 4.49Å; L493-S495 VanDerWaalsContact C-N 3.28Å; L493-S495 WeakPolarHBondContact CB-OG 3.49Å; L493-S495 PolarHBondContact O-N 3.45Å; L493-D496 WeakPolarHBondContact CA-OD2 3.45Å; L493-D496 WeakPolarHBondContact CB-OD1 3.46Å; L493-D496 WeakPolarHBondContact CB-OD2 3.34Å; L493-D496 PolarHBondContact N-OD2 3.4Å; L493-D496 WeakPolarHBondContact O-CB 3.41Å; L493-D496 PolarHBondContact O-N 3.3Å; L493-F497 WeakPolarHBondContact O-CE1 3.4Å |
| 494 | G | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -59.8 | -40.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V448 N450 D496 F497 Q498 | V448-G494 PolarHBondContact O-N 2.84Å; N450-G494 PolarHBondContact OD1-N 2.77Å; G494-D496 PolarHBondContact O-N 3.44Å; G494-F497 PolarHBondContact O-N 3.03Å; G494-Q498 VanDerWaalsContact C-OE1 3.27Å; G494-Q498 VanDerWaalsContact CA-CD 3.49Å; G494-Q498 WeakPolarHBondContact O-CB 3.23Å; G494-Q498 WeakPolarHBondContact O-CG 3.21Å; G494-Q498 PolarHBondContact O-N 3.36Å; G494-Q498 PolarHBondContact O-OE1 3.13Å |
| 495 | S | 95.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -58.7 | -10.8 | 176.9 | 57.3 | 0 | 0 | 0 | 0 | 116 | N450 L493 | N450-S495 PolarHBondContact ND2-OG 3.2Å; N450-S495 PolarHBondContact OD1-N 2.97Å; L493-S495 VanDerWaalsContact C-N 3.28Å; L493-S495 WeakPolarHBondContact CB-OG 3.49Å; L493-S495 PolarHBondContact O-N 3.45Å |
| 496 | D | 94.5 | Very high | 95 | Very high | 52 Ų | 52 | 24.1 Ų | 24.1 | 28% | 0.278 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -86.6 | -16 | -175.8 | -51.5 | -16.2 | 0 | 0 | 0 | 111.8 | I365 L493 G494 | I365-D496 HydrophobicContact CG2-CB 4.42Å; I365-D496 WeakPolarHBondContact CG2-O 3.46Å; L493-D496 WeakPolarHBondContact CA-OD2 3.45Å; L493-D496 WeakPolarHBondContact CB-OD1 3.46Å; L493-D496 WeakPolarHBondContact CB-OD2 3.34Å; L493-D496 PolarHBondContact N-OD2 3.4Å; L493-D496 WeakPolarHBondContact O-CB 3.41Å; L493-D496 PolarHBondContact O-N 3.3Å; G494-D496 PolarHBondContact O-N 3.44Å |
| 497 | F | 95.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | -28.3 | 179.7 | 67 | -80.9 | 0 | 0 | 0 | 114.4 | P363 I365 L366 L447 I492 L493 G494 L499 H500 Y503 L573 | P363-F497 HydrophobicContact CG-CB 3.74Å; I365-F497 HydrophobicContact CG2-CB 4.3Å; L366-F497 HydrophobicContact CD1-CB 4.06Å; L366-F497 HydrophobicContact CD1-CD2 3.97Å; L366-F497 HydrophobicContact CD1-CG 4.08Å; L366-F497 HydrophobicContact CD2-CB 4.27Å; L366-F497 HydrophobicContact CD2-CD1 4.32Å; L366-F497 HydrophobicContact CD2-CG 4.21Å; L366-F497 HydrophobicContact CG-CB 4.04Å; L366-F497 HydrophobicContact CG-CG 4.33Å; L447-F497 HydrophobicContact CD1-CE1 3.61Å; L447-F497 HydrophobicContact CD1-CZ 3.88Å; L447-F497 HydrophobicContact CD2-CZ 4.25Å; I492-F497 HydrophobicContact CD1-CD1 4.22Å; I492-F497 HydrophobicContact CD1-CE1 3.96Å; L493-F497 WeakPolarHBondContact O-CE1 3.4Å; G494-F497 PolarHBondContact O-N 3.03Å; F497-L499 PolarHBondContact O-N 3.46Å; F497-L499 VanDerWaalsContact O-N 3.08Å; F497-H500 PolarHBondContact O-N 3.45Å; F497-H500 VanDerWaalsContact O-N 3.17Å; F497-Y503 AromaticContact CD2-CD2 3.79Å; F497-Y503 HydrophobicContact CD2-CD2 3.79Å; F497-Y503 HydrophobicContact CD2-CE2 4.03Å; F497-Y503 AromaticContact CE2-CD2 3.94Å; F497-Y503 HydrophobicContact CE2-CD2 3.94Å; F497-Y503 AromaticContact CE2-CE2 3.69Å; F497-Y503 HydrophobicContact CE2-CE2 3.69Å; F497-L573 HydrophobicContact CZ-CD1 4.4Å |
| 498 | Q | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -5.4 | -173.6 | -63.4 | 174.1 | -33.7 | 0 | 0 | 114.8 | Y131 I451 G494 Y503 D569 | Y131-Q498 WeakPolarHBondContact CE2-O 3.4Å; Y131-Q498 PolarHBondContact OH-O 2.97Å; I451-Q498 HydrophobicContact CD1-CB 3.92Å; G494-Q498 VanDerWaalsContact C-OE1 3.27Å; G494-Q498 VanDerWaalsContact CA-CD 3.49Å; G494-Q498 WeakPolarHBondContact O-CB 3.23Å; G494-Q498 WeakPolarHBondContact O-CG 3.21Å; G494-Q498 PolarHBondContact O-N 3.36Å; G494-Q498 PolarHBondContact O-OE1 3.13Å; Q498-Y503 HydrophobicContact CB-CD1 4.07Å; Q498-Y503 HydrophobicContact CB-CE1 3.9Å; Q498-Y503 HydrophobicContact CB-CE2 4.4Å; Q498-Y503 HydrophobicContact CB-CG 4.41Å; Q498-Y503 HydrophobicContact CG-CD1 4.48Å; Q498-Y503 HydrophobicContact CG-CD2 4.31Å; Q498-Y503 HydrophobicContact CG-CE1 4.02Å; Q498-Y503 HydrophobicContact CG-CE2 3.8Å; Q498-Y503 WeakPolarHBondContact O-CD1 3.27Å; Q498-D569 VanDerWaalsContact NE2-CG 3.3Å; Q498-D569 PolarHBondContact NE2-OD1 2.93Å; Q498-D569 PolarHBondContact NE2-OD2 3.37Å |
| 499 | L | 95.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -6.6 | 176.8 | -65.4 | 164.7 | 0 | 0 | 0 | 113.5 | E124 M128 Y131 I451 W461 F497 | E124-L499 HydrophobicContact CG-CB 3.6Å; E124-L499 HydrophobicContact CG-CD1 4.08Å; E124-L499 HydrophobicContact CG-CG 4.37Å; M128-L499 HydrophobicContact CB-CD2 4.28Å; Y131-L499 HydrophobicContact CD2-CD2 3.73Å; Y131-L499 HydrophobicContact CE2-CD2 3.8Å; I451-L499 HydrophobicContact CD1-CD2 4.34Å; I451-L499 HydrophobicContact CD1-CG 4.08Å; W461-L499 HydrophobicContact CH2-CD2 4.24Å; F497-L499 PolarHBondContact O-N 3.46Å; F497-L499 VanDerWaalsContact O-N 3.08Å |
| 500 | H | 94.1 | Very high | 94.3 | Very high | 81 Ų | 81 | 13.8 Ų | 13.8 | 38% | 0.375 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -77.3 | 153.3 | 179.9 | -79.9 | -95.9 | 0 | 0 | 0 | 112.5 | P363 F497 E502 Y503 M504 | P363-H500 HydrophobicContact CB-CB 4.21Å; P363-H500 HydrophobicContact CG-CB 4.37Å; F497-H500 PolarHBondContact O-N 3.45Å; F497-H500 VanDerWaalsContact O-N 3.17Å; H500-E502 VanDerWaalsContact C-N 3.29Å; H500-E502 PolarHBondContact O-N 3.02Å; H500-Y503 PolarHBondContact O-N 3.26Å; H500-Y503 VanDerWaalsContact O-N 3.14Å; H500-M504 PolarHBondContact O-N 3.13Å |
| 501 | S | 91.5 | Very high | 94.1 | Very high | 46 Ų | 46 | 13.3 Ų | 13.3 | 32% | 0.322 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -48.1 | -47.9 | -177.9 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | L122 Y503 M504 L505 | L122-S501 VanDerWaalsContact O-CA 3.29Å; L122-S501 WeakPolarHBondContact O-CA 3.5Å; L122-S501 WeakPolarHBondContact O-CB 3.39Å; S501-Y503 PolarHBondContact O-N 2.89Å; S501-M504 PolarHBondContact O-N 3.27Å; S501-L505 WeakPolarHBondContact O-CB 3.39Å; S501-L505 PolarHBondContact O-N 2.83Å |
| 502 | E | 89.3 | Confident | 93.7 | Very high | 32 Ų | 32 | 12.6 Ų | 12.6 | 15% | 0.15 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -73 | -30.3 | -173.2 | -57.8 | -47.3 | 111.8 | 0 | 0 | 113.6 | T359 E361 H500 N506 | T359-E502 WeakPolarHBondContact CB-OE2 3.26Å; T359-E502 PolarHBondContact OG1-OE2 3.15Å; E361-E502 HydrophobicContact CB-CB 4.3Å; E361-E502 HydrophobicContact CB-CG 3.74Å; H500-E502 VanDerWaalsContact C-N 3.29Å; H500-E502 PolarHBondContact O-N 3.02Å; E502-N506 WeakPolarHBondContact O-CB 3.32Å; E502-N506 PolarHBondContact O-N 3.13Å; E502-N506 PolarHBondContact O-ND2 2.94Å |
| 503 | Y | 93.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.9 | -50.2 | 170.2 | -172.9 | -81.2 | 0 | 0 | 0 | 110.3 | Y131 F497 Q498 H500 S501 L505 N506 F507 L565 I568 D569 Q572 | Y131-Y503 WeakPolarHBondContact OH-CE1 3.49Å; F497-Y503 AromaticContact CD2-CD2 3.79Å; F497-Y503 HydrophobicContact CD2-CD2 3.79Å; F497-Y503 HydrophobicContact CD2-CE2 4.03Å; F497-Y503 AromaticContact CE2-CD2 3.94Å; F497-Y503 HydrophobicContact CE2-CD2 3.94Å; F497-Y503 AromaticContact CE2-CE2 3.69Å; F497-Y503 HydrophobicContact CE2-CE2 3.69Å; Q498-Y503 HydrophobicContact CB-CD1 4.07Å; Q498-Y503 HydrophobicContact CB-CE1 3.9Å; Q498-Y503 HydrophobicContact CB-CE2 4.4Å; Q498-Y503 HydrophobicContact CB-CG 4.41Å; Q498-Y503 HydrophobicContact CG-CD1 4.48Å; Q498-Y503 HydrophobicContact CG-CD2 4.31Å; Q498-Y503 HydrophobicContact CG-CE1 4.02Å; Q498-Y503 HydrophobicContact CG-CE2 3.8Å; Q498-Y503 WeakPolarHBondContact O-CD1 3.27Å; H500-Y503 PolarHBondContact O-N 3.26Å; H500-Y503 VanDerWaalsContact O-N 3.14Å; S501-Y503 PolarHBondContact O-N 2.89Å; Y503-L505 VanDerWaalsContact C-N 3.35Å; Y503-L505 PolarHBondContact O-N 3.5Å; Y503-N506 PolarHBondContact O-N 3.42Å; Y503-F507 WeakPolarHBondContact O-CB 3.25Å; Y503-F507 PolarHBondContact O-N 2.98Å; Y503-L565 HydrophobicContact CE1-CD2 3.75Å; Y503-L565 WeakPolarHBondContact OH-CD2 3.27Å; Y503-L565 PolarHBondContact OH-O 2.94Å; Y503-I568 HydrophobicContact CD2-CG2 3.71Å; Y503-I568 HydrophobicContact CE1-CG2 4.43Å; Y503-I568 HydrophobicContact CE2-CB 4.06Å; Y503-I568 HydrophobicContact CE2-CG2 3.42Å; Y503-I568 VanDerWaalsContact CE2-CG2 3.42Å; Y503-I568 HydrophobicContact CG-CG2 4.34Å; Y503-D569 VanDerWaalsContact CE2-OD1 3.31Å; Y503-D569 WeakPolarHBondContact CE2-OD1 3.05Å; Y503-D569 PolarHBondContact OH-OD1 3.44Å; Y503-Q572 HydrophobicContact CD2-CG 4.23Å |
| 504 | M | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68 | -34.1 | -176.9 | -70.6 | -64.3 | -61.1 | 0 | 0 | 112.8 | L122 S127 V130 Y131 H500 S501 F507 Y508 | L122-M504 HydrophobicContact CD2-CB 4.21Å; S127-M504 WeakPolarHBondContact OG-CG 3.39Å; V130-M504 HydrophobicContact CG1-CE 4.2Å; Y131-M504 HydrophobicContact CE2-SD 3.8Å; Y131-M504 PolarHBondContact OH-SD 3.29Å; H500-M504 PolarHBondContact O-N 3.13Å; S501-M504 PolarHBondContact O-N 3.27Å; M504-F507 HydrophobicContact CE-CD1 4.32Å; M504-F507 WeakPolarHBondContact O-CB 3.41Å; M504-F507 PolarHBondContact O-N 3.05Å; M504-Y508 HydrophobicContact CB-CE2 4.44Å; M504-Y508 HydrophobicContact CE-CE1 4.26Å; M504-Y508 HydrophobicContact CE-CE2 4.37Å; M504-Y508 WeakPolarHBondContact O-CD2 2.93Å; M504-Y508 VanDerWaalsContact O-CG 3.29Å; M504-Y508 PolarHBondContact O-N 3.24Å |
| 505 | L | 91.2 | Very high | 92.8 | Very high | 11 Ų | 11 | 14.7 Ų | 14.7 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.2 | -46.6 | 173.7 | 176.4 | 55.3 | 0 | 0 | 0 | 110.9 | W84 L122 S501 Y503 F507 Y508 R509 | W84-L505 HydrophobicContact CH2-CD1 3.25Å; W84-L505 HydrophobicContact CZ2-CD1 3.43Å; W84-L505 VanDerWaalsContact CZ2-CD1 3.43Å; W84-L505 HydrophobicContact CZ2-CD2 4.47Å; W84-L505 HydrophobicContact CZ3-CD1 3.88Å; L122-L505 HydrophobicContact CD1-CB 4.35Å; L122-L505 HydrophobicContact CD1-CD1 4.35Å; L122-L505 HydrophobicContact CD2-CB 3.85Å; S501-L505 WeakPolarHBondContact O-CB 3.39Å; S501-L505 PolarHBondContact O-N 2.83Å; Y503-L505 VanDerWaalsContact C-N 3.35Å; Y503-L505 PolarHBondContact O-N 3.5Å; L505-F507 VanDerWaalsContact C-N 3.29Å; L505-F507 PolarHBondContact O-N 3.03Å; L505-Y508 PolarHBondContact O-N 3.42Å; L505-R509 WeakPolarHBondContact O-CB 3.34Å; L505-R509 VanDerWaalsContact O-CD 3.28Å; L505-R509 WeakPolarHBondContact O-CD 3.35Å; L505-R509 VanDerWaalsContact O-CG 3.22Å; L505-R509 WeakPolarHBondContact O-CG 3.18Å; L505-R509 PolarHBondContact O-N 3.27Å |
| 506 | N | 91.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.8 | -31.1 | 172.9 | -75.8 | -15.8 | 0 | 0 | 0 | 112.5 | F358 T359 E502 Y503 R509 L510 | F358-N506 VanDerWaalsContact CA-OD1 3.31Å; F358-N506 WeakPolarHBondContact CA-OD1 3.39Å; F358-N506 WeakPolarHBondContact CB-OD1 3.14Å; F358-N506 HydrophobicContact CD1-CB 3.92Å; F358-N506 WeakPolarHBondContact CE1-O 3.29Å; T359-N506 PolarHBondContact N-OD1 2.93Å; T359-N506 PolarHBondContact O-ND2 3.39Å; T359-N506 PolarHBondContact OG1-OD1 3.48Å; E502-N506 WeakPolarHBondContact O-CB 3.32Å; E502-N506 PolarHBondContact O-N 3.13Å; E502-N506 PolarHBondContact O-ND2 2.94Å; Y503-N506 PolarHBondContact O-N 3.42Å; N506-R509 PolarHBondContact O-N 3.32Å; N506-R509 PolarHBondContact OD1-NH1 3.15Å; N506-R509 VanDerWaalsContact OD1-NH1 3.08Å; N506-L510 WeakPolarHBondContact O-CB 3.39Å; N506-L510 PolarHBondContact O-N 3.4Å |
| 507 | F | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.2 | -51.7 | 170.9 | 178.5 | -107.9 | 0 | 0 | 0 | 112.1 | M134 L162 Y503 M504 L505 R509 L510 V511 L561 C564 L565 I568 | M134-F507 HydrophobicContact CE-CZ 4.06Å; M134-F507 HydrophobicContact SD-CE1 4.37Å; M134-F507 HydrophobicContact SD-CZ 4.36Å; L162-F507 HydrophobicContact CD1-CE1 3.98Å; L162-F507 HydrophobicContact CD1-CZ 4.33Å; Y503-F507 WeakPolarHBondContact O-CB 3.25Å; Y503-F507 PolarHBondContact O-N 2.98Å; M504-F507 HydrophobicContact CE-CD1 4.32Å; M504-F507 WeakPolarHBondContact O-CB 3.41Å; M504-F507 PolarHBondContact O-N 3.05Å; L505-F507 VanDerWaalsContact C-N 3.29Å; L505-F507 PolarHBondContact O-N 3.03Å; F507-R509 PolarHBondContact O-N 3.39Å; F507-L510 PolarHBondContact O-N 2.81Å; F507-L510 VanDerWaalsContact O-N 3.13Å; F507-V511 HydrophobicContact CD2-CG1 4.22Å; F507-V511 HydrophobicContact CE1-CG1 4.4Å; F507-V511 HydrophobicContact CE2-CG1 3.93Å; F507-V511 HydrophobicContact CZ-CG1 4.04Å; F507-V511 WeakPolarHBondContact O-CG1 3.14Å; F507-V511 WeakPolarHBondContact O-CG2 3.44Å; F507-V511 PolarHBondContact O-N 3.15Å; F507-L561 HydrophobicContact CE2-CD2 3.96Å; F507-L561 HydrophobicContact CZ-CB 4.38Å; F507-L561 HydrophobicContact CZ-CD1 4.1Å; F507-L561 HydrophobicContact CZ-CD2 3.83Å; F507-L561 HydrophobicContact CZ-CG 4.33Å; F507-C564 HydrophobicContact CD2-CB 4.24Å; F507-C564 HydrophobicContact CE2-CB 3.96Å; F507-L565 HydrophobicContact CD2-CD2 3.59Å; F507-L565 HydrophobicContact CD2-CG 4.37Å; F507-L565 HydrophobicContact CE2-CD2 3.57Å; F507-L565 HydrophobicContact CE2-CG 3.98Å; F507-L565 HydrophobicContact CG-CD2 4.39Å; F507-L565 HydrophobicContact CZ-CD2 4.36Å; F507-I568 VanDerWaalsContact CA-CD1 3.48Å; F507-I568 HydrophobicContact CB-CD1 3.86Å; F507-I568 HydrophobicContact CD2-CD1 3.99Å; F507-I568 HydrophobicContact CG-CD1 4.44Å |
| 508 | Y | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.9 | -31.1 | 176.2 | -64.1 | -41.3 | 0 | 0 | 0 | 113.1 | L73 L77 L122 L166 M504 L505 V511 S512 | L73-Y508 HydrophobicContact CD1-CD2 3.91Å; L73-Y508 HydrophobicContact CD1-CG 4.19Å; L73-Y508 HydrophobicContact CD2-CD2 3.74Å; L73-Y508 HydrophobicContact CD2-CE2 3.66Å; L73-Y508 HydrophobicContact CD2-CG 4.44Å; L73-Y508 HydrophobicContact CG-CD2 4.39Å; L77-Y508 HydrophobicContact CD2-CD1 4.32Å; L122-Y508 HydrophobicContact CD2-CD2 3.82Å; L122-Y508 HydrophobicContact CD2-CE2 3.79Å; L166-Y508 HydrophobicContact CD1-CE1 4.07Å; L166-Y508 HydrophobicContact CD2-CE1 4.32Å; M504-Y508 HydrophobicContact CB-CE2 4.44Å; M504-Y508 HydrophobicContact CE-CE1 4.26Å; M504-Y508 HydrophobicContact CE-CE2 4.37Å; M504-Y508 WeakPolarHBondContact O-CD2 2.93Å; M504-Y508 VanDerWaalsContact O-CG 3.29Å; M504-Y508 PolarHBondContact O-N 3.24Å; L505-Y508 PolarHBondContact O-N 3.42Å; Y508-V511 WeakPolarHBondContact O-CG2 3.48Å; Y508-S512 WeakPolarHBondContact O-CB 3.28Å; Y508-S512 PolarHBondContact O-N 2.99Å; Y508-S512 PolarHBondContact O-OG 3.13Å |
| 509 | R | 90.3 | Very high | 91.5 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 5% | 0.045 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.4 | -46.3 | 171.6 | -70.3 | 158.3 | 173 | 174.1 | -10.6 | 112.5 | Y76 M357 F358 T359 L505 N506 F507 S512 | Y76-R509 HydrophobicContact CE1-CB 4.47Å; Y76-R509 HydrophobicContact CE1-CG 3.97Å; Y76-R509 WeakPolarHBondContact OH-CA 3.49Å; M357-R509 WeakPolarHBondContact O-CD 3.27Å; M357-R509 PolarHBondContact O-NE 2.86Å; M357-R509 PolarHBondContact O-NH1 3.38Å; M357-R509 PolarHBondContact O-NH2 3.41Å; F358-R509 HydrophobicContact CD1-CB 3.96Å; F358-R509 HydrophobicContact CE1-CB 3.48Å; F358-R509 VanDerWaalsContact CE1-CB 3.48Å; F358-R509 HydrophobicContact CZ-CB 3.82Å; T359-R509 PolarHBondContact OG1-NH1 3.4Å; T359-R509 VanDerWaalsContact OG1-NH1 3.11Å; L505-R509 WeakPolarHBondContact O-CB 3.34Å; L505-R509 VanDerWaalsContact O-CD 3.28Å; L505-R509 WeakPolarHBondContact O-CD 3.35Å; L505-R509 VanDerWaalsContact O-CG 3.22Å; L505-R509 WeakPolarHBondContact O-CG 3.18Å; L505-R509 PolarHBondContact O-N 3.27Å; N506-R509 PolarHBondContact O-N 3.32Å; N506-R509 PolarHBondContact OD1-NH1 3.15Å; N506-R509 VanDerWaalsContact OD1-NH1 3.08Å; F507-R509 PolarHBondContact O-N 3.39Å; R509-S512 PolarHBondContact O-N 2.93Å |
| 510 | L | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -47.5 | 179.7 | -179.8 | 57.6 | 0 | 0 | 0 | 112.1 | F358 N506 F507 S512 L513 V514 C564 L567 I568 F591 F595 F599 | F358-L510 HydrophobicContact CE1-CB 4.08Å; F358-L510 HydrophobicContact CZ-CB 4.42Å; N506-L510 WeakPolarHBondContact O-CB 3.39Å; N506-L510 PolarHBondContact O-N 3.4Å; F507-L510 PolarHBondContact O-N 2.81Å; F507-L510 VanDerWaalsContact O-N 3.13Å; L510-S512 PolarHBondContact O-N 3.48Å; L510-S512 VanDerWaalsContact O-N 3.14Å; L510-L513 PolarHBondContact O-N 2.98Å; L510-V514 HydrophobicContact CD1-CG2 3.71Å; L510-V514 HydrophobicContact CG-CG2 4.03Å; L510-V514 VanDerWaalsContact O-CG2 3.28Å; L510-V514 WeakPolarHBondContact O-CG2 3.45Å; L510-V514 PolarHBondContact O-N 2.88Å; L510-C564 HydrophobicContact CD2-CB 3.82Å; L510-C564 HydrophobicContact CG-CB 4.4Å; L510-L567 HydrophobicContact CD1-CD2 4.36Å; L510-L567 HydrophobicContact CD2-CB 4.49Å; L510-L567 HydrophobicContact CD2-CD2 4.05Å; L510-I568 HydrophobicContact CB-CD1 4.28Å; L510-I568 HydrophobicContact CD2-CD1 3.84Å; L510-I568 HydrophobicContact CD2-CG1 3.83Å; L510-F591 HydrophobicContact CD2-CE1 4.36Å; L510-F595 HydrophobicContact CD1-CB 4.04Å; L510-F595 HydrophobicContact CD1-CG 4.44Å; L510-F599 HydrophobicContact CB-CZ 4.41Å; L510-F599 HydrophobicContact CD1-CE2 4.07Å; L510-F599 HydrophobicContact CD1-CZ 4.32Å; L510-F599 HydrophobicContact CD2-CZ 4.22Å |
| 511 | V | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.9 | -18.6 | 179.8 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | L77 V158 S159 L162 F507 Y508 L513 L561 C564 | L77-V511 HydrophobicContact CD2-CG2 4.08Å; V158-V511 HydrophobicContact CB-CB 4.42Å; S159-V511 WeakPolarHBondContact CB-O 3.46Å; S159-V511 PolarHBondContact N-O 3.1Å; L162-V511 HydrophobicContact CD1-CB 4.2Å; L162-V511 HydrophobicContact CD1-CG1 4.14Å; L162-V511 HydrophobicContact CD1-CG2 3.79Å; F507-V511 HydrophobicContact CD2-CG1 4.22Å; F507-V511 HydrophobicContact CE1-CG1 4.4Å; F507-V511 HydrophobicContact CE2-CG1 3.93Å; F507-V511 HydrophobicContact CZ-CG1 4.04Å; F507-V511 WeakPolarHBondContact O-CG1 3.14Å; F507-V511 WeakPolarHBondContact O-CG2 3.44Å; F507-V511 PolarHBondContact O-N 3.15Å; Y508-V511 WeakPolarHBondContact O-CG2 3.48Å; V511-L513 VanDerWaalsContact C-N 3.29Å; V511-L561 HydrophobicContact CB-CD2 4.48Å; V511-L561 HydrophobicContact CG1-CD2 3.41Å; V511-L561 VanDerWaalsContact CG1-CD2 3.41Å; V511-C564 HydrophobicContact CG1-CB 4.43Å |
| 512 | S | 90.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3.7 | 173 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | Y508 R509 L510 | Y508-S512 WeakPolarHBondContact O-CB 3.28Å; Y508-S512 PolarHBondContact O-N 2.99Å; Y508-S512 PolarHBondContact O-OG 3.13Å; R509-S512 PolarHBondContact O-N 2.93Å; L510-S512 PolarHBondContact O-N 3.48Å; L510-S512 VanDerWaalsContact O-N 3.14Å |
| 513 | L | 89.4 | Confident | 89.4 | Confident | 36 Ų | 36 | 16 Ų | 16 | 19% | 0.188 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -14.1 | 176.1 | -59.5 | 178 | 0 | 0 | 0 | 113.2 | M80 F358 L510 V511 H598 | M80-L513 HydrophobicContact CE-CD2 3.67Å; M80-L513 HydrophobicContact SD-CD2 4.04Å; F358-L513 HydrophobicContact CE2-CD1 4.1Å; F358-L513 HydrophobicContact CZ-CD1 4.02Å; L510-L513 PolarHBondContact O-N 2.98Å; V511-L513 VanDerWaalsContact C-N 3.29Å; L513-H598 HydrophobicContact CD1-CB 3.94Å |
| 514 | V | 91.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -100 | 121.2 | -171.8 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | L157 V158 L510 C519 F591 F595 | L157-V514 WeakPolarHBondContact CA-O 3.47Å; V158-V514 HydrophobicContact CG2-CG1 4.28Å; V158-V514 PolarHBondContact N-O 2.93Å; L510-V514 HydrophobicContact CD1-CG2 3.71Å; L510-V514 HydrophobicContact CG-CG2 4.03Å; L510-V514 VanDerWaalsContact O-CG2 3.28Å; L510-V514 WeakPolarHBondContact O-CG2 3.45Å; L510-V514 PolarHBondContact O-N 2.88Å; V514-C519 HydrophobicContact CG1-CB 4.46Å; V514-C519 VanDerWaalsContact CG1-SG 3.6Å; V514-F591 HydrophobicContact CG1-CE2 3.85Å; V514-F591 HydrophobicContact CG1-CZ 3.99Å; V514-F591 HydrophobicContact CG2-CE2 4.41Å; V514-F591 HydrophobicContact CG2-CZ 3.86Å; V514-F595 HydrophobicContact CB-CE1 4.32Å; V514-F595 HydrophobicContact CB-CZ 4.2Å; V514-F595 HydrophobicContact CG1-CE2 4.13Å; V514-F595 HydrophobicContact CG1-CZ 4.04Å; V514-F595 HydrophobicContact CG2-CD1 3.8Å; V514-F595 HydrophobicContact CG2-CD2 3.98Å; V514-F595 HydrophobicContact CG2-CE1 3.76Å; V514-F595 HydrophobicContact CG2-CE2 3.95Å; V514-F595 HydrophobicContact CG2-CG 3.93Å; V514-F595 HydrophobicContact CG2-CZ 3.85Å | ||
| 515 | P | 91.4 | Very high | 86 | Confident | 20 Ų | 20 | 19.8 Ų | 19.8 | 13% | 0.13 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -65.3 | 148.3 | 169.4 | -22.2 | 34.8 | 0 | 0 | 0 | 113 | P156 T517 D518 C519 | P156-P515 CarbonylContact O-C 3.55Å; P156-P515 WeakPolarHBondContact O-CA 3.37Å; P515-T517 PolarHBondContact O-N 3.37Å; P515-D518 WeakPolarHBondContact CD-OD2 3.28Å; P515-D518 PolarHBondContact O-N 3.25Å; P515-D518 VanDerWaalsContact O-N 3.16Å; P515-C519 PolarHBondContact O-N 3Å |
| 516 | E | 89.7 | Confident | 83.6 | Confident | 18 Ų | 18 | 21.7 Ų | 21.7 | 8% | 0.084 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53.3 | -39.3 | 174.6 | -70.6 | -170.7 | -139 | 0 | 0 | 112.2 | R143 P156 V158 L161 D518 L520 | R143-E516 IonicContact CZ-OE2 3.82Å; R143-E516 VanDerWaalsContact CZ-OE2 3.31Å; R143-E516 IonicContact NE-OE1 2.63Å; R143-E516 PolarHBondContact NE-OE1 2.94Å; R143-E516 IonicContact NE-OE2 3.51Å; R143-E516 PolarHBondContact NE-OE2 3.41Å; R143-E516 VanDerWaalsContact NE-OE2 3.14Å; R143-E516 IonicContact NH2-OE2 2.89Å; R143-E516 PolarHBondContact NH2-OE2 3.15Å; P156-E516 HydrophobicContact CB-CG 4.35Å; P156-E516 WeakPolarHBondContact CB-OE1 3.14Å; P156-E516 HydrophobicContact CG-CB 4.45Å; P156-E516 HydrophobicContact CG-CG 4.22Å; P156-E516 PolarHBondContact O-N 3.1Å; V158-E516 HydrophobicContact CG2-CG 4.26Å; L161-E516 HydrophobicContact CD1-CG 3.88Å; L161-E516 HydrophobicContact CG-CG 4.32Å; E516-D518 PolarHBondContact O-N 2.92Å; E516-L520 VanDerWaalsContact O-CB 3.25Å; E516-L520 WeakPolarHBondContact O-CB 3.49Å; E516-L520 PolarHBondContact O-N 3.41Å |
| 517 | T | 87.1 | Confident | 80.9 | Confident | 69 Ų | 69 | 28.4 Ų | 28.4 | 42% | 0.423 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65 | -35.1 | -179.3 | 46.1 | 0 | 0 | 0 | 0 | 113.7 | P515 L520 I521 | P515-T517 PolarHBondContact O-N 3.37Å; T517-L520 WeakPolarHBondContact O-CB 3.33Å; T517-L520 PolarHBondContact O-N 3.36Å; T517-I521 WeakPolarHBondContact O-CD1 3.47Å; T517-I521 VanDerWaalsContact O-CG1 3.29Å; T517-I521 WeakPolarHBondContact O-CG1 3.27Å; T517-I521 PolarHBondContact O-N 2.81Å |
| 518 | D | 89.2 | Confident | 77.7 | Confident | 23 Ų | 23 | 34.1 Ų | 34.1 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.6 | -40.3 | -179.7 | -79.3 | -42.7 | 0 | 0 | 0 | 112.3 | P515 E516 L520 S522 K594 F595 | P515-D518 WeakPolarHBondContact CD-OD2 3.28Å; P515-D518 PolarHBondContact O-N 3.25Å; P515-D518 VanDerWaalsContact O-N 3.16Å; E516-D518 PolarHBondContact O-N 2.92Å; D518-L520 VanDerWaalsContact C-N 3.31Å; D518-S522 WeakPolarHBondContact O-CB 3.22Å; D518-S522 PolarHBondContact O-N 3.31Å; D518-S522 PolarHBondContact O-OG 3.29Å; D518-K594 IonicContact OD1-NZ 2.8Å; D518-K594 PolarHBondContact OD1-NZ 3.34Å; D518-F595 HydrophobicContact CB-CE2 3.98Å; D518-F595 HydrophobicContact CB-CZ 3.92Å |
| 519 | C | 88.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 167 | -93.5 | 0 | 0 | 0 | 0 | 111.4 | V158 V514 P515 S523 L560 C564 | V158-C519 HydrophobicContact CG2-CB 4.23Å; V514-C519 HydrophobicContact CG1-CB 4.46Å; V514-C519 VanDerWaalsContact CG1-SG 3.6Å; P515-C519 PolarHBondContact O-N 3Å; C519-S523 WeakPolarHBondContact O-CB 3.37Å; C519-S523 PolarHBondContact O-N 3.45Å; C519-S523 PolarHBondContact O-OG 2.92Å; C519-L560 HydrophobicContact CB-CD1 3.68Å; C519-L560 HydrophobicContact CB-CG 4.04Å; C519-L560 WeakPolarHBondContact CB-O 3.34Å; C519-L560 PolarHBondContact SG-O 3.34Å; C519-C564 VanDerWaalsContact SG-SG 3.67Å |
| 520 | L | 85.5 | Confident | 71.7 | Confident | 48 Ų | 48 | 43.9 Ų | 43.9 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.5 | -45.3 | -180 | -164.5 | 71.6 | 0 | 0 | 0 | 111.8 | E516 T517 D518 K524 P554 L560 | E516-L520 VanDerWaalsContact O-CB 3.25Å; E516-L520 WeakPolarHBondContact O-CB 3.49Å; E516-L520 PolarHBondContact O-N 3.41Å; T517-L520 WeakPolarHBondContact O-CB 3.33Å; T517-L520 PolarHBondContact O-N 3.36Å; D518-L520 VanDerWaalsContact C-N 3.31Å; L520-K524 HydrophobicContact CG-CD 4.29Å; L520-K524 VanDerWaalsContact CG-CE 3.45Å; L520-K524 VanDerWaalsContact O-CD 3.28Å; L520-K524 WeakPolarHBondContact O-CD 3.2Å; L520-K524 WeakPolarHBondContact O-CG 3.45Å; L520-P554 VanDerWaalsContact CD1-CD 3.43Å; L520-P554 HydrophobicContact CD1-CG 3.91Å; L520-L560 HydrophobicContact CB-CD1 4.25Å; L520-L560 HydrophobicContact CD1-CD1 4.11Å |
| 521 | I | 83.3 | Confident | 68.6 | Low | 55 Ų | 55 | 48.9 Ų | 48.9 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.6 | -54.2 | 176.3 | -69.8 | 162 | 0 | 0 | 0 | 110.2 | T517 S523 K524 L525 I547 I590 | T517-I521 WeakPolarHBondContact O-CD1 3.47Å; T517-I521 VanDerWaalsContact O-CG1 3.29Å; T517-I521 WeakPolarHBondContact O-CG1 3.27Å; T517-I521 PolarHBondContact O-N 2.81Å; I521-S523 PolarHBondContact O-N 3.2Å; I521-S523 VanDerWaalsContact O-N 3.14Å; I521-K524 PolarHBondContact O-N 3.22Å; I521-L525 HydrophobicContact CG2-CD1 4.03Å; I521-L525 HydrophobicContact CG2-CG 4.42Å; I521-L525 WeakPolarHBondContact O-CG 3.06Å; I521-I547 HydrophobicContact CD1-CD1 4.05Å; I521-I547 HydrophobicContact CG1-CD1 3.78Å; I521-I590 HydrophobicContact CG2-CG2 4.48Å |
| 522 | S | 82.9 | Confident | 65.4 | Low | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -23.2 | -175.3 | -55 | 0 | 0 | 0 | 0 | 113.2 | D518 K587 F591 | D518-S522 WeakPolarHBondContact O-CB 3.22Å; D518-S522 PolarHBondContact O-N 3.31Å; D518-S522 PolarHBondContact O-OG 3.29Å; S522-K587 WeakPolarHBondContact O-CB 3.16Å; S522-K587 WeakPolarHBondContact O-CD 3.39Å; S522-K587 WeakPolarHBondContact O-CG 3.21Å; S522-F591 WeakPolarHBondContact OG-CD2 3.34Å |
| 523 | S | 75.5 | Confident | 62.3 | Low | 31 Ų | 31 | 64 Ų | 64 | 22% | 0.217 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.9 | -34.1 | 172.7 | -59.8 | 0 | 0 | 0 | 0 | 113 | C519 I521 K587 | C519-S523 WeakPolarHBondContact O-CB 3.37Å; C519-S523 PolarHBondContact O-N 3.45Å; C519-S523 PolarHBondContact O-OG 2.92Å; I521-S523 PolarHBondContact O-N 3.2Å; I521-S523 VanDerWaalsContact O-N 3.14Å; S523-K587 PolarHBondContact O-NZ 3.37Å |
| 524 | K | 65.4 | Low | 59.2 | Low | 25 Ų | 25 | 69 Ų | 69 | 11% | 0.109 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -102.4 | -11.8 | -158.8 | -71.4 | 177.4 | -170.2 | -161.9 | 0 | 117.5 | L520 I521 S526 I552 | L520-K524 HydrophobicContact CG-CD 4.29Å; L520-K524 VanDerWaalsContact CG-CE 3.45Å; L520-K524 VanDerWaalsContact O-CD 3.28Å; L520-K524 WeakPolarHBondContact O-CD 3.2Å; L520-K524 WeakPolarHBondContact O-CG 3.45Å; I521-K524 PolarHBondContact O-N 3.22Å; K524-S526 PolarHBondContact O-N 3.24Å; K524-I552 HydrophobicContact CB-CG2 4.49Å; K524-I552 HydrophobicContact CD-CB 3.98Å; K524-I552 HydrophobicContact CD-CG2 3.83Å; K524-I552 WeakPolarHBondContact CE-O 3.4Å; K524-I552 HydrophobicContact CG-CG2 3.97Å; K524-I552 PolarHBondContact NZ-O 2.9Å |
| 525 | L | 51.2 | Low | 56.1 | Low | 58 Ų | 58 | 74.4 Ų | 74.4 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 65.7 | -175.7 | -65.2 | 149.5 | 0 | 0 | 0 | 114 | I521 K587 I590 | I521-L525 HydrophobicContact CG2-CD1 4.03Å; I521-L525 HydrophobicContact CG2-CG 4.42Å; I521-L525 WeakPolarHBondContact O-CG 3.06Å; L525-K587 HydrophobicContact CB-CG 3.9Å; L525-K587 HydrophobicContact CD1-CG 4.36Å; L525-K587 WeakPolarHBondContact O-CE 3.44Å; L525-I590 HydrophobicContact CD1-CD1 3.6Å; L525-I590 HydrophobicContact CD1-CG2 4.48Å |
| 526 | S | 39.6 | Very low | 53 | Low | 52 Ų | 52 | 79.2 Ų | 79.2 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -158.6 | 10.7 | 176.5 | 54 | 0 | 0 | 0 | 0 | 113.3 | K524 K587 | K524-S526 PolarHBondContact O-N 3.24Å; S526-K587 PolarHBondContact OG-NZ 3.43Å |
| 527 | E | 35.4 | Very low | 50 | Low | 145 Ų | 145 | 84 Ų | 84 | 68% | 0.678 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -127.2 | 3.4 | 175.1 | -66.6 | -179.7 | 166.7 | 0 | 0 | 112.3 | I552 | E527-I552 WeakPolarHBondContact OE2-CG2 3.37Š|
| 528 | F | 28.4 | Very low | 47.2 | Very low | 119 Ų | 119 | 86.8 Ų | 86.8 | 52% | 0.522 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -112 | 146.7 | 169.6 | -71.4 | -82.1 | 0 | 0 | 0 | 109.8 | I552 | F528-I552 HydrophobicContact CD2-CD1 4.49Å; F528-I552 HydrophobicContact CE2-CD1 3.45Å; F528-I552 VanDerWaalsContact CE2-CD1 3.45Å; F528-I552 HydrophobicContact CZ-CD1 3.77Å |
| 529 | D | 28.6 | Very low | 44.4 | Very low | 105 Ų | 105 | 91.9 Ų | 91.9 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | trans | 53.8 | 72.8 | 169 | -59.1 | -24.8 | 0 | 0 | 0 | 118.2 | ||||
| 530 | N | 28.2 | Very low | 41.7 | Very low | 113 Ų | 113 | 99.2 Ų | 99.2 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -80.4 | 7.5 | 147.2 | -100.8 | 3.9 | 0 | 0 | 0 | 112.3 | ||
| 531 | T | 26.1 | Very low | 39 | Very low | 105 Ų | 105 | 103.4 Ų | 103.4 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -138.4 | 46.1 | -165.3 | 51 | 0 | 0 | 0 | 0 | 113.6 | ||
| 532 | N | 25.4 | Very low | 36.3 | Very low | 121 Ų | 121 | 108.1 Ų | 108.1 | 65% | 0.647 | 57% | 0.571 | S | S | * | * | trans | -164.8 | 94.6 | 154.5 | -98.4 | -35.5 | 0 | 0 | 0 | 112.5 | N534 | N532-N534 PolarHBondContact O-N 3.15Š| ||
| 533 | H | 26 | Very low | 33.6 | Very low | 198 Ų | 198 | 114.4 Ų | 114.4 | 92% | 0.917 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -76.7 | 73 | 162 | -89 | -67.8 | 0 | 0 | 0 | 110 | ||
| 534 | N | 23.8 | Very low | 31.3 | Very low | 140 Ų | 140 | 120.2 Ų | 120.2 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | trans | -176.7 | 89.2 | 161.2 | -94 | -21.4 | 0 | 0 | 0 | 109.6 | N532 | N532-N534 PolarHBondContact O-N 3.15Š| ||
| 535 | L | 26 | Very low | 29.6 | Very low | 113 Ų | 113 | 128 Ų | 128 | 59% | 0.592 | 67% | 0.67 | S | S | * | * | trans | -133.6 | 64.9 | 173.7 | -79.6 | 178.3 | 0 | 0 | 0 | 111.3 | T537 I539 | L535-T537 PolarHBondContact O-N 2.96Å; L535-I539 HydrophobicContact CD1-CD1 3.84Å; L535-I539 HydrophobicContact CD2-CD1 3.75Å; L535-I539 HydrophobicContact CD2-CG1 4.31Å; L535-I539 HydrophobicContact CG-CD1 4.36Å | ||
| 536 | D | 26.7 | Very low | 28.6 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 65% | 0.652 | 68% | 0.682 | S | S | * | * | trans | -65.1 | 117.2 | 163.1 | -78.5 | -52.9 | 0 | 0 | 0 | 110.7 | N538 | D536-N538 PolarHBondContact O-N 3.09Å; D536-N538 PolarHBondContact O-ND2 3.31Å | ||
| 537 | T | 27.7 | Very low | 28.3 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 52.6 | -8.9 | 147.2 | 57.3 | 0 | 0 | 0 | 0 | 121.6 | L535 | L535-T537 PolarHBondContact O-N 2.96Š|
| 538 | N | 27.9 | Very low | 28.2 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | trans | -98.3 | -14 | -164.7 | -73.9 | -71.5 | 0 | 0 | 0 | 116.5 | D536 I540 | D536-N538 PolarHBondContact O-N 3.09Å; D536-N538 PolarHBondContact O-ND2 3.31Å; N538-I540 PolarHBondContact O-N 3.09Å | ||
| 539 | I | 29.8 | Very low | 28.4 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 67% | 0.667 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -65.9 | -19.2 | -177.2 | -72.7 | 178.5 | 0 | 0 | 0 | 113.3 | L535 N541 | L535-I539 HydrophobicContact CD1-CD1 3.84Å; L535-I539 HydrophobicContact CD2-CD1 3.75Å; L535-I539 HydrophobicContact CD2-CG1 4.31Å; L535-I539 HydrophobicContact CG-CD1 4.36Å; I539-N541 VanDerWaalsContact C-N 3.33Å; I539-N541 PolarHBondContact O-N 3.22Å |
| 540 | I | 32.5 | Very low | 28.6 | Very low | 154 Ų | 154 | 123 Ų | 123 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -74.3 | -18.3 | -172.5 | -65.7 | 174.6 | 0 | 0 | 0 | 113.4 | N538 | N538-I540 PolarHBondContact O-N 3.09Š|
| 541 | N | 27.9 | Very low | 29 | Very low | 137 Ų | 137 | 122 Ų | 122 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -115.6 | 5 | -164 | -84.2 | -14.9 | 0 | 0 | 0 | 117.2 | I539 | I539-N541 VanDerWaalsContact C-N 3.33Å; I539-N541 PolarHBondContact O-N 3.22Å |
| 542 | N | 27.4 | Very low | 30.1 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | trans | -117.3 | 138.2 | 177 | -91.2 | -32.8 | 0 | 0 | 0 | 113.2 | ||||
| 543 | N | 26.9 | Very low | 31.3 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | -91.5 | 155.6 | -171.4 | -62 | -79.8 | 0 | 0 | 0 | 112.6 | E545 | N543-E545 PolarHBondContact O-N 2.86Š| ||
| 544 | N | 27 | Very low | 32.7 | Very low | 152 Ų | 152 | 111 Ų | 111 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | trans | 70.7 | 17.5 | 155.7 | -57.6 | -21.1 | 0 | 0 | 0 | 119.5 | V546 | N544-V546 PolarHBondContact O-N 3.2Š| ||
| 545 | E | 28.6 | Very low | 34.9 | Very low | 190 Ų | 190 | 108 Ų | 108 | 89% | 0.888 | 58% | 0.577 | S | S | * | * | trans | -73.5 | 122.2 | 162.3 | -65.8 | -154.7 | 146.7 | 0 | 0 | 110.7 | N543 I547 | N543-E545 PolarHBondContact O-N 2.86Å; E545-I547 PolarHBondContact O-N 3.45Å | ||
| 546 | V | 30.6 | Very low | 37.8 | Very low | 90 Ų | 90 | 103.4 Ų | 103.4 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | trans | -90 | 107.6 | -168.9 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | N544 N548 | N544-V546 PolarHBondContact O-N 3.2Å; V546-N548 PolarHBondContact O-N 3.11Å | ||
| 547 | I | 33.8 | Very low | 40.9 | Very low | 88 Ų | 88 | 97.6 Ų | 97.6 | 45% | 0.451 | 52% | 0.523 | S | S | . | . | trans | -58.6 | 122.2 | 168.2 | -58 | 172.5 | 0 | 0 | 0 | 108.5 | I521 E545 E549 | I521-I547 HydrophobicContact CD1-CD1 4.05Å; I521-I547 HydrophobicContact CG1-CD1 3.78Å; E545-I547 PolarHBondContact O-N 3.45Å; I547-E549 PolarHBondContact O-N 3.01Å | ||
| 548 | N | 32.6 | Very low | 43.9 | Very low | 45 Ų | 45 | 92 Ų | 92 | 24% | 0.241 | 49% | 0.488 | C | S | . | . | trans | -59.3 | 111.2 | 176.7 | -89.9 | -22.8 | 0 | 0 | 0 | 110.5 | V546 S550 | V546-N548 PolarHBondContact O-N 3.11Å; N548-S550 VanDerWaalsContact C-N 3.28Å; N548-S550 PolarHBondContact O-N 2.93Å | ||
| 549 | E | 32.5 | Very low | 46.8 | Very low | 121 Ų | 121 | 88.5 Ų | 88.5 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -73 | -17.1 | -171.2 | -68.4 | -159.5 | 168 | 0 | 0 | 114.8 | I547 R553 | I547-E549 PolarHBondContact O-N 3.01Å; E549-R553 WeakPolarHBondContact O-CG 3.49Å; E549-R553 PolarHBondContact O-NE 3.37Å; E549-R553 IonicContact OE2-CZ 2.67Å; E549-R553 IonicContact OE2-NH2 3.01Å; E549-R553 PolarHBondContact OE2-NH2 3.46Å |
| 550 | S | 33.5 | Very low | 49.8 | Very low | 28 Ų | 28 | 82.3 Ų | 82.3 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -78 | -52.9 | -165.2 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | N548 I552 | N548-S550 VanDerWaalsContact C-N 3.28Å; N548-S550 PolarHBondContact O-N 2.93Å; S550-I552 VanDerWaalsContact C-N 3.34Å; S550-I552 PolarHBondContact O-N 3.3Å |
| 551 | S | 37.2 | Very low | 52.7 | Low | 94 Ų | 94 | 75 Ų | 75 | 66% | 0.657 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -9.6 | -161.6 | 47.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 552 | I | 49.3 | Very low | 55.8 | Low | 28 Ų | 28 | 69 Ų | 69 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | 20.9 | -163.6 | -28.4 | 177.7 | 0 | 0 | 0 | 113.5 | K524 E527 F528 S550 | K524-I552 HydrophobicContact CB-CG2 4.49Å; K524-I552 HydrophobicContact CD-CB 3.98Å; K524-I552 HydrophobicContact CD-CG2 3.83Å; K524-I552 WeakPolarHBondContact CE-O 3.4Å; K524-I552 HydrophobicContact CG-CG2 3.97Å; K524-I552 PolarHBondContact NZ-O 2.9Å; E527-I552 WeakPolarHBondContact OE2-CG2 3.37Å; F528-I552 HydrophobicContact CD2-CD1 4.49Å; F528-I552 HydrophobicContact CE2-CD1 3.45Å; F528-I552 VanDerWaalsContact CE2-CD1 3.45Å; F528-I552 HydrophobicContact CZ-CD1 3.77Å; S550-I552 VanDerWaalsContact C-N 3.34Å; S550-I552 PolarHBondContact O-N 3.3Å |
| 553 | R | 49.9 | Very low | 58.9 | Low | 136 Ų | 136 | 62.4 Ų | 62.4 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | trans | -67.5 | 130.3 | -173.8 | -66.5 | -179.1 | 170.8 | 176.7 | -7.6 | 111.3 | E549 | E549-R553 WeakPolarHBondContact O-CG 3.49Å; E549-R553 PolarHBondContact O-NE 3.37Å; E549-R553 IonicContact OE2-CZ 2.67Å; E549-R553 IonicContact OE2-NH2 3.01Å; E549-R553 PolarHBondContact OE2-NH2 3.46Å | ||
| 554 | P | 56.1 | Low | 62.2 | Low | 27 Ų | 27 | 55.9 Ų | 55.9 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | trans | -62.7 | 142.5 | 178.1 | 26.8 | -33.6 | 0 | 0 | 0 | 110.2 | V139 L520 E559 L560 | V139-P554 HydrophobicContact CG2-CG 4.4Å; L520-P554 VanDerWaalsContact CD1-CD 3.43Å; L520-P554 HydrophobicContact CD1-CG 3.91Å; P554-E559 HydrophobicContact CB-CB 4.12Å; P554-L560 HydrophobicContact CG-CB 4.12Å; P554-L560 HydrophobicContact CG-CD1 4.12Å | ||
| 555 | S | 68.4 | Low | 65.4 | Low | 78 Ų | 78 | 48.6 Ų | 48.6 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -76.2 | -34.3 | -167.5 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | E559 | S555-E559 WeakPolarHBondContact CB-OE2 3.45Å; S555-E559 PolarHBondContact N-OE2 3.22Å; S555-E559 PolarHBondContact OG-OE2 3.31Å |
| 556 | T | 86.8 | Confident | 68.5 | Low | 17 Ų | 17 | 41 Ų | 41 | 10% | 0.104 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -124.4 | 159.6 | -178.7 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | A135 T137 L455 G558 E559 L560 | A135-T556 VanDerWaalsContact O-CG2 3.28Å; A135-T556 WeakPolarHBondContact O-CG2 3.4Å; T137-T556 WeakPolarHBondContact O-CA 3.38Å; L455-T556 PolarHBondContact O-OG1 2.66Å; T556-G558 PolarHBondContact O-N 2.87Å; T556-G558 PolarHBondContact OG1-N 2.83Å; T556-E559 PolarHBondContact O-N 3.38Å; T556-E559 PolarHBondContact OG1-N 3.25Å; T556-L560 PolarHBondContact O-N 2.9Å |
| 557 | L | 91.7 | Very high | 71.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -30.9 | 168.7 | 179.4 | 55.2 | 0 | 0 | 0 | 111.3 | T137 A142 L161 L162 L165 L560 L561 | T137-L557 PolarHBondContact O-N 3.39Å; A142-L557 HydrophobicContact CB-CD2 4.18Å; L161-L557 HydrophobicContact CB-CD1 3.73Å; L161-L557 HydrophobicContact CB-CD2 4.11Å; L161-L557 HydrophobicContact CD1-CD1 3.78Å; L161-L557 HydrophobicContact CG-CD1 4.44Å; L161-L557 WeakPolarHBondContact O-CD2 3.26Å; L162-L557 HydrophobicContact CD2-CD2 4.06Å; L165-L557 HydrophobicContact CD1-CD2 4.15Å; L165-L557 HydrophobicContact CD2-CD2 3.78Å; L557-L560 HydrophobicContact CD1-CD2 4.3Å; L557-L560 PolarHBondContact O-N 3.43Å; L557-L561 HydrophobicContact CD1-CD1 3.74Å; L557-L561 HydrophobicContact CD1-CG 4.41Å; L557-L561 HydrophobicContact CG-CD1 3.9Å; L557-L561 PolarHBondContact O-N 2.7Å |
| 558 | G | 91.7 | Very high | 74.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | M134 T556 L561 I562 | M134-G558 PolarHBondContact O-N 3.31Å; T556-G558 PolarHBondContact O-N 2.87Å; T556-G558 PolarHBondContact OG1-N 2.83Å; G558-L561 PolarHBondContact O-N 3.13Å; G558-I562 WeakPolarHBondContact O-CG1 3.39Å |
| 559 | E | 89.3 | Confident | 77.4 | Confident | 53 Ų | 53 | 30.8 Ų | 30.8 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.2 | -72.7 | -172.2 | 129.8 | 0 | 0 | 112.9 | P554 S555 T556 L561 I562 | P554-E559 HydrophobicContact CB-CB 4.12Å; S555-E559 WeakPolarHBondContact CB-OE2 3.45Å; S555-E559 PolarHBondContact N-OE2 3.22Å; S555-E559 PolarHBondContact OG-OE2 3.31Å; T556-E559 PolarHBondContact O-N 3.38Å; T556-E559 PolarHBondContact OG1-N 3.25Å; E559-L561 PolarHBondContact O-N 3.05Å; E559-I562 PolarHBondContact O-N 3.21Å |
| 560 | L | 91.8 | Very high | 80.3 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -30.2 | 179.1 | 179.9 | 66.3 | 0 | 0 | 0 | 112.7 | V139 L161 C519 L520 P554 T556 L557 P563 | V139-L560 HydrophobicContact CG1-CD2 4.22Å; V139-L560 HydrophobicContact CG2-CB 4.22Å; V139-L560 HydrophobicContact CG2-CD2 3.86Å; L161-L560 HydrophobicContact CD1-CD2 3.7Å; C519-L560 HydrophobicContact CB-CD1 3.68Å; C519-L560 HydrophobicContact CB-CG 4.04Å; C519-L560 WeakPolarHBondContact CB-O 3.34Å; C519-L560 PolarHBondContact SG-O 3.34Å; L520-L560 HydrophobicContact CB-CD1 4.25Å; L520-L560 HydrophobicContact CD1-CD1 4.11Å; P554-L560 HydrophobicContact CG-CB 4.12Å; P554-L560 HydrophobicContact CG-CD1 4.12Å; T556-L560 PolarHBondContact O-N 2.9Å; L557-L560 HydrophobicContact CD1-CD2 4.3Å; L557-L560 PolarHBondContact O-N 3.43Å; L560-P563 WeakPolarHBondContact O-CD 3.5Å |
| 561 | L | 93.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -3.5 | -172.9 | -88.4 | 162.6 | 0 | 0 | 0 | 115.1 | M134 V158 L162 F507 V511 L557 G558 E559 P563 C564 L565 | M134-L561 HydrophobicContact CE-CB 3.89Å; M134-L561 HydrophobicContact CE-CD1 3.63Å; M134-L561 HydrophobicContact CE-CG 4.38Å; M134-L561 HydrophobicContact SD-CD1 4.28Å; V158-L561 HydrophobicContact CB-CD2 4.46Å; V158-L561 HydrophobicContact CG1-CD1 4.05Å; V158-L561 HydrophobicContact CG1-CD2 3.46Å; V158-L561 VanDerWaalsContact CG1-CD2 3.46Å; V158-L561 HydrophobicContact CG1-CG 3.75Å; L162-L561 HydrophobicContact CD1-CD1 3.97Å; L162-L561 HydrophobicContact CD2-CD1 3.9Å; L162-L561 HydrophobicContact CG-CD1 4.04Å; F507-L561 HydrophobicContact CE2-CD2 3.96Å; F507-L561 HydrophobicContact CZ-CB 4.38Å; F507-L561 HydrophobicContact CZ-CD1 4.1Å; F507-L561 HydrophobicContact CZ-CD2 3.83Å; F507-L561 HydrophobicContact CZ-CG 4.33Å; V511-L561 HydrophobicContact CB-CD2 4.48Å; V511-L561 HydrophobicContact CG1-CD2 3.41Å; V511-L561 VanDerWaalsContact CG1-CD2 3.41Å; L557-L561 HydrophobicContact CD1-CD1 3.74Å; L557-L561 HydrophobicContact CD1-CG 4.41Å; L557-L561 HydrophobicContact CG-CD1 3.9Å; L557-L561 PolarHBondContact O-N 2.7Å; G558-L561 PolarHBondContact O-N 3.13Å; E559-L561 PolarHBondContact O-N 3.05Å; L561-P563 VanDerWaalsContact C-CD 3.48Å; L561-C564 HydrophobicContact CD2-CB 4.24Å; L561-C564 WeakPolarHBondContact O-CB 3.38Å; L561-C564 PolarHBondContact O-N 3.41Å; L561-C564 VanDerWaalsContact O-N 3.15Å; L561-L565 PolarHBondContact O-N 3.29Å |
| 562 | I | 92.7 | Very high | 85.7 | Confident | 10 Ų | 10 | 21.2 Ų | 21.2 | 5% | 0.051 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.5 | -40.8 | 179.4 | -59.1 | 179.8 | 0 | 0 | 0 | 113 | R456 G558 E559 C564 L565 D566 | R456-I562 HydrophobicContact CG-CD1 3.52Å; R456-I562 VanDerWaalsContact CZ-CD1 3.42Å; G558-I562 WeakPolarHBondContact O-CG1 3.39Å; E559-I562 PolarHBondContact O-N 3.21Å; I562-C564 VanDerWaalsContact C-N 3.25Å; I562-C564 PolarHBondContact O-N 3.19Å; I562-L565 PolarHBondContact O-N 2.97Å; I562-L565 VanDerWaalsContact O-N 3.15Å; I562-D566 WeakPolarHBondContact O-CB 3.42Å; I562-D566 PolarHBondContact O-N 2.97Å |
| 563 | P | 93.5 | Very high | 87.8 | Confident | 15 Ų | 15 | 20 Ų | 20 | 10% | 0.097 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.2 | -34.7 | 176.7 | -26.2 | 36.1 | 0 | 0 | 0 | 114 | L560 L561 L567 F591 | L560-P563 WeakPolarHBondContact O-CD 3.5Å; L561-P563 VanDerWaalsContact C-CD 3.48Å; P563-L567 PolarHBondContact O-N 3.17Å; P563-F591 HydrophobicContact CB-CD1 4.09Å; P563-F591 HydrophobicContact CB-CD2 3.78Å; P563-F591 HydrophobicContact CB-CE1 4.19Å; P563-F591 HydrophobicContact CB-CE2 3.87Å; P563-F591 HydrophobicContact CB-CG 3.89Å; P563-F591 HydrophobicContact CB-CZ 4.08Å; P563-F591 WeakPolarHBondContact O-CD1 3.48Å; P563-F591 WeakPolarHBondContact O-CE1 3.26Å |
| 564 | C | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.1 | -47.4 | 175.7 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | F507 L510 V511 C519 L561 I562 L567 I568 | F507-C564 HydrophobicContact CD2-CB 4.24Å; F507-C564 HydrophobicContact CE2-CB 3.96Å; L510-C564 HydrophobicContact CD2-CB 3.82Å; L510-C564 HydrophobicContact CG-CB 4.4Å; V511-C564 HydrophobicContact CG1-CB 4.43Å; C519-C564 VanDerWaalsContact SG-SG 3.67Å; L561-C564 HydrophobicContact CD2-CB 4.24Å; L561-C564 WeakPolarHBondContact O-CB 3.38Å; L561-C564 PolarHBondContact O-N 3.41Å; L561-C564 VanDerWaalsContact O-N 3.15Å; I562-C564 VanDerWaalsContact C-N 3.25Å; I562-C564 PolarHBondContact O-N 3.19Å; C564-L567 PolarHBondContact O-N 2.92Å; C564-I568 WeakPolarHBondContact O-CD1 3.46Å; C564-I568 VanDerWaalsContact O-CG1 3.31Å; C564-I568 WeakPolarHBondContact O-CG1 3.24Å; C564-I568 PolarHBondContact O-N 3.39Å; C564-I568 VanDerWaalsContact O-N 3.14Å |
| 565 | L | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 178.4 | -60.8 | 172.4 | 0 | 0 | 0 | 111.1 | Y131 L455 Y503 F507 L561 I562 L567 I568 D569 | Y131-L565 HydrophobicContact CE1-CD1 4.28Å; Y131-L565 HydrophobicContact CE1-CD2 4.09Å; L455-L565 HydrophobicContact CD1-CD1 3.38Å; Y503-L565 HydrophobicContact CE1-CD2 3.75Å; Y503-L565 WeakPolarHBondContact OH-CD2 3.27Å; Y503-L565 PolarHBondContact OH-O 2.94Å; F507-L565 HydrophobicContact CD2-CD2 3.59Å; F507-L565 HydrophobicContact CD2-CG 4.37Å; F507-L565 HydrophobicContact CE2-CD2 3.57Å; F507-L565 HydrophobicContact CE2-CG 3.98Å; F507-L565 HydrophobicContact CG-CD2 4.39Å; F507-L565 HydrophobicContact CZ-CD2 4.36Å; L561-L565 PolarHBondContact O-N 3.29Å; I562-L565 PolarHBondContact O-N 2.97Å; I562-L565 VanDerWaalsContact O-N 3.15Å; L565-L567 PolarHBondContact O-N 3.46Å; L565-I568 PolarHBondContact O-N 3.4Å; L565-D569 WeakPolarHBondContact O-CB 3.14Å; L565-D569 PolarHBondContact O-N 2.74Å |
| 566 | D | 94.2 | Very high | 93.1 | Very high | 29 Ų | 29 | 10.7 Ų | 10.7 | 16% | 0.155 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.9 | -27.1 | -177.7 | -133.2 | 8.8 | 0 | 0 | 0 | 112.8 | I562 T570 R578 R588 | I562-D566 WeakPolarHBondContact O-CB 3.42Å; I562-D566 PolarHBondContact O-N 2.97Å; D566-T570 PolarHBondContact O-OG1 3.26Å; D566-R578 PolarHBondContact O-NH2 2.74Å; D566-R578 IonicContact OD1-CZ 3.32Å; D566-R578 IonicContact OD1-NH2 2.78Å; D566-R578 PolarHBondContact OD1-NH2 3.28Å; D566-R588 IonicContact OD1-CZ 2.75Å; D566-R588 IonicContact OD1-NE 3.21Å; D566-R588 IonicContact OD1-NH2 3.84Å; D566-R588 PolarHBondContact OD1-NH2 2.12Å; D566-R588 IonicContact OD2-CZ 3.16Å; D566-R588 IonicContact OD2-NE 2.72Å; D566-R588 PolarHBondContact OD2-NE 3.38Å; D566-R588 IonicContact OD2-NH2 2.7Å; D566-R588 PolarHBondContact OD2-NH2 2.68Å |
| 567 | L | 94.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 10 Ų | 10 | 4% | 0.042 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -74.9 | -50.1 | 170.8 | -179.5 | 60.3 | 0 | 0 | 0 | 111.5 | L510 P563 C564 L565 D569 T570 I571 F591 Q592 F595 L596 F599 | L510-L567 HydrophobicContact CD1-CD2 4.36Å; L510-L567 HydrophobicContact CD2-CB 4.49Å; L510-L567 HydrophobicContact CD2-CD2 4.05Å; P563-L567 PolarHBondContact O-N 3.17Å; C564-L567 PolarHBondContact O-N 2.92Å; L565-L567 PolarHBondContact O-N 3.46Å; L567-D569 VanDerWaalsContact C-N 3.34Å; L567-D569 PolarHBondContact O-N 3.03Å; L567-T570 WeakPolarHBondContact O-CB 3.43Å; L567-T570 PolarHBondContact O-N 3.46Å; L567-T570 VanDerWaalsContact O-N 3.08Å; L567-I571 HydrophobicContact CD1-CD1 3.95Å; L567-I571 HydrophobicContact CD1-CG1 4.47Å; L567-I571 HydrophobicContact CG-CD1 4.01Å; L567-I571 WeakPolarHBondContact O-CG1 3.41Å; L567-I571 PolarHBondContact O-N 3.02Å; L567-I571 VanDerWaalsContact O-N 3.13Å; L567-F591 HydrophobicContact CB-CD1 4.14Å; L567-F591 HydrophobicContact CB-CE1 4.18Å; L567-F591 HydrophobicContact CD2-CD1 3.98Å; L567-F591 HydrophobicContact CD2-CE1 3.88Å; L567-Q592 HydrophobicContact CD1-CB 4.26Å; L567-Q592 HydrophobicContact CD1-CG 4.08Å; L567-F595 HydrophobicContact CD2-CB 3.98Å; L567-L596 HydrophobicContact CD1-CD1 4.5Å; L567-F599 HydrophobicContact CD2-CE2 4Å; L567-F599 HydrophobicContact CG-CE2 4.45Å |
| 568 | I | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | -178.6 | -61 | 161.5 | 0 | 0 | 0 | 110.8 | Y503 F507 L510 C564 L565 T570 I571 Q572 F599 | Y503-I568 HydrophobicContact CD2-CG2 3.71Å; Y503-I568 HydrophobicContact CE1-CG2 4.43Å; Y503-I568 HydrophobicContact CE2-CB 4.06Å; Y503-I568 HydrophobicContact CE2-CG2 3.42Å; Y503-I568 VanDerWaalsContact CE2-CG2 3.42Å; Y503-I568 HydrophobicContact CG-CG2 4.34Å; F507-I568 VanDerWaalsContact CA-CD1 3.48Å; F507-I568 HydrophobicContact CB-CD1 3.86Å; F507-I568 HydrophobicContact CD2-CD1 3.99Å; F507-I568 HydrophobicContact CG-CD1 4.44Å; L510-I568 HydrophobicContact CB-CD1 4.28Å; L510-I568 HydrophobicContact CD2-CD1 3.84Å; L510-I568 HydrophobicContact CD2-CG1 3.83Å; C564-I568 WeakPolarHBondContact O-CD1 3.46Å; C564-I568 VanDerWaalsContact O-CG1 3.31Å; C564-I568 WeakPolarHBondContact O-CG1 3.24Å; C564-I568 PolarHBondContact O-N 3.39Å; C564-I568 VanDerWaalsContact O-N 3.14Å; L565-I568 PolarHBondContact O-N 3.4Å; I568-T570 VanDerWaalsContact C-N 3.27Å; I568-T570 PolarHBondContact O-N 3.47Å; I568-I571 PolarHBondContact O-N 3.38Å; I568-Q572 HydrophobicContact CG2-CG 4.02Å; I568-Q572 WeakPolarHBondContact O-CB 3.4Å; I568-Q572 PolarHBondContact O-N 2.72Å; I568-F599 HydrophobicContact CG1-CE1 4.48Å; I568-F599 HydrophobicContact CG1-CZ 4.17Å |
| 569 | D | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -54.8 | -42.9 | 172 | -71.2 | -9.4 | 0 | 0 | 0 | 111.6 | L447 N449 Q498 Y503 L565 L567 L573 | L447-D569 HydrophobicContact CD2-CB 3.93Å; L447-D569 WeakPolarHBondContact CD2-OD2 3.15Å; N449-D569 PolarHBondContact ND2-OD2 3.37Å; Q498-D569 VanDerWaalsContact NE2-CG 3.3Å; Q498-D569 PolarHBondContact NE2-OD1 2.93Å; Q498-D569 PolarHBondContact NE2-OD2 3.37Å; Y503-D569 VanDerWaalsContact CE2-OD1 3.31Å; Y503-D569 WeakPolarHBondContact CE2-OD1 3.05Å; Y503-D569 PolarHBondContact OH-OD1 3.44Å; L565-D569 WeakPolarHBondContact O-CB 3.14Å; L565-D569 PolarHBondContact O-N 2.74Å; L567-D569 VanDerWaalsContact C-N 3.34Å; L567-D569 PolarHBondContact O-N 3.03Å; D569-L573 VanDerWaalsContact O-CB 3.28Å; D569-L573 WeakPolarHBondContact O-CB 3.36Å; D569-L573 WeakPolarHBondContact O-CD1 3.33Å; D569-L573 WeakPolarHBondContact O-CG 3.29Å; D569-L573 PolarHBondContact O-N 3Å; D569-L573 VanDerWaalsContact O-N 3.17Å |
| 570 | T | 94.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 2% | 0.018 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -67.7 | -37.4 | -179.1 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | D566 L567 I568 S574 A575 R578 T605 | D566-T570 PolarHBondContact O-OG1 3.26Å; L567-T570 WeakPolarHBondContact O-CB 3.43Å; L567-T570 PolarHBondContact O-N 3.46Å; L567-T570 VanDerWaalsContact O-N 3.08Å; I568-T570 VanDerWaalsContact C-N 3.27Å; I568-T570 PolarHBondContact O-N 3.47Å; T570-S574 PolarHBondContact O-N 2.78Å; T570-A575 HydrophobicContact CG2-CB 4.16Å; T570-A575 PolarHBondContact O-N 2.85Å; T570-R578 VanDerWaalsContact OG1-CZ 3.28Å; T570-R578 PolarHBondContact OG1-NE 3.45Å; T570-R578 PolarHBondContact OG1-NH2 3.29Å; T570-R578 VanDerWaalsContact OG1-NH2 3.14Å; T570-T605 HydrophobicContact CG2-CG2 4.04Å |
| 571 | I | 92.5 | Very high | 94.2 | Very high | 30 Ų | 30 | 7.9 Ų | 7.9 | 15% | 0.154 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -78.8 | -46.1 | -178.1 | -63.9 | 171.8 | 0 | 0 | 0 | 111.6 | L567 I568 L573 S574 L596 F599 | L567-I571 HydrophobicContact CD1-CD1 3.95Å; L567-I571 HydrophobicContact CD1-CG1 4.47Å; L567-I571 HydrophobicContact CG-CD1 4.01Å; L567-I571 WeakPolarHBondContact O-CG1 3.41Å; L567-I571 PolarHBondContact O-N 3.02Å; L567-I571 VanDerWaalsContact O-N 3.13Å; I568-I571 PolarHBondContact O-N 3.38Å; I571-L573 VanDerWaalsContact C-N 3.35Å; I571-L573 PolarHBondContact O-N 2.82Å; I571-S574 VanDerWaalsContact O-CA 3.26Å; I571-S574 WeakPolarHBondContact O-CA 3.43Å; I571-S574 PolarHBondContact O-N 3.25Å; I571-S574 PolarHBondContact O-OG 2.81Å; I571-L596 HydrophobicContact CD1-CD1 3.84Å; I571-L596 HydrophobicContact CG1-CD1 4.22Å; I571-F599 HydrophobicContact CD1-CB 3.98Å; I571-F599 HydrophobicContact CD1-CD1 3.67Å; I571-F599 HydrophobicContact CD1-CD2 3.55Å; I571-F599 HydrophobicContact CD1-CE1 3.93Å; I571-F599 HydrophobicContact CD1-CE2 3.83Å; I571-F599 HydrophobicContact CD1-CG 3.46Å; I571-F599 VanDerWaalsContact CD1-CG 3.46Å; I571-F599 HydrophobicContact CD1-CZ 4.01Å; I571-F599 HydrophobicContact CG2-CD1 4.14Å |
| 572 | Q | 91.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 12.8 Ų | 12.8 | 4% | 0.042 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 179.3 | -80.2 | -72.6 | 18.1 | 0 | 0 | 112.5 | E361 K362 L366 Y503 I568 S574 | E361-Q572 PolarHBondContact O-NE2 3.15Å; K362-Q572 WeakPolarHBondContact CE-O 3.44Å; K362-Q572 PolarHBondContact NZ-O 2.92Å; K362-Q572 VanDerWaalsContact NZ-O 3.1Å; L366-Q572 HydrophobicContact CD1-CB 4.09Å; Y503-Q572 HydrophobicContact CD2-CG 4.23Å; I568-Q572 HydrophobicContact CG2-CG 4.02Å; I568-Q572 WeakPolarHBondContact O-CB 3.4Å; I568-Q572 PolarHBondContact O-N 2.72Å; Q572-S574 PolarHBondContact O-N 3.34Å |
| 573 | L | 93.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9.2 | 171.2 | -60.6 | 172.9 | 0 | 0 | 0 | 112.8 | L366 R411 L413 I445 L447 I492 F497 D569 I571 | L366-L573 HydrophobicContact CD1-CD2 4.29Å; L366-L573 HydrophobicContact CD2-CD2 3.51Å; R411-L573 WeakPolarHBondContact CD-O 3.46Å; R411-L573 PolarHBondContact NH1-O 3.17Å; L413-L573 HydrophobicContact CD1-CD1 3.62Å; L413-L573 HydrophobicContact CD2-CB 4.06Å; L413-L573 HydrophobicContact CD2-CD1 3.81Å; L413-L573 HydrophobicContact CG-CD1 4.4Å; I445-L573 HydrophobicContact CD1-CB 4.32Å; I445-L573 HydrophobicContact CG2-CD1 4.24Å; I445-L573 HydrophobicContact CG2-CD2 4.46Å; L447-L573 HydrophobicContact CD2-CD1 4.17Å; I492-L573 HydrophobicContact CD1-CD2 3.78Å; F497-L573 HydrophobicContact CZ-CD1 4.4Å; D569-L573 VanDerWaalsContact O-CB 3.28Å; D569-L573 WeakPolarHBondContact O-CB 3.36Å; D569-L573 WeakPolarHBondContact O-CD1 3.33Å; D569-L573 WeakPolarHBondContact O-CG 3.29Å; D569-L573 PolarHBondContact O-N 3Å; D569-L573 VanDerWaalsContact O-N 3.17Å; I571-L573 VanDerWaalsContact C-N 3.35Å; I571-L573 PolarHBondContact O-N 2.82Å |
| 574 | S | 93.5 | Very high | 93.2 | Very high | 37 Ų | 37 | 18.8 Ų | 18.8 | 26% | 0.259 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 46.4 | 175.7 | -45.1 | 0 | 0 | 0 | 0 | 112.8 | K362 R411 T570 I571 Q572 D576 | K362-S574 PolarHBondContact NZ-OG 3.39Å; R411-S574 WeakPolarHBondContact CD-O 3.45Å; T570-S574 PolarHBondContact O-N 2.78Å; I571-S574 VanDerWaalsContact O-CA 3.26Å; I571-S574 WeakPolarHBondContact O-CA 3.43Å; I571-S574 PolarHBondContact O-N 3.25Å; I571-S574 PolarHBondContact O-OG 2.81Å; Q572-S574 PolarHBondContact O-N 3.34Å; S574-D576 PolarHBondContact O-N 3.43Å |
| 575 | A | 94.9 | Very high | 93 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | trans | -77.5 | 112.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L413 T570 I577 F603 T605 | L413-A575 HydrophobicContact CB-CB 3.51Å; L413-A575 HydrophobicContact CD2-CB 3.69Å; L413-A575 HydrophobicContact CG-CB 4.26Å; T570-A575 HydrophobicContact CG2-CB 4.16Å; T570-A575 PolarHBondContact O-N 2.85Å; A575-I577 PolarHBondContact O-N 3.28Å; A575-F603 WeakPolarHBondContact O-CE2 3.34Å; A575-T605 WeakPolarHBondContact O-CB 3.37Å; A575-T605 WeakPolarHBondContact O-CG2 3.38Å; A575-T605 PolarHBondContact O-OG1 3.17Å | ||
| 576 | D | 95.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -57 | -37.4 | 167.9 | -60.8 | -80.5 | 0 | 0 | 0 | 112.2 | R403 L410 R411 S574 I606 | R403-D576 WeakPolarHBondContact CD-OD1 3.25Å; R403-D576 HydrophobicContact CG-CB 4.49Å; L410-D576 WeakPolarHBondContact CA-OD2 3.36Å; L410-D576 HydrophobicContact CD2-CB 3.85Å; R411-D576 PolarHBondContact N-OD2 2.9Å; R411-D576 PolarHBondContact O-N 3.14Å; S574-D576 PolarHBondContact O-N 3.43Å; D576-I606 PolarHBondContact O-N 3.2Å |
| 577 | I | 96.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.2 | -174.8 | -56.6 | 177.5 | 0 | 0 | 0 | 109.7 | F389 L400 L410 R411 L413 A575 I606 L608 | F389-I577 HydrophobicContact CD1-CD1 4.39Å; F389-I577 HydrophobicContact CE1-CD1 3.45Å; F389-I577 VanDerWaalsContact CE1-CD1 3.45Å; F389-I577 HydrophobicContact CZ-CD1 3.67Å; L400-I577 HydrophobicContact CD2-CD1 3.58Å; L400-I577 HydrophobicContact CD2-CG1 4.35Å; L410-I577 HydrophobicContact CD1-CD1 4.26Å; R411-I577 PolarHBondContact O-N 2.67Å; L413-I577 PolarHBondContact N-O 2.85Å; A575-I577 PolarHBondContact O-N 3.28Å; I577-I606 CarbonylContact C-O 3.54Å; I577-I606 VanDerWaalsContact CA-O 3.29Å; I577-I606 WeakPolarHBondContact CA-O 3.37Å; I577-I606 HydrophobicContact CG1-CB 4.27Å; I577-L608 HydrophobicContact CG2-CB 4.43Å; I577-L608 HydrophobicContact CG2-CD1 3.61Å; I577-L608 HydrophobicContact CG2-CG 3.83Å |
| 578 | R | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.8 | 171 | -171.6 | 72.4 | 132.7 | 146 | 6.6 | 108.8 | L413 S415 D566 T570 T605 I606 H607 L608 | L413-R578 WeakPolarHBondContact O-CA 3.31Å; S415-R578 PolarHBondContact OG-NH1 3.46Å; D566-R578 PolarHBondContact O-NH2 2.74Å; D566-R578 IonicContact OD1-CZ 3.32Å; D566-R578 IonicContact OD1-NH2 2.78Å; D566-R578 PolarHBondContact OD1-NH2 3.28Å; T570-R578 VanDerWaalsContact OG1-CZ 3.28Å; T570-R578 PolarHBondContact OG1-NE 3.45Å; T570-R578 PolarHBondContact OG1-NH2 3.29Å; T570-R578 VanDerWaalsContact OG1-NH2 3.14Å; R578-T605 HydrophobicContact CB-CG2 3.59Å; R578-I606 PolarHBondContact N-O 3.47Å; R578-H607 WeakPolarHBondContact O-CA 3.45Å; R578-L608 PolarHBondContact O-N 2.85Å |
| 579 | L | 96.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.2 | 176.2 | 179.9 | 60.3 | 0 | 0 | 0 | 109.8 | F393 L413 W414 P429 L433 L608 H610 | F393-L579 HydrophobicContact CD1-CD1 4.45Å; F393-L579 HydrophobicContact CE1-CD1 3.5Å; F393-L579 HydrophobicContact CE1-CD2 4.49Å; F393-L579 HydrophobicContact CZ-CD1 3.74Å; F393-L579 HydrophobicContact CZ-CD2 3.98Å; L413-L579 PolarHBondContact O-N 3.44Å; W414-L579 HydrophobicContact CB-CB 4.28Å; W414-L579 VanDerWaalsContact CD1-O 3.31Å; P429-L579 HydrophobicContact CB-CD2 3.88Å; L433-L579 HydrophobicContact CD1-CD2 3.95Å; L433-L579 HydrophobicContact CD2-CD2 3.93Å; L433-L579 HydrophobicContact CG-CD2 3.82Å; L579-L608 WeakPolarHBondContact CA-O 3.36Å; L579-L608 HydrophobicContact CD1-CB 4.11Å; L579-L608 WeakPolarHBondContact CD1-O 3.42Å; L579-H610 HydrophobicContact CD1-CB 4.19Å |
| 580 | A | 94.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | -172.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q584 I585 L608 T609 H610 | A580-Q584 HydrophobicContact CB-CB 3.74Å; A580-I585 HydrophobicContact CB-CD1 3.55Å; A580-I585 HydrophobicContact CB-CG1 3.96Å; A580-L608 PolarHBondContact N-O 3.15Å; A580-L608 VanDerWaalsContact N-O 3.15Å; A580-T609 CarbonylContact O-C 3.5Å; A580-T609 VanDerWaalsContact O-CA 3.26Å; A580-T609 WeakPolarHBondContact O-CA 3.34Å; A580-H610 PolarHBondContact O-CD2 2.99Å; A580-H610 PolarHBondContact O-N 3.18Å |
| 581 | S | 90.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | trans | -73.7 | 157.4 | 164.1 | 61.6 | 0 | 0 | 0 | 0 | 112 | Q583 Q584 I585 | S581-Q583 VanDerWaalsContact C-N 3.33Å; S581-Q583 PolarHBondContact O-N 3.47Å; S581-Q584 PolarHBondContact O-N 2.94Å; S581-Q584 VanDerWaalsContact OG-CD 3.26Å; S581-Q584 WeakPolarHBondContact OG-CG 3.41Å; S581-Q584 PolarHBondContact OG-OE1 2.92Å; S581-I585 PolarHBondContact O-N 3.25Å | ||
| 582 | I | 88.4 | Confident | 91.2 | Very high | 103 Ų | 103 | 30.8 Ų | 30.8 | 53% | 0.528 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -53.3 | -45.3 | -179.3 | -169.3 | 168.9 | 0 | 0 | 0 | 113.2 | Q584 I585 Q586 T609 | I582-Q584 VanDerWaalsContact C-N 3.32Å; I582-Q584 PolarHBondContact O-N 3.2Å; I582-I585 PolarHBondContact O-N 3.29Å; I582-Q586 WeakPolarHBondContact O-CG 3.39Å; I582-Q586 PolarHBondContact O-N 3.01Å; I582-Q586 PolarHBondContact O-OE1 3.08Å; I582-T609 HydrophobicContact CB-CG2 4.15Å; I582-T609 HydrophobicContact CG1-CG2 4.37Å |
| 583 | Q | 84 | Confident | 91 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 34% | 0.341 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.5 | -36.4 | 177.3 | -66.3 | 178.4 | -16.8 | 0 | 0 | 112.6 | S581 K587 | S581-Q583 VanDerWaalsContact C-N 3.33Å; S581-Q583 PolarHBondContact O-N 3.47Å; Q583-K587 VanDerWaalsContact O-CG 3.27Å; Q583-K587 WeakPolarHBondContact O-CG 3.37Å; Q583-K587 PolarHBondContact O-N 3.46Å |
| 584 | Q | 87.6 | Confident | 90.7 | Very high | 78 Ų | 78 | 38.7 Ų | 38.7 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -73.8 | -36.4 | 176.2 | -73.1 | 168.8 | -42.1 | 0 | 0 | 111.8 | A580 S581 I582 R588 | A580-Q584 HydrophobicContact CB-CB 3.74Å; S581-Q584 PolarHBondContact O-N 2.94Å; S581-Q584 VanDerWaalsContact OG-CD 3.26Å; S581-Q584 WeakPolarHBondContact OG-CG 3.41Å; S581-Q584 PolarHBondContact OG-OE1 2.92Å; I582-Q584 VanDerWaalsContact C-N 3.32Å; I582-Q584 PolarHBondContact O-N 3.2Å; Q584-R588 WeakPolarHBondContact O-CB 3.42Å; Q584-R588 WeakPolarHBondContact O-CD 3.45Å; Q584-R588 WeakPolarHBondContact O-CG 3.47Å; Q584-R588 PolarHBondContact O-N 3.11Å |
| 585 | I | 90.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 174.4 | -70.1 | -45.1 | 0 | 0 | 0 | 110.9 | A580 S581 I582 K587 R588 Q589 H607 T609 | A580-I585 HydrophobicContact CB-CD1 3.55Å; A580-I585 HydrophobicContact CB-CG1 3.96Å; S581-I585 PolarHBondContact O-N 3.25Å; I582-I585 PolarHBondContact O-N 3.29Å; I585-K587 PolarHBondContact O-N 3.4Å; I585-R588 PolarHBondContact O-N 3.17Å; I585-R588 VanDerWaalsContact O-N 3.13Å; I585-Q589 HydrophobicContact CG2-CG 4.1Å; I585-Q589 WeakPolarHBondContact O-CB 3.47Å; I585-Q589 WeakPolarHBondContact O-CG 3.36Å; I585-Q589 PolarHBondContact O-N 3.13Å; I585-H607 HydrophobicContact CD1-CB 3.96Å; I585-H607 HydrophobicContact CG1-CB 4.37Å; I585-H607 HydrophobicContact CG2-CB 3.58Å; I585-T609 HydrophobicContact CB-CG2 4.08Å; I585-T609 HydrophobicContact CG1-CG2 3.78Å; I585-T609 HydrophobicContact CG2-CG2 4.35Å |
| 586 | Q | 87.5 | Confident | 90.1 | Very high | 89 Ų | 89 | 38.5 Ų | 38.5 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.7 | -49.3 | 176.8 | -71.5 | 166 | -42.9 | 0 | 0 | 111.8 | I582 R588 Q589 I590 | I582-Q586 WeakPolarHBondContact O-CG 3.39Å; I582-Q586 PolarHBondContact O-N 3.01Å; I582-Q586 PolarHBondContact O-OE1 3.08Å; Q586-R588 VanDerWaalsContact C-N 3.35Å; Q586-R588 PolarHBondContact O-N 3.39Å; Q586-Q589 PolarHBondContact O-N 2.82Å; Q586-I590 WeakPolarHBondContact O-CG1 3.05Å; Q586-I590 PolarHBondContact O-N 2.98Å; Q586-I590 VanDerWaalsContact O-N 3.1Å |
| 587 | K | 87 | Confident | 89.6 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 17% | 0.174 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.8 | -44.3 | 175.3 | -73.4 | 179.1 | -173.9 | -161.7 | 0 | 112.8 | S522 S523 L525 S526 Q583 I585 F591 | S522-K587 WeakPolarHBondContact O-CB 3.16Å; S522-K587 WeakPolarHBondContact O-CD 3.39Å; S522-K587 WeakPolarHBondContact O-CG 3.21Å; S523-K587 PolarHBondContact O-NZ 3.37Å; L525-K587 HydrophobicContact CB-CG 3.9Å; L525-K587 HydrophobicContact CD1-CG 4.36Å; L525-K587 WeakPolarHBondContact O-CE 3.44Å; S526-K587 PolarHBondContact OG-NZ 3.43Å; Q583-K587 VanDerWaalsContact O-CG 3.27Å; Q583-K587 WeakPolarHBondContact O-CG 3.37Å; Q583-K587 PolarHBondContact O-N 3.46Å; I585-K587 PolarHBondContact O-N 3.4Å; K587-F591 PolarHBondContact O-N 2.78Å |
| 588 | R | 90.1 | Very high | 88.9 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.3 | -44 | 179.7 | -74.6 | 167.7 | 176.6 | 178.6 | -5.1 | 112.1 | S415 D566 Q584 I585 Q586 F591 Q592 | S415-R588 PolarHBondContact OG-NH2 2.7Å; D566-R588 IonicContact OD1-CZ 2.75Å; D566-R588 IonicContact OD1-NE 3.21Å; D566-R588 IonicContact OD1-NH2 3.84Å; D566-R588 PolarHBondContact OD1-NH2 2.12Å; D566-R588 IonicContact OD2-CZ 3.16Å; D566-R588 IonicContact OD2-NE 2.72Å; D566-R588 PolarHBondContact OD2-NE 3.38Å; D566-R588 IonicContact OD2-NH2 2.7Å; D566-R588 PolarHBondContact OD2-NH2 2.68Å; Q584-R588 WeakPolarHBondContact O-CB 3.42Å; Q584-R588 WeakPolarHBondContact O-CD 3.45Å; Q584-R588 WeakPolarHBondContact O-CG 3.47Å; Q584-R588 PolarHBondContact O-N 3.11Å; I585-R588 PolarHBondContact O-N 3.17Å; I585-R588 VanDerWaalsContact O-N 3.13Å; Q586-R588 VanDerWaalsContact C-N 3.35Å; Q586-R588 PolarHBondContact O-N 3.39Å; R588-F591 PolarHBondContact O-N 3.35Å; R588-Q592 WeakPolarHBondContact O-CB 3.32Å; R588-Q592 PolarHBondContact O-N 3.33Å |
| 589 | Q | 88.8 | Confident | 88.2 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 42% | 0.416 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 179.4 | -76 | 175.3 | -45.1 | 0 | 0 | 112.2 | I585 Q586 F591 Q592 S593 H607 | I585-Q589 HydrophobicContact CG2-CG 4.1Å; I585-Q589 WeakPolarHBondContact O-CB 3.47Å; I585-Q589 WeakPolarHBondContact O-CG 3.36Å; I585-Q589 PolarHBondContact O-N 3.13Å; Q586-Q589 PolarHBondContact O-N 2.82Å; Q589-F591 VanDerWaalsContact C-N 3.27Å; Q589-F591 PolarHBondContact O-N 2.79Å; Q589-Q592 PolarHBondContact O-N 2.35Å; Q589-S593 WeakPolarHBondContact O-CB 3.31Å; Q589-S593 PolarHBondContact O-N 2.96Å; Q589-S593 PolarHBondContact O-OG 3.26Å; Q589-S593 VanDerWaalsContact O-OG 3.1Å; Q589-H607 HydrophobicContact CG-CB 4.34Å |
| 590 | I | 86.2 | Confident | 87 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 32% | 0.323 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -31 | 179 | -73.1 | 163.8 | 0 | 0 | 0 | 112.3 | I521 L525 Q586 S593 | I521-I590 HydrophobicContact CG2-CG2 4.48Å; L525-I590 HydrophobicContact CD1-CD1 3.6Å; L525-I590 HydrophobicContact CD1-CG2 4.48Å; Q586-I590 WeakPolarHBondContact O-CG1 3.05Å; Q586-I590 PolarHBondContact O-N 2.98Å; Q586-I590 VanDerWaalsContact O-N 3.1Å; I590-S593 PolarHBondContact O-OG 3.15Å |
| 591 | F | 90.4 | Very high | 85.9 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -82.2 | -45.3 | 175 | -162.4 | -101.6 | 0 | 0 | 0 | 112.2 | L510 V514 S522 P563 L567 K587 R588 Q589 S593 K594 F595 | L510-F591 HydrophobicContact CD2-CE1 4.36Å; V514-F591 HydrophobicContact CG1-CE2 3.85Å; V514-F591 HydrophobicContact CG1-CZ 3.99Å; V514-F591 HydrophobicContact CG2-CE2 4.41Å; V514-F591 HydrophobicContact CG2-CZ 3.86Å; S522-F591 WeakPolarHBondContact OG-CD2 3.34Å; P563-F591 HydrophobicContact CB-CD1 4.09Å; P563-F591 HydrophobicContact CB-CD2 3.78Å; P563-F591 HydrophobicContact CB-CE1 4.19Å; P563-F591 HydrophobicContact CB-CE2 3.87Å; P563-F591 HydrophobicContact CB-CG 3.89Å; P563-F591 HydrophobicContact CB-CZ 4.08Å; P563-F591 WeakPolarHBondContact O-CD1 3.48Å; P563-F591 WeakPolarHBondContact O-CE1 3.26Å; L567-F591 HydrophobicContact CB-CD1 4.14Å; L567-F591 HydrophobicContact CB-CE1 4.18Å; L567-F591 HydrophobicContact CD2-CD1 3.98Å; L567-F591 HydrophobicContact CD2-CE1 3.88Å; K587-F591 PolarHBondContact O-N 2.78Å; R588-F591 PolarHBondContact O-N 3.35Å; Q589-F591 VanDerWaalsContact C-N 3.27Å; Q589-F591 PolarHBondContact O-N 2.79Å; F591-S593 PolarHBondContact O-N 2.9Å; F591-K594 PolarHBondContact O-N 3.2Å; F591-F595 HydrophobicContact CD1-CD2 4.08Å; F591-F595 AromaticContact CD2-CD2 3.86Å; F591-F595 HydrophobicContact CD2-CD2 3.86Å; F591-F595 AromaticContact CD2-CE2 3.8Å; F591-F595 HydrophobicContact CD2-CE2 3.8Å; F591-F595 AromaticContact CE1-CD2 3.9Å; F591-F595 HydrophobicContact CE1-CD2 3.9Å; F591-F595 AromaticContact CE2-CD2 3.68Å; F591-F595 HydrophobicContact CE2-CD2 3.68Å; F591-F595 AromaticContact CE2-CE2 3.55Å; F591-F595 HydrophobicContact CE2-CE2 3.55Å; F591-F595 HydrophobicContact CG-CD2 4.06Å; F591-F595 HydrophobicContact CG-CE2 4.44Å; F591-F595 AromaticContact CZ-CD2 3.69Å; F591-F595 HydrophobicContact CZ-CD2 3.69Å; F591-F595 AromaticContact CZ-CE2 3.98Å; F591-F595 HydrophobicContact CZ-CE2 3.98Å; F591-F595 VanDerWaalsContact O-CD2 3.27Å; F591-F595 WeakPolarHBondContact O-CD2 3.15Å; F591-F595 PolarHBondContact O-N 2.72Å |
| 592 | Q | 90.5 | Very high | 85.2 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | -179.2 | -175.3 | 179.8 | -51.7 | 0 | 0 | 111.8 | L567 R588 Q589 K594 F595 L596 H607 | L567-Q592 HydrophobicContact CD1-CB 4.26Å; L567-Q592 HydrophobicContact CD1-CG 4.08Å; R588-Q592 WeakPolarHBondContact O-CB 3.32Å; R588-Q592 PolarHBondContact O-N 3.33Å; Q589-Q592 PolarHBondContact O-N 2.35Å; Q592-K594 PolarHBondContact O-N 3.25Å; Q592-F595 PolarHBondContact O-N 2.81Å; Q592-L596 HydrophobicContact CG-CB 3.87Å; Q592-L596 HydrophobicContact CG-CD1 4.43Å; Q592-L596 HydrophobicContact CG-CD2 3.87Å; Q592-L596 HydrophobicContact CG-CG 4.28Å; Q592-L596 WeakPolarHBondContact O-CB 3.47Å; Q592-L596 PolarHBondContact O-N 3.17Å; Q592-H607 PolarHBondContact NE2-NE2 2.78Å; Q592-H607 PolarHBondContact OE1-CE1 2.91Å; Q592-H607 PolarHBondContact OE1-NE2 2.71Å |
| 593 | S | 87.2 | Confident | 84.8 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 64% | 0.643 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62 | -28.3 | 179.8 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | Q589 I590 F591 | Q589-S593 WeakPolarHBondContact O-CB 3.31Å; Q589-S593 PolarHBondContact O-N 2.96Å; Q589-S593 PolarHBondContact O-OG 3.26Å; Q589-S593 VanDerWaalsContact O-OG 3.1Å; I590-S593 PolarHBondContact O-OG 3.15Å; F591-S593 PolarHBondContact O-N 2.9Å |
| 594 | K | 87.6 | Confident | 84.9 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -82.6 | -43.4 | 176.9 | -63.4 | -172.8 | -178 | -162 | 0 | 112.8 | D518 F591 Q592 | D518-K594 IonicContact OD1-NZ 2.8Å; D518-K594 PolarHBondContact OD1-NZ 3.34Å; F591-K594 PolarHBondContact O-N 3.2Å; Q592-K594 PolarHBondContact O-N 3.25Å |
| 595 | F | 90.6 | Very high | 85.1 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -111.7 | -16.1 | -164.1 | -56.9 | -63.9 | 0 | 0 | 0 | 116.1 | L510 V514 D518 L567 F591 Q592 R597 H598 | L510-F595 HydrophobicContact CD1-CB 4.04Å; L510-F595 HydrophobicContact CD1-CG 4.44Å; V514-F595 HydrophobicContact CB-CE1 4.32Å; V514-F595 HydrophobicContact CB-CZ 4.2Å; V514-F595 HydrophobicContact CG1-CE2 4.13Å; V514-F595 HydrophobicContact CG1-CZ 4.04Å; V514-F595 HydrophobicContact CG2-CD1 3.8Å; V514-F595 HydrophobicContact CG2-CD2 3.98Å; V514-F595 HydrophobicContact CG2-CE1 3.76Å; V514-F595 HydrophobicContact CG2-CE2 3.95Å; V514-F595 HydrophobicContact CG2-CG 3.93Å; V514-F595 HydrophobicContact CG2-CZ 3.85Å; D518-F595 HydrophobicContact CB-CE2 3.98Å; D518-F595 HydrophobicContact CB-CZ 3.92Å; L567-F595 HydrophobicContact CD2-CB 3.98Å; F591-F595 HydrophobicContact CD1-CD2 4.08Å; F591-F595 AromaticContact CD2-CD2 3.86Å; F591-F595 HydrophobicContact CD2-CD2 3.86Å; F591-F595 AromaticContact CD2-CE2 3.8Å; F591-F595 HydrophobicContact CD2-CE2 3.8Å; F591-F595 AromaticContact CE1-CD2 3.9Å; F591-F595 HydrophobicContact CE1-CD2 3.9Å; F591-F595 AromaticContact CE2-CD2 3.68Å; F591-F595 HydrophobicContact CE2-CD2 3.68Å; F591-F595 AromaticContact CE2-CE2 3.55Å; F591-F595 HydrophobicContact CE2-CE2 3.55Å; F591-F595 HydrophobicContact CG-CD2 4.06Å; F591-F595 HydrophobicContact CG-CE2 4.44Å; F591-F595 AromaticContact CZ-CD2 3.69Å; F591-F595 HydrophobicContact CZ-CD2 3.69Å; F591-F595 AromaticContact CZ-CE2 3.98Å; F591-F595 HydrophobicContact CZ-CE2 3.98Å; F591-F595 VanDerWaalsContact O-CD2 3.27Å; F591-F595 WeakPolarHBondContact O-CD2 3.15Å; F591-F595 PolarHBondContact O-N 2.72Å; Q592-F595 PolarHBondContact O-N 2.81Å; F595-R597 PolarHBondContact O-N 3.26Å; F595-H598 PolarHBondContact O-CD2 3.46Å; F595-H598 PolarHBondContact O-N 2.91Å |
| 596 | L | 85.5 | Confident | 85.3 | Confident | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -57.7 | -36.4 | 179.9 | -178.1 | 66.8 | 0 | 0 | 0 | 112.3 | L567 I571 Q592 H598 F599 S602 | L567-L596 HydrophobicContact CD1-CD1 4.5Å; I571-L596 HydrophobicContact CD1-CD1 3.84Å; I571-L596 HydrophobicContact CG1-CD1 4.22Å; Q592-L596 HydrophobicContact CG-CB 3.87Å; Q592-L596 HydrophobicContact CG-CD1 4.43Å; Q592-L596 HydrophobicContact CG-CD2 3.87Å; Q592-L596 HydrophobicContact CG-CG 4.28Å; Q592-L596 WeakPolarHBondContact O-CB 3.47Å; Q592-L596 PolarHBondContact O-N 3.17Å; L596-H598 PolarHBondContact O-N 3.01Å; L596-F599 PolarHBondContact O-N 3.11Å; L596-S602 WeakPolarHBondContact CD1-OG 3.42Å; L596-S602 PolarHBondContact O-OG 3.37Å |
| 597 | R | 84.7 | Confident | 85.6 | Confident | 169 Ų | 169 | 53 Ų | 53 | 64% | 0.638 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -55.4 | -18 | -179.4 | 66.2 | 177.2 | -178.9 | 149.3 | 0.7 | 115.3 | E352 F595 | E352-R597 IonicContact OE1-NH1 3.82Å; E352-R597 PolarHBondContact OE1-NH1 3.19Å; F595-R597 PolarHBondContact O-N 3.26Å |
| 598 | H | 83.1 | Confident | 86 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -85.6 | -13.4 | 178.4 | -57.5 | -67 | 0 | 0 | 0 | 113.6 | F358 L513 F595 L596 | F358-H598 WeakPolarHBondContact CD2-O 3.21Å; F358-H598 HydrophobicContact CE2-CB 3.81Å; F358-H598 WeakPolarHBondContact CE2-O 3.39Å; F358-H598 HydrophobicContact CZ-CB 4.5Å; L513-H598 HydrophobicContact CD1-CB 3.94Å; F595-H598 PolarHBondContact O-CD2 3.46Å; F595-H598 PolarHBondContact O-N 2.91Å; L596-H598 PolarHBondContact O-N 3.01Å |
| 599 | F | 80.4 | Confident | 86.2 | Confident | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -94.3 | 112.7 | -179.6 | -68.8 | -97.4 | 0 | 0 | 0 | 111.1 | F358 L510 L567 I568 I571 L596 S602 | F358-F599 HydrophobicContact CB-CD1 3.94Å; F358-F599 HydrophobicContact CB-CE1 4.32Å; F358-F599 AromaticContact CD1-CD1 3.68Å; F358-F599 HydrophobicContact CD1-CD1 3.68Å; F358-F599 AromaticContact CD1-CE1 3.24Å; F358-F599 HydrophobicContact CD1-CE1 3.24Å; F358-F599 HydrophobicContact CD1-CG 4.5Å; F358-F599 AromaticContact CD1-CZ 3.74Å; F358-F599 HydrophobicContact CD1-CZ 3.74Å; F358-F599 HydrophobicContact CD2-CD1 4.24Å; F358-F599 HydrophobicContact CD2-CE1 4.49Å; F358-F599 HydrophobicContact CD2-CG 4.42Å; F358-F599 HydrophobicContact CE1-CD1 4.23Å; F358-F599 AromaticContact CE1-CE1 3.55Å; F358-F599 HydrophobicContact CE1-CE1 3.55Å; F358-F599 HydrophobicContact CE1-CE2 4.16Å; F358-F599 AromaticContact CE1-CZ 3.5Å; F358-F599 HydrophobicContact CE1-CZ 3.5Å; F358-F599 AromaticContact CG-CD1 3.68Å; F358-F599 HydrophobicContact CG-CD1 3.68Å; F358-F599 AromaticContact CG-CE1 3.77Å; F358-F599 HydrophobicContact CG-CE1 3.77Å; F358-F599 HydrophobicContact CG-CG 4.29Å; F358-F599 HydrophobicContact CG-CZ 4.44Å; F358-F599 HydrophobicContact CZ-CE1 4.33Å; F358-F599 HydrophobicContact CZ-CE2 4.26Å; F358-F599 HydrophobicContact CZ-CZ 4.05Å; L510-F599 HydrophobicContact CB-CZ 4.41Å; L510-F599 HydrophobicContact CD1-CE2 4.07Å; L510-F599 HydrophobicContact CD1-CZ 4.32Å; L510-F599 HydrophobicContact CD2-CZ 4.22Å; L567-F599 HydrophobicContact CD2-CE2 4Å; L567-F599 HydrophobicContact CG-CE2 4.45Å; I568-F599 HydrophobicContact CG1-CE1 4.48Å; I568-F599 HydrophobicContact CG1-CZ 4.17Å; I571-F599 HydrophobicContact CD1-CB 3.98Å; I571-F599 HydrophobicContact CD1-CD1 3.67Å; I571-F599 HydrophobicContact CD1-CD2 3.55Å; I571-F599 HydrophobicContact CD1-CE1 3.93Å; I571-F599 HydrophobicContact CD1-CE2 3.83Å; I571-F599 HydrophobicContact CD1-CG 3.46Å; I571-F599 VanDerWaalsContact CD1-CG 3.46Å; I571-F599 HydrophobicContact CD1-CZ 4.01Å; I571-F599 HydrophobicContact CG2-CD1 4.14Å; L596-F599 PolarHBondContact O-N 3.11Å; F599-S602 WeakPolarHBondContact O-CB 3.35Å; F599-S602 PolarHBondContact O-N 3.41Å; F599-S602 PolarHBondContact O-OG 2.87Å |
| 600 | P | 71.8 | Confident | 86.5 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 142.7 | -176.6 | 31.3 | -36 | 0 | 0 | 0 | 111.6 | T356 S602 | T356-P600 HydrophobicContact CG2-CB 3.81Å; T356-P600 HydrophobicContact CG2-CG 3.92Å; P600-S602 PolarHBondContact O-N 2.75Å |
| 601 | N | 71.3 | Confident | 86.7 | Confident | 150 Ų | 150 | 49.9 Ų | 49.9 | 80% | 0.802 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 5.8 | -174.2 | -50.3 | -26.2 | 0 | 0 | 0 | 114.9 | ||
| 602 | S | 76.8 | Confident | 86.7 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | trans | -70.2 | 155.4 | 167.3 | 76.3 | 0 | 0 | 0 | 0 | 110.3 | L596 F599 P600 | L596-S602 WeakPolarHBondContact CD1-OG 3.42Å; L596-S602 PolarHBondContact O-OG 3.37Å; F599-S602 WeakPolarHBondContact O-CB 3.35Å; F599-S602 PolarHBondContact O-N 3.41Å; F599-S602 PolarHBondContact O-OG 2.87Å; P600-S602 PolarHBondContact O-N 2.75Å | ||
| 603 | F | 80.1 | Confident | 86.7 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 28% | 0.281 | 27% | 0.269 | S | S | . | . | trans | -131.8 | 161 | 179.7 | 55.8 | -108.2 | 0 | 0 | 0 | 110.3 | A575 T605 | A575-F603 WeakPolarHBondContact O-CE2 3.34Å; F603-T605 PolarHBondContact O-N 3.29Å | ||
| 604 | E | 85.5 | Confident | 86.9 | Confident | 118 Ų | 118 | 48.8 Ų | 48.8 | 55% | 0.551 | 24% | 0.242 | S | C | * | . | trans | -66.1 | 99.4 | 175.3 | -176.8 | 178.8 | -139.9 | 0 | 0 | 111 | K402 R403 I606 | K402-E604 IonicContact NZ-OE2 2.68Å; K402-E604 PolarHBondContact NZ-OE2 3.21Å; K402-E604 VanDerWaalsContact NZ-OE2 3.11Å; R403-E604 PolarHBondContact NH2-O 3.3Å; E604-I606 PolarHBondContact O-N 2.95Å | ||
| 605 | T | 92.2 | Very high | 86.9 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 131.4 | 172 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | T570 A575 R578 F603 H607 | T570-T605 HydrophobicContact CG2-CG2 4.04Å; A575-T605 WeakPolarHBondContact O-CB 3.37Å; A575-T605 WeakPolarHBondContact O-CG2 3.38Å; A575-T605 PolarHBondContact O-OG1 3.17Å; R578-T605 HydrophobicContact CB-CG2 3.59Å; F603-T605 PolarHBondContact O-N 3.29Å; T605-H607 PolarHBondContact O-CD2 2.79Å; T605-H607 PolarHBondContact O-N 2.84Å; T605-H607 PolarHBondContact O-NE2 2.8Å |
| 606 | I | 94.2 | Very high | 87 | Confident | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.3 | 174 | -62.2 | 172.3 | 0 | 0 | 0 | 108.4 | L399 L400 R403 D576 I577 R578 E604 L608 | L399-I606 HydrophobicContact CB-CD1 4.24Å; L399-I606 HydrophobicContact CB-CG1 4.43Å; L399-I606 HydrophobicContact CB-CG2 4.25Å; L399-I606 HydrophobicContact CD1-CG2 4.34Å; L399-I606 WeakPolarHBondContact O-CD1 3.35Å; L400-I606 HydrophobicContact CD2-CD1 3.8Å; L400-I606 HydrophobicContact CG-CD1 4.38Å; R403-I606 HydrophobicContact CB-CD1 3.7Å; R403-I606 HydrophobicContact CG-CD1 4.06Å; D576-I606 PolarHBondContact O-N 3.2Å; I577-I606 CarbonylContact C-O 3.54Å; I577-I606 VanDerWaalsContact CA-O 3.29Å; I577-I606 WeakPolarHBondContact CA-O 3.37Å; I577-I606 HydrophobicContact CG1-CB 4.27Å; R578-I606 PolarHBondContact N-O 3.47Å; E604-I606 PolarHBondContact O-N 2.95Å; I606-L608 HydrophobicContact CG2-CD2 3.87Å; I606-L608 HydrophobicContact CG2-CG 4.14Å |
| 607 | H | 94.3 | Very high | 86.9 | Confident | 28 Ų | 28 | 46 Ų | 46 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.3 | 178.1 | -68.5 | -81.1 | 0 | 0 | 0 | 110.2 | R578 I585 Q589 Q592 T605 | R578-H607 WeakPolarHBondContact O-CA 3.45Å; I585-H607 HydrophobicContact CD1-CB 3.96Å; I585-H607 HydrophobicContact CG1-CB 4.37Å; I585-H607 HydrophobicContact CG2-CB 3.58Å; Q589-H607 HydrophobicContact CG-CB 4.34Å; Q592-H607 PolarHBondContact NE2-NE2 2.78Å; Q592-H607 PolarHBondContact OE1-CE1 2.91Å; Q592-H607 PolarHBondContact OE1-NE2 2.71Å; T605-H607 PolarHBondContact O-CD2 2.79Å; T605-H607 PolarHBondContact O-N 2.84Å; T605-H607 PolarHBondContact O-NE2 2.8Å |
| 608 | L | 95.2 | Very high | 86.1 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148 | 175 | -59.3 | -177.4 | 0 | 0 | 0 | 110 | F389 F393 C396 I577 R578 L579 A580 I606 | F389-L608 HydrophobicContact CD1-CD1 4.21Å; F389-L608 HydrophobicContact CE1-CD1 4.36Å; F393-L608 HydrophobicContact CB-CD1 4.23Å; F393-L608 HydrophobicContact CB-CD2 4.38Å; F393-L608 HydrophobicContact CD1-CB 4.16Å; F393-L608 HydrophobicContact CD2-CD1 3.71Å; F393-L608 HydrophobicContact CE1-CB 4.47Å; F393-L608 HydrophobicContact CE2-CD1 4.2Å; F393-L608 HydrophobicContact CG-CB 4.31Å; F393-L608 HydrophobicContact CG-CD1 3.89Å; C396-L608 HydrophobicContact CB-CD2 3.66Å; I577-L608 HydrophobicContact CG2-CB 4.43Å; I577-L608 HydrophobicContact CG2-CD1 3.61Å; I577-L608 HydrophobicContact CG2-CG 3.83Å; R578-L608 PolarHBondContact O-N 2.85Å; L579-L608 WeakPolarHBondContact CA-O 3.36Å; L579-L608 HydrophobicContact CD1-CB 4.11Å; L579-L608 WeakPolarHBondContact CD1-O 3.42Å; A580-L608 PolarHBondContact N-O 3.15Å; A580-L608 VanDerWaalsContact N-O 3.15Å; I606-L608 HydrophobicContact CG2-CD2 3.87Å; I606-L608 HydrophobicContact CG2-CG 4.14Å |
| 609 | T | 94.8 | Very high | 85.1 | Confident | 66 Ų | 66 | 38.6 Ų | 38.6 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147.3 | -178.1 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | F393 A580 I582 I585 | F393-T609 WeakPolarHBondContact CD1-O 3.39Å; F393-T609 WeakPolarHBondContact CE1-O 3.21Å; A580-T609 CarbonylContact O-C 3.5Å; A580-T609 VanDerWaalsContact O-CA 3.26Å; A580-T609 WeakPolarHBondContact O-CA 3.34Å; I582-T609 HydrophobicContact CB-CG2 4.15Å; I582-T609 HydrophobicContact CG1-CG2 4.37Å; I585-T609 HydrophobicContact CB-CG2 4.08Å; I585-T609 HydrophobicContact CG1-CG2 3.78Å; I585-T609 HydrophobicContact CG2-CG2 4.35Å |
| 610 | H | 93.2 | Very high | 83.8 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 11% | 0.106 | 25% | 0.245 | C | C | . | . | trans | -121.7 | 151.4 | 164.4 | 68.6 | 85.3 | 0 | 0 | 0 | 110.3 | W414 I428 P429 L579 A580 | W414-H610 AromaticContact CD1-NE2 3.94Å; W414-H610 AromaticContact NE1-CD2 3.86Å; W414-H610 AromaticContact NE1-NE2 3.21Å; W414-H610 PolarHBondContact NE1-NE2 3.47Å; I428-H610 HydrophobicContact CG2-CB 4.43Å; P429-H610 HydrophobicContact CB-CB 4.46Å; L579-H610 HydrophobicContact CD1-CB 4.19Å; A580-H610 PolarHBondContact O-CD2 2.99Å; A580-H610 PolarHBondContact O-N 3.18Å | ||
| 611 | P | 91.5 | Very high | 82.5 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | trans | -67.7 | 155.7 | 172.2 | 26.8 | -30.4 | 0 | 0 | 0 | 110.8 | I428 W703 | I428-P611 HydrophobicContact CG2-CG 3.98Å; P611-W703 HydrophobicContact CB-CD2 4.07Å; P611-W703 HydrophobicContact CB-CE3 4.45Å; P611-W703 HydrophobicContact CB-CH2 4.34Å; P611-W703 HydrophobicContact CB-CZ2 3.96Å; P611-W703 HydrophobicContact CG-CD2 3.62Å; P611-W703 HydrophobicContact CG-CE3 3.59Å; P611-W703 HydrophobicContact CG-CG 4.23Å; P611-W703 HydrophobicContact CG-CH2 4Å; P611-W703 HydrophobicContact CG-CZ2 4.04Å; P611-W703 HydrophobicContact CG-CZ3 3.79Å | ||
| 612 | I | 89.7 | Confident | 81.3 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 38% | 0.379 | 25% | 0.248 | S | C | . | . | trans | -104.4 | 135.2 | 170.3 | -43.5 | 174.6 | 0 | 0 | 0 | 107.6 | P631 | I612-P631 HydrophobicContact CB-CB 4.24Å; I612-P631 HydrophobicContact CD1-CB 4.14Å; I612-P631 HydrophobicContact CG2-CB 3.66Å | ||
| 613 | L | 91.7 | Very high | 80 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.1 | 172.5 | -165.1 | 63.5 | 0 | 0 | 0 | 110 | L424 I428 M632 D699 I700 V704 | L424-L613 HydrophobicContact CB-CD2 4.44Å; L424-L613 HydrophobicContact CD2-CD2 4.4Å; L424-L613 HydrophobicContact CG-CD2 4.47Å; I428-L613 HydrophobicContact CD1-CB 4.05Å; L613-M632 HydrophobicContact CB-CB 4.46Å; L613-M632 HydrophobicContact CD2-CE 3.55Å; L613-M632 HydrophobicContact CD2-SD 4.02Å; L613-M632 HydrophobicContact CG-CE 3.94Å; L613-M632 WeakPolarHBondContact O-CB 3.45Å; L613-M632 PolarHBondContact O-N 3.34Å; L613-D699 HydrophobicContact CD1-CB 3.94Å; L613-I700 HydrophobicContact CD1-CG1 3.97Å; L613-I700 HydrophobicContact CD2-CG1 4.08Å; L613-I700 HydrophobicContact CG-CG1 4.45Å; L613-V704 HydrophobicContact CD1-CG2 4.3Å; L613-V704 HydrophobicContact CD2-CG2 4.18Å |
| 614 | S | 89.8 | Confident | 78.4 | Confident | 10 Ų | 10 | 51 Ų | 51 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 157.7 | 178.7 | 50 | 0 | 0 | 0 | 0 | 112.7 | M632 P696 D699 | S614-M632 WeakPolarHBondContact O-CE 3.16Å; S614-P696 WeakPolarHBondContact OG-CA 3.49Å; S614-P696 WeakPolarHBondContact OG-CB 3.45Å; S614-D699 WeakPolarHBondContact CB-OD2 3.44Å; S614-D699 PolarHBondContact OG-OD2 3.47Å |
| 615 | S | 89.5 | Confident | 76.5 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 144.3 | 168.7 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | Q617 F629 P630 P696 | S615-Q617 PolarHBondContact O-N 3.18Å; S615-Q617 PolarHBondContact OG-N 3.49Å; S615-Q617 PolarHBondContact OG-O 3.29Å; S615-F629 VanDerWaalsContact O-CD1 3.29Å; S615-F629 WeakPolarHBondContact O-CD1 3.29Å; S615-P630 VanDerWaalsContact CB-O 3.22Å; S615-P630 WeakPolarHBondContact CB-O 3.49Å; S615-P630 PolarHBondContact N-O 2.85Å; S615-P696 VanDerWaalsContact O-CB 3.23Å; S615-P696 WeakPolarHBondContact O-CB 3.28Å; S615-P696 WeakPolarHBondContact O-CG 3.43Å |
| 616 | L | 90.8 | Very high | 74.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -65.8 | -24 | 175.1 | -64.1 | -176.6 | 0 | 0 | 0 | 113.4 | M632 N657 Y658 L659 R681 A685 F686 I700 | L616-M632 HydrophobicContact CD2-CE 4.26Å; L616-M632 HydrophobicContact CG-CE 4.41Å; L616-N657 PolarHBondContact N-O 3.44Å; L616-Y658 WeakPolarHBondContact CD1-O 3.22Å; L616-L659 HydrophobicContact CD1-CD2 3.87Å; L616-L659 HydrophobicContact CD1-CG 4Å; L616-L659 HydrophobicContact CD2-CD1 4.36Å; L616-L659 HydrophobicContact CD2-CG 4.25Å; L616-R681 HydrophobicContact CD1-CB 3.82Å; L616-A685 HydrophobicContact CB-CB 3.98Å; L616-A685 HydrophobicContact CD2-CB 4.11Å; L616-A685 HydrophobicContact CG-CB 4.5Å; L616-A685 CarbonylContact O-C 3.52Å; L616-A685 WeakPolarHBondContact O-CA 3.27Å; L616-A685 WeakPolarHBondContact O-CB 3.37Å; L616-F686 PolarHBondContact O-N 3.43Å; L616-I700 HydrophobicContact CD2-CD1 4.06Å |
| 617 | Q | 83.4 | Confident | 72.8 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -126.2 | 151.4 | -174.7 | -55.8 | -176.7 | 43.8 | 0 | 0 | 112 | S615 F629 E656 N657 | S615-Q617 PolarHBondContact O-N 3.18Å; S615-Q617 PolarHBondContact OG-N 3.49Å; S615-Q617 PolarHBondContact OG-O 3.29Å; Q617-F629 VanDerWaalsContact C-CE1 3.45Å; Q617-E656 PolarHBondContact NE2-O 3.22Å; Q617-N657 WeakPolarHBondContact CB-OD1 3.29Å; Q617-N657 WeakPolarHBondContact CG-OD1 3.39Å; Q617-N657 PolarHBondContact NE2-OD1 3.08Å |
| 618 | A | 69.6 | Low | 71.4 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 146 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | N620 F629 | A618-N620 PolarHBondContact O-N 3.46Å; A618-F629 HydrophobicContact CB-CE1 4.43Å; A618-F629 HydrophobicContact CB-CE2 3.67Å; A618-F629 HydrophobicContact CB-CZ 3.49Å; A618-F629 VanDerWaalsContact CB-CZ 3.49Å |
| 619 | P | 61.1 | Low | 70.3 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 27% | 0.266 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 125.6 | 156 | -20.8 | 32.2 | 0 | 0 | 0 | 109.9 | L626 P630 | P619-L626 HydrophobicContact CB-CD1 4.1Å; P619-L626 HydrophobicContact CG-CD1 3.71Å; P619-L626 HydrophobicContact CG-CD2 4.22Å; P619-P630 HydrophobicContact CG-CG 4.09Å |
| 620 | N | 52.8 | Low | 69.4 | Low | 139 Ų | 139 | 58.4 Ų | 58.4 | 74% | 0.743 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 142.5 | 177.7 | -71.1 | -40.5 | 0 | 0 | 0 | 110.4 | A618 | A618-N620 PolarHBondContact O-N 3.46Š|
| 621 | N | 45.6 | Very low | 68.9 | Low | 101 Ų | 101 | 59.7 Ų | 59.7 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -13.9 | 177.5 | -46.2 | -32.1 | 0 | 0 | 0 | 118.8 | S988 | N621-S988 VanDerWaalsContact CG-OG 3.25Å; N621-S988 VanDerWaalsContact ND2-CB 3.33Å; N621-S988 WeakPolarHBondContact ND2-CB 3.44Å; N621-S988 PolarHBondContact ND2-OG 3.19Å; N621-S988 PolarHBondContact OD1-OG 3.43Å |
| 622 | Q | 46.6 | Very low | 68.8 | Low | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | trans | -116.6 | 35 | -173.5 | -72.5 | -173.3 | -26.2 | 0 | 0 | 115.5 | G624 D625 L626 | Q622-G624 PolarHBondContact O-N 3.24Å; Q622-G624 VanDerWaalsContact O-N 3.13Å; Q622-D625 PolarHBondContact O-N 3.22Å; Q622-L626 HydrophobicContact CB-CD1 4.22Å; Q622-L626 HydrophobicContact CB-CG 4.14Å; Q622-L626 VanDerWaalsContact O-CD1 3.27Å; Q622-L626 WeakPolarHBondContact O-CD1 3.22Å; Q622-L626 WeakPolarHBondContact O-CG 3.23Å; Q622-L626 PolarHBondContact O-N 3.17Å | ||
| 623 | I | 48.4 | Very low | 68.3 | Low | 122 Ų | 122 | 61.1 Ų | 61.1 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.6 | -178.2 | -59.5 | 174.8 | 0 | 0 | 0 | 113 | ||
| 624 | G | 45.7 | Very low | 67.9 | Low | 73 Ų | 73 | 62.1 Ų | 62.1 | 75% | 0.753 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -37.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q622 | Q622-G624 PolarHBondContact O-N 3.24Å; Q622-G624 VanDerWaalsContact O-N 3.13Å |
| 625 | D | 45.9 | Very low | 67.1 | Low | 148 Ų | 148 | 62.8 Ų | 62.8 | 79% | 0.791 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -2.6 | -165.7 | -56.5 | -53.6 | 0 | 0 | 0 | 114.2 | Q622 S627 | Q622-D625 PolarHBondContact O-N 3.22Å; D625-S627 PolarHBondContact O-N 2.95Å |
| 626 | L | 53.3 | Low | 66.2 | Low | 43 Ų | 43 | 64.9 Ų | 64.9 | 23% | 0.225 | 38% | 0.377 | C | S | . | . | trans | -73.1 | 113.5 | 179.1 | -77.3 | 165.9 | 0 | 0 | 0 | 111.3 | P619 Q622 S628 I694 | P619-L626 HydrophobicContact CB-CD1 4.1Å; P619-L626 HydrophobicContact CG-CD1 3.71Å; P619-L626 HydrophobicContact CG-CD2 4.22Å; Q622-L626 HydrophobicContact CB-CD1 4.22Å; Q622-L626 HydrophobicContact CB-CG 4.14Å; Q622-L626 VanDerWaalsContact O-CD1 3.27Å; Q622-L626 WeakPolarHBondContact O-CD1 3.22Å; Q622-L626 WeakPolarHBondContact O-CG 3.23Å; Q622-L626 PolarHBondContact O-N 3.17Å; L626-S628 VanDerWaalsContact C-N 3.26Å; L626-S628 PolarHBondContact O-N 2.87Å; L626-I694 WeakPolarHBondContact O-CD1 3.22Å | ||
| 627 | S | 55.4 | Low | 65.5 | Low | 84 Ų | 84 | 65 Ų | 65 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -73.8 | -15 | 170 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | D625 | D625-S627 PolarHBondContact O-N 2.95Š|
| 628 | S | 64.9 | Low | 64.9 | Low | 51 Ų | 51 | 63.5 Ų | 63.5 | 36% | 0.357 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -161.3 | 157.6 | 179.7 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | L626 | L626-S628 VanDerWaalsContact C-N 3.26Å; L626-S628 PolarHBondContact O-N 2.87Å |
| 629 | F | 72.1 | Confident | 64.8 | Low | 25 Ų | 25 | 66.4 Ų | 66.4 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 149.4 | 167 | -96.8 | -157.3 | 0 | 0 | 0 | 111.4 | S615 Q617 A618 F686 I694 P696 | S615-F629 VanDerWaalsContact O-CD1 3.29Å; S615-F629 WeakPolarHBondContact O-CD1 3.29Å; Q617-F629 VanDerWaalsContact C-CE1 3.45Å; A618-F629 HydrophobicContact CB-CE1 4.43Å; A618-F629 HydrophobicContact CB-CE2 3.67Å; A618-F629 HydrophobicContact CB-CZ 3.49Å; A618-F629 VanDerWaalsContact CB-CZ 3.49Å; F629-F686 HydrophobicContact CE1-CB 3.73Å; F629-F686 HydrophobicContact CE1-CD1 4.23Å; F629-F686 HydrophobicContact CE1-CG 4.17Å; F629-F686 HydrophobicContact CE2-CD1 4.42Å; F629-F686 HydrophobicContact CZ-CB 3.68Å; F629-F686 AromaticContact CZ-CD1 3.63Å; F629-F686 HydrophobicContact CZ-CD1 3.63Å; F629-F686 HydrophobicContact CZ-CD2 4.33Å; F629-F686 HydrophobicContact CZ-CE1 4.34Å; F629-F686 AromaticContact CZ-CG 3.63Å; F629-F686 HydrophobicContact CZ-CG 3.63Å; F629-I694 HydrophobicContact CB-CG2 4.45Å; F629-I694 HydrophobicContact CD1-CG2 4.46Å; F629-I694 HydrophobicContact CD2-CG2 3.14Å; F629-I694 HydrophobicContact CE2-CG2 3.26Å; F629-I694 HydrophobicContact CG-CG2 3.79Å; F629-I694 HydrophobicContact CZ-CG2 4Å; F629-P696 HydrophobicContact CD1-CG 4.24Å; F629-P696 HydrophobicContact CE1-CG 3.95Å |
| 630 | P | 76.9 | Confident | 65.1 | Low | 51 Ų | 51 | 66.6 Ų | 66.6 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 146.6 | 172.9 | 27.4 | -34.2 | 0 | 0 | 0 | 110.7 | S615 P619 | S615-P630 VanDerWaalsContact CB-O 3.22Å; S615-P630 WeakPolarHBondContact CB-O 3.49Å; S615-P630 PolarHBondContact N-O 2.85Å; P619-P630 HydrophobicContact CG-CG 4.09Å |
| 631 | P | 83.5 | Confident | 65.5 | Low | 50 Ų | 50 | 61.5 Ų | 61.5 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 148.2 | 177.8 | 24.3 | -33.2 | 0 | 0 | 0 | 111.7 | I612 K633 | I612-P631 HydrophobicContact CB-CB 4.24Å; I612-P631 HydrophobicContact CD1-CB 4.14Å; I612-P631 HydrophobicContact CG2-CB 3.66Å; P631-K633 PolarHBondContact O-N 2.8Å |
| 632 | M | 87.6 | Confident | 65.9 | Low | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 125.2 | 169.4 | -169.3 | 174.8 | -66.7 | 0 | 0 | 109.4 | H423 L613 S614 L616 Y658 | H423-M632 HydrophobicContact CB-CG 4.5Å; H423-M632 HydrophobicContact CB-SD 3.96Å; H423-M632 PolarHBondContact NE2-O 3.46Å; L613-M632 HydrophobicContact CB-CB 4.46Å; L613-M632 HydrophobicContact CD2-CE 3.55Å; L613-M632 HydrophobicContact CD2-SD 4.02Å; L613-M632 HydrophobicContact CG-CE 3.94Å; L613-M632 WeakPolarHBondContact O-CB 3.45Å; L613-M632 PolarHBondContact O-N 3.34Å; S614-M632 WeakPolarHBondContact O-CE 3.16Å; L616-M632 HydrophobicContact CD2-CE 4.26Å; L616-M632 HydrophobicContact CG-CE 4.41Å; M632-Y658 VanDerWaalsContact CG-CB 3.42Å |
| 633 | K | 80.6 | Confident | 66.5 | Low | 139 Ų | 139 | 58.2 Ų | 58.2 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | trans | -120 | 145.1 | -178.3 | -70.4 | 174.6 | -175.4 | 179.9 | 0 | 110.4 | H423 P631 | H423-K633 VanDerWaalsContact CD2-C 3.45Å; P631-K633 PolarHBondContact O-N 2.8Å | ||
| 634 | S | 81.8 | Confident | 67.4 | Low | 22 Ų | 22 | 56.4 Ų | 56.4 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | trans | -74 | 125.1 | 172 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | L421 H423 H426 | L421-S634 WeakPolarHBondContact O-CB 3.34Å; L421-S634 PolarHBondContact O-OG 2.9Å; H423-S634 PolarHBondContact CD2-N 3.32Å; H423-S634 VanDerWaalsContact CD2-N 3.32Å; H423-S634 PolarHBondContact CD2-OG 2.8Å; H423-S634 PolarHBondContact NE2-N 3.32Å; H423-S634 PolarHBondContact NE2-OG 3.23Å; H426-S634 PolarHBondContact CE1-OG 3.12Å | ||
| 635 | C | 74 | Confident | 68.5 | Low | 24 Ų | 24 | 56.7 Ų | 56.7 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | trans | -119.8 | 155.8 | 177.9 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | G420 L421 I654 Y658 | G420-C635 VanDerWaalsContact CA-O 3.27Å; G420-C635 WeakPolarHBondContact CA-O 3.33Å; L421-C635 PolarHBondContact N-O 2.83Å; L421-C635 VanDerWaalsContact N-O 3.14Å; C635-I654 HydrophobicContact CB-CG2 4.01Å; C635-I654 WeakPolarHBondContact SG-CG2 3.42Å; C635-Y658 HydrophobicContact CB-CE1 3.64Å; C635-Y658 PolarHBondContact O-OH 2.78Å | ||
| 636 | P | 71.5 | Confident | 69.5 | Low | 52 Ų | 52 | 53.7 Ų | 53.7 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | trans | -67.6 | 155.6 | 169.3 | -16.9 | 31.8 | 0 | 0 | 0 | 111.7 | S638 F794 | P636-S638 PolarHBondContact O-N 2.82Å; P636-F794 HydrophobicContact CB-CE1 4.5Å | ||
| 637 | L | 75 | Confident | 70 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | trans | -65 | 123.4 | 176.4 | -77.5 | 158 | 0 | 0 | 0 | 111.9 | L421 S639 R640 C641 E655 E663 P664 L790 F794 | L421-L637 HydrophobicContact CD1-CD1 4.2Å; L421-L637 HydrophobicContact CD1-CD2 3.78Å; L421-L637 HydrophobicContact CD1-CG 3.8Å; L421-L637 HydrophobicContact CD2-CD1 4.44Å; L421-L637 HydrophobicContact CG-CG 4.37Å; L637-S639 VanDerWaalsContact C-N 3.25Å; L637-S639 PolarHBondContact O-N 3.06Å; L637-R640 HydrophobicContact CB-CB 4.19Å; L637-R640 HydrophobicContact CB-CG 3.89Å; L637-R640 HydrophobicContact CD1-CG 4.47Å; L637-R640 CarbonylContact O-C 3.59Å; L637-R640 WeakPolarHBondContact O-CA 3.21Å; L637-R640 PolarHBondContact O-N 3.21Å; L637-C641 PolarHBondContact O-N 2.94Å; L637-C641 PolarHBondContact O-SG 2.96Å; L637-C641 VanDerWaalsContact O-SG 3.37Å; L637-E655 WeakPolarHBondContact CA-OE1 3.49Å; L637-E663 HydrophobicContact CD2-CB 4.37Å; L637-P664 HydrophobicContact CD1-CG 3.9Å; L637-P664 HydrophobicContact CD2-CG 4.27Å; L637-L790 HydrophobicContact CD1-CD2 3.85Å; L637-F794 HydrophobicContact CD1-CG 4.47Å | ||
| 638 | S | 71.9 | Confident | 70.6 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -59.7 | -36.7 | 179.3 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | P636 R640 C641 E655 | P636-S638 PolarHBondContact O-N 2.82Å; S638-R640 PolarHBondContact O-N 3.06Å; S638-R640 VanDerWaalsContact O-N 3.11Å; S638-C641 PolarHBondContact O-N 3.24Å; S638-E655 VanDerWaalsContact CB-CD 3.47Å; S638-E655 WeakPolarHBondContact CB-OE2 3.4Å; S638-E655 PolarHBondContact N-OE1 3.4Å; S638-E655 PolarHBondContact OG-OE1 2.82Å; S638-E655 PolarHBondContact OG-OE2 3.17Å |
| 639 | S | 66.2 | Low | 70.9 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -59 | -18.1 | 172.3 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | L637 | L637-S639 VanDerWaalsContact C-N 3.25Å; L637-S639 PolarHBondContact O-N 3.06Å |
| 640 | R | 67.9 | Low | 70.7 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -118.3 | -3.3 | -178.8 | -46.2 | -165.4 | -177.5 | -142 | -1.5 | 112.9 | L637 S638 N791 F794 L796 | L637-R640 HydrophobicContact CB-CB 4.19Å; L637-R640 HydrophobicContact CB-CG 3.89Å; L637-R640 HydrophobicContact CD1-CG 4.47Å; L637-R640 CarbonylContact O-C 3.59Å; L637-R640 WeakPolarHBondContact O-CA 3.21Å; L637-R640 PolarHBondContact O-N 3.21Å; S638-R640 PolarHBondContact O-N 3.06Å; S638-R640 VanDerWaalsContact O-N 3.11Å; R640-N791 VanDerWaalsContact CZ-OD1 3.29Å; R640-N791 PolarHBondContact NH1-OD1 3.24Å; R640-N791 PolarHBondContact NH2-OD1 3.44Å; R640-F794 WeakPolarHBondContact CD-O 3.31Å; R640-F794 PolarHBondContact NH1-O 2.72Å; R640-L796 HydrophobicContact CG-CD2 3.87Å |
| 641 | C | 59.9 | Low | 70.4 | Confident | 32 Ų | 32 | 58 Ų | 58 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | trans | -65.8 | 135.2 | 174.5 | -73.8 | 0 | 0 | 0 | 0 | 111.6 | L637 S638 K648 A651 | L637-C641 PolarHBondContact O-N 2.94Å; L637-C641 PolarHBondContact O-SG 2.96Å; L637-C641 VanDerWaalsContact O-SG 3.37Å; S638-C641 PolarHBondContact O-N 3.24Å; C641-K648 WeakPolarHBondContact O-CE 3.44Å; C641-A651 HydrophobicContact CB-CB 4.35Å | ||
| 642 | T | 54.8 | Low | 69.9 | Low | 102 Ų | 102 | 57.5 Ų | 57.5 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | trans | -91.3 | 145.3 | 170.4 | 56.1 | 0 | 0 | 0 | 0 | 109.7 | M797 | T642-M797 HydrophobicContact CG2-CG 3.97Å; T642-M797 HydrophobicContact CG2-SD 3.4Å; T642-M797 WeakPolarHBondContact CG2-SD 3.26Å | ||
| 643 | G | 60 | Low | 69.3 | Low | 45 Ų | 45 | 62 Ų | 62 | 46% | 0.464 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 134 | 179.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K648 | G643-K648 WeakPolarHBondContact O-CE 3.38Š|
| 644 | P | 66.1 | Low | 69 | Low | 84 Ų | 84 | 58.3 Ų | 58.3 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | trans | -65.6 | 165.1 | 179.2 | 28.8 | -36 | 0 | 0 | 0 | 112.3 | S646 A647 K648 | P644-S646 PolarHBondContact O-N 2.76Å; P644-A647 HydrophobicContact CG-CB 3.94Å; P644-A647 WeakPolarHBondContact O-CB 3.41Å; P644-A647 PolarHBondContact O-N 3.14Å; P644-K648 PolarHBondContact O-N 3.06Å; P644-K648 VanDerWaalsContact O-N 3.11Å | ||
| 645 | A | 68.2 | Low | 68.9 | Low | 79 Ų | 79 | 58.2 Ų | 58.2 | 65% | 0.653 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -54.5 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A647 K648 T649 | A645-A647 PolarHBondContact O-N 3.18Å; A645-K648 PolarHBondContact O-N 3.17Å; A645-T649 PolarHBondContact O-N 3.08Å; A645-T649 PolarHBondContact O-OG1 3.14Å; A645-T649 VanDerWaalsContact O-OG1 3.09Å |
| 646 | S | 67.9 | Low | 69.2 | Low | 85 Ų | 85 | 57.6 Ų | 57.6 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58 | -43.5 | 174.4 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | P644 T649 L650 | P644-S646 PolarHBondContact O-N 2.76Å; S646-T649 PolarHBondContact O-N 2.82Å; S646-L650 WeakPolarHBondContact O-CB 3.17Å; S646-L650 PolarHBondContact O-N 2.93Å |
| 647 | A | 63.1 | Low | 69.9 | Low | 42 Ų | 42 | 57.3 Ų | 57.3 | 35% | 0.347 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | P644 A645 L650 A651 | P644-A647 HydrophobicContact CG-CB 3.94Å; P644-A647 WeakPolarHBondContact O-CB 3.41Å; P644-A647 PolarHBondContact O-N 3.14Å; A645-A647 PolarHBondContact O-N 3.18Å; A647-L650 PolarHBondContact O-N 3.49Å; A647-A651 WeakPolarHBondContact O-CB 3.28Å; A647-A651 PolarHBondContact O-N 2.89Å |
| 648 | K | 68.5 | Low | 70.6 | Confident | 97 Ų | 97 | 57.2 Ų | 57.2 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 173.9 | -64 | -172.7 | -179.3 | -161.3 | 0 | 112.3 | C641 G643 P644 A645 A651 A652 | C641-K648 WeakPolarHBondContact O-CE 3.44Å; G643-K648 WeakPolarHBondContact O-CE 3.38Å; P644-K648 PolarHBondContact O-N 3.06Å; P644-K648 VanDerWaalsContact O-N 3.11Å; A645-K648 PolarHBondContact O-N 3.17Å; K648-A651 PolarHBondContact O-N 2.93Å; K648-A652 WeakPolarHBondContact O-CB 3.26Å; K648-A652 PolarHBondContact O-N 2.69Å |
| 649 | T | 70.8 | Confident | 71.5 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | A645 S646 A652 L653 | A645-T649 PolarHBondContact O-N 3.08Å; A645-T649 PolarHBondContact O-OG1 3.14Å; A645-T649 VanDerWaalsContact O-OG1 3.09Å; S646-T649 PolarHBondContact O-N 2.82Å; T649-A652 PolarHBondContact O-N 2.86Å; T649-L653 HydrophobicContact CG2-CD1 4.3Å; T649-L653 WeakPolarHBondContact O-CG 3.33Å; T649-L653 PolarHBondContact O-N 2.74Å |
| 650 | L | 68.1 | Low | 72.8 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.9 | -176.6 | 62.2 | 0 | 0 | 0 | 111.4 | S646 A647 A652 L653 I654 | S646-L650 WeakPolarHBondContact O-CB 3.17Å; S646-L650 PolarHBondContact O-N 2.93Å; A647-L650 PolarHBondContact O-N 3.49Å; L650-A652 VanDerWaalsContact C-N 3.35Å; L650-A652 PolarHBondContact O-N 3.13Å; L650-L653 PolarHBondContact O-N 3.2Å; L650-I654 HydrophobicContact CD1-CD1 4.21Å; L650-I654 HydrophobicContact CG-CD1 3.91Å; L650-I654 WeakPolarHBondContact O-CB 3.43Å; L650-I654 VanDerWaalsContact O-CG1 3.26Å; L650-I654 WeakPolarHBondContact O-CG1 3.19Å; L650-I654 PolarHBondContact O-N 3.43Å |
| 651 | A | 70 | Confident | 74.1 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C641 A647 K648 I654 E655 | C641-A651 HydrophobicContact CB-CB 4.35Å; A647-A651 WeakPolarHBondContact O-CB 3.28Å; A647-A651 PolarHBondContact O-N 2.89Å; K648-A651 PolarHBondContact O-N 2.93Å; A651-I654 PolarHBondContact O-N 3.08Å; A651-E655 PolarHBondContact O-N 3.17Å |
| 652 | A | 74.9 | Confident | 75.7 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.3 | -27.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K648 T649 L650 | K648-A652 WeakPolarHBondContact O-CB 3.26Å; K648-A652 PolarHBondContact O-N 2.69Å; T649-A652 PolarHBondContact O-N 2.86Å; L650-A652 VanDerWaalsContact C-N 3.35Å; L650-A652 PolarHBondContact O-N 3.13Å |
| 653 | L | 74.2 | Confident | 77.3 | Confident | 101 Ų | 101 | 44.4 Ų | 44.4 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.8 | -43.1 | 169.2 | -73.3 | 166.8 | 0 | 0 | 0 | 111 | T649 L650 E655 E656 | T649-L653 HydrophobicContact CG2-CD1 4.3Å; T649-L653 WeakPolarHBondContact O-CG 3.33Å; T649-L653 PolarHBondContact O-N 2.74Å; L650-L653 PolarHBondContact O-N 3.2Å; L653-E655 VanDerWaalsContact C-N 3.32Å; L653-E655 PolarHBondContact O-N 3.23Å; L653-E656 PolarHBondContact O-N 3.06Å |
| 654 | I | 74.2 | Confident | 78.5 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 32% | 0.323 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 176.5 | -70.5 | 167.1 | 0 | 0 | 0 | 111.5 | C635 L650 A651 E656 N657 Y658 | C635-I654 HydrophobicContact CB-CG2 4.01Å; C635-I654 WeakPolarHBondContact SG-CG2 3.42Å; L650-I654 HydrophobicContact CD1-CD1 4.21Å; L650-I654 HydrophobicContact CG-CD1 3.91Å; L650-I654 WeakPolarHBondContact O-CB 3.43Å; L650-I654 VanDerWaalsContact O-CG1 3.26Å; L650-I654 WeakPolarHBondContact O-CG1 3.19Å; L650-I654 PolarHBondContact O-N 3.43Å; A651-I654 PolarHBondContact O-N 3.08Å; I654-E656 VanDerWaalsContact C-N 3.25Å; I654-E656 PolarHBondContact O-N 3.47Å; I654-N657 WeakPolarHBondContact O-CB 3.32Å; I654-N657 PolarHBondContact O-N 3.35Å; I654-N657 VanDerWaalsContact O-N 3.08Å; I654-Y658 WeakPolarHBondContact O-CD1 3.15Å; I654-Y658 WeakPolarHBondContact O-CE1 3.26Å |
| 655 | E | 78.6 | Confident | 79.2 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.8 | -42 | 171.7 | -85.9 | 180 | 156.5 | 0 | 0 | 111.9 | L637 S638 A651 L653 N657 Y658 R681 | L637-E655 WeakPolarHBondContact CA-OE1 3.49Å; S638-E655 VanDerWaalsContact CB-CD 3.47Å; S638-E655 WeakPolarHBondContact CB-OE2 3.4Å; S638-E655 PolarHBondContact N-OE1 3.4Å; S638-E655 PolarHBondContact OG-OE1 2.82Å; S638-E655 PolarHBondContact OG-OE2 3.17Å; A651-E655 PolarHBondContact O-N 3.17Å; L653-E655 VanDerWaalsContact C-N 3.32Å; L653-E655 PolarHBondContact O-N 3.23Å; E655-N657 PolarHBondContact O-N 2.84Å; E655-N657 VanDerWaalsContact O-N 3.12Å; E655-Y658 PolarHBondContact O-N 3.21Å; E655-R681 PolarHBondContact O-NH1 2.69Å |
| 656 | E | 82.1 | Confident | 79.5 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 1.5 | -178.8 | -65.8 | -73.3 | 93.9 | 0 | 0 | 114 | Q617 L653 I654 R680 R681 R684 | Q617-E656 PolarHBondContact NE2-O 3.22Å; L653-E656 PolarHBondContact O-N 3.06Å; I654-E656 VanDerWaalsContact C-N 3.25Å; I654-E656 PolarHBondContact O-N 3.47Å; E656-R680 IonicContact OE1-CZ 3.14Å; E656-R680 IonicContact OE1-NE 2.64Å; E656-R680 PolarHBondContact OE1-NE 3.48Å; E656-R680 IonicContact OE1-NH2 3.4Å; E656-R680 PolarHBondContact OE1-NH2 3.25Å; E656-R680 WeakPolarHBondContact OE2-CD 3.43Å; E656-R680 IonicContact OE2-CZ 3.31Å; E656-R680 IonicContact OE2-NE 3.08Å; E656-R680 PolarHBondContact OE2-NE 3.12Å; E656-R681 IonicContact OE1-CZ 3.13Å; E656-R684 WeakPolarHBondContact OE2-CD 3.29Å; E656-R684 IonicContact OE2-CZ 2.86Å; E656-R684 IonicContact OE2-NE 3.95Å; E656-R684 IonicContact OE2-NH1 3.98Å; E656-R684 PolarHBondContact OE2-NH1 2.99Å |
| 657 | N | 84.5 | Confident | 79.7 | Confident | 46 Ų | 46 | 44 Ų | 44 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -2.2 | 178.4 | -65.2 | -12.4 | 0 | 0 | 0 | 113.6 | L616 Q617 I654 E655 | L616-N657 PolarHBondContact N-O 3.44Å; Q617-N657 WeakPolarHBondContact CB-OD1 3.29Å; Q617-N657 WeakPolarHBondContact CG-OD1 3.39Å; Q617-N657 PolarHBondContact NE2-OD1 3.08Å; I654-N657 WeakPolarHBondContact O-CB 3.32Å; I654-N657 PolarHBondContact O-N 3.35Å; I654-N657 VanDerWaalsContact O-N 3.08Å; E655-N657 PolarHBondContact O-N 2.84Å; E655-N657 VanDerWaalsContact O-N 3.12Å |
| 658 | Y | 89.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -142.4 | 177.1 | 179.6 | 63.7 | -86.4 | 0 | 0 | 0 | 113.8 | H423 L616 M632 C635 I654 E655 P660 R681 | H423-Y658 HydrophobicContact CB-CD2 4.05Å; L616-Y658 WeakPolarHBondContact CD1-O 3.22Å; M632-Y658 VanDerWaalsContact CG-CB 3.42Å; C635-Y658 HydrophobicContact CB-CE1 3.64Å; C635-Y658 PolarHBondContact O-OH 2.78Å; I654-Y658 WeakPolarHBondContact O-CD1 3.15Å; I654-Y658 WeakPolarHBondContact O-CE1 3.26Å; E655-Y658 PolarHBondContact O-N 3.21Å; Y658-P660 HydrophobicContact CD2-CB 4.31Å; Y658-P660 HydrophobicContact CD2-CG 4.33Å; Y658-P660 HydrophobicContact CE2-CB 3.95Å; Y658-P660 HydrophobicContact CE2-CG 4.04Å; Y658-R681 PolarHBondContact O-NH1 3.45Å |
| 659 | L | 92.6 | Very high | 80.5 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | trans | -119.1 | 90.1 | 177.6 | -66.1 | 175.5 | 0 | 0 | 0 | 109.8 | H423 L424 L616 L675 L678 R681 I682 I700 L764 | H423-L659 CarbonylContact C-O 3.49Å; H423-L659 WeakPolarHBondContact CA-O 3.49Å; H423-L659 VanDerWaalsContact CB-O 3.25Å; H423-L659 WeakPolarHBondContact CB-O 3.16Å; L424-L659 HydrophobicContact CB-CB 3.87Å; L424-L659 HydrophobicContact CB-CD1 4.41Å; L424-L659 HydrophobicContact CD2-CB 4.49Å; L424-L659 HydrophobicContact CD2-CD1 3.54Å; L424-L659 PolarHBondContact N-O 3.2Å; L616-L659 HydrophobicContact CD1-CD2 3.87Å; L616-L659 HydrophobicContact CD1-CG 4Å; L616-L659 HydrophobicContact CD2-CD1 4.36Å; L616-L659 HydrophobicContact CD2-CG 4.25Å; L659-L675 HydrophobicContact CB-CD2 4.35Å; L659-L678 HydrophobicContact CD1-CD1 4.49Å; L659-L678 HydrophobicContact CD2-CD1 4.14Å; L659-R681 HydrophobicContact CD2-CB 3.57Å; L659-R681 HydrophobicContact CD2-CG 4.28Å; L659-I682 HydrophobicContact CD1-CD1 4.13Å; L659-I700 HydrophobicContact CD1-CD1 3.77Å; L659-L764 HydrophobicContact CD1-CD1 4.45Å | ||
| 660 | P | 93 | Very high | 80.7 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -64.8 | 138.7 | 175.4 | 23.3 | -27.6 | 0 | 0 | 0 | 111.1 | L421 Y658 E663 | L421-P660 HydrophobicContact CB-CB 4.22Å; L421-P660 HydrophobicContact CD1-CB 4.14Å; Y658-P660 HydrophobicContact CD2-CB 4.31Å; Y658-P660 HydrophobicContact CD2-CG 4.33Å; Y658-P660 HydrophobicContact CE2-CB 3.95Å; Y658-P660 HydrophobicContact CE2-CG 4.04Å; P660-E663 HydrophobicContact CB-CB 4.28Å; P660-E663 HydrophobicContact CG-CB 4.12Å; P660-E663 VanDerWaalsContact CG-CD 3.49Å; P660-E663 HydrophobicContact CG-CG 3.95Å; P660-E663 VanDerWaalsContact CG-OE2 3.27Å; P660-E663 WeakPolarHBondContact CG-OE2 3.43Å |
| 661 | L | 94.8 | Very high | 81 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -69.6 | -40.6 | 178.7 | -65.8 | 172.2 | 0 | 0 | 0 | 111.7 | P422 L424 I474 L478 P674 L675 L776 | P422-L661 HydrophobicContact CB-CD1 4.14Å; P422-L661 WeakPolarHBondContact O-CB 3.46Å; P422-L661 WeakPolarHBondContact O-CG 3.49Å; P422-L661 PolarHBondContact O-N 2.98Å; L424-L661 HydrophobicContact CD1-CD2 4.35Å; I474-L661 HydrophobicContact CG2-CB 4.2Å; I474-L661 HydrophobicContact CG2-CD1 4Å; L478-L661 HydrophobicContact CD2-CD1 3.78Å; L661-P674 CarbonylContact O-C 3.52Å; L661-P674 VanDerWaalsContact O-CA 3.28Å; L661-P674 WeakPolarHBondContact O-CA 3.49Å; L661-P674 WeakPolarHBondContact O-CB 3.27Å; L661-L675 HydrophobicContact CD2-CD2 4.1Å; L661-L675 PolarHBondContact O-N 3.26Å; L661-L776 HydrophobicContact CB-CD2 4.19Å; L661-L776 HydrophobicContact CD2-CD2 4.09Å |
| 662 | I | 93.6 | Very high | 81.7 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -136.8 | 128.5 | 173 | -62.5 | -66.6 | 0 | 0 | 0 | 107.7 | F470 I474 P674 L780 W783 L786 M787 L790 | F470-I662 HydrophobicContact CZ-CG2 4.46Å; I474-I662 HydrophobicContact CD1-CB 4.16Å; I474-I662 HydrophobicContact CD1-CG1 3.66Å; I662-P674 HydrophobicContact CD1-CB 4.05Å; I662-P674 HydrophobicContact CD1-CG 4.06Å; I662-L780 HydrophobicContact CD1-CD1 3.79Å; I662-L780 HydrophobicContact CG1-CD1 3.92Å; I662-W783 HydrophobicContact CD1-CH2 4.11Å; I662-W783 HydrophobicContact CD1-CZ3 3.66Å; I662-W783 HydrophobicContact CG2-CH2 4.44Å; I662-L786 HydrophobicContact CD1-CD1 4.26Å; I662-M787 HydrophobicContact CG2-CE 3.85Å; I662-L790 HydrophobicContact CG2-CD1 4.32Å |
| 663 | E | 88.8 | Confident | 82.4 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | trans | -140.3 | 164.2 | 167.6 | 65.9 | 175.9 | 178.5 | 0 | 0 | 109.3 | L421 L637 P660 P676 R681 | L421-E663 HydrophobicContact CD1-CB 3.72Å; L637-E663 HydrophobicContact CD2-CB 4.37Å; P660-E663 HydrophobicContact CB-CB 4.28Å; P660-E663 HydrophobicContact CG-CB 4.12Å; P660-E663 VanDerWaalsContact CG-CD 3.49Å; P660-E663 HydrophobicContact CG-CG 3.95Å; P660-E663 VanDerWaalsContact CG-OE2 3.27Å; P660-E663 WeakPolarHBondContact CG-OE2 3.43Å; E663-P676 HydrophobicContact CG-CB 3.66Å; E663-P676 HydrophobicContact CG-CG 3.65Å; E663-R681 IonicContact OE1-CZ 3.59Å; E663-R681 IonicContact OE1-NE 3.35Å; E663-R681 PolarHBondContact OE1-NE 2.78Å; E663-R681 IonicContact OE1-NH2 2.81Å; E663-R681 PolarHBondContact OE1-NH2 2.97Å; E663-R681 IonicContact OE2-CZ 2.7Å; E663-R681 IonicContact OE2-NH2 3.2Å; E663-R681 PolarHBondContact OE2-NH2 2.87Å | ||
| 664 | P | 84.4 | Confident | 83.3 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 144.3 | 176 | -20.6 | 34.1 | 0 | 0 | 0 | 111.3 | L637 M787 L790 | L637-P664 HydrophobicContact CD1-CG 3.9Å; L637-P664 HydrophobicContact CD2-CG 4.27Å; P664-M787 HydrophobicContact CB-SD 4.48Å; P664-L790 HydrophobicContact CG-CD1 4.16Å; P664-L790 HydrophobicContact CG-CD2 3.7Å |
| 665 | P | 80.6 | Confident | 84.2 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 29% | 0.292 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 142.9 | 173.9 | 26.8 | -34.2 | 0 | 0 | 0 | 110.6 | ||
| 666 | L | 76 | Confident | 84.5 | Confident | 75 Ų | 75 | 39.4 Ų | 39.4 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -60.6 | 147.5 | 176.7 | -65.9 | 161.7 | 0 | 0 | 0 | 110.6 | G668 S669 R680 | L666-G668 PolarHBondContact O-N 3.48Å; L666-G668 VanDerWaalsContact O-N 3.11Å; L666-S669 VanDerWaalsContact O-CB 3.29Å; L666-S669 WeakPolarHBondContact O-CB 3.49Å; L666-S669 PolarHBondContact O-N 2.78Å; L666-R680 VanDerWaalsContact CD2-NH1 3.32Å |
| 667 | P | 70.8 | Confident | 84.7 | Confident | 137 Ų | 137 | 39.2 Ų | 39.2 | 89% | 0.89 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 120 | 176 | -27.3 | 35.5 | 0 | 0 | 0 | 112 | ||
| 668 | G | 73.2 | Confident | 85.1 | Confident | 89 Ų | 89 | 37.4 Ų | 37.4 | 92% | 0.918 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | -3.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L666 | L666-G668 PolarHBondContact O-N 3.48Å; L666-G668 VanDerWaalsContact O-N 3.11Å |
| 669 | S | 75.4 | Confident | 85.2 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | trans | -88.4 | 139.1 | 171.9 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | L666 E671 | L666-S669 VanDerWaalsContact O-CB 3.29Å; L666-S669 WeakPolarHBondContact O-CB 3.49Å; L666-S669 PolarHBondContact O-N 2.78Å; S669-E671 WeakPolarHBondContact OG-CB 3.08Å; S669-E671 PolarHBondContact OG-N 3.06Å | ||
| 670 | T | 74.9 | Confident | 85.1 | Confident | 139 Ų | 139 | 47.1 Ų | 47.1 | 85% | 0.853 | 28% | 0.277 | S | S | * | . | trans | -97.7 | 13.4 | 170.9 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | K672 | T670-K672 PolarHBondContact O-N 2.99Š| ||
| 671 | E | 75.1 | Confident | 85 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | trans | -71.8 | 81 | -176.3 | -170.5 | 174.7 | -143.2 | 0 | 0 | 112.2 | S669 S673 G677 | S669-E671 WeakPolarHBondContact OG-CB 3.08Å; S669-E671 PolarHBondContact OG-N 3.06Å; E671-S673 WeakPolarHBondContact CG-OG 3.39Å; E671-S673 PolarHBondContact O-N 3.11Å; E671-G677 PolarHBondContact OE2-N 2.67Å | ||
| 672 | K | 85.3 | Confident | 85 | Confident | 98 Ų | 98 | 47 Ų | 47 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | trans | -84.9 | 73.5 | 167.1 | -66.4 | -165.8 | 175.9 | -164.3 | 0 | 110.7 | T670 W783 D784 | T670-K672 PolarHBondContact O-N 2.99Å; K672-W783 HydrophobicContact CB-CB 4.37Å; K672-W783 HydrophobicContact CB-CD2 3.8Å; K672-W783 HydrophobicContact CB-CE3 4.32Å; K672-W783 HydrophobicContact CB-CG 3.79Å; K672-W783 HydrophobicContact CD-CB 3.98Å; K672-W783 HydrophobicContact CD-CG 3.74Å; K672-W783 HydrophobicContact CG-CD2 4.17Å; K672-W783 HydrophobicContact CG-CG 3.81Å; K672-D784 IonicContact NZ-OD1 2.93Å; K672-D784 PolarHBondContact NZ-OD1 2.85Å; K672-D784 IonicContact NZ-OD2 2.78Å; K672-D784 PolarHBondContact NZ-OD2 3.29Å | ||
| 673 | S | 89.2 | Confident | 85 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -152.9 | 153.7 | 178.4 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | E671 P676 W783 | E671-S673 WeakPolarHBondContact CG-OG 3.39Å; E671-S673 PolarHBondContact O-N 3.11Å; S673-P676 WeakPolarHBondContact O-CD 3.48Å; S673-P676 WeakPolarHBondContact O-CG 3.45Å; S673-W783 VanDerWaalsContact C-CZ3 3.43Å; S673-W783 WeakPolarHBondContact O-CH2 3.41Å |
| 674 | P | 93.2 | Very high | 85 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -61.7 | 156.6 | 173.5 | -19.9 | 32.5 | 0 | 0 | 0 | 113.4 | L661 I662 A773 L776 K777 | L661-P674 CarbonylContact O-C 3.52Å; L661-P674 VanDerWaalsContact O-CA 3.28Å; L661-P674 WeakPolarHBondContact O-CA 3.49Å; L661-P674 WeakPolarHBondContact O-CB 3.27Å; I662-P674 HydrophobicContact CD1-CB 4.05Å; I662-P674 HydrophobicContact CD1-CG 4.06Å; P674-A773 HydrophobicContact CB-CB 4.34Å; P674-L776 HydrophobicContact CB-CB 4.42Å; P674-L776 HydrophobicContact CB-CD2 3.88Å; P674-L776 HydrophobicContact CB-CG 4.16Å; P674-L776 HydrophobicContact CG-CB 4.28Å; P674-L776 HydrophobicContact CG-CD2 4.4Å; P674-L776 HydrophobicContact CG-CG 4.13Å; P674-K777 HydrophobicContact CG-CB 3.95Å |
| 675 | L | 92.3 | Very high | 85.4 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 52.2 | 54 | -166.1 | -58.7 | 174.9 | 0 | 0 | 0 | 114.1 | L424 L659 L661 L678 L764 A773 | L424-L675 HydrophobicContact CD1-CD1 4.45Å; L424-L675 HydrophobicContact CD1-CD2 4.37Å; L659-L675 HydrophobicContact CB-CD2 4.35Å; L661-L675 HydrophobicContact CD2-CD2 4.1Å; L661-L675 PolarHBondContact O-N 3.26Å; L675-L678 HydrophobicContact CB-CB 4.28Å; L675-L678 HydrophobicContact CD1-CD1 4.39Å; L675-L678 VanDerWaalsContact O-CB 3.3Å; L675-L678 WeakPolarHBondContact O-CB 3.42Å; L675-L678 PolarHBondContact O-N 3.35Å; L675-L764 HydrophobicContact CD1-CB 4.05Å; L675-L764 HydrophobicContact CD1-CD2 4.41Å; L675-A773 HydrophobicContact CD1-CB 4.23Å |
| 676 | P | 85.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 143.6 | 176 | -20.6 | 31.3 | 0 | 0 | 0 | 112.6 | E663 S673 L678 W783 | E663-P676 HydrophobicContact CG-CB 3.66Å; E663-P676 HydrophobicContact CG-CG 3.65Å; S673-P676 WeakPolarHBondContact O-CD 3.48Å; S673-P676 WeakPolarHBondContact O-CG 3.45Å; P676-L678 PolarHBondContact O-N 3.47Å; P676-L678 VanDerWaalsContact O-N 3.09Å; P676-W783 HydrophobicContact CG-CH2 4.24Å |
| 677 | G | 86.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 12.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E671 K679 R680 R681 | E671-G677 PolarHBondContact OE2-N 2.67Å; G677-K679 PolarHBondContact O-N 2.56Å; G677-K679 VanDerWaalsContact O-N 3.14Å; G677-R680 WeakPolarHBondContact O-CA 3.34Å; G677-R680 WeakPolarHBondContact O-CB 3.19Å; G677-R680 PolarHBondContact O-N 2.67Å; G677-R681 WeakPolarHBondContact O-CG 3.46Å; G677-R681 PolarHBondContact O-N 2.92Å; G677-R681 VanDerWaalsContact O-N 3.11Å |
| 678 | L | 91.8 | Very high | 87.6 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -41.6 | -49.5 | 175.7 | 176.1 | 67.3 | 0 | 0 | 0 | 112.5 | L659 L675 P676 R680 R681 I682 E761 L764 | L659-L678 HydrophobicContact CD1-CD1 4.49Å; L659-L678 HydrophobicContact CD2-CD1 4.14Å; L675-L678 HydrophobicContact CB-CB 4.28Å; L675-L678 HydrophobicContact CD1-CD1 4.39Å; L675-L678 VanDerWaalsContact O-CB 3.3Å; L675-L678 WeakPolarHBondContact O-CB 3.42Å; L675-L678 PolarHBondContact O-N 3.35Å; P676-L678 PolarHBondContact O-N 3.47Å; P676-L678 VanDerWaalsContact O-N 3.09Å; L678-R680 VanDerWaalsContact C-N 3.34Å; L678-R680 PolarHBondContact O-N 2.79Å; L678-R681 PolarHBondContact O-N 3.49Å; L678-I682 HydrophobicContact CD1-CD1 4.25Å; L678-I682 HydrophobicContact CD1-CG1 3.63Å; L678-I682 HydrophobicContact CG-CG1 4.2Å; L678-I682 WeakPolarHBondContact O-CB 3.45Å; L678-I682 WeakPolarHBondContact O-CG1 3.23Å; L678-I682 PolarHBondContact O-N 3.14Å; L678-E761 WeakPolarHBondContact CD2-O 3.45Å; L678-E761 HydrophobicContact CG-CG 4.44Å; L678-L764 HydrophobicContact CD1-CB 4.11Å; L678-L764 HydrophobicContact CD1-CD1 3.91Å; L678-L764 HydrophobicContact CD2-CB 3.73Å |
| 679 | K | 91.6 | Very high | 88.4 | Confident | 133 Ų | 133 | 54.1 Ų | 54.1 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -54.8 | -41.5 | 176.5 | -178 | 170.3 | -149.4 | 73.6 | 0 | 113.9 | G677 K683 E761 | G677-K679 PolarHBondContact O-N 2.56Å; G677-K679 VanDerWaalsContact O-N 3.14Å; K679-K683 WeakPolarHBondContact O-CB 3.41Å; K679-K683 PolarHBondContact O-N 2.77Å; K679-E761 HydrophobicContact CB-CG 4.33Å; K679-E761 WeakPolarHBondContact CB-OE1 3.37Å; K679-E761 WeakPolarHBondContact CD-OE1 3.39Å; K679-E761 WeakPolarHBondContact CG-OE1 3.3Å; K679-E761 WeakPolarHBondContact CG-OE2 3.33Å; K679-E761 VanDerWaalsContact NZ-CD 3.31Å; K679-E761 IonicContact NZ-OE1 2.88Å; K679-E761 PolarHBondContact NZ-OE1 3.09Å; K679-E761 IonicContact NZ-OE2 2.43Å; K679-E761 PolarHBondContact NZ-OE2 3.31Å |
| 680 | R | 90 | Very high | 89.1 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 28% | 0.279 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.5 | -48.3 | 177.6 | -176.3 | 179.7 | 76.1 | -148.1 | 0.7 | 110.4 | E656 L666 G677 L678 R684 | E656-R680 IonicContact OE1-CZ 3.14Å; E656-R680 IonicContact OE1-NE 2.64Å; E656-R680 PolarHBondContact OE1-NE 3.48Å; E656-R680 IonicContact OE1-NH2 3.4Å; E656-R680 PolarHBondContact OE1-NH2 3.25Å; E656-R680 WeakPolarHBondContact OE2-CD 3.43Å; E656-R680 IonicContact OE2-CZ 3.31Å; E656-R680 IonicContact OE2-NE 3.08Å; E656-R680 PolarHBondContact OE2-NE 3.12Å; L666-R680 VanDerWaalsContact CD2-NH1 3.32Å; G677-R680 WeakPolarHBondContact O-CA 3.34Å; G677-R680 WeakPolarHBondContact O-CB 3.19Å; G677-R680 PolarHBondContact O-N 2.67Å; L678-R680 VanDerWaalsContact C-N 3.34Å; L678-R680 PolarHBondContact O-N 2.79Å; R680-R684 WeakPolarHBondContact O-CB 3.34Å; R680-R684 WeakPolarHBondContact O-CG 3.3Å; R680-R684 PolarHBondContact O-N 3.31Å; R680-R684 VanDerWaalsContact O-N 3.16Å |
| 681 | R | 92.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.1 | -50.7 | -174 | -63.4 | 164.8 | 179.3 | -78 | -5.9 | 111.1 | L616 E655 E656 Y658 L659 E663 G677 L678 K683 R684 A685 | L616-R681 HydrophobicContact CD1-CB 3.82Å; E655-R681 PolarHBondContact O-NH1 2.69Å; E656-R681 IonicContact OE1-CZ 3.13Å; Y658-R681 PolarHBondContact O-NH1 3.45Å; L659-R681 HydrophobicContact CD2-CB 3.57Å; L659-R681 HydrophobicContact CD2-CG 4.28Å; E663-R681 IonicContact OE1-CZ 3.59Å; E663-R681 IonicContact OE1-NE 3.35Å; E663-R681 PolarHBondContact OE1-NE 2.78Å; E663-R681 IonicContact OE1-NH2 2.81Å; E663-R681 PolarHBondContact OE1-NH2 2.97Å; E663-R681 IonicContact OE2-CZ 2.7Å; E663-R681 IonicContact OE2-NH2 3.2Å; E663-R681 PolarHBondContact OE2-NH2 2.87Å; G677-R681 WeakPolarHBondContact O-CG 3.46Å; G677-R681 PolarHBondContact O-N 2.92Å; G677-R681 VanDerWaalsContact O-N 3.11Å; L678-R681 PolarHBondContact O-N 3.49Å; R681-K683 PolarHBondContact O-N 3.3Å; R681-R684 PolarHBondContact O-N 3.49Å; R681-A685 PolarHBondContact O-N 3.41Å |
| 682 | I | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.7 | -65.3 | -63.5 | 0 | 0 | 0 | 112.2 | L659 L678 R684 A685 I697 I700 K757 V760 E761 | L659-I682 HydrophobicContact CD1-CD1 4.13Å; L678-I682 HydrophobicContact CD1-CD1 4.25Å; L678-I682 HydrophobicContact CD1-CG1 3.63Å; L678-I682 HydrophobicContact CG-CG1 4.2Å; L678-I682 WeakPolarHBondContact O-CB 3.45Å; L678-I682 WeakPolarHBondContact O-CG1 3.23Å; L678-I682 PolarHBondContact O-N 3.14Å; I682-R684 VanDerWaalsContact C-N 3.31Å; I682-R684 PolarHBondContact O-N 3.18Å; I682-A685 PolarHBondContact O-N 3.48Å; I682-I697 HydrophobicContact CD1-CD1 3.87Å; I682-I697 HydrophobicContact CG2-CD1 4.08Å; I682-I700 HydrophobicContact CD1-CD1 3.97Å; I682-K757 HydrophobicContact CG2-CB 4.12Å; I682-K757 HydrophobicContact CG2-CG 4.19Å; I682-K757 WeakPolarHBondContact CG2-O 3.49Å; I682-K757 WeakPolarHBondContact O-CD 3.37Å; I682-K757 WeakPolarHBondContact O-CE 3.36Å; I682-V760 HydrophobicContact CD1-CG1 3.97Å; I682-E761 HydrophobicContact CG2-CB 4.28Å |
| 683 | K | 92.8 | Very high | 90 | Very high | 162 Ų | 162 | 50.3 Ų | 50.3 | 70% | 0.704 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.9 | -41.9 | 175.5 | -176.3 | 173.5 | -179.4 | 176.8 | 0 | 111.8 | K679 R681 K757 | K679-K683 WeakPolarHBondContact O-CB 3.41Å; K679-K683 PolarHBondContact O-N 2.77Å; R681-K683 PolarHBondContact O-N 3.3Å; K683-K757 PolarHBondContact O-NZ 3.36Å |
| 684 | R | 90 | Very high | 89.6 | Confident | 154 Ų | 154 | 51.4 Ų | 51.4 | 58% | 0.581 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -77.9 | -26.1 | -178.6 | -76.6 | 175.6 | 165.2 | -178.3 | -9.4 | 115 | E656 R680 R681 I682 | E656-R684 WeakPolarHBondContact OE2-CD 3.29Å; E656-R684 IonicContact OE2-CZ 2.86Å; E656-R684 IonicContact OE2-NE 3.95Å; E656-R684 IonicContact OE2-NH1 3.98Å; E656-R684 PolarHBondContact OE2-NH1 2.99Å; R680-R684 WeakPolarHBondContact O-CB 3.34Å; R680-R684 WeakPolarHBondContact O-CG 3.3Å; R680-R684 PolarHBondContact O-N 3.31Å; R680-R684 VanDerWaalsContact O-N 3.16Å; R681-R684 PolarHBondContact O-N 3.49Å; I682-R684 VanDerWaalsContact C-N 3.31Å; I682-R684 PolarHBondContact O-N 3.18Å |
| 685 | A | 92 | Very high | 89.4 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -56.3 | 149.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | L616 R681 I682 I697 K757 | L616-A685 HydrophobicContact CB-CB 3.98Å; L616-A685 HydrophobicContact CD2-CB 4.11Å; L616-A685 HydrophobicContact CG-CB 4.5Å; L616-A685 CarbonylContact O-C 3.52Å; L616-A685 WeakPolarHBondContact O-CA 3.27Å; L616-A685 WeakPolarHBondContact O-CB 3.37Å; R681-A685 PolarHBondContact O-N 3.41Å; I682-A685 PolarHBondContact O-N 3.48Å; A685-I697 HydrophobicContact CB-CD1 3.83Å; A685-I697 HydrophobicContact CB-CG1 4.21Å; A685-K757 WeakPolarHBondContact O-CE 3.47Å; A685-K757 PolarHBondContact O-NZ 2.86Å |
| 686 | F | 91.3 | Very high | 89.4 | Confident | 45 Ų | 45 | 51 Ų | 51 | 20% | 0.197 | 24% | 0.244 | C | C | . | . | trans | -65 | 133.5 | 175.2 | -170 | -100.5 | 0 | 0 | 0 | 110.7 | L616 F629 Q688 I694 P696 | L616-F686 PolarHBondContact O-N 3.43Å; F629-F686 HydrophobicContact CE1-CB 3.73Å; F629-F686 HydrophobicContact CE1-CD1 4.23Å; F629-F686 HydrophobicContact CE1-CG 4.17Å; F629-F686 HydrophobicContact CE2-CD1 4.42Å; F629-F686 HydrophobicContact CZ-CB 3.68Å; F629-F686 AromaticContact CZ-CD1 3.63Å; F629-F686 HydrophobicContact CZ-CD1 3.63Å; F629-F686 HydrophobicContact CZ-CD2 4.33Å; F629-F686 HydrophobicContact CZ-CE1 4.34Å; F629-F686 AromaticContact CZ-CG 3.63Å; F629-F686 HydrophobicContact CZ-CG 3.63Å; F686-Q688 HydrophobicContact CE1-CB 3.98Å; F686-Q688 HydrophobicContact CE2-CB 4.47Å; F686-Q688 HydrophobicContact CZ-CB 3.76Å; F686-I694 WeakPolarHBondContact CD1-O 3.49Å; F686-I694 VanDerWaalsContact CE1-O 3.28Å; F686-I694 WeakPolarHBondContact CE1-O 3.48Å; F686-P696 HydrophobicContact CB-CG 4.15Å; F686-P696 VanDerWaalsContact O-CD 3.3Å; F686-P696 WeakPolarHBondContact O-CD 3.31Å; F686-P696 WeakPolarHBondContact O-CG 3.48Å | ||
| 687 | C | 91.9 | Very high | 89.9 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 10% | 0.101 | 24% | 0.243 | C | C | . | . | trans | -167.5 | 76.8 | -178.8 | -159.6 | 0 | 0 | 0 | 0 | 108.1 | N695 I697 Y746 P753 | C687-N695 PolarHBondContact SG-OD1 2.79Å; C687-I697 HydrophobicContact CB-CB 4.25Å; C687-I697 HydrophobicContact CB-CG1 3.85Å; C687-I697 VanDerWaalsContact SG-CB 3.6Å; C687-Y746 PolarHBondContact SG-OH 3.33Å; C687-P753 HydrophobicContact CB-CB 4.12Å; C687-P753 WeakPolarHBondContact O-CB 3.35Å; C687-P753 WeakPolarHBondContact O-CG 3.48Å | ||
| 688 | Q | 89.6 | Confident | 90.3 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 43% | 0.425 | 24% | 0.24 | S | C | . | . | trans | -79.5 | 132 | -178.2 | 175.1 | -173.2 | 5.1 | 0 | 0 | 109.9 | F686 N690 N691 Y746 | F686-Q688 HydrophobicContact CE1-CB 3.98Å; F686-Q688 HydrophobicContact CE2-CB 4.47Å; F686-Q688 HydrophobicContact CZ-CB 3.76Å; Q688-N690 PolarHBondContact O-N 3.47Å; Q688-N691 HydrophobicContact CB-CB 3.91Å; Q688-N691 HydrophobicContact CG-CB 4.06Å; Q688-N691 WeakPolarHBondContact O-CB 3.45Å; Q688-N691 PolarHBondContact O-N 3.34Å; Q688-N691 PolarHBondContact OE1-ND2 2.93Å; Q688-Y746 VanDerWaalsContact O-CE1 3.3Å; Q688-Y746 WeakPolarHBondContact O-CE1 3.14Å; Q688-Y746 PolarHBondContact O-OH 3.16Å | ||
| 689 | P | 91 | Very high | 90.3 | Very high | 63 Ų | 63 | 52 Ų | 52 | 41% | 0.409 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 139.2 | 176.2 | -23.7 | 30.8 | 0 | 0 | 0 | 112.1 | N691 P753 | P689-N691 PolarHBondContact O-N 3.11Å; P689-P753 HydrophobicContact CB-CG 4.29Å; P689-P753 HydrophobicContact CG-CG 3.67Å |
| 690 | N | 90 | Very high | 90.5 | Very high | 87 Ų | 87 | 45.8 Ų | 45.8 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -12 | 178.6 | -49.4 | 6 | 0 | 0 | 0 | 115.9 | Q688 V692 Y746 S747 G749 | Q688-N690 PolarHBondContact O-N 3.47Å; N690-V692 PolarHBondContact O-N 3.26Å; N690-Y746 WeakPolarHBondContact CA-O 3.32Å; N690-S747 WeakPolarHBondContact CB-O 3.48Å; N690-G749 VanDerWaalsContact OD1-CA 3.23Å; N690-G749 WeakPolarHBondContact OD1-CA 3.48Å |
| 691 | N | 87.9 | Confident | 90.8 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | trans | -77.3 | 112.4 | 174 | -175.2 | -20.2 | 0 | 0 | 0 | 110.1 | Q688 P689 D693 I694 N695 Y746 | Q688-N691 HydrophobicContact CB-CB 3.91Å; Q688-N691 HydrophobicContact CG-CB 4.06Å; Q688-N691 WeakPolarHBondContact O-CB 3.45Å; Q688-N691 PolarHBondContact O-N 3.34Å; Q688-N691 PolarHBondContact OE1-ND2 2.93Å; P689-N691 PolarHBondContact O-N 3.11Å; N691-D693 PolarHBondContact OD1-N 3.37Å; N691-I694 PolarHBondContact OD1-N 3.15Å; N691-N695 PolarHBondContact O-ND2 3.44Å; N691-Y746 WeakPolarHBondContact O-CE1 3.39Å | ||
| 692 | V | 86.4 | Confident | 90.8 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | trans | -110.4 | -4.9 | -178.9 | -66.8 | 0 | 0 | 0 | 0 | 114 | N690 L698 K743 Y746 | N690-V692 PolarHBondContact O-N 3.26Å; V692-L698 HydrophobicContact CB-CD1 4.28Å; V692-L698 HydrophobicContact CG1-CD1 3.98Å; V692-K743 HydrophobicContact CB-CD 4.47Å; V692-K743 HydrophobicContact CB-CG 3.95Å; V692-K743 HydrophobicContact CG1-CG 3.97Å; V692-K743 HydrophobicContact CG2-CG 4.33Å; V692-Y746 HydrophobicContact CG1-CD1 3.87Å | ||
| 693 | D | 80 | Confident | 90.8 | Very high | 129 Ų | 129 | 50.1 Ų | 50.1 | 69% | 0.69 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -96.8 | -31.4 | -174.3 | -53.4 | -53.8 | 0 | 0 | 0 | 111.5 | N691 | N691-D693 PolarHBondContact OD1-N 3.37Š|
| 694 | I | 80 | Confident | 90.9 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -133.1 | 85.5 | 179.2 | -56.4 | -176.3 | 0 | 0 | 0 | 109.1 | L626 F629 F686 N691 | L626-I694 WeakPolarHBondContact O-CD1 3.22Å; F629-I694 HydrophobicContact CB-CG2 4.45Å; F629-I694 HydrophobicContact CD1-CG2 4.46Å; F629-I694 HydrophobicContact CD2-CG2 3.14Å; F629-I694 HydrophobicContact CE2-CG2 3.26Å; F629-I694 HydrophobicContact CG-CG2 3.79Å; F629-I694 HydrophobicContact CZ-CG2 4Å; F686-I694 WeakPolarHBondContact CD1-O 3.49Å; F686-I694 VanDerWaalsContact CE1-O 3.28Å; F686-I694 WeakPolarHBondContact CE1-O 3.48Å; N691-I694 PolarHBondContact OD1-N 3.15Å |
| 695 | N | 90 | Very high | 91.2 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -153.5 | 93.1 | -172.1 | -165.2 | -33.3 | 0 | 0 | 0 | 112.2 | C687 N691 I697 L698 D699 Y746 | C687-N695 PolarHBondContact SG-OD1 2.79Å; N691-N695 PolarHBondContact O-ND2 3.44Å; N695-I697 PolarHBondContact O-N 2.85Å; N695-I697 VanDerWaalsContact O-N 3.11Å; N695-I697 PolarHBondContact OD1-N 3.13Å; N695-L698 HydrophobicContact CB-CB 4.08Å; N695-L698 HydrophobicContact CB-CD1 3.94Å; N695-L698 HydrophobicContact CB-CG 4.16Å; N695-L698 WeakPolarHBondContact O-CA 3.39Å; N695-L698 WeakPolarHBondContact O-CB 3.32Å; N695-L698 PolarHBondContact O-N 3.43Å; N695-L698 PolarHBondContact OD1-N 3.33Å; N695-D699 PolarHBondContact O-N 3.2Å; N695-Y746 VanDerWaalsContact ND2-CE1 3.29Å; N695-Y746 WeakPolarHBondContact ND2-CE1 3.4Å; N695-Y746 VanDerWaalsContact ND2-CZ 3.32Å; N695-Y746 PolarHBondContact ND2-OH 3.4Å; N695-Y746 VanDerWaalsContact ND2-OH 3.1Å | ||
| 696 | P | 92.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -21.6 | -174.7 | 22.7 | -34.4 | 0 | 0 | 0 | 114.8 | S614 S615 F629 F686 I700 | S614-P696 WeakPolarHBondContact OG-CA 3.49Å; S614-P696 WeakPolarHBondContact OG-CB 3.45Å; S615-P696 VanDerWaalsContact O-CB 3.23Å; S615-P696 WeakPolarHBondContact O-CB 3.28Å; S615-P696 WeakPolarHBondContact O-CG 3.43Å; F629-P696 HydrophobicContact CD1-CG 4.24Å; F629-P696 HydrophobicContact CE1-CG 3.95Å; F686-P696 HydrophobicContact CB-CG 4.15Å; F686-P696 VanDerWaalsContact O-CD 3.3Å; F686-P696 WeakPolarHBondContact O-CD 3.31Å; F686-P696 WeakPolarHBondContact O-CG 3.48Å; P696-I700 VanDerWaalsContact O-CG1 3.27Å; P696-I700 WeakPolarHBondContact O-CG1 3.49Å; P696-I700 PolarHBondContact O-N 3.47Å |
| 697 | I | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71 | -39.6 | 171.9 | -63.1 | -59.9 | 0 | 0 | 0 | 110.9 | I682 A685 C687 N695 I700 C701 L756 K757 V760 | I682-I697 HydrophobicContact CD1-CD1 3.87Å; I682-I697 HydrophobicContact CG2-CD1 4.08Å; A685-I697 HydrophobicContact CB-CD1 3.83Å; A685-I697 HydrophobicContact CB-CG1 4.21Å; C687-I697 HydrophobicContact CB-CB 4.25Å; C687-I697 HydrophobicContact CB-CG1 3.85Å; C687-I697 VanDerWaalsContact SG-CB 3.6Å; N695-I697 PolarHBondContact O-N 2.85Å; N695-I697 VanDerWaalsContact O-N 3.11Å; N695-I697 PolarHBondContact OD1-N 3.13Å; I697-I700 PolarHBondContact O-N 3.45Å; I697-C701 PolarHBondContact O-N 2.86Å; I697-L756 HydrophobicContact CG2-CD2 3.77Å; I697-L756 HydrophobicContact CG2-CG 3.77Å; I697-K757 HydrophobicContact CD1-CG 4.27Å; I697-K757 HydrophobicContact CG1-CG 4.1Å; I697-K757 HydrophobicContact CG2-CG 4.46Å; I697-V760 HydrophobicContact CG2-CG2 3.98Å |
| 698 | L | 94.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.6 | -35.1 | 172.7 | -70.7 | 176.6 | 0 | 0 | 0 | 111.9 | V692 N695 I700 C701 R702 W739 L742 Y746 L756 | V692-L698 HydrophobicContact CB-CD1 4.28Å; V692-L698 HydrophobicContact CG1-CD1 3.98Å; N695-L698 HydrophobicContact CB-CB 4.08Å; N695-L698 HydrophobicContact CB-CD1 3.94Å; N695-L698 HydrophobicContact CB-CG 4.16Å; N695-L698 WeakPolarHBondContact O-CA 3.39Å; N695-L698 WeakPolarHBondContact O-CB 3.32Å; N695-L698 PolarHBondContact O-N 3.43Å; N695-L698 PolarHBondContact OD1-N 3.33Å; L698-I700 VanDerWaalsContact C-N 3.33Å; L698-I700 PolarHBondContact O-N 2.92Å; L698-C701 WeakPolarHBondContact O-CB 3.4Å; L698-C701 PolarHBondContact O-N 3.21Å; L698-C701 VanDerWaalsContact O-N 3.15Å; L698-R702 WeakPolarHBondContact O-CB 3.12Å; L698-R702 PolarHBondContact O-N 3.46Å; L698-W739 HydrophobicContact CB-CH2 4.01Å; L698-W739 HydrophobicContact CB-CZ3 4.01Å; L698-W739 HydrophobicContact CD2-CZ3 4.33Å; L698-W739 WeakPolarHBondContact O-CZ3 3.19Å; L698-L742 HydrophobicContact CD2-CD2 4.12Å; L698-L742 HydrophobicContact CD2-CG 4.13Å; L698-Y746 HydrophobicContact CD1-CD1 3.76Å; L698-Y746 HydrophobicContact CD1-CD2 4.45Å; L698-Y746 HydrophobicContact CD1-CE1 4.1Å; L698-Y746 HydrophobicContact CD1-CG 3.94Å; L698-Y746 HydrophobicContact CD2-CD2 4.15Å; L698-Y746 HydrophobicContact CD2-CG 4.2Å; L698-L756 HydrophobicContact CD2-CD2 3.72Å; L698-L756 HydrophobicContact CG-CD2 4.36Å |
| 699 | D | 93.3 | Very high | 91.1 | Very high | 38 Ų | 38 | 34.9 Ų | 34.9 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 172.2 | -73.5 | -46.1 | 0 | 0 | 0 | 112.3 | L613 S614 N695 R702 W703 | L613-D699 HydrophobicContact CD1-CB 3.94Å; S614-D699 WeakPolarHBondContact CB-OD2 3.44Å; S614-D699 PolarHBondContact OG-OD2 3.47Å; N695-D699 PolarHBondContact O-N 3.2Å; D699-R702 PolarHBondContact O-N 2.95Å; D699-W703 WeakPolarHBondContact O-CB 3.41Å; D699-W703 PolarHBondContact O-N 2.93Å |
| 700 | I | 95.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 171.2 | -71.7 | 166.8 | 0 | 0 | 0 | 110.6 | L613 L616 L659 I682 P696 I697 L698 V704 L705 V760 L764 | L613-I700 HydrophobicContact CD1-CG1 3.97Å; L613-I700 HydrophobicContact CD2-CG1 4.08Å; L613-I700 HydrophobicContact CG-CG1 4.45Å; L616-I700 HydrophobicContact CD2-CD1 4.06Å; L659-I700 HydrophobicContact CD1-CD1 3.77Å; I682-I700 HydrophobicContact CD1-CD1 3.97Å; P696-I700 VanDerWaalsContact O-CG1 3.27Å; P696-I700 WeakPolarHBondContact O-CG1 3.49Å; P696-I700 PolarHBondContact O-N 3.47Å; I697-I700 PolarHBondContact O-N 3.45Å; L698-I700 VanDerWaalsContact C-N 3.33Å; L698-I700 PolarHBondContact O-N 2.92Å; I700-V704 HydrophobicContact CG2-CB 4.31Å; I700-V704 CarbonylContact O-C 3.59Å; I700-V704 VanDerWaalsContact O-CA 3.31Å; I700-V704 WeakPolarHBondContact O-CA 3.45Å; I700-V704 VanDerWaalsContact O-CB 3.23Å; I700-V704 WeakPolarHBondContact O-CB 3.12Å; I700-V704 PolarHBondContact O-N 3.03Å; I700-L705 HydrophobicContact CG2-CD1 4.22Å; I700-L705 HydrophobicContact CG2-CG 4.31Å; I700-L705 PolarHBondContact O-N 3.1Å; I700-V760 HydrophobicContact CB-CG1 4.47Å; I700-V760 HydrophobicContact CG2-CG1 3.67Å; I700-L764 HydrophobicContact CG2-CD1 3.96Å |
| 701 | C | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -60.5 | -52.1 | 173.4 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | I697 L698 L705 I706 L742 V760 | I697-C701 PolarHBondContact O-N 2.86Å; L698-C701 WeakPolarHBondContact O-CB 3.4Å; L698-C701 PolarHBondContact O-N 3.21Å; L698-C701 VanDerWaalsContact O-N 3.15Å; C701-L705 PolarHBondContact O-N 3.02Å; C701-I706 HydrophobicContact CB-CD1 4.46Å; C701-I706 WeakPolarHBondContact O-CB 3.36Å; C701-I706 WeakPolarHBondContact O-CG1 3.35Å; C701-I706 PolarHBondContact O-N 2.93Å; C701-L742 HydrophobicContact CB-CD2 3.4Å; C701-L742 VanDerWaalsContact CB-CD2 3.4Å; C701-V760 VanDerWaalsContact SG-CG2 3.52Å |
| 702 | R | 93.8 | Very high | 89.7 | Confident | 95 Ų | 95 | 39 Ų | 39 | 36% | 0.358 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -61.8 | -48.9 | -176.4 | -171 | 177.4 | -176 | -178.5 | 0.3 | 113.2 | L698 D699 P707 W739 | L698-R702 WeakPolarHBondContact O-CB 3.12Å; L698-R702 PolarHBondContact O-N 3.46Å; D699-R702 PolarHBondContact O-N 2.95Å; R702-P707 VanDerWaalsContact O-CD 3.24Å; R702-P707 WeakPolarHBondContact O-CD 3.38Å; R702-P707 WeakPolarHBondContact O-CG 3.29Å; R702-W739 HydrophobicContact CB-CD2 3.85Å; R702-W739 HydrophobicContact CB-CE3 3.5Å; R702-W739 HydrophobicContact CB-CH2 4.15Å; R702-W739 HydrophobicContact CB-CZ2 4.46Å; R702-W739 HydrophobicContact CB-CZ3 3.67Å; R702-W739 HydrophobicContact CG-CD2 3.6Å; R702-W739 HydrophobicContact CG-CE3 3.84Å; R702-W739 HydrophobicContact CG-CG 3.98Å; R702-W739 HydrophobicContact CG-CH2 4.48Å; R702-W739 HydrophobicContact CG-CZ2 4.31Å; R702-W739 HydrophobicContact CG-CZ3 4.28Å |
| 703 | W | 93.8 | Very high | 89.6 | Confident | 72 Ų | 72 | 41.1 Ų | 41.1 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -105.4 | -18.9 | -167.6 | -57.8 | 123.4 | 0 | 0 | 0 | 113.7 | I428 R431 P611 D699 | I428-W703 HydrophobicContact CD1-CB 3.75Å; I428-W703 HydrophobicContact CG1-CB 4.17Å; R431-W703 PolarHBondContact NH2-O 2.6Å; P611-W703 HydrophobicContact CB-CD2 4.07Å; P611-W703 HydrophobicContact CB-CE3 4.45Å; P611-W703 HydrophobicContact CB-CH2 4.34Å; P611-W703 HydrophobicContact CB-CZ2 3.96Å; P611-W703 HydrophobicContact CG-CD2 3.62Å; P611-W703 HydrophobicContact CG-CE3 3.59Å; P611-W703 HydrophobicContact CG-CG 4.23Å; P611-W703 HydrophobicContact CG-CH2 4Å; P611-W703 HydrophobicContact CG-CZ2 4.04Å; P611-W703 HydrophobicContact CG-CZ3 3.79Å; D699-W703 WeakPolarHBondContact O-CB 3.41Å; D699-W703 PolarHBondContact O-N 2.93Å |
| 704 | V | 95.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -107.9 | -61.7 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | L424 R431 L613 I700 D708 L764 | L424-V704 HydrophobicContact CD1-CG1 3.99Å; L424-V704 HydrophobicContact CD2-CG1 4.14Å; L424-V704 HydrophobicContact CD2-CG2 4.09Å; L424-V704 HydrophobicContact CG-CG1 4.13Å; L424-V704 HydrophobicContact CG-CG2 4.1Å; R431-V704 PolarHBondContact NH1-O 3Å; L613-V704 HydrophobicContact CD1-CG2 4.3Å; L613-V704 HydrophobicContact CD2-CG2 4.18Å; I700-V704 HydrophobicContact CG2-CB 4.31Å; I700-V704 CarbonylContact O-C 3.59Å; I700-V704 VanDerWaalsContact O-CA 3.31Å; I700-V704 WeakPolarHBondContact O-CA 3.45Å; I700-V704 VanDerWaalsContact O-CB 3.23Å; I700-V704 WeakPolarHBondContact O-CB 3.12Å; I700-V704 PolarHBondContact O-N 3.03Å; V704-D708 WeakPolarHBondContact O-CB 3.44Å; V704-L764 HydrophobicContact CG1-CD2 4.08Å |
| 705 | L | 94.9 | Very high | 90.4 | Very high | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -80.8 | -53.7 | -165.1 | -69.6 | 173.8 | 0 | 0 | 0 | 114.9 | I700 C701 P707 D708 L709 F715 V760 L763 L764 | I700-L705 HydrophobicContact CG2-CD1 4.22Å; I700-L705 HydrophobicContact CG2-CG 4.31Å; I700-L705 PolarHBondContact O-N 3.1Å; C701-L705 PolarHBondContact O-N 3.02Å; L705-P707 VanDerWaalsContact C-N 3.32Å; L705-D708 WeakPolarHBondContact O-CB 3.45Å; L705-D708 PolarHBondContact O-N 3.25Å; L705-L709 PolarHBondContact O-N 2.83Å; L705-F715 HydrophobicContact CB-CE2 3.94Å; L705-F715 HydrophobicContact CD1-CE2 4.22Å; L705-V760 HydrophobicContact CD1-CB 4.25Å; L705-V760 HydrophobicContact CD1-CG1 4.05Å; L705-V760 HydrophobicContact CD1-CG2 3.98Å; L705-L763 HydrophobicContact CD1-CB 4.07Å; L705-L763 HydrophobicContact CD1-CD1 4.19Å; L705-L763 HydrophobicContact CD2-CB 3.84Å; L705-L764 HydrophobicContact CD2-CD2 3.66Å; L705-L764 HydrophobicContact CD2-CG 3.93Å; L705-L764 HydrophobicContact CG-CD2 4.32Å; L705-L764 HydrophobicContact CG-CG 4.43Å |
| 706 | I | 93 | Very high | 90.4 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -57 | -42.9 | -178.9 | -67.1 | 170.3 | 0 | 0 | 0 | 111 | C701 D708 L709 F715 E738 W739 L742 | C701-I706 HydrophobicContact CB-CD1 4.46Å; C701-I706 WeakPolarHBondContact O-CB 3.36Å; C701-I706 WeakPolarHBondContact O-CG1 3.35Å; C701-I706 PolarHBondContact O-N 2.93Å; I706-D708 PolarHBondContact O-N 2.82Å; I706-L709 PolarHBondContact O-N 2.97Å; I706-F715 HydrophobicContact CG1-CD2 3.89Å; I706-F715 HydrophobicContact CG1-CE2 4.29Å; I706-F715 HydrophobicContact CG1-CG 4.33Å; I706-E738 HydrophobicContact CD1-CB 4.47Å; I706-E738 HydrophobicContact CG2-CB 3.86Å; I706-W739 HydrophobicContact CD1-CB 4.06Å; I706-W739 HydrophobicContact CD1-CE3 4.48Å; I706-L742 HydrophobicContact CD1-CD2 3.86Å |
| 707 | P | 91.6 | Very high | 90.4 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -78.1 | 2 | 176.3 | -11.2 | 28.5 | 0 | 0 | 0 | 114.7 | R431 R435 R702 L705 | R431-P707 WeakPolarHBondContact CD-O 3.15Å; R431-P707 PolarHBondContact NE-O 3.4Å; R435-P707 PolarHBondContact NH2-O 2.92Å; R702-P707 VanDerWaalsContact O-CD 3.24Å; R702-P707 WeakPolarHBondContact O-CD 3.38Å; R702-P707 WeakPolarHBondContact O-CG 3.29Å; L705-P707 VanDerWaalsContact C-N 3.32Å |
| 708 | D | 91.5 | Very high | 90 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -97.9 | -12.1 | 172.1 | -153.9 | 64.4 | 0 | 0 | 0 | 112.9 | R431 V704 L705 I706 R775 | R431-D708 IonicContact NH1-OD1 2.61Å; V704-D708 WeakPolarHBondContact O-CB 3.44Å; L705-D708 WeakPolarHBondContact O-CB 3.45Å; L705-D708 PolarHBondContact O-N 3.25Å; I706-D708 PolarHBondContact O-N 2.82Å; D708-R775 IonicContact OD1-NH2 2.73Å; D708-R775 PolarHBondContact OD1-NH2 3.31Å; D708-R775 IonicContact OD2-CZ 3.51Å; D708-R775 VanDerWaalsContact OD2-CZ 3.31Å; D708-R775 IonicContact OD2-NH1 3.15Å; D708-R775 PolarHBondContact OD2-NH1 3.38Å; D708-R775 IonicContact OD2-NH2 2.59Å; D708-R775 PolarHBondContact OD2-NH2 3.02Å |
| 709 | L | 87.8 | Confident | 89.8 | Confident | 36 Ų | 36 | 43.8 Ų | 43.8 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -64.7 | 153.3 | 175.4 | -64.3 | 178.1 | 0 | 0 | 0 | 112.3 | L705 I706 E713 F715 | L705-L709 PolarHBondContact O-N 2.83Å; I706-L709 PolarHBondContact O-N 2.97Å; L709-E713 HydrophobicContact CB-CB 4.36Å; L709-E713 HydrophobicContact CD2-CG 4.23Å; L709-F715 HydrophobicContact CD1-CB 3.88Å; L709-F715 HydrophobicContact CD1-CD2 4.19Å |
| 710 | S | 83 | Confident | 89.5 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 149.7 | 170.2 | -41.7 | 0 | 0 | 0 | 0 | 110.5 | G712 E713 | S710-G712 PolarHBondContact O-N 3.29Å; S710-G712 VanDerWaalsContact O-N 3.08Å; S710-E713 WeakPolarHBondContact CB-OE2 3.42Å; S710-E713 PolarHBondContact N-OE2 3.24Å; S710-E713 VanDerWaalsContact O-CB 3.22Å; S710-E713 WeakPolarHBondContact O-CB 3.47Å; S710-E713 PolarHBondContact O-N 3.4Å; S710-E713 PolarHBondContact OG-OE2 3.1Å |
| 711 | P | 78 | Confident | 89.2 | Confident | 142 Ų | 142 | 53.5 Ų | 53.5 | 92% | 0.922 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 117.7 | 176.2 | -26.4 | 35.7 | 0 | 0 | 0 | 112.3 | ||
| 712 | G | 78.1 | Confident | 88.7 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -2.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S710 Q730 | S710-G712 PolarHBondContact O-N 3.29Å; S710-G712 VanDerWaalsContact O-N 3.08Å; G712-Q730 PolarHBondContact O-NE2 3.35Å |
| 713 | E | 84.1 | Confident | 88.3 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | trans | -71.9 | 125.9 | 173.3 | -174.7 | 178.6 | 175.7 | 0 | 0 | 110.4 | L709 S710 | L709-E713 HydrophobicContact CB-CB 4.36Å; L709-E713 HydrophobicContact CD2-CG 4.23Å; S710-E713 WeakPolarHBondContact CB-OE2 3.42Å; S710-E713 PolarHBondContact N-OE2 3.24Å; S710-E713 VanDerWaalsContact O-CB 3.22Å; S710-E713 WeakPolarHBondContact O-CB 3.47Å; S710-E713 PolarHBondContact O-N 3.4Å; S710-E713 PolarHBondContact OG-OE2 3.1Å | ||
| 714 | P | 86.1 | Confident | 87.8 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | trans | -74.9 | 139.4 | -178.7 | 30.1 | -35.1 | 0 | 0 | 0 | 111.8 | I716 Q730 | P714-I716 HydrophobicContact CB-CG1 4.21Å; P714-I716 HydrophobicContact CG-CD1 4.12Å; P714-I716 HydrophobicContact CG-CG1 3.97Å; P714-I716 PolarHBondContact O-N 3.35Å; P714-I716 VanDerWaalsContact O-N 3.13Å; P714-Q730 HydrophobicContact CB-CB 4.01Å; P714-Q730 HydrophobicContact CB-CG 4.26Å | ||
| 715 | F | 90.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 98.1 | 167.4 | -172.3 | -89.1 | 0 | 0 | 0 | 109.1 | L705 I706 L709 I717 I729 T759 L763 | L705-F715 HydrophobicContact CB-CE2 3.94Å; L705-F715 HydrophobicContact CD1-CE2 4.22Å; I706-F715 HydrophobicContact CG1-CD2 3.89Å; I706-F715 HydrophobicContact CG1-CE2 4.29Å; I706-F715 HydrophobicContact CG1-CG 4.33Å; L709-F715 HydrophobicContact CD1-CB 3.88Å; L709-F715 HydrophobicContact CD1-CD2 4.19Å; F715-I717 HydrophobicContact CD1-CD1 4.35Å; F715-I717 HydrophobicContact CD1-CG1 3.93Å; F715-I717 HydrophobicContact CE1-CD1 3.96Å; F715-I717 HydrophobicContact CE1-CG1 3.65Å; F715-I729 HydrophobicContact CB-CB 4.16Å; F715-I729 HydrophobicContact CD1-CB 4.49Å; F715-I729 HydrophobicContact CD1-CD1 4.27Å; F715-I729 PolarHBondContact N-O 2.88Å; F715-I729 WeakPolarHBondContact O-CB 3.18Å; F715-I729 PolarHBondContact O-N 2.96Å; F715-T759 HydrophobicContact CE1-CG2 4.49Å; F715-T759 HydrophobicContact CZ-CG2 4.45Å; F715-L763 HydrophobicContact CD2-CD1 4.11Å; F715-L763 HydrophobicContact CE2-CD1 3.48Å; F715-L763 VanDerWaalsContact CE2-CD1 3.48Å; F715-L763 HydrophobicContact CZ-CD1 3.82Å |
| 716 | I | 91.3 | Very high | 87.2 | Confident | 64 Ų | 64 | 65 Ų | 65 | 33% | 0.328 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.2 | -176.2 | -51.3 | 177.4 | 0 | 0 | 0 | 110.7 | P714 T718 T759 | P714-I716 HydrophobicContact CB-CG1 4.21Å; P714-I716 HydrophobicContact CG-CD1 4.12Å; P714-I716 HydrophobicContact CG-CG1 3.97Å; P714-I716 PolarHBondContact O-N 3.35Å; P714-I716 VanDerWaalsContact O-N 3.13Å; I716-T718 HydrophobicContact CG2-CG2 4.42Å; I716-T759 WeakPolarHBondContact O-CG2 3.31Å |
| 717 | I | 91.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.7 | 169.3 | -57.1 | 179.2 | 0 | 0 | 0 | 108.4 | F715 R719 P726 L727 I729 L742 L751 D755 L756 T759 | F715-I717 HydrophobicContact CD1-CD1 4.35Å; F715-I717 HydrophobicContact CD1-CG1 3.93Å; F715-I717 HydrophobicContact CE1-CD1 3.96Å; F715-I717 HydrophobicContact CE1-CG1 3.65Å; I717-R719 HydrophobicContact CG2-CG 3.96Å; I717-R719 PolarHBondContact O-N 3.15Å; I717-P726 WeakPolarHBondContact O-CA 3.49Å; I717-L727 HydrophobicContact CB-CB 4.29Å; I717-L727 PolarHBondContact N-O 3.21Å; I717-L727 PolarHBondContact O-N 3.38Å; I717-I729 HydrophobicContact CD1-CD1 3.74Å; I717-I729 HydrophobicContact CG1-CD1 4.41Å; I717-L742 HydrophobicContact CD1-CD1 3.97Å; I717-L751 HydrophobicContact CD1-CD1 3.66Å; I717-L751 HydrophobicContact CD1-CD2 3.43Å; I717-L751 VanDerWaalsContact CD1-CD2 3.43Å; I717-L751 HydrophobicContact CD1-CG 4.19Å; I717-L751 HydrophobicContact CG2-CD1 3.88Å; I717-D755 HydrophobicContact CG2-CB 4.21Å; I717-L756 HydrophobicContact CD1-CD1 4.16Å; I717-T759 HydrophobicContact CB-CG2 4.45Å; I717-T759 HydrophobicContact CG1-CG2 4.2Å; I717-T759 WeakPolarHBondContact CG2-OG1 3.4Å |
| 718 | T | 87.9 | Confident | 87 | Confident | 95 Ų | 95 | 68 Ų | 68 | 58% | 0.583 | 40% | 0.396 | S | S | * | . | trans | -82.2 | 118.9 | -178.2 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | I716 | I716-T718 HydrophobicContact CG2-CG2 4.42Š| ||
| 719 | R | 89.6 | Confident | 86.8 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 12% | 0.117 | 39% | 0.387 | C | S | . | . | trans | -134.5 | 154.1 | 180 | -40.8 | -175.7 | -68.1 | -179.7 | 2 | 110.5 | I717 N723 G724 G725 T750 D755 | I717-R719 HydrophobicContact CG2-CG 3.96Å; I717-R719 PolarHBondContact O-N 3.15Å; R719-N723 HydrophobicContact CB-CB 3.97Å; R719-N723 PolarHBondContact NE-O 3.45Å; R719-N723 PolarHBondContact NH1-O 2.9Å; R719-N723 PolarHBondContact NH2-O 3.1Å; R719-G724 PolarHBondContact NH2-O 3.04Å; R719-G725 WeakPolarHBondContact CB-O 3.45Å; R719-G725 PolarHBondContact NE-O 2.97Å; R719-G725 PolarHBondContact NH2-O 2.76Å; R719-G725 CarbonylContact O-C 3.53Å; R719-T750 PolarHBondContact NH1-O 3.09Å; R719-D755 HydrophobicContact CG-CB 3.91Å | ||
| 720 | S | 87 | Confident | 86.6 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 43% | 0.434 | 39% | 0.394 | S | S | . | . | trans | -67.8 | 157.3 | 171.3 | 80.6 | 0 | 0 | 0 | 0 | 111.2 | K722 N723 G724 G725 | S720-K722 PolarHBondContact O-N 2.92Å; S720-K722 PolarHBondContact OG-N 3.15Å; S720-N723 CarbonylContact O-C 3.58Å; S720-N723 WeakPolarHBondContact O-CA 3.49Å; S720-N723 PolarHBondContact O-N 3.47Å; S720-N723 PolarHBondContact OG-N 2.9Å; S720-G724 PolarHBondContact O-N 2.98Å; S720-G725 WeakPolarHBondContact O-CA 3.31Å; S720-G725 PolarHBondContact O-N 2.81Å | ||
| 721 | E | 88.4 | Confident | 86 | Confident | 181 Ų | 181 | 67 Ų | 67 | 85% | 0.846 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -54.3 | -35.7 | 174.9 | -62.8 | 178.3 | 161.8 | 0 | 0 | 112.2 | N723 G724 | E721-N723 PolarHBondContact O-N 2.98Å; E721-G724 PolarHBondContact O-N 2.98Å |
| 722 | K | 86.5 | Confident | 85.4 | Confident | 203 Ų | 203 | 68.9 Ų | 68.9 | 88% | 0.883 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -64.3 | -22.3 | 175.9 | -61.7 | -176.3 | 179.2 | -178.4 | 0 | 113.7 | S720 | S720-K722 PolarHBondContact O-N 2.92Å; S720-K722 PolarHBondContact OG-N 3.15Å |
| 723 | N | 83.5 | Confident | 84.5 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -99.6 | 16.5 | 174.7 | -63.5 | 16.7 | 0 | 0 | 0 | 111.5 | R719 S720 E721 D755 | R719-N723 HydrophobicContact CB-CB 3.97Å; R719-N723 PolarHBondContact NE-O 3.45Å; R719-N723 PolarHBondContact NH1-O 2.9Å; R719-N723 PolarHBondContact NH2-O 3.1Å; S720-N723 CarbonylContact O-C 3.58Å; S720-N723 WeakPolarHBondContact O-CA 3.49Å; S720-N723 PolarHBondContact O-N 3.47Å; S720-N723 PolarHBondContact OG-N 2.9Å; E721-N723 PolarHBondContact O-N 2.98Å; N723-D755 PolarHBondContact ND2-OD1 3.06Å |
| 724 | G | 84 | Confident | 83.3 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 19 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | R719 S720 E721 | R719-G724 PolarHBondContact NH2-O 3.04Å; S720-G724 PolarHBondContact O-N 2.98Å; E721-G724 PolarHBondContact O-N 2.98Å |
| 725 | G | 88.5 | Confident | 82 | Confident | 11 Ų | 11 | 76.3 Ų | 76.3 | 11% | 0.113 | 43% | 0.428 | C | S | . | . | S | Bend | trans | 66.5 | 179.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R719 S720 L727 | R719-G725 WeakPolarHBondContact CB-O 3.45Å; R719-G725 PolarHBondContact NE-O 2.97Å; R719-G725 PolarHBondContact NH2-O 2.76Å; R719-G725 CarbonylContact O-C 3.53Å; S720-G725 WeakPolarHBondContact O-CA 3.31Å; S720-G725 PolarHBondContact O-N 2.81Å; G725-L727 PolarHBondContact O-N 2.83Å |
| 726 | P | 90.4 | Very high | 80.8 | Confident | 76 Ų | 76 | 79.4 Ų | 79.4 | 49% | 0.494 | 45% | 0.445 | S | S | . | . | trans | -55.2 | 125.4 | 178 | -25.3 | 35.1 | 0 | 0 | 0 | 112.1 | I717 | I717-P726 WeakPolarHBondContact O-CA 3.49Š| ||
| 727 | L | 90.2 | Very high | 80.3 | Confident | 18 Ų | 18 | 79.7 Ų | 79.7 | 9% | 0.094 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 110.8 | 179 | -178.6 | 63.2 | 0 | 0 | 0 | 108.9 | I717 G725 I729 Y745 | I717-L727 HydrophobicContact CB-CB 4.29Å; I717-L727 PolarHBondContact N-O 3.21Å; I717-L727 PolarHBondContact O-N 3.38Å; G725-L727 PolarHBondContact O-N 2.83Å; L727-I729 HydrophobicContact CD2-CD1 4.29Å; L727-I729 HydrophobicContact CD2-CG1 4.38Å; L727-I729 HydrophobicContact CG-CD1 4.5Å; L727-I729 HydrophobicContact CG-CG1 4.1Å; L727-Y745 HydrophobicContact CD1-CD2 4.36Å; L727-Y745 HydrophobicContact CD1-CE1 4.4Å; L727-Y745 HydrophobicContact CD1-CE2 3.9Å; L727-Y745 HydrophobicContact CD2-CD2 3.88Å; L727-Y745 HydrophobicContact CD2-CE2 4.26Å; L727-Y745 HydrophobicContact CD2-CG 4.05Å; L727-Y745 HydrophobicContact CG-CD2 4.42Å; L727-Y745 HydrophobicContact CG-CE2 4.34Å |
| 728 | H | 89.8 | Confident | 80.1 | Confident | 106 Ų | 106 | 82 Ų | 82 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.3 | 177.5 | -68 | -108.9 | 0 | 0 | 0 | 109.2 | ||
| 729 | I | 86.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 106.6 | 177.3 | -61.9 | 177.5 | 0 | 0 | 0 | 107.6 | F715 I717 L727 E738 L741 L742 Y745 | F715-I729 HydrophobicContact CB-CB 4.16Å; F715-I729 HydrophobicContact CD1-CB 4.49Å; F715-I729 HydrophobicContact CD1-CD1 4.27Å; F715-I729 PolarHBondContact N-O 2.88Å; F715-I729 WeakPolarHBondContact O-CB 3.18Å; F715-I729 PolarHBondContact O-N 2.96Å; I717-I729 HydrophobicContact CD1-CD1 3.74Å; I717-I729 HydrophobicContact CG1-CD1 4.41Å; L727-I729 HydrophobicContact CD2-CD1 4.29Å; L727-I729 HydrophobicContact CD2-CG1 4.38Å; L727-I729 HydrophobicContact CG-CD1 4.5Å; L727-I729 HydrophobicContact CG-CG1 4.1Å; I729-E738 HydrophobicContact CG2-CB 4.2Å; I729-E738 WeakPolarHBondContact CG2-O 3.35Å; I729-L741 HydrophobicContact CG2-CB 4.15Å; I729-L741 HydrophobicContact CG2-CD2 3.99Å; I729-L741 HydrophobicContact CG2-CG 4.08Å; I729-L742 HydrophobicContact CD1-CB 4Å; I729-L742 HydrophobicContact CD1-CD1 3.57Å; I729-L742 HydrophobicContact CD1-CG 4.39Å; I729-L742 HydrophobicContact CG2-CB 4.44Å; I729-Y745 HydrophobicContact CD1-CD2 4.08Å; I729-Y745 HydrophobicContact CG1-CD2 4.07Å; I729-Y745 HydrophobicContact CG1-CE2 4.15Å |
| 730 | Q | 82.6 | Confident | 80.1 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 33% | 0.327 | 44% | 0.444 | S | S | . | . | trans | -150 | 136.3 | -177.1 | -166.9 | -178 | 22.4 | 0 | 0 | 108 | G712 P714 Q732 | G712-Q730 PolarHBondContact O-NE2 3.35Å; P714-Q730 HydrophobicContact CB-CB 4.01Å; P714-Q730 HydrophobicContact CB-CG 4.26Å; Q730-Q732 PolarHBondContact O-N 3.25Å; Q730-Q732 VanDerWaalsContact O-N 3.15Å | ||
| 731 | S | 71.5 | Confident | 80.3 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 34% | 0.343 | 43% | 0.431 | S | S | . | . | trans | -68 | 112.3 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | S733 L736 E738 | S731-S733 PolarHBondContact OG-O 3.47Å; S731-S733 VanDerWaalsContact OG-O 3.05Å; S731-L736 WeakPolarHBondContact CB-O 3.48Å; S731-L736 PolarHBondContact OG-O 3.23Å; S731-E738 VanDerWaalsContact CB-OE1 3.24Å; S731-E738 WeakPolarHBondContact CB-OE1 3.48Å; S731-E738 PolarHBondContact N-OE1 3.36Å | ||
| 732 | Q | 65.6 | Low | 80.5 | Confident | 182 Ų | 182 | 69.9 Ų | 69.9 | 85% | 0.85 | 39% | 0.39 | S | S | * | . | trans | -99.4 | 0.7 | 172.8 | -64.5 | -174.3 | -4.8 | 0 | 0 | 112.6 | Q730 | Q730-Q732 PolarHBondContact O-N 3.25Å; Q730-Q732 VanDerWaalsContact O-N 3.15Å | ||
| 733 | S | 59.6 | Low | 80.7 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -154.1 | 142.8 | -177.4 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | S731 T735 L736 | S731-S733 PolarHBondContact OG-O 3.47Å; S731-S733 VanDerWaalsContact OG-O 3.05Å; S733-T735 PolarHBondContact O-N 3.27Å; S733-T735 PolarHBondContact OG-OG1 2.76Å; S733-L736 PolarHBondContact O-N 3.09Å |
| 734 | C | 57.3 | Low | 81.1 | Confident | 144 Ų | 144 | 64 Ų | 64 | 97% | 0.973 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 3.3 | -175 | -49.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 735 | T | 59.2 | Low | 81.5 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -18.4 | -174.1 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | S733 | S733-T735 PolarHBondContact O-N 3.27Å; S733-T735 PolarHBondContact OG-OG1 2.76Å |
| 736 | L | 65 | Low | 81.7 | Confident | 67 Ų | 67 | 64.1 Ų | 64.1 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | trans | -138.6 | 128 | -177.6 | -71.4 | 170.7 | 0 | 0 | 0 | 110 | S731 S733 D740 | S731-L736 WeakPolarHBondContact CB-O 3.48Å; S731-L736 PolarHBondContact OG-O 3.23Å; S733-L736 PolarHBondContact O-N 3.09Å; L736-D740 HydrophobicContact CD2-CB 3.85Å | ||
| 737 | N | 80.9 | Confident | 81.9 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | trans | -87.6 | 173 | 170.9 | 61.7 | 65.1 | 0 | 0 | 0 | 111.2 | W739 D740 L741 | N737-W739 PolarHBondContact O-N 2.96Å; N737-W739 WeakPolarHBondContact OD1-CA 3.27Å; N737-W739 WeakPolarHBondContact OD1-CB 3.25Å; N737-W739 PolarHBondContact OD1-N 3.46Å; N737-D740 PolarHBondContact ND2-OD2 2.97Å; N737-D740 PolarHBondContact O-N 3.26Å; N737-D740 PolarHBondContact OD1-N 3.33Å; N737-D740 PolarHBondContact OD1-OD2 3.08Å; N737-L741 WeakPolarHBondContact O-CB 3.16Å; N737-L741 PolarHBondContact O-N 3.3Å | ||
| 738 | E | 87.1 | Confident | 82 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.9 | -34 | -179 | -69.5 | 66.4 | -149.5 | 0 | 0 | 112.9 | I706 I729 S731 L742 | I706-E738 HydrophobicContact CD1-CB 4.47Å; I706-E738 HydrophobicContact CG2-CB 3.86Å; I729-E738 HydrophobicContact CG2-CB 4.2Å; I729-E738 WeakPolarHBondContact CG2-O 3.35Å; S731-E738 VanDerWaalsContact CB-OE1 3.24Å; S731-E738 WeakPolarHBondContact CB-OE1 3.48Å; S731-E738 PolarHBondContact N-OE1 3.36Å; E738-L742 VanDerWaalsContact O-CB 3.29Å; E738-L742 WeakPolarHBondContact O-CB 3.4Å; E738-L742 PolarHBondContact O-N 3.24Å |
| 739 | W | 89.9 | Confident | 82 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 10% | 0.102 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.1 | -45.8 | 178 | 159.2 | -101.1 | 0 | 0 | 0 | 111.9 | L698 R702 I706 N737 L741 L742 K743 | L698-W739 HydrophobicContact CB-CH2 4.01Å; L698-W739 HydrophobicContact CB-CZ3 4.01Å; L698-W739 HydrophobicContact CD2-CZ3 4.33Å; L698-W739 WeakPolarHBondContact O-CZ3 3.19Å; R702-W739 HydrophobicContact CB-CD2 3.85Å; R702-W739 HydrophobicContact CB-CE3 3.5Å; R702-W739 HydrophobicContact CB-CH2 4.15Å; R702-W739 HydrophobicContact CB-CZ2 4.46Å; R702-W739 HydrophobicContact CB-CZ3 3.67Å; R702-W739 HydrophobicContact CG-CD2 3.6Å; R702-W739 HydrophobicContact CG-CE3 3.84Å; R702-W739 HydrophobicContact CG-CG 3.98Å; R702-W739 HydrophobicContact CG-CH2 4.48Å; R702-W739 HydrophobicContact CG-CZ2 4.31Å; R702-W739 HydrophobicContact CG-CZ3 4.28Å; I706-W739 HydrophobicContact CD1-CB 4.06Å; I706-W739 HydrophobicContact CD1-CE3 4.48Å; N737-W739 PolarHBondContact O-N 2.96Å; N737-W739 WeakPolarHBondContact OD1-CA 3.27Å; N737-W739 WeakPolarHBondContact OD1-CB 3.25Å; N737-W739 PolarHBondContact OD1-N 3.46Å; W739-L741 VanDerWaalsContact C-N 3.3Å; W739-L741 PolarHBondContact O-N 3.31Å; W739-L742 HydrophobicContact CE3-CD2 4.24Å; W739-L742 HydrophobicContact CZ3-CD2 4.33Å; W739-L742 PolarHBondContact O-N 3.35Å; W739-K743 HydrophobicContact CH2-CB 4.49Å; W739-K743 HydrophobicContact CZ2-CB 4.18Å; W739-K743 HydrophobicContact CZ2-CD 4.05Å; W739-K743 HydrophobicContact CZ2-CG 4.24Å; W739-K743 WeakPolarHBondContact O-CB 3.4Å; W739-K743 PolarHBondContact O-N 3.01Å |
| 740 | D | 89.3 | Confident | 82.1 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 179.9 | -65.1 | -41.3 | 0 | 0 | 0 | 111.2 | L736 N737 K743 Q744 | L736-D740 HydrophobicContact CD2-CB 3.85Å; N737-D740 PolarHBondContact ND2-OD2 2.97Å; N737-D740 PolarHBondContact O-N 3.26Å; N737-D740 PolarHBondContact OD1-N 3.33Å; N737-D740 PolarHBondContact OD1-OD2 3.08Å; D740-K743 PolarHBondContact O-N 2.85Å; D740-Q744 WeakPolarHBondContact O-CB 3.4Å; D740-Q744 PolarHBondContact O-N 2.82Å |
| 741 | L | 89.8 | Confident | 82.5 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 172.2 | -176.1 | 59.5 | 0 | 0 | 0 | 112.1 | I729 N737 W739 Q744 Y745 | I729-L741 HydrophobicContact CG2-CB 4.15Å; I729-L741 HydrophobicContact CG2-CD2 3.99Å; I729-L741 HydrophobicContact CG2-CG 4.08Å; N737-L741 WeakPolarHBondContact O-CB 3.16Å; N737-L741 PolarHBondContact O-N 3.3Å; W739-L741 VanDerWaalsContact C-N 3.3Å; W739-L741 PolarHBondContact O-N 3.31Å; L741-Q744 PolarHBondContact O-N 2.81Å; L741-Y745 HydrophobicContact CD1-CD2 4.04Å; L741-Y745 HydrophobicContact CD1-CE2 3.47Å; L741-Y745 VanDerWaalsContact CD1-CE2 3.47Å; L741-Y745 HydrophobicContact CD2-CE2 4.16Å; L741-Y745 HydrophobicContact CG-CD2 3.99Å; L741-Y745 HydrophobicContact CG-CE2 3.57Å; L741-Y745 WeakPolarHBondContact O-CD2 3.42Å; L741-Y745 PolarHBondContact O-N 2.98Å |
| 742 | L | 92.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 171.6 | 175.4 | 65.6 | 0 | 0 | 0 | 111.8 | L698 C701 I706 I717 I729 E738 W739 Q744 Y745 Y746 L751 L756 | L698-L742 HydrophobicContact CD2-CD2 4.12Å; L698-L742 HydrophobicContact CD2-CG 4.13Å; C701-L742 HydrophobicContact CB-CD2 3.4Å; C701-L742 VanDerWaalsContact CB-CD2 3.4Å; I706-L742 HydrophobicContact CD1-CD2 3.86Å; I717-L742 HydrophobicContact CD1-CD1 3.97Å; I729-L742 HydrophobicContact CD1-CB 4Å; I729-L742 HydrophobicContact CD1-CD1 3.57Å; I729-L742 HydrophobicContact CD1-CG 4.39Å; I729-L742 HydrophobicContact CG2-CB 4.44Å; E738-L742 VanDerWaalsContact O-CB 3.29Å; E738-L742 WeakPolarHBondContact O-CB 3.4Å; E738-L742 PolarHBondContact O-N 3.24Å; W739-L742 HydrophobicContact CE3-CD2 4.24Å; W739-L742 HydrophobicContact CZ3-CD2 4.33Å; W739-L742 PolarHBondContact O-N 3.35Å; L742-Q744 VanDerWaalsContact C-N 3.33Å; L742-Q744 PolarHBondContact O-N 2.67Å; L742-Y745 PolarHBondContact O-N 3Å; L742-Y746 WeakPolarHBondContact O-CB 3.25Å; L742-Y746 PolarHBondContact O-N 2.92Å; L742-L751 HydrophobicContact CD1-CD2 3.39Å; L742-L756 HydrophobicContact CD1-CD1 4.45Å |
| 743 | K | 92.6 | Very high | 84.8 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 178.1 | -169.8 | -177.4 | -178.8 | -178.5 | 0 | 110.4 | V692 W739 D740 Y746 S747 | V692-K743 HydrophobicContact CB-CD 4.47Å; V692-K743 HydrophobicContact CB-CG 3.95Å; V692-K743 HydrophobicContact CG1-CG 3.97Å; V692-K743 HydrophobicContact CG2-CG 4.33Å; W739-K743 HydrophobicContact CH2-CB 4.49Å; W739-K743 HydrophobicContact CZ2-CB 4.18Å; W739-K743 HydrophobicContact CZ2-CD 4.05Å; W739-K743 HydrophobicContact CZ2-CG 4.24Å; W739-K743 WeakPolarHBondContact O-CB 3.4Å; W739-K743 PolarHBondContact O-N 3.01Å; D740-K743 PolarHBondContact O-N 2.85Å; K743-Y746 PolarHBondContact O-N 3.29Å; K743-S747 WeakPolarHBondContact O-CB 3.35Å; K743-S747 PolarHBondContact O-N 3.22Å; K743-S747 PolarHBondContact O-OG 3.11Å |
| 744 | Q | 91.4 | Very high | 86.3 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 41% | 0.407 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 178 | -175 | -178.1 | 3.7 | 0 | 0 | 112.6 | D740 L741 L742 Y746 S747 N748 | D740-Q744 WeakPolarHBondContact O-CB 3.4Å; D740-Q744 PolarHBondContact O-N 2.82Å; L741-Q744 PolarHBondContact O-N 2.81Å; L742-Q744 VanDerWaalsContact C-N 3.33Å; L742-Q744 PolarHBondContact O-N 2.67Å; Q744-Y746 VanDerWaalsContact C-N 3.27Å; Q744-Y746 PolarHBondContact O-N 2.98Å; Q744-S747 PolarHBondContact O-OG 3.35Å; Q744-S747 VanDerWaalsContact O-OG 3.1Å; Q744-N748 VanDerWaalsContact O-CB 3.3Å; Q744-N748 WeakPolarHBondContact O-CB 3.4Å; Q744-N748 PolarHBondContact O-N 2.87Å; Q744-N748 VanDerWaalsContact O-N 3.12Å |
| 745 | Y | 92.2 | Very high | 88 | Confident | 69 Ų | 69 | 51 Ų | 51 | 27% | 0.271 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 177 | -75.5 | -49.9 | 0 | 0 | 0 | 112.5 | L727 I729 L741 L742 T750 L751 | L727-Y745 HydrophobicContact CD1-CD2 4.36Å; L727-Y745 HydrophobicContact CD1-CE1 4.4Å; L727-Y745 HydrophobicContact CD1-CE2 3.9Å; L727-Y745 HydrophobicContact CD2-CD2 3.88Å; L727-Y745 HydrophobicContact CD2-CE2 4.26Å; L727-Y745 HydrophobicContact CD2-CG 4.05Å; L727-Y745 HydrophobicContact CG-CD2 4.42Å; L727-Y745 HydrophobicContact CG-CE2 4.34Å; I729-Y745 HydrophobicContact CD1-CD2 4.08Å; I729-Y745 HydrophobicContact CG1-CD2 4.07Å; I729-Y745 HydrophobicContact CG1-CE2 4.15Å; L741-Y745 HydrophobicContact CD1-CD2 4.04Å; L741-Y745 HydrophobicContact CD1-CE2 3.47Å; L741-Y745 VanDerWaalsContact CD1-CE2 3.47Å; L741-Y745 HydrophobicContact CD2-CE2 4.16Å; L741-Y745 HydrophobicContact CG-CD2 3.99Å; L741-Y745 HydrophobicContact CG-CE2 3.57Å; L741-Y745 WeakPolarHBondContact O-CD2 3.42Å; L741-Y745 PolarHBondContact O-N 2.98Å; L742-Y745 PolarHBondContact O-N 3Å; Y745-T750 HydrophobicContact CD1-CG2 3.78Å; Y745-T750 HydrophobicContact CE1-CG2 4.29Å; Y745-T750 WeakPolarHBondContact O-CA 3.45Å; Y745-T750 WeakPolarHBondContact O-CB 3.37Å; Y745-T750 PolarHBondContact O-N 2.74Å; Y745-L751 PolarHBondContact O-N 2.95Å |
| 746 | Y | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -76.5 | -46.3 | 177.5 | -160.7 | -84.7 | 0 | 0 | 0 | 112.5 | C687 Q688 N690 N691 V692 N695 L698 L742 K743 Q744 N748 G749 L751 L756 | C687-Y746 PolarHBondContact SG-OH 3.33Å; Q688-Y746 VanDerWaalsContact O-CE1 3.3Å; Q688-Y746 WeakPolarHBondContact O-CE1 3.14Å; Q688-Y746 PolarHBondContact O-OH 3.16Å; N690-Y746 WeakPolarHBondContact CA-O 3.32Å; N691-Y746 WeakPolarHBondContact O-CE1 3.39Å; V692-Y746 HydrophobicContact CG1-CD1 3.87Å; N695-Y746 VanDerWaalsContact ND2-CE1 3.29Å; N695-Y746 WeakPolarHBondContact ND2-CE1 3.4Å; N695-Y746 VanDerWaalsContact ND2-CZ 3.32Å; N695-Y746 PolarHBondContact ND2-OH 3.4Å; N695-Y746 VanDerWaalsContact ND2-OH 3.1Å; L698-Y746 HydrophobicContact CD1-CD1 3.76Å; L698-Y746 HydrophobicContact CD1-CD2 4.45Å; L698-Y746 HydrophobicContact CD1-CE1 4.1Å; L698-Y746 HydrophobicContact CD1-CG 3.94Å; L698-Y746 HydrophobicContact CD2-CD2 4.15Å; L698-Y746 HydrophobicContact CD2-CG 4.2Å; L742-Y746 WeakPolarHBondContact O-CB 3.25Å; L742-Y746 PolarHBondContact O-N 2.92Å; K743-Y746 PolarHBondContact O-N 3.29Å; Q744-Y746 VanDerWaalsContact C-N 3.27Å; Q744-Y746 PolarHBondContact O-N 2.98Å; Y746-N748 VanDerWaalsContact C-N 3.25Å; Y746-N748 PolarHBondContact O-N 3.24Å; Y746-G749 PolarHBondContact O-N 3.14Å; Y746-G749 VanDerWaalsContact O-N 3.15Å; Y746-L751 HydrophobicContact CD2-CD2 4.07Å; Y746-L751 HydrophobicContact CD2-CG 4.07Å; Y746-L756 HydrophobicContact CD2-CD2 3.81Å; Y746-L756 HydrophobicContact CE2-CD2 3.66Å |
| 747 | S | 93 | Very high | 91.1 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.1 | -37 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | N690 K743 Q744 G749 | N690-S747 WeakPolarHBondContact CB-O 3.48Å; K743-S747 WeakPolarHBondContact O-CB 3.35Å; K743-S747 PolarHBondContact O-N 3.22Å; K743-S747 PolarHBondContact O-OG 3.11Å; Q744-S747 PolarHBondContact O-OG 3.35Å; Q744-S747 VanDerWaalsContact O-OG 3.1Å; S747-G749 VanDerWaalsContact C-N 3.26Å; S747-G749 PolarHBondContact O-N 3.21Å |
| 748 | N | 92.3 | Very high | 91.8 | Very high | 104 Ų | 104 | 44.2 Ų | 44.2 | 56% | 0.556 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 5.2 | -177.3 | -61.1 | 0.8 | 0 | 0 | 0 | 113 | Q744 Y746 T750 | Q744-N748 VanDerWaalsContact O-CB 3.3Å; Q744-N748 WeakPolarHBondContact O-CB 3.4Å; Q744-N748 PolarHBondContact O-N 2.87Å; Q744-N748 VanDerWaalsContact O-N 3.12Å; Y746-N748 VanDerWaalsContact C-N 3.25Å; Y746-N748 PolarHBondContact O-N 3.24Å; N748-T750 PolarHBondContact O-N 3.45Å |
| 749 | G | 90 | Very high | 92.1 | Very high | 38 Ų | 38 | 42 Ų | 42 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N690 Y746 S747 L751 | N690-G749 VanDerWaalsContact OD1-CA 3.23Å; N690-G749 WeakPolarHBondContact OD1-CA 3.48Å; Y746-G749 PolarHBondContact O-N 3.14Å; Y746-G749 VanDerWaalsContact O-N 3.15Å; S747-G749 VanDerWaalsContact C-N 3.26Å; S747-G749 PolarHBondContact O-N 3.21Å; G749-L751 PolarHBondContact O-N 2.8Å |
| 750 | T | 89.5 | Confident | 92.4 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 42% | 0.423 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -67.3 | -23.5 | 175.9 | -47.4 | 0 | 0 | 0 | 0 | 112.1 | R719 Y745 N748 | R719-T750 PolarHBondContact NH1-O 3.09Å; Y745-T750 HydrophobicContact CD1-CG2 3.78Å; Y745-T750 HydrophobicContact CE1-CG2 4.29Å; Y745-T750 WeakPolarHBondContact O-CA 3.45Å; Y745-T750 WeakPolarHBondContact O-CB 3.37Å; Y745-T750 PolarHBondContact O-N 2.74Å; N748-T750 PolarHBondContact O-N 3.45Å |
| 751 | L | 91.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -120.6 | 115 | 176.3 | 173 | 61.3 | 0 | 0 | 0 | 110.4 | I717 L742 Y745 Y746 G749 D755 L756 | I717-L751 HydrophobicContact CD1-CD1 3.66Å; I717-L751 HydrophobicContact CD1-CD2 3.43Å; I717-L751 VanDerWaalsContact CD1-CD2 3.43Å; I717-L751 HydrophobicContact CD1-CG 4.19Å; I717-L751 HydrophobicContact CG2-CD1 3.88Å; L742-L751 HydrophobicContact CD1-CD2 3.39Å; Y745-L751 PolarHBondContact O-N 2.95Å; Y746-L751 HydrophobicContact CD2-CD2 4.07Å; Y746-L751 HydrophobicContact CD2-CG 4.07Å; G749-L751 PolarHBondContact O-N 2.8Å; L751-D755 HydrophobicContact CD1-CB 4.11Å; L751-L756 HydrophobicContact CD1-CB 4.25Å; L751-L756 HydrophobicContact CD2-CB 4.45Å; L751-L756 HydrophobicContact CD2-CD1 4.3Å; L751-L756 HydrophobicContact CD2-CD2 4.4Å; L751-L756 HydrophobicContact CG-CB 4.39Å |
| 752 | H | 91.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 43.7 Ų | 43.7 | 48% | 0.481 | 24% | 0.237 | S | C | . | . | trans | -88.1 | 143 | 179 | -175.9 | -114.1 | 0 | 0 | 0 | 111.3 | G754 D755 L756 | H752-G754 PolarHBondContact ND1-N 2.92Å; H752-G754 PolarHBondContact O-N 2.84Å; H752-D755 PolarHBondContact O-N 2.81Å; H752-L756 PolarHBondContact O-N 3.5Å | ||
| 753 | P | 92.4 | Very high | 93 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 7% | 0.071 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51 | -26.3 | 173.3 | 7.5 | -23.4 | 0 | 0 | 0 | 115.3 | C687 P689 D755 K757 | C687-P753 HydrophobicContact CB-CB 4.12Å; C687-P753 WeakPolarHBondContact O-CB 3.35Å; C687-P753 WeakPolarHBondContact O-CG 3.48Å; P689-P753 HydrophobicContact CB-CG 4.29Å; P689-P753 HydrophobicContact CG-CG 3.67Å; P753-D755 VanDerWaalsContact C-N 3.33Å; P753-D755 PolarHBondContact O-N 2.86Å; P753-K757 WeakPolarHBondContact O-CB 3.45Å; P753-K757 PolarHBondContact O-N 3.46Å |
| 754 | G | 92.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 44% | 0.443 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.7 | -25.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | H752 P758 | H752-G754 PolarHBondContact ND1-N 2.92Å; H752-G754 PolarHBondContact O-N 2.84Å; G754-P758 WeakPolarHBondContact O-CD 3.48Å; G754-P758 VanDerWaalsContact O-CG 3.28Å; G754-P758 WeakPolarHBondContact O-CG 3.29Å |
| 755 | D | 93.2 | Very high | 93.2 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -91.5 | -37.4 | 173.7 | -57.8 | -62.4 | 0 | 0 | 0 | 111.3 | I717 R719 N723 L751 H752 P753 T759 | I717-D755 HydrophobicContact CG2-CB 4.21Å; R719-D755 HydrophobicContact CG-CB 3.91Å; N723-D755 PolarHBondContact ND2-OD1 3.06Å; L751-D755 HydrophobicContact CD1-CB 4.11Å; H752-D755 PolarHBondContact O-N 2.81Å; P753-D755 VanDerWaalsContact C-N 3.33Å; P753-D755 PolarHBondContact O-N 2.86Å; D755-T759 PolarHBondContact O-N 2.85Å; D755-T759 PolarHBondContact O-OG1 3.35Å |
| 756 | L | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -45.8 | -178.1 | -178.4 | 59.1 | 0 | 0 | 0 | 112.6 | I697 L698 I717 L742 Y746 L751 H752 T759 V760 | I697-L756 HydrophobicContact CG2-CD2 3.77Å; I697-L756 HydrophobicContact CG2-CG 3.77Å; L698-L756 HydrophobicContact CD2-CD2 3.72Å; L698-L756 HydrophobicContact CG-CD2 4.36Å; I717-L756 HydrophobicContact CD1-CD1 4.16Å; L742-L756 HydrophobicContact CD1-CD1 4.45Å; Y746-L756 HydrophobicContact CD2-CD2 3.81Å; Y746-L756 HydrophobicContact CE2-CD2 3.66Å; L751-L756 HydrophobicContact CD1-CB 4.25Å; L751-L756 HydrophobicContact CD2-CB 4.45Å; L751-L756 HydrophobicContact CD2-CD1 4.3Å; L751-L756 HydrophobicContact CD2-CD2 4.4Å; L751-L756 HydrophobicContact CG-CB 4.39Å; H752-L756 PolarHBondContact O-N 3.5Å; L756-T759 WeakPolarHBondContact O-CB 3.38Å; L756-T759 PolarHBondContact O-N 3.1Å; L756-V760 HydrophobicContact CD1-CG2 4.03Å; L756-V760 HydrophobicContact CG-CG2 4.35Å; L756-V760 WeakPolarHBondContact O-CG2 3.33Å; L756-V760 PolarHBondContact O-N 2.99Å |
| 757 | K | 95.3 | Very high | 93.1 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 18% | 0.183 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | -178.2 | -85.7 | 178.7 | 168.6 | -179.4 | 0 | 113.4 | I682 K683 A685 I697 P753 T759 V760 E761 | I682-K757 HydrophobicContact CG2-CB 4.12Å; I682-K757 HydrophobicContact CG2-CG 4.19Å; I682-K757 WeakPolarHBondContact CG2-O 3.49Å; I682-K757 WeakPolarHBondContact O-CD 3.37Å; I682-K757 WeakPolarHBondContact O-CE 3.36Å; K683-K757 PolarHBondContact O-NZ 3.36Å; A685-K757 WeakPolarHBondContact O-CE 3.47Å; A685-K757 PolarHBondContact O-NZ 2.86Å; I697-K757 HydrophobicContact CD1-CG 4.27Å; I697-K757 HydrophobicContact CG1-CG 4.1Å; I697-K757 HydrophobicContact CG2-CG 4.46Å; P753-K757 WeakPolarHBondContact O-CB 3.45Å; P753-K757 PolarHBondContact O-N 3.46Å; K757-T759 VanDerWaalsContact C-N 3.28Å; K757-T759 PolarHBondContact O-N 3.46Å; K757-V760 PolarHBondContact O-N 2.9Å; K757-E761 PolarHBondContact O-N 3.18Å |
| 758 | P | 94.6 | Very high | 93 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -34.9 | 174.9 | -25.5 | 35.8 | 0 | 0 | 0 | 113.4 | G754 E761 Y762 | G754-P758 WeakPolarHBondContact O-CD 3.48Å; G754-P758 VanDerWaalsContact O-CG 3.28Å; G754-P758 WeakPolarHBondContact O-CG 3.29Å; P758-E761 PolarHBondContact O-N 3.5Å; P758-Y762 WeakPolarHBondContact O-CB 3.39Å; P758-Y762 PolarHBondContact O-N 3.21Å |
| 759 | T | 94.1 | Very high | 93 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 175.8 | -58 | 0 | 0 | 0 | 0 | 111.1 | F715 I716 I717 D755 L756 K757 E761 Y762 L763 | F715-T759 HydrophobicContact CE1-CG2 4.49Å; F715-T759 HydrophobicContact CZ-CG2 4.45Å; I716-T759 WeakPolarHBondContact O-CG2 3.31Å; I717-T759 HydrophobicContact CB-CG2 4.45Å; I717-T759 HydrophobicContact CG1-CG2 4.2Å; I717-T759 WeakPolarHBondContact CG2-OG1 3.4Å; D755-T759 PolarHBondContact O-N 2.85Å; D755-T759 PolarHBondContact O-OG1 3.35Å; L756-T759 WeakPolarHBondContact O-CB 3.38Å; L756-T759 PolarHBondContact O-N 3.1Å; K757-T759 VanDerWaalsContact C-N 3.28Å; K757-T759 PolarHBondContact O-N 3.46Å; T759-E761 VanDerWaalsContact C-N 3.35Å; T759-E761 PolarHBondContact O-N 3.03Å; T759-Y762 PolarHBondContact O-N 2.99Å; T759-L763 HydrophobicContact CG2-CD1 3.8Å; T759-L763 HydrophobicContact CG2-CG 4.25Å; T759-L763 WeakPolarHBondContact O-CB 3.12Å; T759-L763 WeakPolarHBondContact O-CG 3.23Å; T759-L763 PolarHBondContact O-N 2.97Å |
| 760 | V | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 112 | I682 I697 I700 C701 L705 L756 K757 L764 | I682-V760 HydrophobicContact CD1-CG1 3.97Å; I697-V760 HydrophobicContact CG2-CG2 3.98Å; I700-V760 HydrophobicContact CB-CG1 4.47Å; I700-V760 HydrophobicContact CG2-CG1 3.67Å; C701-V760 VanDerWaalsContact SG-CG2 3.52Å; L705-V760 HydrophobicContact CD1-CB 4.25Å; L705-V760 HydrophobicContact CD1-CG1 4.05Å; L705-V760 HydrophobicContact CD1-CG2 3.98Å; L756-V760 HydrophobicContact CD1-CG2 4.03Å; L756-V760 HydrophobicContact CG-CG2 4.35Å; L756-V760 WeakPolarHBondContact O-CG2 3.33Å; L756-V760 PolarHBondContact O-N 2.99Å; K757-V760 PolarHBondContact O-N 2.9Å; V760-L764 HydrophobicContact CG1-CD1 4.16Å; V760-L764 WeakPolarHBondContact O-CB 3.34Å; V760-L764 WeakPolarHBondContact O-CG 3.31Å; V760-L764 PolarHBondContact O-N 3Å |
| 761 | E | 95.5 | Very high | 93.2 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 17% | 0.173 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -52.4 | 171.1 | -172.4 | -166.5 | 142.1 | 0 | 0 | 111.1 | L678 K679 I682 K757 P758 T759 S765 | L678-E761 WeakPolarHBondContact CD2-O 3.45Å; L678-E761 HydrophobicContact CG-CG 4.44Å; K679-E761 HydrophobicContact CB-CG 4.33Å; K679-E761 WeakPolarHBondContact CB-OE1 3.37Å; K679-E761 WeakPolarHBondContact CD-OE1 3.39Å; K679-E761 WeakPolarHBondContact CG-OE1 3.3Å; K679-E761 WeakPolarHBondContact CG-OE2 3.33Å; K679-E761 VanDerWaalsContact NZ-CD 3.31Å; K679-E761 IonicContact NZ-OE1 2.88Å; K679-E761 PolarHBondContact NZ-OE1 3.09Å; K679-E761 IonicContact NZ-OE2 2.43Å; K679-E761 PolarHBondContact NZ-OE2 3.31Å; I682-E761 HydrophobicContact CG2-CB 4.28Å; K757-E761 PolarHBondContact O-N 3.18Å; P758-E761 PolarHBondContact O-N 3.5Å; T759-E761 VanDerWaalsContact C-N 3.35Å; T759-E761 PolarHBondContact O-N 3.03Å; E761-S765 VanDerWaalsContact O-CB 3.28Å; E761-S765 WeakPolarHBondContact O-CB 3.36Å; E761-S765 PolarHBondContact O-N 3.22Å |
| 762 | Y | 94.5 | Very high | 93.4 | Very high | 112 Ų | 112 | 46.2 Ų | 46.2 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.4 | -49.9 | -178.4 | 172.6 | -105.3 | 0 | 0 | 0 | 112.3 | P758 T759 L764 S765 Q767 N768 | P758-Y762 WeakPolarHBondContact O-CB 3.39Å; P758-Y762 PolarHBondContact O-N 3.21Å; T759-Y762 PolarHBondContact O-N 2.99Å; Y762-L764 VanDerWaalsContact C-N 3.3Å; Y762-L764 PolarHBondContact O-N 3.09Å; Y762-S765 PolarHBondContact O-N 2.81Å; Y762-S765 PolarHBondContact O-OG 3.35Å; Y762-Q767 HydrophobicContact CD2-CB 4.47Å; Y762-Q767 HydrophobicContact CE2-CB 4.29Å; Y762-N768 HydrophobicContact CE1-CB 4.11Å; Y762-N768 HydrophobicContact CE2-CB 4.26Å |
| 763 | L | 94.4 | Very high | 93.6 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -32.8 | -176 | -70.1 | 175.7 | 0 | 0 | 0 | 113.1 | L705 F715 T759 N768 S771 | L705-L763 HydrophobicContact CD1-CB 4.07Å; L705-L763 HydrophobicContact CD1-CD1 4.19Å; L705-L763 HydrophobicContact CD2-CB 3.84Å; F715-L763 HydrophobicContact CD2-CD1 4.11Å; F715-L763 HydrophobicContact CE2-CD1 3.48Å; F715-L763 VanDerWaalsContact CE2-CD1 3.48Å; F715-L763 HydrophobicContact CZ-CD1 3.82Å; T759-L763 HydrophobicContact CG2-CD1 3.8Å; T759-L763 HydrophobicContact CG2-CG 4.25Å; T759-L763 WeakPolarHBondContact O-CB 3.12Å; T759-L763 WeakPolarHBondContact O-CG 3.23Å; T759-L763 PolarHBondContact O-N 2.97Å; L763-N768 PolarHBondContact O-ND2 3.43Å; L763-S771 WeakPolarHBondContact O-CB 3.42Å |
| 764 | L | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -80.6 | -21.8 | 172.9 | -73.4 | 177.3 | 0 | 0 | 0 | 113.5 | L424 L659 L675 L678 I700 V704 L705 V760 Y762 A773 | L424-L764 HydrophobicContact CD1-CD2 4.33Å; L424-L764 HydrophobicContact CD2-CD1 3.88Å; L424-L764 HydrophobicContact CD2-CD2 4.17Å; L659-L764 HydrophobicContact CD1-CD1 4.45Å; L675-L764 HydrophobicContact CD1-CB 4.05Å; L675-L764 HydrophobicContact CD1-CD2 4.41Å; L678-L764 HydrophobicContact CD1-CB 4.11Å; L678-L764 HydrophobicContact CD1-CD1 3.91Å; L678-L764 HydrophobicContact CD2-CB 3.73Å; I700-L764 HydrophobicContact CG2-CD1 3.96Å; V704-L764 HydrophobicContact CG1-CD2 4.08Å; L705-L764 HydrophobicContact CD2-CD2 3.66Å; L705-L764 HydrophobicContact CD2-CG 3.93Å; L705-L764 HydrophobicContact CG-CD2 4.32Å; L705-L764 HydrophobicContact CG-CG 4.43Å; V760-L764 HydrophobicContact CG1-CD1 4.16Å; V760-L764 WeakPolarHBondContact O-CB 3.34Å; V760-L764 WeakPolarHBondContact O-CG 3.31Å; V760-L764 PolarHBondContact O-N 3Å; Y762-L764 VanDerWaalsContact C-N 3.3Å; Y762-L764 PolarHBondContact O-N 3.09Å; L764-A773 WeakPolarHBondContact O-CB 3.34Å |
| 765 | S | 93.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -76 | 155.1 | -173.1 | 76.9 | 0 | 0 | 0 | 0 | 114.1 | E761 Y762 Q767 N768 S771 | E761-S765 VanDerWaalsContact O-CB 3.28Å; E761-S765 WeakPolarHBondContact O-CB 3.36Å; E761-S765 PolarHBondContact O-N 3.22Å; Y762-S765 PolarHBondContact O-N 2.81Å; Y762-S765 PolarHBondContact O-OG 3.35Å; S765-Q767 PolarHBondContact O-N 3.15Å; S765-Q767 WeakPolarHBondContact OG-CB 3.3Å; S765-Q767 PolarHBondContact OG-N 3.06Å; S765-N768 PolarHBondContact O-N 2.75Å; S765-S771 WeakPolarHBondContact O-CB 3.48Å; S765-S771 PolarHBondContact O-OG 2.88Å |
| 766 | V | 92.4 | Very high | 94.1 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -3.6 | 170.9 | -62.7 | 0 | 0 | 0 | 0 | 114.6 | A773 | V766-A773 HydrophobicContact CG1-CB 3.73Š|
| 767 | Q | 90.9 | Very high | 94.1 | Very high | 152 Ų | 152 | 47.8 Ų | 47.8 | 71% | 0.71 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -33.7 | 173.5 | -57.7 | -177.6 | -5.6 | 0 | 0 | 111.5 | Y762 S765 I769 | Y762-Q767 HydrophobicContact CD2-CB 4.47Å; Y762-Q767 HydrophobicContact CE2-CB 4.29Å; S765-Q767 PolarHBondContact O-N 3.15Å; S765-Q767 WeakPolarHBondContact OG-CB 3.3Å; S765-Q767 PolarHBondContact OG-N 3.06Å; Q767-I769 PolarHBondContact O-N 3.4Å |
| 768 | N | 91.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -76.8 | 116.4 | 166.5 | 174.1 | 17.2 | 0 | 0 | 0 | 108.7 | Y762 L763 S765 H770 S771 | Y762-N768 HydrophobicContact CE1-CB 4.11Å; Y762-N768 HydrophobicContact CE2-CB 4.26Å; L763-N768 PolarHBondContact O-ND2 3.43Å; S765-N768 PolarHBondContact O-N 2.75Å; N768-H770 PolarHBondContact O-N 3.48Å; N768-H770 PolarHBondContact OD1-N 2.91Å; N768-S771 WeakPolarHBondContact O-CB 3.43Å; N768-S771 PolarHBondContact O-N 2.93Å; N768-S771 PolarHBondContact O-OG 3.44Å |
| 769 | I | 92 | Very high | 94.1 | Very high | 123 Ų | 123 | 50.5 Ų | 50.5 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -30 | 178.9 | -63.9 | 174.2 | 0 | 0 | 0 | 111.2 | Q767 N774 | Q767-I769 PolarHBondContact O-N 3.4Å; I769-N774 WeakPolarHBondContact CA-ND2 3.11Å; I769-N774 PolarHBondContact O-ND2 2.8Å |
| 770 | H | 90.4 | Very high | 94.2 | Very high | 129 Ų | 129 | 51.5 Ų | 51.5 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 3.8 | -179.6 | -57.1 | -85 | 0 | 0 | 0 | 113.4 | N768 R775 | N768-H770 PolarHBondContact O-N 3.48Å; N768-H770 PolarHBondContact OD1-N 2.91Å; H770-R775 PolarHBondContact O-NH1 2.85Å |
| 771 | S | 93.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -70.9 | 153.5 | -178.6 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | L763 S765 N768 A773 N774 R775 | L763-S771 WeakPolarHBondContact O-CB 3.42Å; S765-S771 WeakPolarHBondContact O-CB 3.48Å; S765-S771 PolarHBondContact O-OG 2.88Å; N768-S771 WeakPolarHBondContact O-CB 3.43Å; N768-S771 PolarHBondContact O-N 2.93Å; N768-S771 PolarHBondContact O-OG 3.44Å; S771-A773 PolarHBondContact O-N 2.97Å; S771-A773 PolarHBondContact OG-N 3.49Å; S771-N774 PolarHBondContact O-N 3.25Å; S771-N774 PolarHBondContact OG-N 3Å; S771-R775 WeakPolarHBondContact O-CG 3.4Å; S771-R775 PolarHBondContact O-N 3.15Å; S771-R775 VanDerWaalsContact O-N 3.11Å |
| 772 | L | 94.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55 | -37.4 | 168.3 | -179 | 59.7 | 0 | 0 | 0 | 112.1 | L424 L478 A481 L482 L776 | L424-L772 HydrophobicContact CD1-CD2 3.92Å; L478-L772 HydrophobicContact CD1-CD1 4.06Å; L478-L772 HydrophobicContact CD1-CD2 4.36Å; A481-L772 HydrophobicContact CB-CD1 4.39Å; L482-L772 HydrophobicContact CD2-CD1 3.64Å; L482-L772 HydrophobicContact CG-CD1 3.98Å; L772-L776 WeakPolarHBondContact O-CB 3.24Å; L772-L776 PolarHBondContact O-N 2.85Å |
| 773 | A | 95.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68 | -36.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P674 L675 L764 V766 S771 K777 | P674-A773 HydrophobicContact CB-CB 4.34Å; L675-A773 HydrophobicContact CD1-CB 4.23Å; L764-A773 WeakPolarHBondContact O-CB 3.34Å; V766-A773 HydrophobicContact CG1-CB 3.73Å; S771-A773 PolarHBondContact O-N 2.97Å; S771-A773 PolarHBondContact OG-N 3.49Å; A773-K777 WeakPolarHBondContact O-CB 3.44Å; A773-K777 PolarHBondContact O-N 3.2Å |
| 774 | N | 94.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.2 | -45.1 | 175.8 | -171.8 | 35.2 | 0 | 0 | 0 | 111.2 | I769 S771 L776 K777 Q778 | I769-N774 WeakPolarHBondContact CA-ND2 3.11Å; I769-N774 PolarHBondContact O-ND2 2.8Å; S771-N774 PolarHBondContact O-N 3.25Å; S771-N774 PolarHBondContact OG-N 3Å; N774-L776 VanDerWaalsContact C-N 3.3Å; N774-L776 PolarHBondContact O-N 3.38Å; N774-K777 WeakPolarHBondContact O-CB 3.26Å; N774-K777 PolarHBondContact O-N 3.37Å; N774-Q778 VanDerWaalsContact CG-NE2 3.33Å; N774-Q778 PolarHBondContact ND2-NE2 3.18Å; N774-Q778 VanDerWaalsContact ND2-NE2 3.12Å; N774-Q778 WeakPolarHBondContact O-CG 3.42Å; N774-Q778 PolarHBondContact O-N 2.81Å; N774-Q778 PolarHBondContact O-NE2 2.98Å; N774-Q778 PolarHBondContact OD1-NE2 2.99Å |
| 775 | R | 96.7 | Very high | 93.8 | Very high | 64 Ų | 64 | 60 Ų | 60 | 24% | 0.242 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.3 | -59.3 | -170.8 | -46.1 | -103.1 | 4.2 | 111.7 | A481 D708 H770 S771 Q778 S779 | A481-R775 HydrophobicContact CB-CB 4.05Å; A481-R775 PolarHBondContact O-NE 3.28Å; D708-R775 IonicContact OD1-NH2 2.73Å; D708-R775 PolarHBondContact OD1-NH2 3.31Å; D708-R775 IonicContact OD2-CZ 3.51Å; D708-R775 VanDerWaalsContact OD2-CZ 3.31Å; D708-R775 IonicContact OD2-NH1 3.15Å; D708-R775 PolarHBondContact OD2-NH1 3.38Å; D708-R775 IonicContact OD2-NH2 2.59Å; D708-R775 PolarHBondContact OD2-NH2 3.02Å; H770-R775 PolarHBondContact O-NH1 2.85Å; S771-R775 WeakPolarHBondContact O-CG 3.4Å; S771-R775 PolarHBondContact O-N 3.15Å; S771-R775 VanDerWaalsContact O-N 3.11Å; R775-Q778 PolarHBondContact O-N 2.72Å; R775-S779 WeakPolarHBondContact O-CB 3.4Å; R775-S779 PolarHBondContact O-N 3.31Å; R775-S779 VanDerWaalsContact O-N 3.17Å; R775-S779 PolarHBondContact O-OG 3.12Å |
| 776 | L | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 175 | -176 | 58.9 | 0 | 0 | 0 | 112.2 | L478 A481 L661 P674 L772 N774 Q778 S779 L780 | L478-L776 HydrophobicContact CB-CD1 4.31Å; A481-L776 HydrophobicContact CB-CB 4.08Å; A481-L776 HydrophobicContact CB-CD1 4.28Å; L661-L776 HydrophobicContact CB-CD2 4.19Å; L661-L776 HydrophobicContact CD2-CD2 4.09Å; P674-L776 HydrophobicContact CB-CB 4.42Å; P674-L776 HydrophobicContact CB-CD2 3.88Å; P674-L776 HydrophobicContact CB-CG 4.16Å; P674-L776 HydrophobicContact CG-CB 4.28Å; P674-L776 HydrophobicContact CG-CD2 4.4Å; P674-L776 HydrophobicContact CG-CG 4.13Å; L772-L776 WeakPolarHBondContact O-CB 3.24Å; L772-L776 PolarHBondContact O-N 2.85Å; N774-L776 VanDerWaalsContact C-N 3.3Å; N774-L776 PolarHBondContact O-N 3.38Å; L776-Q778 PolarHBondContact O-N 3.01Å; L776-S779 PolarHBondContact O-N 3.47Å; L776-S779 VanDerWaalsContact O-N 3.09Å; L776-L780 HydrophobicContact CD1-CD1 3.75Å; L776-L780 HydrophobicContact CD1-CD2 4.19Å; L776-L780 HydrophobicContact CD1-CG 3.79Å; L776-L780 HydrophobicContact CG-CD1 3.76Å; L776-L780 HydrophobicContact CG-CG 4.27Å; L776-L780 WeakPolarHBondContact O-CG 3.46Å; L776-L780 PolarHBondContact O-N 2.81Å |
| 777 | K | 95.1 | Very high | 93.9 | Very high | 117 Ų | 117 | 58 Ų | 58 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -31.5 | 174 | -170 | -177.7 | 177.4 | -176.3 | 0 | 112.3 | P674 A773 N774 | P674-K777 HydrophobicContact CG-CB 3.95Å; A773-K777 WeakPolarHBondContact O-CB 3.44Å; A773-K777 PolarHBondContact O-N 3.2Å; N774-K777 WeakPolarHBondContact O-CB 3.26Å; N774-K777 PolarHBondContact O-N 3.37Å |
| 778 | Q | 94.4 | Very high | 94 | Very high | 134 Ų | 134 | 56.1 Ų | 56.1 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -83.4 | -14 | 177.2 | -63.8 | 163.1 | 26.9 | 0 | 0 | 113.4 | N774 R775 L776 | N774-Q778 VanDerWaalsContact CG-NE2 3.33Å; N774-Q778 PolarHBondContact ND2-NE2 3.18Å; N774-Q778 VanDerWaalsContact ND2-NE2 3.12Å; N774-Q778 WeakPolarHBondContact O-CG 3.42Å; N774-Q778 PolarHBondContact O-N 2.81Å; N774-Q778 PolarHBondContact O-NE2 2.98Å; N774-Q778 PolarHBondContact OD1-NE2 2.99Å; R775-Q778 PolarHBondContact O-N 2.72Å; L776-Q778 PolarHBondContact O-N 3.01Å |
| 779 | S | 95.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -110.1 | 2 | -171.6 | -56.5 | 0 | 0 | 0 | 0 | 114.1 | G477 A481 R775 L776 | G477-S779 WeakPolarHBondContact CA-O 3.46Å; G477-S779 WeakPolarHBondContact O-CB 3.42Å; A481-S779 WeakPolarHBondContact CA-OG 3.39Å; A481-S779 PolarHBondContact N-OG 3.4Å; R775-S779 WeakPolarHBondContact O-CB 3.4Å; R775-S779 PolarHBondContact O-N 3.31Å; R775-S779 VanDerWaalsContact O-N 3.17Å; R775-S779 PolarHBondContact O-OG 3.12Å; L776-S779 PolarHBondContact O-N 3.47Å; L776-S779 VanDerWaalsContact O-N 3.09Å |
| 780 | L | 96 | Very high | 94.2 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.12 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -110.9 | 161.3 | 178.9 | -70.6 | 172.2 | 0 | 0 | 0 | 111 | I474 I662 L776 L786 | I474-L780 HydrophobicContact CD1-CD1 4.24Å; I474-L780 HydrophobicContact CD1-CD2 3.8Å; I662-L780 HydrophobicContact CD1-CD1 3.79Å; I662-L780 HydrophobicContact CG1-CD1 3.92Å; L776-L780 HydrophobicContact CD1-CD1 3.75Å; L776-L780 HydrophobicContact CD1-CD2 4.19Å; L776-L780 HydrophobicContact CD1-CG 3.79Å; L776-L780 HydrophobicContact CG-CD1 3.76Å; L776-L780 HydrophobicContact CG-CG 4.27Å; L776-L780 WeakPolarHBondContact O-CG 3.46Å; L776-L780 PolarHBondContact O-N 2.81Å; L780-L786 HydrophobicContact CB-CD1 4.04Å; L780-L786 HydrophobicContact CB-CD2 4.49Å; L780-L786 HydrophobicContact CD1-CD1 4.07Å; L780-L786 HydrophobicContact CD2-CD2 4.5Å |
| 781 | P | 94.9 | Very high | 94.2 | Very high | 44 Ų | 44 | 48 Ų | 48 | 29% | 0.286 | 24% | 0.241 | S | C | . | . | trans | -56.2 | 171.1 | 165.3 | -24.1 | 34.1 | 0 | 0 | 0 | 113.5 | V473 E785 L786 | V473-P781 HydrophobicContact CG1-CG 3.86Å; P781-E785 HydrophobicContact CB-CB 4.33Å; P781-E785 HydrophobicContact CB-CG 4.3Å; P781-L786 HydrophobicContact CB-CD2 4.49Å; P781-L786 HydrophobicContact CB-CG 4.46Å; P781-L786 HydrophobicContact CG-CD2 4.4Å | ||
| 782 | D | 93.1 | Very high | 94.2 | Very high | 107 Ų | 107 | 52.6 Ų | 52.6 | 57% | 0.572 | 27% | 0.265 | S | S | * | . | trans | -57.8 | 150.5 | 175.6 | -179.2 | 67.1 | 0 | 0 | 0 | 111.7 | D784 E785 L786 | D782-D784 VanDerWaalsContact C-N 3.25Å; D782-D784 PolarHBondContact O-N 3.31Å; D782-D784 PolarHBondContact OD2-N 3.48Å; D782-E785 WeakPolarHBondContact O-CB 3.37Å; D782-E785 PolarHBondContact O-N 3.35Å; D782-L786 WeakPolarHBondContact O-CG 3.35Å; D782-L786 PolarHBondContact O-N 3Å | ||
| 783 | W | 91.7 | Very high | 94 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -36.1 | -177.1 | -168.1 | -86 | 0 | 0 | 0 | 113.2 | I662 K672 S673 P676 L786 M787 | I662-W783 HydrophobicContact CD1-CH2 4.11Å; I662-W783 HydrophobicContact CD1-CZ3 3.66Å; I662-W783 HydrophobicContact CG2-CH2 4.44Å; K672-W783 HydrophobicContact CB-CB 4.37Å; K672-W783 HydrophobicContact CB-CD2 3.8Å; K672-W783 HydrophobicContact CB-CE3 4.32Å; K672-W783 HydrophobicContact CB-CG 3.79Å; K672-W783 HydrophobicContact CD-CB 3.98Å; K672-W783 HydrophobicContact CD-CG 3.74Å; K672-W783 HydrophobicContact CG-CD2 4.17Å; K672-W783 HydrophobicContact CG-CG 3.81Å; S673-W783 VanDerWaalsContact C-CZ3 3.43Å; S673-W783 WeakPolarHBondContact O-CH2 3.41Å; P676-W783 HydrophobicContact CG-CH2 4.24Å; W783-L786 HydrophobicContact CE3-CD1 4.41Å; W783-L786 PolarHBondContact O-N 3.39Å; W783-M787 HydrophobicContact CZ2-CE 3.81Å; W783-M787 HydrophobicContact CZ2-SD 4.49Å; W783-M787 VanDerWaalsContact O-CG 3.26Å; W783-M787 WeakPolarHBondContact O-CG 3.13Å; W783-M787 PolarHBondContact O-N 3.22Å |
| 784 | D | 91.9 | Very high | 93.8 | Very high | 83 Ų | 83 | 52.7 Ų | 52.7 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -78.8 | -26 | -177.1 | -65.3 | -19.7 | 0 | 0 | 0 | 111.7 | K672 D782 L788 | K672-D784 IonicContact NZ-OD1 2.93Å; K672-D784 PolarHBondContact NZ-OD1 2.85Å; K672-D784 IonicContact NZ-OD2 2.78Å; K672-D784 PolarHBondContact NZ-OD2 3.29Å; D782-D784 VanDerWaalsContact C-N 3.25Å; D782-D784 PolarHBondContact O-N 3.31Å; D782-D784 PolarHBondContact OD2-N 3.48Å; D784-L788 WeakPolarHBondContact O-CG 3.41Å; D784-L788 PolarHBondContact O-N 3.14Å; D784-L788 VanDerWaalsContact O-N 3.13Å |
| 785 | E | 95 | Very high | 93.3 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.2 | -45.5 | 165.7 | -171 | -174.9 | 157.8 | 0 | 0 | 111.6 | P781 D782 M787 L788 L789 | P781-E785 HydrophobicContact CB-CB 4.33Å; P781-E785 HydrophobicContact CB-CG 4.3Å; D782-E785 WeakPolarHBondContact O-CB 3.37Å; D782-E785 PolarHBondContact O-N 3.35Å; E785-M787 VanDerWaalsContact C-N 3.26Å; E785-M787 PolarHBondContact O-N 2.89Å; E785-L788 WeakPolarHBondContact O-CB 3.45Å; E785-L788 PolarHBondContact O-N 2.85Å; E785-L788 VanDerWaalsContact O-N 3.1Å; E785-L789 PolarHBondContact O-N 3.15Å |
| 786 | L | 94.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.3 | -38.8 | 173.4 | -73.5 | 176.8 | 0 | 0 | 0 | 112.2 | V473 I474 I662 L780 P781 D782 W783 L790 | V473-L786 HydrophobicContact CG1-CD2 4.2Å; I474-L786 HydrophobicContact CD1-CD2 3.83Å; I662-L786 HydrophobicContact CD1-CD1 4.26Å; L780-L786 HydrophobicContact CB-CD1 4.04Å; L780-L786 HydrophobicContact CB-CD2 4.49Å; L780-L786 HydrophobicContact CD1-CD1 4.07Å; L780-L786 HydrophobicContact CD2-CD2 4.5Å; P781-L786 HydrophobicContact CB-CD2 4.49Å; P781-L786 HydrophobicContact CB-CG 4.46Å; P781-L786 HydrophobicContact CG-CD2 4.4Å; D782-L786 WeakPolarHBondContact O-CG 3.35Å; D782-L786 PolarHBondContact O-N 3Å; W783-L786 HydrophobicContact CE3-CD1 4.41Å; W783-L786 PolarHBondContact O-N 3.39Å; L786-L790 VanDerWaalsContact O-CB 3.25Å; L786-L790 WeakPolarHBondContact O-CB 3.28Å; L786-L790 PolarHBondContact O-N 2.9Å |
| 787 | M | 92.8 | Very high | 90.3 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.4 | -32 | 176.9 | -70.1 | -58.9 | 101.5 | 0 | 0 | 112.5 | I662 P664 W783 E785 L790 N791 | I662-M787 HydrophobicContact CG2-CE 3.85Å; P664-M787 HydrophobicContact CB-SD 4.48Å; W783-M787 HydrophobicContact CZ2-CE 3.81Å; W783-M787 HydrophobicContact CZ2-SD 4.49Å; W783-M787 VanDerWaalsContact O-CG 3.26Å; W783-M787 WeakPolarHBondContact O-CG 3.13Å; W783-M787 PolarHBondContact O-N 3.22Å; E785-M787 VanDerWaalsContact C-N 3.26Å; E785-M787 PolarHBondContact O-N 2.89Å; M787-L790 HydrophobicContact CE-CD1 4.02Å; M787-N791 VanDerWaalsContact O-CB 3.31Å; M787-N791 WeakPolarHBondContact O-CB 3.13Å; M787-N791 PolarHBondContact O-N 3.44Å; M787-N791 PolarHBondContact O-ND2 2.95Å |
| 788 | L | 93.7 | Very high | 88.1 | Confident | 112 Ų | 112 | 68 Ų | 68 | 59% | 0.586 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.1 | -52.3 | 170.1 | -73.1 | 168.3 | 0 | 0 | 0 | 110.9 | D784 E785 L790 N791 D792 | D784-L788 WeakPolarHBondContact O-CG 3.41Å; D784-L788 PolarHBondContact O-N 3.14Å; D784-L788 VanDerWaalsContact O-N 3.13Å; E785-L788 WeakPolarHBondContact O-CB 3.45Å; E785-L788 PolarHBondContact O-N 2.85Å; E785-L788 VanDerWaalsContact O-N 3.1Å; L788-L790 VanDerWaalsContact C-N 3.28Å; L788-L790 PolarHBondContact O-N 3.02Å; L788-N791 WeakPolarHBondContact O-CA 3.48Å; L788-N791 WeakPolarHBondContact O-CB 3.28Å; L788-N791 PolarHBondContact O-N 3.26Å; L788-D792 PolarHBondContact O-N 2.6Å |
| 789 | L | 94.5 | Very high | 85.2 | Confident | 45 Ų | 45 | 66 Ų | 66 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57 | -40.6 | 176.6 | -68.3 | 171.8 | 0 | 0 | 0 | 112.2 | F470 V473 E785 A793 | F470-L789 HydrophobicContact CD2-CB 4.12Å; V473-L789 HydrophobicContact CB-CD1 4.49Å; V473-L789 HydrophobicContact CG1-CD1 4.26Å; V473-L789 HydrophobicContact CG2-CD1 4.17Å; E785-L789 PolarHBondContact O-N 3.15Å; L789-A793 WeakPolarHBondContact O-CB 3.33Å; L789-A793 PolarHBondContact O-N 2.85Å |
| 790 | L | 92.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 175.2 | -171.8 | 154.5 | 0 | 0 | 0 | 111.8 | L421 F470 L637 I662 P664 L786 M787 L788 F794 | L421-L790 HydrophobicContact CD2-CD1 4.27Å; F470-L790 HydrophobicContact CD2-CB 4.08Å; F470-L790 HydrophobicContact CE2-CB 3.7Å; F470-L790 HydrophobicContact CE2-CD1 4.08Å; F470-L790 HydrophobicContact CE2-CG 4.12Å; F470-L790 HydrophobicContact CZ-CB 4.32Å; F470-L790 HydrophobicContact CZ-CD1 3.95Å; F470-L790 HydrophobicContact CZ-CG 4.24Å; L637-L790 HydrophobicContact CD1-CD2 3.85Å; I662-L790 HydrophobicContact CG2-CD1 4.32Å; P664-L790 HydrophobicContact CG-CD1 4.16Å; P664-L790 HydrophobicContact CG-CD2 3.7Å; L786-L790 VanDerWaalsContact O-CB 3.25Å; L786-L790 WeakPolarHBondContact O-CB 3.28Å; L786-L790 PolarHBondContact O-N 2.9Å; M787-L790 HydrophobicContact CE-CD1 4.02Å; L788-L790 VanDerWaalsContact C-N 3.28Å; L788-L790 PolarHBondContact O-N 3.02Å; L790-F794 HydrophobicContact CG-CD2 4.41Å; L790-F794 PolarHBondContact O-N 2.81Å |
| 791 | N | 91.4 | Very high | 78.8 | Confident | 58 Ų | 58 | 77.1 Ų | 77.1 | 31% | 0.31 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.4 | -75.7 | -33.5 | 0 | 0 | 0 | 112.4 | R640 M787 L788 F794 P795 | R640-N791 VanDerWaalsContact CZ-OD1 3.29Å; R640-N791 PolarHBondContact NH1-OD1 3.24Å; R640-N791 PolarHBondContact NH2-OD1 3.44Å; M787-N791 VanDerWaalsContact O-CB 3.31Å; M787-N791 WeakPolarHBondContact O-CB 3.13Å; M787-N791 PolarHBondContact O-N 3.44Å; M787-N791 PolarHBondContact O-ND2 2.95Å; L788-N791 WeakPolarHBondContact O-CA 3.48Å; L788-N791 WeakPolarHBondContact O-CB 3.28Å; L788-N791 PolarHBondContact O-N 3.26Å; N791-F794 CarbonylContact O-C 3.57Å; N791-P795 VanDerWaalsContact O-CA 3.26Å; N791-P795 WeakPolarHBondContact O-CA 3.28Å |
| 792 | D | 92.1 | Very high | 75.6 | Confident | 98 Ų | 98 | 82.2 Ų | 82.2 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.4 | -36.1 | 177.4 | -69.3 | -17.5 | 0 | 0 | 0 | 112.1 | Q466 L788 F794 | Q466-D792 HydrophobicContact CB-CB 4.33Å; Q466-D792 HydrophobicContact CG-CB 4.21Å; L788-D792 PolarHBondContact O-N 2.6Å; D792-F794 VanDerWaalsContact C-N 3.32Å; D792-F794 PolarHBondContact O-N 2.7Å |
| 793 | A | 92 | Very high | 72.5 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.4 | -26.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R467 F470 L789 | R467-A793 PolarHBondContact NH1-O 3.15Å; F470-A793 HydrophobicContact CB-CB 3.59Å; F470-A793 HydrophobicContact CD1-CB 4.48Å; F470-A793 HydrophobicContact CG-CB 4.06Å; L789-A793 WeakPolarHBondContact O-CB 3.33Å; L789-A793 PolarHBondContact O-N 2.85Å |
| 794 | F | 89.9 | Confident | 69.5 | Low | 9 Ų | 9 | 91.5 Ų | 91.5 | 4% | 0.039 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -136.6 | 75.2 | 178.6 | -58.2 | -99.5 | 0 | 0 | 0 | 110.7 | L421 F470 P636 L637 R640 L790 N791 D792 | L421-F794 HydrophobicContact CD2-CD2 4.33Å; L421-F794 HydrophobicContact CD2-CE2 3.59Å; L421-F794 HydrophobicContact CD2-CZ 3.73Å; L421-F794 HydrophobicContact CG-CZ 4.23Å; F470-F794 HydrophobicContact CD1-CE2 4.04Å; F470-F794 HydrophobicContact CE1-CE2 4.15Å; P636-F794 HydrophobicContact CB-CE1 4.5Å; L637-F794 HydrophobicContact CD1-CG 4.47Å; R640-F794 WeakPolarHBondContact CD-O 3.31Å; R640-F794 PolarHBondContact NH1-O 2.72Å; L790-F794 HydrophobicContact CG-CD2 4.41Å; L790-F794 PolarHBondContact O-N 2.81Å; N791-F794 CarbonylContact O-C 3.57Å; D792-F794 VanDerWaalsContact C-N 3.32Å; D792-F794 PolarHBondContact O-N 2.7Å |
| 795 | P | 84.1 | Confident | 66.5 | Low | 71 Ų | 71 | 92.5 Ų | 92.5 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 139.4 | -174.3 | -28.3 | 37.4 | 0 | 0 | 0 | 114.4 | V463 N791 | V463-P795 HydrophobicContact CG1-CG 3.96Å; N791-P795 VanDerWaalsContact O-CA 3.26Å; N791-P795 WeakPolarHBondContact O-CA 3.28Å |
| 796 | L | 71.6 | Confident | 63.2 | Low | 112 Ų | 112 | 95.2 Ų | 95.2 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -77 | 131.7 | 169.7 | -65.4 | 175 | 0 | 0 | 0 | 109.9 | R640 K798 | R640-L796 HydrophobicContact CG-CD2 3.87Å; L796-K798 PolarHBondContact O-N 2.92Å |
| 797 | M | 59.5 | Low | 60.2 | Low | 157 Ų | 157 | 100.4 Ų | 100.4 | 77% | 0.773 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 123 | 171.5 | -70.5 | -151.5 | 86.7 | 0 | 0 | 110.7 | T642 S799 | T642-M797 HydrophobicContact CG2-CG 3.97Å; T642-M797 HydrophobicContact CG2-SD 3.4Å; T642-M797 WeakPolarHBondContact CG2-SD 3.26Å; M797-S799 PolarHBondContact O-N 3.25Å |
| 798 | K | 48.2 | Very low | 57.3 | Low | 192 Ų | 192 | 109 Ų | 109 | 84% | 0.835 | 56% | 0.563 | S | S | * | * | trans | -66.8 | 113.1 | 167.7 | -65.4 | 178.2 | -177.9 | 175 | 0 | 108.6 | L796 H800 | L796-K798 PolarHBondContact O-N 2.92Å; K798-H800 PolarHBondContact O-N 2.71Å; K798-H800 VanDerWaalsContact O-N 3.15Å | ||
| 799 | S | 33.9 | Very low | 54.2 | Low | 91 Ų | 91 | 112.1 Ų | 112.1 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | trans | -60.5 | 119.4 | 169.9 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | M797 N801 | M797-S799 PolarHBondContact O-N 3.25Å; S799-N801 WeakPolarHBondContact CB-OD1 3.48Å; S799-N801 PolarHBondContact O-N 3.41Å; S799-N801 PolarHBondContact OG-OD1 2.79Å | ||
| 800 | H | 30.6 | Very low | 51.2 | Low | 170 Ų | 170 | 117.7 Ų | 117.7 | 79% | 0.787 | 61% | 0.609 | S | S | * | * | trans | -73.1 | 74.9 | 161.5 | -87.4 | 12.6 | 0 | 0 | 0 | 108.9 | K798 N802 | K798-H800 PolarHBondContact O-N 2.71Å; K798-H800 VanDerWaalsContact O-N 3.15Å; H800-N802 VanDerWaalsContact C-N 3.33Å; H800-N802 PolarHBondContact O-N 3.05Å | ||
| 801 | N | 27.4 | Very low | 48.2 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | trans | -62.8 | 98.1 | 165.1 | -78.2 | 8.4 | 0 | 0 | 0 | 107.8 | S799 N803 | S799-N801 WeakPolarHBondContact CB-OD1 3.48Å; S799-N801 PolarHBondContact O-N 3.41Å; S799-N801 PolarHBondContact OG-OD1 2.79Å; N801-N803 PolarHBondContact O-N 3.23Å | ||
| 802 | N | 27.1 | Very low | 45.3 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 67% | 0.667 | S | S | * | * | trans | -70.1 | 40.7 | 173.2 | -94.7 | -31.1 | 0 | 0 | 0 | 112.7 | H800 K804 | H800-N802 VanDerWaalsContact C-N 3.33Å; H800-N802 PolarHBondContact O-N 3.05Å; N802-K804 PolarHBondContact O-N 2.75Å; N802-K804 VanDerWaalsContact O-N 3.17Å | ||
| 803 | N | 28.8 | Very low | 42.5 | Very low | 127 Ų | 127 | 132 Ų | 132 | 68% | 0.679 | 68% | 0.676 | S | S | * | * | trans | -84.2 | 85 | 172.2 | -81.1 | 0.8 | 0 | 0 | 0 | 109.1 | N801 V805 | N801-N803 PolarHBondContact O-N 3.23Å; N803-V805 HydrophobicContact CB-CG2 4.25Å; N803-V805 PolarHBondContact O-N 3.01Å | ||
| 804 | K | 27.2 | Very low | 39.7 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | trans | -65.1 | 74.8 | 161.5 | -78.7 | -174.8 | 173.6 | 179.4 | 0 | 110 | N802 N806 | N802-K804 PolarHBondContact O-N 2.75Å; N802-K804 VanDerWaalsContact O-N 3.17Å; K804-N806 PolarHBondContact O-N 2.96Å | ||
| 805 | V | 30.3 | Very low | 36.9 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 63% | 0.63 | 74% | 0.744 | S | S | * | * | trans | -76.9 | 106.2 | 170.7 | 175.9 | 0 | 0 | 0 | 0 | 108.3 | N803 T807 | N803-V805 HydrophobicContact CB-CG2 4.25Å; N803-V805 PolarHBondContact O-N 3.01Å; V805-T807 HydrophobicContact CG1-CG2 4.07Å; V805-T807 PolarHBondContact O-N 2.87Å | ||
| 806 | N | 25.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -72.5 | 85.9 | 174.1 | -75.8 | -31.6 | 0 | 0 | 0 | 110.8 | K804 | K804-N806 PolarHBondContact O-N 2.96Š| ||
| 807 | T | 31.9 | Very low | 32.6 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | trans | -109.6 | 114.6 | 164.5 | 40.4 | 0 | 0 | 0 | 0 | 110.3 | V805 L809 | V805-T807 HydrophobicContact CG1-CG2 4.07Å; V805-T807 PolarHBondContact O-N 2.87Å; T807-L809 PolarHBondContact O-N 2.69Å | ||
| 808 | K | 31.3 | Very low | 31.2 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | -60.8 | 130.4 | -179 | -62.5 | 171 | 179.6 | 175.2 | 0 | 110.2 | N810 | K808-N810 PolarHBondContact O-N 3.18Š| ||
| 809 | L | 27.7 | Very low | 30.6 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -63.2 | 121.4 | 158.1 | -80 | 86.1 | 0 | 0 | 0 | 107.8 | T807 | T807-L809 PolarHBondContact O-N 2.69Š| ||
| 810 | N | 31 | Very low | 30.3 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -114.5 | 135.1 | 163.9 | -134.1 | 5.3 | 0 | 0 | 0 | 108 | K808 | K808-N810 PolarHBondContact O-N 3.18Š| ||
| 811 | K | 29.9 | Very low | 30.5 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -70.8 | 143 | -178.8 | -57.9 | 169.8 | -178.4 | 175.2 | 0 | 109.3 | ||||
| 812 | N | 32.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 152.7 Ų | 152.7 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | 173.8 | 134.3 | 112 | -84.5 | -16.2 | 0 | 0 | 0 | 113.6 | |||||
| 813 | N | 33.2 | Very low | 31 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 60.5 | 113.4 | 135.8 | -60 | -2.9 | 0 | 0 | 0 | 122.1 | ||||
| 814 | S | 32 | Very low | 31 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | 94.8 | 117.2 | 109.8 | 70.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 815 | V | 31.3 | Very low | 31.3 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | 73.5 | 109.3 | 127.2 | 176.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 816 | L | 33.9 | Very low | 31.5 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | -156.2 | 140 | 109.4 | -111.3 | 147.5 | 0 | 0 | 0 | 112.7 | |||||
| 817 | N | 31.4 | Very low | 31.9 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -90.1 | -179.8 | 168.1 | -75.9 | -79.3 | 0 | 0 | 0 | 108.7 | ||||
| 818 | K | 30.8 | Very low | 32.1 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | cis | -168 | -176.8 | 17.8 | -144.1 | 160.6 | -169.4 | -179.2 | 0 | 109.7 | ||||
| 819 | M | 34 | Very low | 32.4 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 89% | 0.892 | 77% | 0.765 | S | S | * | * | trans | 75.9 | 127.2 | 169.4 | -50.1 | 178.4 | -69.9 | 0 | 0 | 116 | ||||
| 820 | G | 28.5 | Very low | 32.5 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | cis | 114.8 | 114.6 | -21.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 821 | H | 35.2 | Very low | 32.6 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 94% | 0.94 | 74% | 0.739 | S | S | * | * | trans | -150.3 | 165 | 159.9 | -115.3 | -90.2 | 0 | 0 | 0 | 111 | ||||
| 822 | K | 30.4 | Very low | 32.7 | Very low | 203 Ų | 203 | 137.9 Ų | 137.9 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -133.4 | 146.3 | -168.8 | -67.2 | 179 | 173.2 | -176.2 | 0 | 114.2 | ||||
| 823 | S | 33.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | -169.3 | 127.1 | 138 | 46.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 824 | S | 29.4 | Very low | 32.5 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | 65.1 | 116 | 53.7 | 77.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 825 | S | 33.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | cis | -152.4 | -158.9 | 3.8 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 826 | D | 35.5 | Very low | 32.3 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | cis | -160.1 | -172.4 | 8.4 | -135.3 | -52.3 | 0 | 0 | 0 | 113.5 | ||||
| 827 | N | 33.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | trans | -30.1 | 149 | 164.6 | -66.8 | -45.1 | 0 | 0 | 0 | 116.7 | ||||
| 828 | H | 36.7 | Very low | 31.8 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 63% | 0.625 | 75% | 0.748 | S | S | * | * | cis | -157.2 | -177.5 | 16.2 | -123.6 | 11.7 | 0 | 0 | 0 | 109.3 | ||||
| 829 | H | 36.2 | Very low | 31.5 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | cis | -148.1 | -126.5 | 16.4 | -146.3 | -20.6 | 0 | 0 | 0 | 113.2 | ||||
| 830 | Q | 29.5 | Very low | 31.3 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | trans | -140 | 169.7 | -166.8 | -87.8 | 152.9 | -88.5 | 0 | 0 | 109.6 | ||||
| 831 | E | 33.7 | Very low | 31.2 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 64% | 0.64 | 75% | 0.751 | S | S | * | * | cis | -160.4 | 168.7 | 20.9 | -143 | 167.3 | -113.9 | 0 | 0 | 117.1 | ||||
| 832 | Q | 31.2 | Very low | 30.7 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | 79.3 | 122 | 157.8 | -53.8 | -164.6 | 21 | 0 | 0 | 122.1 | ||||
| 833 | Q | 30.1 | Very low | 30.6 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -119.6 | -155.8 | 170.5 | -54.1 | 179.4 | -2.8 | 0 | 0 | 107 | ||||
| 834 | Q | 31.9 | Very low | 30.2 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | cis | -148.5 | 137.1 | 10.9 | -118.4 | 139.6 | 43.7 | 0 | 0 | 106.7 | ||||
| 835 | Q | 28.7 | Very low | 30.1 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | 47.7 | 130.3 | 94.1 | -56 | -175.9 | 4.2 | 0 | 0 | 116.9 | |||||
| 836 | Q | 30.4 | Very low | 29.4 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | -158.7 | 139.1 | 124.8 | -113.2 | 165.8 | 72.5 | 0 | 0 | 111.9 | |||||
| 837 | Q | 24.2 | Very low | 28.9 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -122.5 | 151.2 | 165.6 | -75.7 | -175.7 | -12.7 | 0 | 0 | 108.1 | ||||
| 838 | H | 31.7 | Very low | 28.4 | Very low | 185 Ų | 185 | 149.3 Ų | 149.3 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -141.3 | 145.9 | 160.7 | -102.8 | 39.3 | 0 | 0 | 0 | 110.6 | ||||
| 839 | Q | 23.5 | Very low | 28 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -113.9 | 141.4 | 177.5 | -62.2 | 175 | -18.4 | 0 | 0 | 109.6 | ||||
| 840 | I | 29.5 | Very low | 27.4 | Very low | 168 Ų | 168 | 150 Ų | 150 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -137.4 | 154.9 | 159.4 | -64.3 | -172.1 | 0 | 0 | 0 | 109.6 | ||||
| 841 | T | 27.2 | Very low | 27.3 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -98.2 | 144.8 | -151.6 | 50.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 842 | S | 23.7 | Very low | 26.9 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 26.2 | 138.4 | 140.1 | 65.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 843 | S | 28.9 | Very low | 26.9 | Very low | 125 Ų | 125 | 147 Ų | 147 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -165.3 | 171.5 | 133 | 25.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 844 | E | 25.1 | Very low | 26.6 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | trans | -107.4 | 161 | -164.9 | -55.6 | 171.7 | 126.4 | 0 | 0 | 113.6 | ||||
| 845 | G | 27 | Very low | 26.4 | Very low | 81 Ų | 81 | 148.9 Ų | 148.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 174.5 | 130.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 846 | C | 20 | Very low | 26.1 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -134.3 | 140 | -176.2 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 847 | F | 24.6 | Very low | 26 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -153.5 | 141.5 | 164.1 | -119.9 | -81.2 | 0 | 0 | 0 | 112.2 | ||||
| 848 | V | 22.6 | Very low | 26.1 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | -145.6 | 132.4 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 849 | P | 28.2 | Very low | 25.8 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -143.6 | 175.3 | 139.2 | 38.3 | -24.5 | 0 | 0 | 0 | 114 | ||||
| 850 | K | 24.9 | Very low | 26 | Very low | 179 Ų | 179 | 138 Ų | 138 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | cis | -179.1 | 142.7 | -44.7 | -155.1 | -179.1 | 179.2 | -179.6 | 0 | 106.9 | ||||
| 851 | L | 25.6 | Very low | 25.9 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | trans | 67.2 | 150.9 | 168.5 | -68.4 | 145.1 | 0 | 0 | 0 | 115.7 | ||||
| 852 | S | 26.9 | Very low | 25.9 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | cis | -153.1 | 176 | -6.4 | 44.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 853 | D | 29.7 | Very low | 26.1 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 93.1 | 100.9 | 148.9 | -62 | -48.5 | 0 | 0 | 0 | 122.9 | ||||
| 854 | I | 25.5 | Very low | 26 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | 106.6 | 111.3 | 122.3 | -71 | 171.2 | 0 | 0 | 0 | 119.8 | |||||
| 855 | K | 26.8 | Very low | 26.2 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | 81 | 145.3 | 155.1 | -76.2 | 164.5 | -172.2 | 174.5 | 0 | 119.6 | ||||
| 856 | M | 21.6 | Very low | 27 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 94% | 0.941 | 77% | 0.772 | S | S | * | * | trans | -123.6 | 150.6 | -163.7 | -62.2 | 157.2 | 55.8 | 0 | 0 | 110.9 | ||||
| 857 | S | 28 | Very low | 28.6 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -145.5 | 145.6 | 152.3 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 858 | S | 27 | Very low | 30.8 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -37.9 | 139.9 | -173.8 | 48.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 859 | P | 25.1 | Very low | 33.8 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 132.7 | 174.3 | 32.1 | -34.1 | 0 | 0 | 0 | 112.3 | ||
| 860 | S | 28.9 | Very low | 36.6 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 150.4 | 166.7 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 861 | L | 26.2 | Very low | 39.8 | Very low | 153 Ų | 153 | 114.3 Ų | 114.3 | 80% | 0.801 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 155.3 | 176.5 | -73.1 | 160.4 | 0 | 0 | 0 | 111.7 | V863 | L861-V863 PolarHBondContact O-N 2.89Å; L861-V863 VanDerWaalsContact O-N 3.14Å |
| 862 | P | 26.7 | Very low | 43 | Very low | 129 Ų | 129 | 107.2 Ų | 107.2 | 84% | 0.838 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 116.4 | 177.4 | 26 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 863 | V | 28.3 | Very low | 46.1 | Very low | 101 Ų | 101 | 104.3 Ų | 104.3 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 139.8 | 179.9 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | L861 D867 | L861-V863 PolarHBondContact O-N 2.89Å; L861-V863 VanDerWaalsContact O-N 3.14Å; V863-D867 HydrophobicContact CG1-CB 3.79Å |
| 864 | N | 27.1 | Very low | 49.2 | Very low | 118 Ų | 118 | 98.2 Ų | 98.2 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.1 | 175.6 | -96.3 | -40.8 | 0 | 0 | 0 | 110.7 | T866 D867 | N864-T866 PolarHBondContact O-N 2.79Å; N864-D867 WeakPolarHBondContact O-CB 3.45Å; N864-D867 PolarHBondContact O-N 3.35Å |
| 865 | P | 30.4 | Very low | 52.5 | Low | 124 Ų | 124 | 92.3 Ų | 92.3 | 81% | 0.805 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -16.4 | 178.6 | -27.1 | 35.6 | 0 | 0 | 0 | 115.5 | ||
| 866 | T | 43.9 | Very low | 55.8 | Low | 128 Ų | 128 | 82.8 Ų | 82.8 | 79% | 0.785 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9 | 176.6 | 49.9 | 0 | 0 | 0 | 0 | 114.6 | N864 | N864-T866 PolarHBondContact O-N 2.79Š|
| 867 | D | 53.4 | Low | 59.3 | Low | 67 Ų | 67 | 76.1 Ų | 76.1 | 36% | 0.358 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -95.9 | 5.4 | -172.6 | -160.7 | 6.6 | 0 | 0 | 0 | 113.5 | V863 N864 R999 | V863-D867 HydrophobicContact CG1-CB 3.79Å; N864-D867 WeakPolarHBondContact O-CB 3.45Å; N864-D867 PolarHBondContact O-N 3.35Å; D867-R999 PolarHBondContact O-NH1 2.99Å; D867-R999 IonicContact OD1-NH1 3.16Å; D867-R999 PolarHBondContact OD1-NH1 3.42Å |
| 868 | E | 69.2 | Low | 62.5 | Low | 123 Ų | 123 | 70.5 Ų | 70.5 | 58% | 0.575 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -80.2 | -42.6 | -179.2 | -162.4 | 167.9 | -141.1 | 0 | 0 | 112 | N870 R873 | E868-N870 PolarHBondContact O-N 3.25Å; E868-R873 PolarHBondContact O-NH1 3.13Å |
| 869 | L | 85.6 | Confident | 65.8 | Low | 52 Ų | 52 | 65.4 Ų | 65.4 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -99.4 | 76.6 | -178.2 | -171.6 | 61.4 | 0 | 0 | 0 | 111.8 | L1011 Q1014 L1015 W1029 | L869-L1011 HydrophobicContact CD1-CD1 3.88Å; L869-Q1014 HydrophobicContact CD1-CB 3.58Å; L869-L1015 HydrophobicContact CD1-CD2 3.57Å; L869-L1015 HydrophobicContact CD1-CG 3.98Å; L869-L1015 HydrophobicContact CG-CD2 4.2Å; L869-W1029 HydrophobicContact CD1-CZ2 4.49Å; L869-W1029 HydrophobicContact CD2-CZ2 4.2Å; L869-W1029 HydrophobicContact CG-CH2 4.21Å; L869-W1029 HydrophobicContact CG-CZ2 3.94Å; L869-W1029 WeakPolarHBondContact O-CH2 3.29Å |
| 870 | N | 87.2 | Confident | 69.2 | Low | 33 Ų | 33 | 60.2 Ų | 60.2 | 18% | 0.176 | 34% | 0.342 | C | S | . | . | trans | -122.5 | 123.6 | 178.2 | -179.4 | -27.6 | 0 | 0 | 0 | 109.9 | E868 N872 R873 | E868-N870 PolarHBondContact O-N 3.25Å; N870-N872 VanDerWaalsContact C-N 3.3Å; N870-N872 PolarHBondContact O-N 3.33Å; N870-N872 WeakPolarHBondContact OD1-CB 3.22Å; N870-N872 PolarHBondContact OD1-N 3.39Å; N870-R873 HydrophobicContact CB-CG 4.45Å; N870-R873 WeakPolarHBondContact O-CB 3.41Å; N870-R873 WeakPolarHBondContact O-CG 3.46Å; N870-R873 PolarHBondContact O-N 3.11Å | ||
| 871 | P | 92 | Very high | 72.5 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -70.4 | -21.5 | -175.5 | 31.4 | -38.6 | 0 | 0 | 0 | 113.9 | R873 L874 F981 L1015 W1029 L1032 | P871-R873 PolarHBondContact O-N 3.18Å; P871-R873 VanDerWaalsContact O-N 3.1Å; P871-L874 WeakPolarHBondContact O-CB 3.45Å; P871-L874 WeakPolarHBondContact O-CG 3.33Å; P871-L874 PolarHBondContact O-N 3.1Å; P871-F981 HydrophobicContact CB-CD2 3.55Å; P871-F981 HydrophobicContact CB-CE2 3.78Å; P871-F981 HydrophobicContact CB-CG 4.18Å; P871-F981 HydrophobicContact CG-CB 4.03Å; P871-F981 HydrophobicContact CG-CD2 3.8Å; P871-F981 HydrophobicContact CG-CE2 4.48Å; P871-F981 HydrophobicContact CG-CG 4Å; P871-L1015 HydrophobicContact CB-CD1 4.22Å; P871-L1015 HydrophobicContact CB-CD2 3.97Å; P871-W1029 HydrophobicContact CB-CD2 4.17Å; P871-W1029 HydrophobicContact CB-CE3 4.37Å; P871-W1029 HydrophobicContact CB-CG 4.25Å; P871-W1029 HydrophobicContact CG-CB 4.47Å; P871-W1029 HydrophobicContact CG-CD2 3.87Å; P871-W1029 HydrophobicContact CG-CE3 3.58Å; P871-W1029 HydrophobicContact CG-CG 4.27Å; P871-W1029 HydrophobicContact CG-CZ3 4.07Å; P871-L1032 HydrophobicContact CG-CD1 4.03Å |
| 872 | N | 93.6 | Very high | 75.8 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -70.5 | -7.6 | -179.4 | -66.1 | -9.8 | 0 | 0 | 0 | 113 | N870 L874 R978 F981 W997 R999 | N870-N872 VanDerWaalsContact C-N 3.3Å; N870-N872 PolarHBondContact O-N 3.33Å; N870-N872 WeakPolarHBondContact OD1-CB 3.22Å; N870-N872 PolarHBondContact OD1-N 3.39Å; N872-L874 PolarHBondContact O-N 3.11Å; N872-R978 PolarHBondContact O-NH2 3.49Å; N872-F981 PolarHBondContact ND2-O 2.9Å; N872-F981 WeakPolarHBondContact OD1-CB 3.26Å; N872-F981 PolarHBondContact OD1-N 3.16Å; N872-F981 PolarHBondContact OD1-O 2.83Å; N872-W997 PolarHBondContact ND2-O 3.19Å; N872-R999 HydrophobicContact CB-CB 4.16Å |
| 873 | R | 92.9 | Very high | 79.1 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -65.6 | -22.8 | 165.8 | -66 | 176.7 | 68.4 | -179.9 | -1.1 | 113.3 | E868 N870 P871 N932 D1002 L1011 | E868-R873 PolarHBondContact O-NH1 3.13Å; N870-R873 HydrophobicContact CB-CG 4.45Å; N870-R873 WeakPolarHBondContact O-CB 3.41Å; N870-R873 WeakPolarHBondContact O-CG 3.46Å; N870-R873 PolarHBondContact O-N 3.11Å; P871-R873 PolarHBondContact O-N 3.18Å; P871-R873 VanDerWaalsContact O-N 3.1Å; R873-N932 PolarHBondContact O-ND2 2.94Å; R873-D1002 IonicContact CZ-OD2 2.82Å; R873-D1002 VanDerWaalsContact CZ-OD2 3.25Å; R873-D1002 IonicContact NE-OD1 3.74Å; R873-D1002 PolarHBondContact NE-OD1 2.9Å; R873-D1002 VanDerWaalsContact NE-OD1 3.15Å; R873-D1002 IonicContact NE-OD2 3.79Å; R873-D1002 PolarHBondContact NE-OD2 3.13Å; R873-D1002 IonicContact NH2-OD1 3.61Å; R873-D1002 IonicContact NH2-OD2 2.74Å; R873-D1002 PolarHBondContact NH2-OD2 2.78Å; R873-D1002 PolarHBondContact O-N 3.27Å; R873-L1011 HydrophobicContact CB-CD2 3.55Å; R873-L1011 HydrophobicContact CG-CD2 4.26Å |
| 874 | L | 93.5 | Very high | 82.4 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -71.9 | 144.2 | 172.5 | -58.1 | -177.5 | 0 | 0 | 0 | 110 | P871 N872 I876 V930 R978 L1005 L1011 W1012 L1015 | P871-L874 WeakPolarHBondContact O-CB 3.45Å; P871-L874 WeakPolarHBondContact O-CG 3.33Å; P871-L874 PolarHBondContact O-N 3.1Å; N872-L874 PolarHBondContact O-N 3.11Å; L874-I876 HydrophobicContact CB-CD1 4.27Å; L874-I876 HydrophobicContact CB-CG1 3.92Å; L874-I876 HydrophobicContact CD1-CD1 4.25Å; L874-V930 HydrophobicContact CB-CG1 4.37Å; L874-V930 HydrophobicContact CD2-CG1 4.39Å; L874-R978 PolarHBondContact O-NH1 3.45Å; L874-L1005 HydrophobicContact CD2-CD1 3.55Å; L874-L1005 HydrophobicContact CD2-CD2 4.37Å; L874-L1011 HydrophobicContact CD2-CD2 4.33Å; L874-W1012 HydrophobicContact CD1-CE3 3.85Å; L874-W1012 HydrophobicContact CD1-CZ3 3.81Å; L874-W1012 HydrophobicContact CD2-CE3 4.28Å; L874-L1015 HydrophobicContact CD1-CD1 3.75Å; L874-L1015 HydrophobicContact CD2-CD1 4.01Å; L874-L1015 HydrophobicContact CG-CD1 3.77Å |
| 875 | D | 95.3 | Very high | 85.6 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | trans | -99.5 | 86.3 | 170.1 | -156.4 | 17.1 | 0 | 0 | 0 | 111.3 | R877 V930 I931 N932 R978 P1001 | D875-R877 VanDerWaalsContact CG-NE 3.25Å; D875-R877 IonicContact OD1-CZ 2.79Å; D875-R877 IonicContact OD1-NE 2.81Å; D875-R877 PolarHBondContact OD1-NE 2.98Å; D875-R877 VanDerWaalsContact OD1-NE 3.13Å; D875-R877 IonicContact OD1-NH2 3.25Å; D875-R877 PolarHBondContact OD1-NH2 2.68Å; D875-R877 IonicContact OD2-CZ 3.55Å; D875-R877 VanDerWaalsContact OD2-CZ 3.25Å; D875-R877 IonicContact OD2-NE 3.13Å; D875-R877 PolarHBondContact OD2-NE 2.9Å; D875-R877 IonicContact OD2-NH2 3.34Å; D875-R877 PolarHBondContact OD2-NH2 3.13Å; D875-V930 WeakPolarHBondContact O-CA 3.49Å; D875-I931 HydrophobicContact CB-CG1 3.92Å; D875-I931 PolarHBondContact O-N 3.25Å; D875-I931 WeakPolarHBondContact OD2-CG1 3.44Å; D875-N932 HydrophobicContact CB-CB 3.75Å; D875-N932 PolarHBondContact N-ND2 3.41Å; D875-N932 PolarHBondContact N-OD1 3.44Å; D875-R978 WeakPolarHBondContact OD1-CD 3.37Å; D875-R978 IonicContact OD1-CZ 2.72Å; D875-R978 IonicContact OD1-NH1 2.62Å; D875-R978 PolarHBondContact OD1-NH1 3.24Å; D875-P1001 HydrophobicContact CB-CB 3.66Å; D875-P1001 HydrophobicContact CB-CG 3.9Å | ||
| 876 | I | 96.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.1 | -178.3 | -56.2 | -178.2 | 0 | 0 | 0 | 108.8 | L874 V928 F929 V930 L948 R978 F979 F981 L1034 | L874-I876 HydrophobicContact CB-CD1 4.27Å; L874-I876 HydrophobicContact CB-CG1 3.92Å; L874-I876 HydrophobicContact CD1-CD1 4.25Å; I876-V928 HydrophobicContact CG2-CG1 3.38Å; I876-F929 CarbonylContact C-O 3.16Å; I876-F929 WeakPolarHBondContact CA-O 3.49Å; I876-V930 HydrophobicContact CG1-CG2 4.41Å; I876-L948 HydrophobicContact CD1-CD1 4.5Å; I876-L948 HydrophobicContact CG2-CD1 4.12Å; I876-R978 WeakPolarHBondContact O-CA 3.46Å; I876-F979 HydrophobicContact CG2-CB 4.36Å; I876-F979 PolarHBondContact O-N 2.91Å; I876-F981 HydrophobicContact CD1-CE2 3.52Å; I876-F981 HydrophobicContact CD1-CZ 3.96Å; I876-L1034 HydrophobicContact CD1-CD1 4.04Å; I876-L1034 HydrophobicContact CD1-CD2 4.45Å; I876-L1034 HydrophobicContact CG2-CD1 4.45Å; I876-L1034 HydrophobicContact CG2-CD2 4.29Å |
| 877 | R | 95.7 | Very high | 91.1 | Very high | 51 Ų | 51 | 34.2 Ų | 34.2 | 19% | 0.192 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 159.5 | -175.8 | -59.5 | -168 | -170.8 | -117.3 | 2.1 | 114.2 | D875 F900 F929 I931 G976 E977 R978 | D875-R877 VanDerWaalsContact CG-NE 3.25Å; D875-R877 IonicContact OD1-CZ 2.79Å; D875-R877 IonicContact OD1-NE 2.81Å; D875-R877 PolarHBondContact OD1-NE 2.98Å; D875-R877 VanDerWaalsContact OD1-NE 3.13Å; D875-R877 IonicContact OD1-NH2 3.25Å; D875-R877 PolarHBondContact OD1-NH2 2.68Å; D875-R877 IonicContact OD2-CZ 3.55Å; D875-R877 VanDerWaalsContact OD2-CZ 3.25Å; D875-R877 IonicContact OD2-NE 3.13Å; D875-R877 PolarHBondContact OD2-NE 2.9Å; D875-R877 IonicContact OD2-NH2 3.34Å; D875-R877 PolarHBondContact OD2-NH2 3.13Å; R877-F900 HydrophobicContact CB-CD1 4.43Å; R877-F929 PolarHBondContact N-O 2.91Å; R877-F929 PolarHBondContact O-N 3.32Å; R877-I931 HydrophobicContact CG-CD1 4.32Å; R877-I931 HydrophobicContact CG-CG1 4.33Å; R877-G976 WeakPolarHBondContact CD-O 3.48Å; R877-G976 PolarHBondContact NH1-O 3.04Å; R877-E977 WeakPolarHBondContact CA-O 3.28Å; R877-R978 HydrophobicContact CG-CB 4.33Å |
| 878 | I | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 133.4 | 176 | -46.1 | -48.7 | 0 | 0 | 0 | 110.8 | F900 A927 V928 L967 P973 G976 E977 F979 I1043 | I878-F900 WeakPolarHBondContact O-CD1 3.32Å; I878-A927 WeakPolarHBondContact CA-O 3.45Å; I878-V928 HydrophobicContact CD1-CB 4.45Å; I878-V928 HydrophobicContact CD1-CG1 4.38Å; I878-V928 HydrophobicContact CD1-CG2 3.81Å; I878-L967 HydrophobicContact CD1-CD1 3.4Å; I878-L967 VanDerWaalsContact CD1-CD1 3.4Å; I878-L967 HydrophobicContact CG1-CD1 4.12Å; I878-L967 HydrophobicContact CG2-CD1 4.35Å; I878-P973 HydrophobicContact CG2-CB 4.13Å; I878-G976 PolarHBondContact O-N 3.5Å; I878-E977 HydrophobicContact CG1-CB 4.27Å; I878-E977 PolarHBondContact N-O 3.25Å; I878-F979 HydrophobicContact CD1-CD2 3.87Å; I878-F979 HydrophobicContact CD1-CE2 3.63Å; I878-F979 HydrophobicContact CD1-CZ 4.34Å; I878-F979 HydrophobicContact CG1-CD2 4.05Å; I878-F979 HydrophobicContact CG1-CE2 3.53Å; I878-F979 HydrophobicContact CG1-CZ 4.41Å; I878-I1043 HydrophobicContact CD1-CD1 4.3Å |
| 879 | G | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | D899 Y926 A927 | G879-D899 CarbonylContact C-O 3.48Å; G879-D899 VanDerWaalsContact CA-O 3.29Å; G879-D899 WeakPolarHBondContact CA-O 3.44Å; G879-Y926 CarbonylContact O-C 3.5Å; G879-Y926 WeakPolarHBondContact O-CA 3.39Å; G879-A927 PolarHBondContact N-O 3.42Å; G879-A927 PolarHBondContact O-N 2.83Å |
| 880 | L | 96.6 | Very high | 94 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.131 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122 | 177.9 | 175.6 | 64.2 | 0 | 0 | 0 | 110.3 | L882 V898 D899 N924 Y926 L975 | L880-L882 HydrophobicContact CD2-CD2 3.88Å; L880-L882 HydrophobicContact CG-CD2 3.99Å; L880-L882 PolarHBondContact O-N 2.97Å; L880-V898 CarbonylContact O-C 3.57Å; L880-V898 WeakPolarHBondContact O-CA 3.33Å; L880-D899 PolarHBondContact N-O 2.97Å; L880-D899 PolarHBondContact O-N 2.96Å; L880-N924 VanDerWaalsContact CD1-C 3.41Å; L880-N924 WeakPolarHBondContact CD1-O 3.1Å; L880-Y926 HydrophobicContact CB-CD1 4.2Å; L880-Y926 HydrophobicContact CB-CE1 4.23Å; L880-Y926 HydrophobicContact CD1-CD1 4.22Å; L880-Y926 HydrophobicContact CD1-CD2 4.09Å; L880-Y926 HydrophobicContact CD1-CE1 4.2Å; L880-Y926 HydrophobicContact CD1-CE2 4.04Å; L880-Y926 HydrophobicContact CD1-CG 4.18Å; L880-Y926 HydrophobicContact CD2-CE1 4.37Å; L880-L975 HydrophobicContact CB-CD2 3.65Å |
| 881 | I | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 107.2 | 177.8 | -60.9 | 172.4 | 0 | 0 | 0 | 109.3 | V884 E896 V898 L922 N924 C925 A927 F929 | I881-V884 HydrophobicContact CG2-CG2 3.38Å; I881-E896 HydrophobicContact CG2-CB 4.27Å; I881-E896 HydrophobicContact CG2-CG 4.3Å; I881-V898 HydrophobicContact CG1-CG2 4.2Å; I881-L922 VanDerWaalsContact CB-O 3.28Å; I881-L922 WeakPolarHBondContact CB-O 3.39Å; I881-L922 HydrophobicContact CD1-CB 4.36Å; I881-L922 HydrophobicContact CD1-CD2 4.06Å; I881-L922 WeakPolarHBondContact CG2-O 3.42Å; I881-N924 VanDerWaalsContact O-CA 3.3Å; I881-N924 WeakPolarHBondContact O-CA 3.43Å; I881-N924 PolarHBondContact O-N 3.5Å; I881-C925 HydrophobicContact CD1-CB 4.49Å; I881-C925 PolarHBondContact N-O 3.21Å; I881-A927 HydrophobicContact CD1-CB 4.13Å; I881-F929 HydrophobicContact CD1-CZ 4.2Å; I881-F929 HydrophobicContact CG1-CZ 3.92Å |
| 882 | L | 96 | Very high | 94.1 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -32.5 | -176.2 | -63.3 | -176.5 | 0 | 0 | 0 | 113.9 | L880 E897 D899 K906 L923 | L880-L882 HydrophobicContact CD2-CD2 3.88Å; L880-L882 HydrophobicContact CG-CD2 3.99Å; L880-L882 PolarHBondContact O-N 2.97Å; L882-E897 PolarHBondContact N-O 3.46Å; L882-D899 HydrophobicContact CD1-CB 3.82Å; L882-D899 HydrophobicContact CG-CB 4.07Å; L882-K906 HydrophobicContact CD1-CD 4.12Å; L882-K906 VanDerWaalsContact CD1-NZ 3.25Å; L882-L923 WeakPolarHBondContact O-CD1 3.28Å |
| 883 | S | 95.9 | Very high | 94.2 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 150.2 | 171.7 | 79.5 | 0 | 0 | 0 | 0 | 111.5 | E896 E897 | S883-E896 WeakPolarHBondContact O-CA 3.48Å; S883-E897 PolarHBondContact N-O 2.93Å; S883-E897 PolarHBondContact O-N 2.7Å |
| 884 | V | 96.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 42 Ų | 42 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 133.5 | 177.7 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | I881 F894 I895 E896 M919 L922 | I881-V884 HydrophobicContact CG2-CG2 3.38Å; V884-F894 HydrophobicContact CG1-CB 3.88Å; V884-F894 HydrophobicContact CG1-CD1 3.82Å; V884-F894 HydrophobicContact CG1-CD2 4.29Å; V884-F894 HydrophobicContact CG1-CE1 4.43Å; V884-F894 HydrophobicContact CG1-CG 3.76Å; V884-I895 WeakPolarHBondContact CA-O 3.48Å; V884-E896 HydrophobicContact CG1-CG 4.37Å; V884-E896 HydrophobicContact CG2-CG 4.29Å; V884-M919 HydrophobicContact CB-CG 3.97Å; V884-M919 HydrophobicContact CG1-CG 3.67Å; V884-M919 HydrophobicContact CG1-SD 4.43Å; V884-L922 HydrophobicContact CG1-CD1 4.29Å; V884-L922 HydrophobicContact CG2-CB 3.79Å |
| 885 | K | 95.5 | Very high | 94.6 | Very high | 127 Ų | 127 | 43.3 Ų | 43.3 | 55% | 0.552 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.3 | -178.6 | -62 | 168.4 | -170.3 | 154.7 | 0 | 109.2 | F894 I895 | K885-F894 CarbonylContact O-C 3.4Å; K885-F894 WeakPolarHBondContact O-CA 3.28Å; K885-I895 PolarHBondContact N-O 2.97Å; K885-I895 PolarHBondContact O-N 3.4Å |
| 886 | I | 94.4 | Very high | 94.7 | Very high | 95 Ų | 95 | 42.7 Ų | 42.7 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 140 | 171.2 | -63.5 | 166 | 0 | 0 | 0 | 109.1 | F894 | I886-F894 HydrophobicContact CG1-CD1 4.05Å; I886-F894 HydrophobicContact CG1-CE1 3.86Å |
| 887 | H | 94.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 124.9 | -178.1 | -175.4 | -77.7 | 0 | 0 | 0 | 111 | N889 A890 L893 I895 R939 | H887-N889 PolarHBondContact ND1-N 3.17Å; H887-N889 PolarHBondContact O-N 2.92Å; H887-A890 HydrophobicContact CB-CB 4.26Å; H887-A890 PolarHBondContact ND1-N 3.48Å; H887-A890 CarbonylContact O-C 3.59Å; H887-A890 PolarHBondContact O-N 3.3Å; H887-L893 HydrophobicContact CB-CB 3.75Å; H887-L893 WeakPolarHBondContact CB-O 3.3Å; H887-L893 PolarHBondContact N-O 3.39Å; H887-I895 HydrophobicContact CB-CD1 4.2Å; H887-I895 HydrophobicContact CB-CG1 4.02Å; H887-R939 WeakPolarHBondContact CE1-CB 3.36Å |
| 888 | P | 91.7 | Very high | 94.9 | Very high | 98 Ų | 98 | 43.3 Ų | 43.3 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19 | -167.2 | 26.8 | -35.8 | 0 | 0 | 0 | 114.4 | ||
| 889 | N | 90.1 | Very high | 95 | Very high | 111 Ų | 111 | 45.1 Ų | 45.1 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 17.1 | 177.3 | -45.5 | -35.6 | 0 | 0 | 0 | 113.2 | H887 R939 | H887-N889 PolarHBondContact ND1-N 3.17Å; H887-N889 PolarHBondContact O-N 2.92Å; N889-R939 PolarHBondContact ND2-O 2.95Å |
| 890 | A | 88.2 | Confident | 95 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 107.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H887 S892 L893 R939 | H887-A890 HydrophobicContact CB-CB 4.26Å; H887-A890 PolarHBondContact ND1-N 3.48Å; H887-A890 CarbonylContact O-C 3.59Å; H887-A890 PolarHBondContact O-N 3.3Å; A890-S892 PolarHBondContact O-N 3.45Å; A890-S892 VanDerWaalsContact O-N 3.1Å; A890-L893 HydrophobicContact CB-CB 4.17Å; A890-L893 HydrophobicContact CB-CD1 3.69Å; A890-L893 HydrophobicContact CB-CG 3.9Å; A890-L893 PolarHBondContact O-N 3.25Å; A890-R939 HydrophobicContact CB-CB 4.34Å; A890-R939 HydrophobicContact CB-CG 3.94Å |
| 891 | D | 88.3 | Confident | 94.7 | Very high | 147 Ų | 147 | 44.1 Ų | 44.1 | 79% | 0.786 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | -18.4 | -174.9 | -39.8 | -35.9 | 0 | 0 | 0 | 114.5 | V914 | D891-V914 VanDerWaalsContact O-CG1 3.31Å; D891-V914 WeakPolarHBondContact O-CG1 3.21Å |
| 892 | S | 92.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 51 Ų | 51 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 1 | -179.3 | 64 | 0 | 0 | 0 | 0 | 114.8 | A890 G912 V914 | A890-S892 PolarHBondContact O-N 3.45Å; A890-S892 VanDerWaalsContact O-N 3.1Å; S892-G912 CarbonylContact O-C 3.57Å; S892-V914 VanDerWaalsContact C-CG2 3.46Å |
| 893 | L | 95.8 | Very high | 93.5 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 12% | 0.12 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.5 | -173.1 | -57.5 | -179.8 | 0 | 0 | 0 | 112.3 | H887 A890 I910 S911 V914 I938 R939 | H887-L893 HydrophobicContact CB-CB 3.75Å; H887-L893 WeakPolarHBondContact CB-O 3.3Å; H887-L893 PolarHBondContact N-O 3.39Å; A890-L893 HydrophobicContact CB-CB 4.17Å; A890-L893 HydrophobicContact CB-CD1 3.69Å; A890-L893 HydrophobicContact CB-CG 3.9Å; A890-L893 PolarHBondContact O-N 3.25Å; L893-I910 HydrophobicContact CB-CG2 4.08Å; L893-I910 HydrophobicContact CD1-CG2 3.98Å; L893-I910 HydrophobicContact CD2-CG2 4.42Å; L893-I910 HydrophobicContact CG-CG2 4.4Å; L893-S911 WeakPolarHBondContact CA-O 3.42Å; L893-V914 WeakPolarHBondContact O-CG2 3.48Å; L893-I938 HydrophobicContact CD1-CG2 3.47Å; L893-I938 VanDerWaalsContact CD1-CG2 3.47Å; L893-R939 HydrophobicContact CD1-CG 4.18Å |
| 894 | F | 96.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 160.7 | 161.2 | -69.6 | -54.3 | 0 | 0 | 0 | 110.3 | V884 K885 I886 E896 I910 S911 L913 V914 M919 L922 | V884-F894 HydrophobicContact CG1-CB 3.88Å; V884-F894 HydrophobicContact CG1-CD1 3.82Å; V884-F894 HydrophobicContact CG1-CD2 4.29Å; V884-F894 HydrophobicContact CG1-CE1 4.43Å; V884-F894 HydrophobicContact CG1-CG 3.76Å; K885-F894 CarbonylContact O-C 3.4Å; K885-F894 WeakPolarHBondContact O-CA 3.28Å; I886-F894 HydrophobicContact CG1-CD1 4.05Å; I886-F894 HydrophobicContact CG1-CE1 3.86Å; F894-E896 VanDerWaalsContact CB-OE1 3.26Å; F894-E896 WeakPolarHBondContact CB-OE1 3.45Å; F894-I910 WeakPolarHBondContact O-CA 3.39Å; F894-I910 WeakPolarHBondContact O-CG2 3.37Å; F894-S911 PolarHBondContact N-O 2.92Å; F894-S911 PolarHBondContact O-N 3.45Å; F894-L913 HydrophobicContact CD2-CB 3.92Å; F894-L913 HydrophobicContact CE2-CB 4.03Å; F894-V914 HydrophobicContact CD1-CG2 3.71Å; F894-V914 HydrophobicContact CD2-CG2 3.96Å; F894-V914 HydrophobicContact CE1-CG1 4.5Å; F894-V914 HydrophobicContact CE1-CG2 3.75Å; F894-V914 HydrophobicContact CE2-CB 4.45Å; F894-V914 HydrophobicContact CE2-CG2 3.99Å; F894-V914 HydrophobicContact CG-CG2 3.8Å; F894-V914 HydrophobicContact CZ-CB 4.29Å; F894-V914 HydrophobicContact CZ-CG1 4.4Å; F894-V914 HydrophobicContact CZ-CG2 3.88Å; F894-M919 HydrophobicContact CD1-CG 4.22Å; F894-M919 HydrophobicContact CD1-SD 4.22Å; F894-M919 HydrophobicContact CE1-CB 3.76Å; F894-M919 HydrophobicContact CE1-CG 3.63Å; F894-M919 HydrophobicContact CE1-SD 3.72Å; F894-M919 HydrophobicContact CZ-CB 3.64Å; F894-M919 HydrophobicContact CZ-CG 3.99Å; F894-L922 HydrophobicContact CD2-CD1 3.85Å; F894-L922 HydrophobicContact CE2-CD1 3.99Å |
| 895 | I | 97.5 | Very high | 93.1 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119.8 | 165.2 | -54.4 | 160.4 | 0 | 0 | 0 | 106.3 | V884 K885 H887 T908 I941 | V884-I895 WeakPolarHBondContact CA-O 3.48Å; K885-I895 PolarHBondContact N-O 2.97Å; K885-I895 PolarHBondContact O-N 3.4Å; H887-I895 HydrophobicContact CB-CD1 4.2Å; H887-I895 HydrophobicContact CB-CG1 4.02Å; I895-T908 HydrophobicContact CG2-CG2 3.78Å; I895-I941 HydrophobicContact CD1-CD1 3.46Å; I895-I941 VanDerWaalsContact CD1-CD1 3.46Å; I895-I941 HydrophobicContact CG1-CD1 4.23Å |
| 896 | E | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135.5 | 175.1 | -56.1 | 83 | -171.3 | 0 | 0 | 111.4 | I881 S883 V884 F894 V898 T908 V909 I910 S911 | I881-E896 HydrophobicContact CG2-CB 4.27Å; I881-E896 HydrophobicContact CG2-CG 4.3Å; S883-E896 WeakPolarHBondContact O-CA 3.48Å; V884-E896 HydrophobicContact CG1-CG 4.37Å; V884-E896 HydrophobicContact CG2-CG 4.29Å; F894-E896 VanDerWaalsContact CB-OE1 3.26Å; F894-E896 WeakPolarHBondContact CB-OE1 3.45Å; E896-V898 HydrophobicContact CB-CG2 3.82Å; E896-T908 WeakPolarHBondContact O-CA 3.2Å; E896-V909 HydrophobicContact CB-CB 4.25Å; E896-V909 PolarHBondContact N-O 3.38Å; E896-V909 PolarHBondContact O-N 3.34Å; E896-I910 PolarHBondContact OE2-N 3.11Å; E896-S911 WeakPolarHBondContact OE1-CB 3.42Å; E896-S911 PolarHBondContact OE1-OG 3.19Å; E896-S911 PolarHBondContact OE2-N 2.94Å; E896-S911 VanDerWaalsContact OE2-N 3.13Å |
| 897 | E | 97.7 | Very high | 93.3 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.4 | 162.8 | -174.3 | -172.7 | 149.8 | 0 | 0 | 108.1 | L882 S883 K906 | L882-E897 PolarHBondContact N-O 3.46Å; S883-E897 PolarHBondContact N-O 2.93Å; S883-E897 PolarHBondContact O-N 2.7Å; E897-K906 HydrophobicContact CG-CD 4.33Å; E897-K906 VanDerWaalsContact OE1-CD 3.24Å; E897-K906 WeakPolarHBondContact OE1-CD 3.4Å; E897-K906 IonicContact OE1-NZ 2.68Å; E897-K906 PolarHBondContact OE1-NZ 2.78Å |
| 898 | V | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.4 | -170.9 | -171.1 | 0 | 0 | 0 | 0 | 110.6 | L880 I881 E896 F900 K906 R907 V909 F929 | L880-V898 CarbonylContact O-C 3.57Å; L880-V898 WeakPolarHBondContact O-CA 3.33Å; I881-V898 HydrophobicContact CG1-CG2 4.2Å; E896-V898 HydrophobicContact CB-CG2 3.82Å; V898-F900 HydrophobicContact CB-CE2 3.84Å; V898-F900 HydrophobicContact CB-CZ 4.35Å; V898-F900 HydrophobicContact CG1-CD2 4.16Å; V898-F900 HydrophobicContact CG1-CE1 4.38Å; V898-F900 HydrophobicContact CG1-CE2 3.52Å; V898-F900 HydrophobicContact CG1-CZ 3.66Å; V898-K906 CarbonylContact O-C 3.36Å; V898-K906 VanDerWaalsContact O-CA 3.23Å; V898-K906 WeakPolarHBondContact O-CA 3.28Å; V898-R907 PolarHBondContact N-O 2.97Å; V898-R907 PolarHBondContact O-N 3.45Å; V898-V909 HydrophobicContact CB-CG2 4.48Å; V898-V909 HydrophobicContact CG2-CB 4.18Å; V898-V909 HydrophobicContact CG2-CG2 3.82Å; V898-F929 HydrophobicContact CB-CZ 4.29Å; V898-F929 HydrophobicContact CG1-CD2 4.31Å; V898-F929 HydrophobicContact CG1-CE1 4.15Å; V898-F929 HydrophobicContact CG1-CE2 3.61Å; V898-F929 HydrophobicContact CG1-CZ 3.53Å; V898-F929 HydrophobicContact CG2-CE1 3.87Å; V898-F929 HydrophobicContact CG2-CZ 3.78Å |
| 899 | D | 97.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.9 | 177.1 | -158.1 | -33.7 | 0 | 0 | 0 | 111.4 | G879 L880 L882 G901 K906 | G879-D899 CarbonylContact C-O 3.48Å; G879-D899 VanDerWaalsContact CA-O 3.29Å; G879-D899 WeakPolarHBondContact CA-O 3.44Å; L880-D899 PolarHBondContact N-O 2.97Å; L880-D899 PolarHBondContact O-N 2.96Å; L882-D899 HydrophobicContact CD1-CB 3.82Å; L882-D899 HydrophobicContact CG-CB 4.07Å; D899-G901 WeakPolarHBondContact OD1-CA 3.48Å; D899-G901 PolarHBondContact OD1-N 2.87Å; D899-K906 HydrophobicContact CB-CG 4.19Å |
| 900 | F | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -102.9 | 16.5 | 176.8 | -67.1 | -87.2 | 0 | 0 | 0 | 112.5 | R877 I878 V898 I904 G905 R907 F929 I931 A945 L975 G976 | R877-F900 HydrophobicContact CB-CD1 4.43Å; I878-F900 WeakPolarHBondContact O-CD1 3.32Å; V898-F900 HydrophobicContact CB-CE2 3.84Å; V898-F900 HydrophobicContact CB-CZ 4.35Å; V898-F900 HydrophobicContact CG1-CD2 4.16Å; V898-F900 HydrophobicContact CG1-CE1 4.38Å; V898-F900 HydrophobicContact CG1-CE2 3.52Å; V898-F900 HydrophobicContact CG1-CZ 3.66Å; F900-I904 HydrophobicContact CB-CB 3.67Å; F900-I904 HydrophobicContact CB-CD1 4.04Å; F900-I904 HydrophobicContact CB-CG1 4.48Å; F900-I904 HydrophobicContact CB-CG2 3.57Å; F900-I904 HydrophobicContact CD2-CG2 4.44Å; F900-I904 HydrophobicContact CG-CG2 4.12Å; F900-G905 PolarHBondContact N-O 2.88Å; F900-R907 HydrophobicContact CD2-CB 4.38Å; F900-R907 HydrophobicContact CD2-CG 4.23Å; F900-R907 HydrophobicContact CE2-CB 4.1Å; F900-R907 HydrophobicContact CE2-CG 4.3Å; F900-F929 HydrophobicContact CE1-CB 3.82Å; F900-F929 AromaticContact CE1-CD2 3.6Å; F900-F929 HydrophobicContact CE1-CD2 3.6Å; F900-F929 HydrophobicContact CE1-CE2 4.38Å; F900-F929 AromaticContact CE1-CG 3.87Å; F900-F929 HydrophobicContact CE1-CG 3.87Å; F900-F929 HydrophobicContact CZ-CB 3.71Å; F900-F929 HydrophobicContact CZ-CD1 4.1Å; F900-F929 AromaticContact CZ-CD2 3.58Å; F900-F929 HydrophobicContact CZ-CD2 3.58Å; F900-F929 HydrophobicContact CZ-CE2 4.19Å; F900-F929 AromaticContact CZ-CG 3.55Å; F900-F929 HydrophobicContact CZ-CG 3.55Å; F900-I931 HydrophobicContact CD1-CG2 4.21Å; F900-I931 HydrophobicContact CE1-CG2 3.65Å; F900-I931 HydrophobicContact CE2-CG2 4.47Å; F900-I931 HydrophobicContact CZ-CG2 3.8Å; F900-A945 HydrophobicContact CZ-CB 4.42Å; F900-L975 CarbonylContact O-C 3.47Å; F900-G976 VanDerWaalsContact O-CA 3.29Å; F900-G976 WeakPolarHBondContact O-CA 3.32Å; F900-G976 PolarHBondContact O-N 3.3Å | ||
| 901 | G | 89.8 | Confident | 94.3 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | 81.3 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D899 S903 I904 G905 | D899-G901 WeakPolarHBondContact OD1-CA 3.48Å; D899-G901 PolarHBondContact OD1-N 2.87Å; G901-S903 PolarHBondContact O-N 3.46Å; G901-I904 PolarHBondContact O-N 2.92Å; G901-I904 VanDerWaalsContact O-N 3.16Å; G901-G905 WeakPolarHBondContact O-CA 3.38Å; G901-G905 PolarHBondContact O-N 3.3Å | ||
| 902 | P | 85 | Confident | 94.6 | Very high | 146 Ų | 146 | 40.4 Ų | 40.4 | 95% | 0.948 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.3 | -165.2 | 25.8 | -35.7 | 0 | 0 | 0 | 115.3 | ||
| 903 | S | 83.5 | Confident | 94.7 | Very high | 102 Ų | 102 | 37.2 Ų | 37.2 | 71% | 0.713 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -21.7 | 178.9 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | G901 | G901-S903 PolarHBondContact O-N 3.46Š|
| 904 | I | 91.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -27.4 | -177 | -63 | 161.4 | 0 | 0 | 0 | 110.8 | F900 G901 I931 | F900-I904 HydrophobicContact CB-CB 3.67Å; F900-I904 HydrophobicContact CB-CD1 4.04Å; F900-I904 HydrophobicContact CB-CG1 4.48Å; F900-I904 HydrophobicContact CB-CG2 3.57Å; F900-I904 HydrophobicContact CD2-CG2 4.44Å; F900-I904 HydrophobicContact CG-CG2 4.12Å; G901-I904 PolarHBondContact O-N 2.92Å; G901-I904 VanDerWaalsContact O-N 3.16Å; I904-I931 HydrophobicContact CD1-CD1 4.05Å; I904-I931 HydrophobicContact CG1-CD1 4.5Å; I904-I931 HydrophobicContact CG2-CD1 4.02Å |
| 905 | G | 93.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 41.4 Ų | 41.4 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | trans | 75.2 | -170.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F900 G901 | F900-G905 PolarHBondContact N-O 2.88Å; G901-G905 WeakPolarHBondContact O-CA 3.38Å; G901-G905 PolarHBondContact O-N 3.3Å | ||
| 906 | K | 96.4 | Very high | 93.8 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 151.3 | 175 | -61.6 | -172.3 | 175.9 | -169.4 | 0 | 111.8 | L882 E897 V898 D899 | L882-K906 HydrophobicContact CD1-CD 4.12Å; L882-K906 VanDerWaalsContact CD1-NZ 3.25Å; E897-K906 HydrophobicContact CG-CD 4.33Å; E897-K906 VanDerWaalsContact OE1-CD 3.24Å; E897-K906 WeakPolarHBondContact OE1-CD 3.4Å; E897-K906 IonicContact OE1-NZ 2.68Å; E897-K906 PolarHBondContact OE1-NZ 2.78Å; V898-K906 CarbonylContact O-C 3.36Å; V898-K906 VanDerWaalsContact O-CA 3.23Å; V898-K906 WeakPolarHBondContact O-CA 3.28Å; D899-K906 HydrophobicContact CB-CG 4.19Å |
| 907 | R | 97 | Very high | 93.5 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 150.4 | 174.2 | -66.4 | -171.3 | -178.9 | -156.1 | 7.9 | 111.2 | V898 F900 I931 Q944 | V898-R907 PolarHBondContact N-O 2.97Å; V898-R907 PolarHBondContact O-N 3.45Å; F900-R907 HydrophobicContact CD2-CB 4.38Å; F900-R907 HydrophobicContact CD2-CG 4.23Å; F900-R907 HydrophobicContact CE2-CB 4.1Å; F900-R907 HydrophobicContact CE2-CG 4.3Å; R907-I931 PolarHBondContact NH1-O 2.83Å; R907-Q944 HydrophobicContact CB-CB 4.15Å; R907-Q944 HydrophobicContact CG-CB 4.37Å; R907-Q944 PolarHBondContact NH1-O 2.9Å |
| 908 | T | 97.6 | Very high | 93.2 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 132 | 165 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | I895 E896 I941 Q944 | I895-T908 HydrophobicContact CG2-CG2 3.78Å; E896-T908 WeakPolarHBondContact O-CA 3.2Å; T908-I941 HydrophobicContact CG2-CG2 4.03Å; T908-Q944 PolarHBondContact O-N 2.69Å |
| 909 | V | 97.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 155.7 | 169.6 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | E896 V898 F929 S943 A945 L947 | E896-V909 HydrophobicContact CB-CB 4.25Å; E896-V909 PolarHBondContact N-O 3.38Å; E896-V909 PolarHBondContact O-N 3.34Å; V898-V909 HydrophobicContact CB-CG2 4.48Å; V898-V909 HydrophobicContact CG2-CB 4.18Å; V898-V909 HydrophobicContact CG2-CG2 3.82Å; V909-F929 HydrophobicContact CB-CE1 4.5Å; V909-F929 HydrophobicContact CG1-CD1 4.5Å; V909-F929 HydrophobicContact CG1-CE1 4.28Å; V909-F929 HydrophobicContact CG2-CD1 4.16Å; V909-F929 HydrophobicContact CG2-CE1 4.07Å; V909-S943 WeakPolarHBondContact CA-OG 3.29Å; V909-A945 HydrophobicContact CG2-CB 3.91Å; V909-L947 HydrophobicContact CG1-CB 4.47Å |
| 910 | I | 97 | Very high | 92.7 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | trans | -132.6 | 107.5 | 175.1 | -57.6 | 173.7 | 0 | 0 | 0 | 107.6 | L893 F894 E896 I938 I941 S943 | L893-I910 HydrophobicContact CB-CG2 4.08Å; L893-I910 HydrophobicContact CD1-CG2 3.98Å; L893-I910 HydrophobicContact CD2-CG2 4.42Å; L893-I910 HydrophobicContact CG-CG2 4.4Å; F894-I910 WeakPolarHBondContact O-CA 3.39Å; F894-I910 WeakPolarHBondContact O-CG2 3.37Å; E896-I910 PolarHBondContact OE2-N 3.11Å; I910-I938 HydrophobicContact CB-CD1 4.28Å; I910-I938 HydrophobicContact CD1-CB 3.97Å; I910-I938 HydrophobicContact CG2-CB 4.33Å; I910-I938 HydrophobicContact CG2-CD1 4.29Å; I910-I938 HydrophobicContact CG2-CG2 4.34Å; I910-I941 HydrophobicContact CD1-CB 3.82Å; I910-I941 HydrophobicContact CD1-CG2 3.92Å; I910-I941 WeakPolarHBondContact CD1-O 3.23Å; I910-S943 PolarHBondContact N-OG 2.79Å | ||
| 911 | S | 94.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | trans | -99.3 | 151.3 | 176.6 | 82.3 | 0 | 0 | 0 | 0 | 113.1 | L893 F894 E896 L913 | L893-S911 WeakPolarHBondContact CA-O 3.42Å; F894-S911 PolarHBondContact N-O 2.92Å; F894-S911 PolarHBondContact O-N 3.45Å; E896-S911 WeakPolarHBondContact OE1-CB 3.42Å; E896-S911 PolarHBondContact OE1-OG 3.19Å; E896-S911 PolarHBondContact OE2-N 2.94Å; E896-S911 VanDerWaalsContact OE2-N 3.13Å; S911-L913 VanDerWaalsContact C-N 3.27Å; S911-L913 PolarHBondContact O-N 2.84Å; S911-L913 WeakPolarHBondContact OG-CG 3.42Å | ||
| 912 | G | 93.8 | Very high | 92.6 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -89.6 | 35.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S892 | S892-G912 CarbonylContact O-C 3.57Š|
| 913 | L | 94 | Very high | 92.9 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | trans | -93.7 | -2.1 | -169.2 | -65.9 | 176 | 0 | 0 | 0 | 115 | F894 S911 G915 L916 Y917 L922 L947 V962 P964 | F894-L913 HydrophobicContact CD2-CB 3.92Å; F894-L913 HydrophobicContact CE2-CB 4.03Å; S911-L913 VanDerWaalsContact C-N 3.27Å; S911-L913 PolarHBondContact O-N 2.84Å; S911-L913 WeakPolarHBondContact OG-CG 3.42Å; L913-G915 PolarHBondContact O-N 3.41Å; L913-L916 PolarHBondContact O-N 3Å; L913-Y917 PolarHBondContact O-N 3.02Å; L913-L922 HydrophobicContact CD1-CD1 4.09Å; L913-L922 HydrophobicContact CD1-CD2 4.12Å; L913-L947 HydrophobicContact CD1-CD2 3.75Å; L913-V962 HydrophobicContact CD2-CB 3.99Å; L913-V962 HydrophobicContact CD2-CG1 3.47Å; L913-V962 VanDerWaalsContact CD2-CG1 3.47Å; L913-P964 HydrophobicContact CD1-CG 3.94Å | ||
| 914 | V | 92.3 | Very high | 93.3 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 125.5 | -179.8 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | D891 S892 L893 F894 L916 | D891-V914 VanDerWaalsContact O-CG1 3.31Å; D891-V914 WeakPolarHBondContact O-CG1 3.21Å; S892-V914 VanDerWaalsContact C-CG2 3.46Å; L893-V914 WeakPolarHBondContact O-CG2 3.48Å; F894-V914 HydrophobicContact CD1-CG2 3.71Å; F894-V914 HydrophobicContact CD2-CG2 3.96Å; F894-V914 HydrophobicContact CE1-CG1 4.5Å; F894-V914 HydrophobicContact CE1-CG2 3.75Å; F894-V914 HydrophobicContact CE2-CB 4.45Å; F894-V914 HydrophobicContact CE2-CG2 3.99Å; F894-V914 HydrophobicContact CG-CG2 3.8Å; F894-V914 HydrophobicContact CZ-CB 4.29Å; F894-V914 HydrophobicContact CZ-CG1 4.4Å; F894-V914 HydrophobicContact CZ-CG2 3.88Å; V914-L916 PolarHBondContact O-N 3.26Å |
| 915 | G | 88.8 | Confident | 93.3 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 83% | 0.825 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -8.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L913 | L913-G915 PolarHBondContact O-N 3.41Š|
| 916 | L | 89.8 | Confident | 93.4 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -30.1 | 175.1 | -59.2 | 179.3 | 0 | 0 | 0 | 112.6 | L913 V914 V962 | L913-L916 PolarHBondContact O-N 3Å; V914-L916 PolarHBondContact O-N 3.26Å; L916-V962 HydrophobicContact CB-CB 4.41Å; L916-V962 HydrophobicContact CB-CG2 4.38Å; L916-V962 HydrophobicContact CD1-CG2 3.91Å |
| 917 | Y | 90.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -142.3 | 141.8 | 177.4 | -160.6 | -102.3 | 0 | 0 | 0 | 111.8 | L913 M919 K921 L922 V962 Q963 P964 | L913-Y917 PolarHBondContact O-N 3.02Å; Y917-M919 PolarHBondContact O-N 2.97Å; Y917-K921 HydrophobicContact CD1-CB 4.3Å; Y917-K921 HydrophobicContact CE1-CB 3.46Å; Y917-K921 VanDerWaalsContact CE1-CB 3.46Å; Y917-K921 HydrophobicContact CE1-CD 4.46Å; Y917-L922 HydrophobicContact CD1-CD1 4.44Å; Y917-L922 HydrophobicContact CD1-CD2 4.05Å; Y917-L922 HydrophobicContact CD1-CG 3.85Å; Y917-L922 HydrophobicContact CE1-CD2 4.18Å; Y917-L922 HydrophobicContact CE1-CG 4.16Å; Y917-V962 WeakPolarHBondContact CD2-O 3.12Å; Y917-Q963 PolarHBondContact OH-NE2 2.88Å; Y917-P964 HydrophobicContact CD1-CG 3.83Å; Y917-P964 HydrophobicContact CD2-CG 4.25Å; Y917-P964 HydrophobicContact CE1-CG 3.83Å; Y917-P964 VanDerWaalsContact CE2-CD 3.47Å; Y917-P964 HydrophobicContact CE2-CG 4.29Å; Y917-P964 HydrophobicContact CG-CG 4.01Å |
| 918 | P | 91.6 | Very high | 93.2 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 38% | 0.377 | 27% | 0.273 | S | S | . | . | trans | -65.1 | 132.7 | 179.4 | -21.3 | 33.7 | 0 | 0 | 0 | 112.7 | E920 K921 | P918-E920 WeakPolarHBondContact CB-OE2 3.41Å; P918-E920 PolarHBondContact O-N 2.73Å; P918-K921 HydrophobicContact CB-CB 4.39Å; P918-K921 HydrophobicContact CB-CD 4.45Å; P918-K921 HydrophobicContact CB-CG 4.2Å; P918-K921 HydrophobicContact CG-CD 4.18Å; P918-K921 HydrophobicContact CG-CG 4.48Å; P918-K921 PolarHBondContact O-N 3.33Å | ||
| 919 | M | 92.6 | Very high | 93.2 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -60.8 | -36.2 | -178.6 | -171.3 | 176.1 | 61.3 | 0 | 0 | 111.8 | V884 F894 Y917 K921 L922 | V884-M919 HydrophobicContact CB-CG 3.97Å; V884-M919 HydrophobicContact CG1-CG 3.67Å; V884-M919 HydrophobicContact CG1-SD 4.43Å; F894-M919 HydrophobicContact CD1-CG 4.22Å; F894-M919 HydrophobicContact CD1-SD 4.22Å; F894-M919 HydrophobicContact CE1-CB 3.76Å; F894-M919 HydrophobicContact CE1-CG 3.63Å; F894-M919 HydrophobicContact CE1-SD 3.72Å; F894-M919 HydrophobicContact CZ-CB 3.64Å; F894-M919 HydrophobicContact CZ-CG 3.99Å; Y917-M919 PolarHBondContact O-N 2.97Å; M919-K921 PolarHBondContact O-N 2.93Å; M919-L922 PolarHBondContact O-N 3.41Å |
| 920 | E | 92.4 | Very high | 93.2 | Very high | 136 Ų | 136 | 45.2 Ų | 45.2 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -67.7 | -26.4 | -177.1 | -53.3 | 69.5 | -149.4 | 0 | 0 | 111.7 | P918 | P918-E920 WeakPolarHBondContact CB-OE2 3.41Å; P918-E920 PolarHBondContact O-N 2.73Å |
| 921 | K | 91.4 | Very high | 93.1 | Very high | 135 Ų | 135 | 45 Ų | 45 | 59% | 0.587 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -84.8 | -12.6 | 177.2 | -71.5 | -168.8 | 176 | -169.5 | 0 | 113.8 | Y917 P918 M919 | Y917-K921 HydrophobicContact CD1-CB 4.3Å; Y917-K921 HydrophobicContact CE1-CB 3.46Å; Y917-K921 VanDerWaalsContact CE1-CB 3.46Å; Y917-K921 HydrophobicContact CE1-CD 4.46Å; P918-K921 HydrophobicContact CB-CB 4.39Å; P918-K921 HydrophobicContact CB-CD 4.45Å; P918-K921 HydrophobicContact CB-CG 4.2Å; P918-K921 HydrophobicContact CG-CD 4.18Å; P918-K921 HydrophobicContact CG-CG 4.48Å; P918-K921 PolarHBondContact O-N 3.33Å; M919-K921 PolarHBondContact O-N 2.93Å |
| 922 | L | 92.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -28.5 | 173 | -72.5 | 168.7 | 0 | 0 | 0 | 111.8 | I881 V884 F894 L913 Y917 M919 C925 L947 P964 | I881-L922 VanDerWaalsContact CB-O 3.28Å; I881-L922 WeakPolarHBondContact CB-O 3.39Å; I881-L922 HydrophobicContact CD1-CB 4.36Å; I881-L922 HydrophobicContact CD1-CD2 4.06Å; I881-L922 WeakPolarHBondContact CG2-O 3.42Å; V884-L922 HydrophobicContact CG1-CD1 4.29Å; V884-L922 HydrophobicContact CG2-CB 3.79Å; F894-L922 HydrophobicContact CD2-CD1 3.85Å; F894-L922 HydrophobicContact CE2-CD1 3.99Å; L913-L922 HydrophobicContact CD1-CD1 4.09Å; L913-L922 HydrophobicContact CD1-CD2 4.12Å; Y917-L922 HydrophobicContact CD1-CD1 4.44Å; Y917-L922 HydrophobicContact CD1-CD2 4.05Å; Y917-L922 HydrophobicContact CD1-CG 3.85Å; Y917-L922 HydrophobicContact CE1-CD2 4.18Å; Y917-L922 HydrophobicContact CE1-CG 4.16Å; M919-L922 PolarHBondContact O-N 3.41Å; L922-C925 WeakPolarHBondContact O-CB 3.25Å; L922-C925 PolarHBondContact O-N 2.87Å; L922-L947 HydrophobicContact CD2-CD2 4.27Å; L922-P964 HydrophobicContact CD2-CB 4.19Å; L922-P964 HydrophobicContact CD2-CG 3.7Å |
| 923 | L | 92.8 | Very high | 93 | Very high | 83 Ų | 83 | 44.2 Ų | 44.2 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 132.2 | -176 | -167.1 | 70.3 | 0 | 0 | 0 | 111.9 | L882 C925 | L882-L923 WeakPolarHBondContact O-CD1 3.28Å; L923-C925 PolarHBondContact O-N 3.25Å |
| 924 | N | 91.3 | Very high | 92.8 | Very high | 107 Ų | 107 | 50.2 Ų | 50.2 | 57% | 0.572 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 22.4 | -173.6 | -53.2 | -62.1 | 0 | 0 | 0 | 114.6 | L880 I881 | L880-N924 VanDerWaalsContact CD1-C 3.41Å; L880-N924 WeakPolarHBondContact CD1-O 3.1Å; I881-N924 VanDerWaalsContact O-CA 3.3Å; I881-N924 WeakPolarHBondContact O-CA 3.43Å; I881-N924 PolarHBondContact O-N 3.5Å |
| 925 | C | 91.4 | Very high | 92.9 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | trans | -87.1 | 133.7 | 178 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | I881 L922 L923 A927 H966 | I881-C925 HydrophobicContact CD1-CB 4.49Å; I881-C925 PolarHBondContact N-O 3.21Å; L922-C925 WeakPolarHBondContact O-CB 3.25Å; L922-C925 PolarHBondContact O-N 2.87Å; L923-C925 PolarHBondContact O-N 3.25Å; C925-A927 PolarHBondContact O-N 2.89Å; C925-H966 WeakPolarHBondContact SG-CB 3.3Å | ||
| 926 | Y | 94.7 | Very high | 93 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 88 | 173.6 | -70.2 | -90.4 | 0 | 0 | 0 | 109.8 | G879 L880 H966 L967 N969 P973 L975 | G879-Y926 CarbonylContact O-C 3.5Å; G879-Y926 WeakPolarHBondContact O-CA 3.39Å; L880-Y926 HydrophobicContact CB-CD1 4.2Å; L880-Y926 HydrophobicContact CB-CE1 4.23Å; L880-Y926 HydrophobicContact CD1-CD1 4.22Å; L880-Y926 HydrophobicContact CD1-CD2 4.09Å; L880-Y926 HydrophobicContact CD1-CE1 4.2Å; L880-Y926 HydrophobicContact CD1-CE2 4.04Å; L880-Y926 HydrophobicContact CD1-CG 4.18Å; L880-Y926 HydrophobicContact CD2-CE1 4.37Å; Y926-H966 CarbonylContact O-C 3.55Å; Y926-H966 WeakPolarHBondContact O-CA 2.95Å; Y926-H966 WeakPolarHBondContact O-CB 3.41Å; Y926-L967 PolarHBondContact O-N 3.31Å; Y926-N969 VanDerWaalsContact CE2-OD1 3.27Å; Y926-N969 WeakPolarHBondContact CE2-OD1 3.14Å; Y926-P973 HydrophobicContact CD1-CB 3.62Å; Y926-P973 HydrophobicContact CD1-CG 3.52Å; Y926-P973 HydrophobicContact CD2-CG 3.67Å; Y926-P973 HydrophobicContact CE1-CB 4.22Å; Y926-P973 HydrophobicContact CE1-CG 3.82Å; Y926-P973 HydrophobicContact CE2-CG 3.99Å; Y926-P973 HydrophobicContact CG-CB 3.78Å; Y926-P973 HydrophobicContact CG-CG 3.42Å; Y926-P973 VanDerWaalsContact CG-CG 3.42Å; Y926-L975 HydrophobicContact CD1-CD2 3.8Å; Y926-L975 HydrophobicContact CE1-CD2 3.66Å |
| 927 | A | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 164.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I878 G879 I881 C925 F929 L947 I965 | I878-A927 WeakPolarHBondContact CA-O 3.45Å; G879-A927 PolarHBondContact N-O 3.42Å; G879-A927 PolarHBondContact O-N 2.83Å; I881-A927 HydrophobicContact CD1-CB 4.13Å; C925-A927 PolarHBondContact O-N 2.89Å; A927-F929 HydrophobicContact CB-CE2 3.65Å; A927-F929 HydrophobicContact CB-CZ 3.91Å; A927-F929 VanDerWaalsContact O-CD2 3.27Å; A927-F929 WeakPolarHBondContact O-CD2 3.4Å; A927-F929 VanDerWaalsContact O-CE2 3.29Å; A927-F929 WeakPolarHBondContact O-CE2 3.37Å; A927-L947 HydrophobicContact CB-CD1 3.51Å; A927-I965 CarbonylContact C-O 3.55Å; A927-I965 WeakPolarHBondContact CA-O 3.3Å |
| 928 | V | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.7 | -179.2 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | I876 I878 L948 I965 L967 I1043 | I876-V928 HydrophobicContact CG2-CG1 3.38Å; I878-V928 HydrophobicContact CD1-CB 4.45Å; I878-V928 HydrophobicContact CD1-CG1 4.38Å; I878-V928 HydrophobicContact CD1-CG2 3.81Å; V928-L948 HydrophobicContact CG1-CD1 4.02Å; V928-L948 PolarHBondContact O-N 2.83Å; V928-I965 HydrophobicContact CB-CB 4.35Å; V928-I965 HydrophobicContact CB-CG2 4.06Å; V928-I965 HydrophobicContact CG2-CB 4.23Å; V928-I965 HydrophobicContact CG2-CG2 3.52Å; V928-I965 PolarHBondContact N-O 2.68Å; V928-L967 HydrophobicContact CG2-CD1 4.03Å; V928-I1043 HydrophobicContact CG1-CD1 3.97Å; V928-I1043 HydrophobicContact CG2-CD1 3.67Å; V928-I1043 HydrophobicContact CG2-CG2 4.33Å |
| 929 | F | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.9 | -176.1 | -57.5 | -103.3 | 0 | 0 | 0 | 112.5 | I876 R877 I881 V898 F900 V909 A927 I931 A945 M946 L947 | I876-F929 CarbonylContact C-O 3.16Å; I876-F929 WeakPolarHBondContact CA-O 3.49Å; R877-F929 PolarHBondContact N-O 2.91Å; R877-F929 PolarHBondContact O-N 3.32Å; I881-F929 HydrophobicContact CD1-CZ 4.2Å; I881-F929 HydrophobicContact CG1-CZ 3.92Å; V898-F929 HydrophobicContact CB-CZ 4.29Å; V898-F929 HydrophobicContact CG1-CD2 4.31Å; V898-F929 HydrophobicContact CG1-CE1 4.15Å; V898-F929 HydrophobicContact CG1-CE2 3.61Å; V898-F929 HydrophobicContact CG1-CZ 3.53Å; V898-F929 HydrophobicContact CG2-CE1 3.87Å; V898-F929 HydrophobicContact CG2-CZ 3.78Å; F900-F929 HydrophobicContact CE1-CB 3.82Å; F900-F929 AromaticContact CE1-CD2 3.6Å; F900-F929 HydrophobicContact CE1-CD2 3.6Å; F900-F929 HydrophobicContact CE1-CE2 4.38Å; F900-F929 AromaticContact CE1-CG 3.87Å; F900-F929 HydrophobicContact CE1-CG 3.87Å; F900-F929 HydrophobicContact CZ-CB 3.71Å; F900-F929 HydrophobicContact CZ-CD1 4.1Å; F900-F929 AromaticContact CZ-CD2 3.58Å; F900-F929 HydrophobicContact CZ-CD2 3.58Å; F900-F929 HydrophobicContact CZ-CE2 4.19Å; F900-F929 AromaticContact CZ-CG 3.55Å; F900-F929 HydrophobicContact CZ-CG 3.55Å; V909-F929 HydrophobicContact CB-CE1 4.5Å; V909-F929 HydrophobicContact CG1-CD1 4.5Å; V909-F929 HydrophobicContact CG1-CE1 4.28Å; V909-F929 HydrophobicContact CG2-CD1 4.16Å; V909-F929 HydrophobicContact CG2-CE1 4.07Å; A927-F929 HydrophobicContact CB-CE2 3.65Å; A927-F929 HydrophobicContact CB-CZ 3.91Å; A927-F929 VanDerWaalsContact O-CD2 3.27Å; A927-F929 WeakPolarHBondContact O-CD2 3.4Å; A927-F929 VanDerWaalsContact O-CE2 3.29Å; A927-F929 WeakPolarHBondContact O-CE2 3.37Å; F929-I931 HydrophobicContact CB-CG2 4.05Å; F929-A945 HydrophobicContact CB-CB 4.42Å; F929-M946 CarbonylContact C-O 3.56Å; F929-M946 WeakPolarHBondContact CA-O 3.5Å; F929-M946 WeakPolarHBondContact CB-O 3.46Å; F929-L947 VanDerWaalsContact CD1-CA 3.49Å; F929-L947 HydrophobicContact CD1-CB 3.87Å; F929-L947 HydrophobicContact CD1-CD1 4.3Å; F929-L947 HydrophobicContact CE1-CB 3.7Å; F929-L947 HydrophobicContact CE1-CD1 3.86Å; F929-L947 HydrophobicContact CE1-CG 4.3Å; F929-L947 HydrophobicContact CE2-CD1 4.42Å; F929-L947 HydrophobicContact CZ-CD1 3.92Å |
| 930 | V | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.2 | 163.8 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | L874 D875 I876 L933 A945 M946 L948 W1012 | L874-V930 HydrophobicContact CB-CG1 4.37Å; L874-V930 HydrophobicContact CD2-CG1 4.39Å; D875-V930 WeakPolarHBondContact O-CA 3.49Å; I876-V930 HydrophobicContact CG1-CG2 4.41Å; V930-L933 HydrophobicContact CB-CD1 3.95Å; V930-L933 HydrophobicContact CB-CG 4.41Å; V930-L933 HydrophobicContact CG1-CD1 3.97Å; V930-L933 HydrophobicContact CG1-CG 3.89Å; V930-A945 WeakPolarHBondContact O-CA 3.34Å; V930-M946 HydrophobicContact CB-CE 4.35Å; V930-M946 HydrophobicContact CG2-CE 3.94Å; V930-M946 PolarHBondContact N-O 3.44Å; V930-M946 PolarHBondContact O-N 2.82Å; V930-L948 HydrophobicContact CG2-CD1 4.06Å; V930-L948 HydrophobicContact CG2-CD2 3.74Å; V930-L948 HydrophobicContact CG2-CG 3.97Å; V930-W1012 HydrophobicContact CG2-CZ3 4.21Å |
| 931 | I | 96.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | trans | -109.4 | -1.8 | -170.2 | 75.6 | 152 | 0 | 0 | 0 | 115.2 | D875 R877 F900 I904 R907 F929 A945 | D875-I931 HydrophobicContact CB-CG1 3.92Å; D875-I931 PolarHBondContact O-N 3.25Å; D875-I931 WeakPolarHBondContact OD2-CG1 3.44Å; R877-I931 HydrophobicContact CG-CD1 4.32Å; R877-I931 HydrophobicContact CG-CG1 4.33Å; F900-I931 HydrophobicContact CD1-CG2 4.21Å; F900-I931 HydrophobicContact CE1-CG2 3.65Å; F900-I931 HydrophobicContact CE2-CG2 4.47Å; F900-I931 HydrophobicContact CZ-CG2 3.8Å; I904-I931 HydrophobicContact CD1-CD1 4.05Å; I904-I931 HydrophobicContact CG1-CD1 4.5Å; I904-I931 HydrophobicContact CG2-CD1 4.02Å; R907-I931 PolarHBondContact NH1-O 2.83Å; F929-I931 HydrophobicContact CB-CG2 4.05Å; I931-A945 HydrophobicContact CB-CB 4.39Å; I931-A945 HydrophobicContact CG2-CB 3.99Å | ||
| 932 | N | 94.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -106.3 | 11.2 | 176.5 | 69.9 | -23.6 | 0 | 0 | 0 | 114.1 | R873 D875 D1002 L1004 L1005 | R873-N932 PolarHBondContact O-ND2 2.94Å; D875-N932 HydrophobicContact CB-CB 3.75Å; D875-N932 PolarHBondContact N-ND2 3.41Å; D875-N932 PolarHBondContact N-OD1 3.44Å; N932-D1002 WeakPolarHBondContact CB-O 3.5Å; N932-D1002 PolarHBondContact ND2-O 2.89Å; N932-L1004 CarbonylContact O-C 3.57Å; N932-L1004 WeakPolarHBondContact O-CA 3.45Å; N932-L1005 PolarHBondContact O-N 3.2Å; N932-L1005 VanDerWaalsContact OD1-CD1 3.3Å; N932-L1005 WeakPolarHBondContact OD1-CD1 3.42Å |
| 933 | L | 90.9 | Very high | 93.3 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -66.9 | 145.3 | 165.5 | -70 | 164.6 | 0 | 0 | 0 | 109.9 | V930 M946 L1005 W1012 | V930-L933 HydrophobicContact CB-CD1 3.95Å; V930-L933 HydrophobicContact CB-CG 4.41Å; V930-L933 HydrophobicContact CG1-CD1 3.97Å; V930-L933 HydrophobicContact CG1-CG 3.89Å; L933-M946 HydrophobicContact CD1-CB 3.61Å; L933-M946 HydrophobicContact CD1-CE 3.88Å; L933-M946 HydrophobicContact CD1-CG 4.32Å; L933-M946 HydrophobicContact CD1-SD 3.68Å; L933-L1005 HydrophobicContact CD2-CD1 3.73Å; L933-L1005 HydrophobicContact CG-CD1 4.15Å; L933-W1012 HydrophobicContact CD2-CB 4.22Å |
| 934 | K | 90.8 | Very high | 93.5 | Very high | 131 Ų | 131 | 54.8 Ų | 54.8 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 128.6 | 172.9 | -179.1 | 178.1 | 177.8 | -178.1 | 0 | 109.6 | V936 L1004 | K934-V936 WeakPolarHBondContact O-CG2 3.32Å; K934-L1004 HydrophobicContact CB-CD2 4.15Å; K934-L1004 HydrophobicContact CB-CG 4.4Å; K934-L1004 HydrophobicContact CG-CD2 4.22Å |
| 935 | P | 92.7 | Very high | 93.7 | Very high | 52 Ų | 52 | 50 Ų | 50 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 141.4 | 178 | -27.4 | 35.2 | 0 | 0 | 0 | 113.2 | E942 S943 | P935-E942 HydrophobicContact CB-CG 3.82Å; P935-S943 VanDerWaalsContact CA-O 3.24Å; P935-S943 WeakPolarHBondContact CA-O 3.37Å |
| 936 | V | 91 | Very high | 93.9 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 52% | 0.521 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.5 | -175.6 | -176.2 | 0 | 0 | 0 | 0 | 110 | K934 I938 S943 | K934-V936 WeakPolarHBondContact O-CG2 3.32Å; V936-I938 HydrophobicContact CG1-CG1 4.16Å; V936-I938 PolarHBondContact O-N 2.96Å; V936-S943 PolarHBondContact N-O 3.31Å; V936-S943 VanDerWaalsContact N-O 3.08Å; V936-S943 PolarHBondContact O-N 3.44Å |
| 937 | K | 94.4 | Very high | 94 | Very high | 147 Ų | 147 | 49.1 Ų | 49.1 | 64% | 0.639 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 108.3 | 171.5 | -68.5 | -169.4 | 178.4 | -172.7 | 0 | 110.6 | I941 E942 | K937-I941 CarbonylContact C-O 3.58Å; K937-I941 VanDerWaalsContact CA-O 3.29Å; K937-I941 WeakPolarHBondContact CA-O 3.38Å; K937-E942 WeakPolarHBondContact CE-OE2 3.48Å; K937-E942 HydrophobicContact CG-CB 4.03Å; K937-E942 HydrophobicContact CG-CG 4.11Å; K937-E942 IonicContact NZ-OE2 3.92Å |
| 938 | I | 90.4 | Very high | 94.1 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 116.8 | 176.7 | -52.4 | 178.9 | 0 | 0 | 0 | 107 | L893 I910 V936 G940 I941 | L893-I938 HydrophobicContact CD1-CG2 3.47Å; L893-I938 VanDerWaalsContact CD1-CG2 3.47Å; I910-I938 HydrophobicContact CB-CD1 4.28Å; I910-I938 HydrophobicContact CD1-CB 3.97Å; I910-I938 HydrophobicContact CG2-CB 4.33Å; I910-I938 HydrophobicContact CG2-CD1 4.29Å; I910-I938 HydrophobicContact CG2-CG2 4.34Å; V936-I938 HydrophobicContact CG1-CG1 4.16Å; V936-I938 PolarHBondContact O-N 2.96Å; I938-G940 PolarHBondContact O-N 2.9Å; I938-I941 PolarHBondContact N-O 3.5Å; I938-I941 PolarHBondContact O-N 2.89Å; I938-I941 VanDerWaalsContact O-N 3.14Å |
| 939 | R | 89.2 | Confident | 94 | Very high | 183 Ų | 183 | 49.7 Ų | 49.7 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 19.4 | 177.5 | -65.8 | -80.2 | -178 | -176.2 | 1.9 | 115.9 | H887 N889 A890 L893 | H887-R939 WeakPolarHBondContact CE1-CB 3.36Å; N889-R939 PolarHBondContact ND2-O 2.95Å; A890-R939 HydrophobicContact CB-CB 4.34Å; A890-R939 HydrophobicContact CB-CG 3.94Å; L893-R939 HydrophobicContact CD1-CG 4.18Å |
| 940 | G | 89.3 | Confident | 93.9 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 62% | 0.619 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.1 | -29.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | I938 | I938-G940 PolarHBondContact O-N 2.9Š|
| 941 | I | 92.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 50 Ų | 50 | 28% | 0.277 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 147.3 | -177.3 | -56.6 | -179.4 | 0 | 0 | 0 | 109.3 | I895 T908 I910 K937 I938 | I895-I941 HydrophobicContact CD1-CD1 3.46Å; I895-I941 VanDerWaalsContact CD1-CD1 3.46Å; I895-I941 HydrophobicContact CG1-CD1 4.23Å; T908-I941 HydrophobicContact CG2-CG2 4.03Å; I910-I941 HydrophobicContact CD1-CB 3.82Å; I910-I941 HydrophobicContact CD1-CG2 3.92Å; I910-I941 WeakPolarHBondContact CD1-O 3.23Å; K937-I941 CarbonylContact C-O 3.58Å; K937-I941 VanDerWaalsContact CA-O 3.29Å; K937-I941 WeakPolarHBondContact CA-O 3.38Å; I938-I941 PolarHBondContact N-O 3.5Å; I938-I941 PolarHBondContact O-N 2.89Å; I938-I941 VanDerWaalsContact O-N 3.14Å |
| 942 | E | 96.1 | Very high | 93.5 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.3 | -175.7 | -165.4 | 169 | 110.6 | 0 | 0 | 111.4 | P935 K937 Q944 | P935-E942 HydrophobicContact CB-CG 3.82Å; K937-E942 WeakPolarHBondContact CE-OE2 3.48Å; K937-E942 HydrophobicContact CG-CB 4.03Å; K937-E942 HydrophobicContact CG-CG 4.11Å; K937-E942 IonicContact NZ-OE2 3.92Å; E942-Q944 HydrophobicContact CG-CG 4.46Å |
| 943 | S | 96.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.3 | 169.2 | -162.8 | 0 | 0 | 0 | 0 | 109.4 | V909 I910 P935 V936 A945 | V909-S943 WeakPolarHBondContact CA-OG 3.29Å; I910-S943 PolarHBondContact N-OG 2.79Å; P935-S943 VanDerWaalsContact CA-O 3.24Å; P935-S943 WeakPolarHBondContact CA-O 3.37Å; V936-S943 PolarHBondContact N-O 3.31Å; V936-S943 VanDerWaalsContact N-O 3.08Å; V936-S943 PolarHBondContact O-N 3.44Å; S943-A945 PolarHBondContact OG-O 2.85Å |
| 944 | Q | 96.5 | Very high | 92.8 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | trans | -110.4 | -0.7 | -171.1 | -58 | 176.1 | -44.4 | 0 | 0 | 113.2 | R907 T908 E942 | R907-Q944 HydrophobicContact CB-CB 4.15Å; R907-Q944 HydrophobicContact CG-CB 4.37Å; R907-Q944 PolarHBondContact NH1-O 2.9Å; T908-Q944 PolarHBondContact O-N 2.69Å; E942-Q944 HydrophobicContact CG-CG 4.46Å | ||
| 945 | A | 95.8 | Very high | 92 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -152.9 | -179 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | F900 V909 F929 V930 I931 S943 | F900-A945 HydrophobicContact CZ-CB 4.42Å; V909-A945 HydrophobicContact CG2-CB 3.91Å; F929-A945 HydrophobicContact CB-CB 4.42Å; V930-A945 WeakPolarHBondContact O-CA 3.34Å; I931-A945 HydrophobicContact CB-CB 4.39Å; I931-A945 HydrophobicContact CG2-CB 3.99Å; S943-A945 PolarHBondContact OG-O 2.85Å |
| 946 | M | 95.3 | Very high | 91.3 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 124.3 | 176.7 | -175.7 | -175.5 | 80.3 | 0 | 0 | 109.6 | F929 V930 L933 L948 W1012 | F929-M946 CarbonylContact C-O 3.56Å; F929-M946 WeakPolarHBondContact CA-O 3.5Å; F929-M946 WeakPolarHBondContact CB-O 3.46Å; V930-M946 HydrophobicContact CB-CE 4.35Å; V930-M946 HydrophobicContact CG2-CE 3.94Å; V930-M946 PolarHBondContact N-O 3.44Å; V930-M946 PolarHBondContact O-N 2.82Å; L933-M946 HydrophobicContact CD1-CB 3.61Å; L933-M946 HydrophobicContact CD1-CE 3.88Å; L933-M946 HydrophobicContact CD1-CG 4.32Å; L933-M946 HydrophobicContact CD1-SD 3.68Å; M946-L948 HydrophobicContact CE-CD2 3.87Å; M946-W1012 HydrophobicContact CE-CD2 3.98Å; M946-W1012 VanDerWaalsContact CE-CE2 3.42Å; M946-W1012 HydrophobicContact CE-CE3 4.27Å; M946-W1012 HydrophobicContact CE-CH2 3.61Å; M946-W1012 HydrophobicContact CE-CZ2 3.22Å; M946-W1012 HydrophobicContact CE-CZ3 4.1Å; M946-W1012 HydrophobicContact SD-CZ2 4.34Å |
| 947 | L | 96.7 | Very high | 90.9 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 124.3 | 175.6 | 171.4 | 59.3 | 0 | 0 | 0 | 109.8 | V909 L913 L922 A927 F929 P964 | V909-L947 HydrophobicContact CG1-CB 4.47Å; L913-L947 HydrophobicContact CD1-CD2 3.75Å; L922-L947 HydrophobicContact CD2-CD2 4.27Å; A927-L947 HydrophobicContact CB-CD1 3.51Å; F929-L947 VanDerWaalsContact CD1-CA 3.49Å; F929-L947 HydrophobicContact CD1-CB 3.87Å; F929-L947 HydrophobicContact CD1-CD1 4.3Å; F929-L947 HydrophobicContact CE1-CB 3.7Å; F929-L947 HydrophobicContact CE1-CD1 3.86Å; F929-L947 HydrophobicContact CE1-CG 4.3Å; F929-L947 HydrophobicContact CE2-CD1 4.42Å; F929-L947 HydrophobicContact CZ-CD1 3.92Å; L947-P964 HydrophobicContact CD2-CB 4.43Å |
| 948 | L | 96.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | trans | -80.5 | 129.7 | 175 | -68.8 | 179.9 | 0 | 0 | 0 | 110.8 | I876 V928 V930 M946 I965 W1012 R1056 | I876-L948 HydrophobicContact CD1-CD1 4.5Å; I876-L948 HydrophobicContact CG2-CD1 4.12Å; V928-L948 HydrophobicContact CG1-CD1 4.02Å; V928-L948 PolarHBondContact O-N 2.83Å; V930-L948 HydrophobicContact CG2-CD1 4.06Å; V930-L948 HydrophobicContact CG2-CD2 3.74Å; V930-L948 HydrophobicContact CG2-CG 3.97Å; M946-L948 HydrophobicContact CE-CD2 3.87Å; L948-I965 HydrophobicContact CB-CD1 3.74Å; L948-I965 WeakPolarHBondContact O-CB 3.24Å; L948-I965 PolarHBondContact O-N 2.85Å; L948-W1012 HydrophobicContact CD2-CH2 3.55Å; L948-W1012 HydrophobicContact CD2-CZ2 4.3Å; L948-W1012 HydrophobicContact CD2-CZ3 4.21Å; L948-R1056 CarbonylContact C-O 3.44Å; L948-R1056 WeakPolarHBondContact CA-O 3.28Å | ||
| 949 | C | 95.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.4 | 176.1 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | V962 Q963 V1055 R1056 | C949-V962 HydrophobicContact CB-CG1 3.36Å; C949-Q963 CarbonylContact C-O 3.56Å; C949-Q963 VanDerWaalsContact CA-O 3.3Å; C949-Q963 WeakPolarHBondContact CA-O 3.28Å; C949-V1055 WeakPolarHBondContact O-CA 3.43Å; C949-R1056 PolarHBondContact N-O 2.87Å; C949-R1056 PolarHBondContact O-N 2.84Å |
| 950 | A | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 139.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | V962 Q963 T1021 V1045 V1049 V1055 | A950-V962 WeakPolarHBondContact O-CA 3.18Å; A950-Q963 PolarHBondContact N-O 3.25Å; A950-Q963 PolarHBondContact O-N 3.33Å; A950-T1021 HydrophobicContact CB-CG2 4.13Å; A950-V1045 HydrophobicContact CB-CG1 4.34Å; A950-V1049 HydrophobicContact CB-CG1 3.58Å; A950-V1049 HydrophobicContact CB-CG2 4.49Å; A950-V1055 HydrophobicContact CB-CG2 4.12Å |
| 951 | S | 93 | Very high | 89.8 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 139.8 | -177.5 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | K961 T1054 R1056 | S951-K961 WeakPolarHBondContact CA-O 3.38Å; S951-T1054 PolarHBondContact N-O 3.41Å; S951-T1054 PolarHBondContact O-N 3.17Å; S951-T1054 PolarHBondContact OG-O 2.8Å; S951-R1056 PolarHBondContact OG-NE 2.93Å; S951-R1056 PolarHBondContact OG-NH2 3.08Å |
| 952 | Y | 91.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 156.8 | -168.8 | 57.8 | -78.2 | 0 | 0 | 0 | 111.3 | K961 D1048 V1049 P1050 S1053 | Y952-K961 HydrophobicContact CD1-CB 4.14Å; Y952-K961 HydrophobicContact CD2-CB 4.15Å; Y952-K961 HydrophobicContact CD2-CG 4.45Å; Y952-K961 HydrophobicContact CE1-CB 3.74Å; Y952-K961 HydrophobicContact CE2-CB 3.81Å; Y952-K961 HydrophobicContact CE2-CG 3.95Å; Y952-K961 HydrophobicContact CG-CB 4.33Å; Y952-K961 PolarHBondContact N-O 3.08Å; Y952-K961 VanDerWaalsContact N-O 3.09Å; Y952-K961 PolarHBondContact O-N 3.32Å; Y952-D1048 PolarHBondContact OH-O 3.21Å; Y952-V1049 HydrophobicContact CD1-CG1 4.25Å; Y952-V1049 HydrophobicContact CE1-CB 4.38Å; Y952-V1049 HydrophobicContact CE1-CG1 4.22Å; Y952-V1049 HydrophobicContact CE1-CG2 4.14Å; Y952-P1050 HydrophobicContact CD1-CG 4.46Å; Y952-P1050 HydrophobicContact CD2-CG 3.51Å; Y952-P1050 VanDerWaalsContact CE2-CD 3.42Å; Y952-P1050 HydrophobicContact CE2-CG 4.05Å; Y952-P1050 HydrophobicContact CG-CG 3.73Å; Y952-S1053 WeakPolarHBondContact CB-OG 3.45Å |
| 953 | T | 88.6 | Confident | 89.6 | Confident | 87 Ų | 87 | 50.3 Ų | 50.3 | 53% | 0.534 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.5 | 170.9 | -52.9 | 0 | 0 | 0 | 0 | 109.2 | K955 S958 L959 | T953-K955 PolarHBondContact O-N 2.91Å; T953-S958 WeakPolarHBondContact CG2-O 3.08Å; T953-L959 WeakPolarHBondContact CA-O 3.5Å |
| 954 | E | 81.7 | Confident | 89.5 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | trans | -71.1 | 116.8 | 177.6 | 173.9 | 177.5 | -100.8 | 0 | 0 | 110.3 | S956 T957 S958 L959 K961 | E954-S956 WeakPolarHBondContact CG-OG 3.1Å; E954-S956 PolarHBondContact O-N 3.32Å; E954-T957 PolarHBondContact O-N 2.81Å; E954-T957 VanDerWaalsContact O-N 3.15Å; E954-T957 WeakPolarHBondContact OE2-CB 3.5Å; E954-T957 WeakPolarHBondContact OE2-CG2 3.23Å; E954-T957 PolarHBondContact OE2-OG1 3.31Å; E954-S958 WeakPolarHBondContact O-CA 3.2Å; E954-S958 PolarHBondContact O-N 3.11Å; E954-L959 PolarHBondContact N-O 3.4Å; E954-K961 HydrophobicContact CB-CG 3.83Å; E954-K961 WeakPolarHBondContact OE1-CE 3.29Å; E954-K961 IonicContact OE1-NZ 2.82Å; E954-K961 PolarHBondContact OE1-NZ 3.42Å; E954-K961 WeakPolarHBondContact OE2-CE 3.5Å; E954-K961 IonicContact OE2-NZ 2.6Å; E954-K961 PolarHBondContact OE2-NZ 2.83Å | ||
| 955 | K | 75.3 | Confident | 89.3 | Confident | 170 Ų | 170 | 46.8 Ų | 46.8 | 74% | 0.739 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.7 | -172.5 | -65.6 | -176.5 | -177.5 | 176.8 | 0 | 114.4 | T953 | T953-K955 PolarHBondContact O-N 2.91Š|
| 956 | S | 76.9 | Confident | 88.9 | Confident | 104 Ų | 104 | 48.7 Ų | 48.7 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -24.6 | -177.7 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | E954 | E954-S956 WeakPolarHBondContact CG-OG 3.1Å; E954-S956 PolarHBondContact O-N 3.32Å |
| 957 | T | 81.8 | Confident | 88.4 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -13.5 | -175.1 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | E954 L959 | E954-T957 PolarHBondContact O-N 2.81Å; E954-T957 VanDerWaalsContact O-N 3.15Å; E954-T957 WeakPolarHBondContact OE2-CB 3.5Å; E954-T957 WeakPolarHBondContact OE2-CG2 3.23Å; E954-T957 PolarHBondContact OE2-OG1 3.31Å; T957-L959 PolarHBondContact O-N 3.29Å; T957-L959 WeakPolarHBondContact OG1-CB 3.43Å; T957-L959 PolarHBondContact OG1-N 2.91Å |
| 958 | S | 78.6 | Confident | 87.3 | Confident | 98 Ų | 98 | 49.3 Ų | 49.3 | 69% | 0.685 | 27% | 0.27 | S | S | * | . | trans | 57.6 | 15.4 | -167.4 | -59.2 | 0 | 0 | 0 | 0 | 114.5 | T953 E954 | T953-S958 WeakPolarHBondContact CG2-O 3.08Å; E954-S958 WeakPolarHBondContact O-CA 3.2Å; E954-S958 PolarHBondContact O-N 3.11Å | ||
| 959 | L | 84.8 | Confident | 86.1 | Confident | 108 Ų | 108 | 54.8 Ų | 54.8 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 145.6 | 178.2 | -62.3 | 174.7 | 0 | 0 | 0 | 111.3 | T953 E954 T957 K961 | T953-L959 WeakPolarHBondContact CA-O 3.5Å; E954-L959 PolarHBondContact N-O 3.4Å; T957-L959 PolarHBondContact O-N 3.29Å; T957-L959 WeakPolarHBondContact OG1-CB 3.43Å; T957-L959 PolarHBondContact OG1-N 2.91Å; L959-K961 PolarHBondContact O-N 3.08Å |
| 960 | L | 86.9 | Confident | 84.9 | Confident | 77 Ų | 77 | 63 Ų | 63 | 40% | 0.403 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 118.4 | 170.8 | 179.3 | 68.2 | 0 | 0 | 0 | 109.9 | V962 | L960-V962 HydrophobicContact CD2-CG2 4.37Å; L960-V962 HydrophobicContact CG-CG2 4.21Å |
| 961 | K | 91.1 | Very high | 83.8 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 149.3 | 165.5 | -59.4 | -69.3 | 169.9 | 140.7 | 0 | 109.9 | S951 Y952 E954 L959 | S951-K961 WeakPolarHBondContact CA-O 3.38Å; Y952-K961 HydrophobicContact CD1-CB 4.14Å; Y952-K961 HydrophobicContact CD2-CB 4.15Å; Y952-K961 HydrophobicContact CD2-CG 4.45Å; Y952-K961 HydrophobicContact CE1-CB 3.74Å; Y952-K961 HydrophobicContact CE2-CB 3.81Å; Y952-K961 HydrophobicContact CE2-CG 3.95Å; Y952-K961 HydrophobicContact CG-CB 4.33Å; Y952-K961 PolarHBondContact N-O 3.08Å; Y952-K961 VanDerWaalsContact N-O 3.09Å; Y952-K961 PolarHBondContact O-N 3.32Å; E954-K961 HydrophobicContact CB-CG 3.83Å; E954-K961 WeakPolarHBondContact OE1-CE 3.29Å; E954-K961 IonicContact OE1-NZ 2.82Å; E954-K961 PolarHBondContact OE1-NZ 3.42Å; E954-K961 WeakPolarHBondContact OE2-CE 3.5Å; E954-K961 IonicContact OE2-NZ 2.6Å; E954-K961 PolarHBondContact OE2-NZ 2.83Å; L959-K961 PolarHBondContact O-N 3.08Å |
| 962 | V | 91.9 | Very high | 83.2 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 9% | 0.085 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 120.7 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | L913 L916 Y917 C949 A950 L960 | L913-V962 HydrophobicContact CD2-CB 3.99Å; L913-V962 HydrophobicContact CD2-CG1 3.47Å; L913-V962 VanDerWaalsContact CD2-CG1 3.47Å; L916-V962 HydrophobicContact CB-CB 4.41Å; L916-V962 HydrophobicContact CB-CG2 4.38Å; L916-V962 HydrophobicContact CD1-CG2 3.91Å; Y917-V962 WeakPolarHBondContact CD2-O 3.12Å; C949-V962 HydrophobicContact CB-CG1 3.36Å; A950-V962 WeakPolarHBondContact O-CA 3.18Å; L960-V962 HydrophobicContact CD2-CG2 4.37Å; L960-V962 HydrophobicContact CG-CG2 4.21Å |
| 963 | Q | 92.9 | Very high | 82.8 | Confident | 27 Ų | 27 | 70.6 Ų | 70.6 | 13% | 0.126 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 113.9 | 180 | -176.4 | 65.9 | 31.7 | 0 | 0 | 108.8 | Y917 C949 A950 I965 V1049 | Y917-Q963 PolarHBondContact OH-NE2 2.88Å; C949-Q963 CarbonylContact C-O 3.56Å; C949-Q963 VanDerWaalsContact CA-O 3.3Å; C949-Q963 WeakPolarHBondContact CA-O 3.28Å; A950-Q963 PolarHBondContact N-O 3.25Å; A950-Q963 PolarHBondContact O-N 3.33Å; Q963-I965 PolarHBondContact O-N 2.87Å; Q963-V1049 HydrophobicContact CB-CG2 3.6Å; Q963-V1049 HydrophobicContact CG-CG2 3.6Å |
| 964 | P | 93.7 | Very high | 82.8 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 131.1 | 170.7 | -25 | 35.1 | 0 | 0 | 0 | 111 | L913 Y917 L922 L947 H966 | L913-P964 HydrophobicContact CD1-CG 3.94Å; Y917-P964 HydrophobicContact CD1-CG 3.83Å; Y917-P964 HydrophobicContact CD2-CG 4.25Å; Y917-P964 HydrophobicContact CE1-CG 3.83Å; Y917-P964 VanDerWaalsContact CE2-CD 3.47Å; Y917-P964 HydrophobicContact CE2-CG 4.29Å; Y917-P964 HydrophobicContact CG-CG 4.01Å; L922-P964 HydrophobicContact CD2-CB 4.19Å; L922-P964 HydrophobicContact CD2-CG 3.7Å; L947-P964 HydrophobicContact CD2-CB 4.43Å; P964-H966 PolarHBondContact O-N 2.91Å; P964-H966 PolarHBondContact O-ND1 3.3Å |
| 965 | I | 93.2 | Very high | 83.4 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | trans | -77.4 | 118.5 | 176.6 | -61.7 | 159.9 | 0 | 0 | 0 | 107 | A927 V928 L948 Q963 I1027 I1043 V1045 V1055 | A927-I965 CarbonylContact C-O 3.55Å; A927-I965 WeakPolarHBondContact CA-O 3.3Å; V928-I965 HydrophobicContact CB-CB 4.35Å; V928-I965 HydrophobicContact CB-CG2 4.06Å; V928-I965 HydrophobicContact CG2-CB 4.23Å; V928-I965 HydrophobicContact CG2-CG2 3.52Å; V928-I965 PolarHBondContact N-O 2.68Å; L948-I965 HydrophobicContact CB-CD1 3.74Å; L948-I965 WeakPolarHBondContact O-CB 3.24Å; L948-I965 PolarHBondContact O-N 2.85Å; Q963-I965 PolarHBondContact O-N 2.87Å; I965-I1027 HydrophobicContact CB-CD1 4.32Å; I965-I1027 HydrophobicContact CD1-CD1 3.41Å; I965-I1027 VanDerWaalsContact CD1-CD1 3.41Å; I965-I1027 HydrophobicContact CD1-CG1 4.46Å; I965-I1027 HydrophobicContact CG1-CD1 3.92Å; I965-I1027 HydrophobicContact CG2-CD1 3.51Å; I965-I1043 HydrophobicContact CG2-CG2 3.58Å; I965-V1045 HydrophobicContact CG1-CG1 4Å; I965-V1045 HydrophobicContact CG2-CG1 4.47Å; I965-V1055 HydrophobicContact CD1-CB 4.34Å; I965-V1055 HydrophobicContact CD1-CG1 3.45Å; I965-V1055 VanDerWaalsContact CD1-CG1 3.45Å; I965-V1055 HydrophobicContact CD1-CG2 4.03Å | ||
| 966 | H | 87.2 | Confident | 84.2 | Confident | 48 Ų | 48 | 64 Ų | 64 | 22% | 0.222 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 155.6 | -173.2 | 66.8 | -73.7 | 0 | 0 | 0 | 111 | C925 Y926 P964 | C925-H966 WeakPolarHBondContact SG-CB 3.3Å; Y926-H966 CarbonylContact O-C 3.55Å; Y926-H966 WeakPolarHBondContact O-CA 2.95Å; Y926-H966 WeakPolarHBondContact O-CB 3.41Å; P964-H966 PolarHBondContact O-N 2.91Å; P964-H966 PolarHBondContact O-ND1 3.3Å |
| 967 | L | 83.5 | Confident | 85 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 143.2 | 172.8 | -71 | 90.4 | 0 | 0 | 0 | 109.9 | I878 Y926 V928 Q971 P973 | I878-L967 HydrophobicContact CD1-CD1 3.4Å; I878-L967 VanDerWaalsContact CD1-CD1 3.4Å; I878-L967 HydrophobicContact CG1-CD1 4.12Å; I878-L967 HydrophobicContact CG2-CD1 4.35Å; Y926-L967 PolarHBondContact O-N 3.31Å; V928-L967 HydrophobicContact CG2-CD1 4.03Å; L967-Q971 HydrophobicContact CB-CB 4.39Å; L967-Q971 VanDerWaalsContact CB-OE1 3.26Å; L967-Q971 HydrophobicContact CD2-CB 4.05Å; L967-P973 HydrophobicContact CB-CB 4.2Å |
| 968 | T | 74.9 | Confident | 85.5 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | trans | -78.5 | 155.6 | 170.8 | 70.7 | 0 | 0 | 0 | 0 | 109.9 | Q970 Q971 | T968-Q970 PolarHBondContact O-N 2.81Å; T968-Q971 PolarHBondContact O-N 2.64Å | ||
| 969 | N | 70.4 | Confident | 86.2 | Confident | 117 Ų | 117 | 53.8 Ų | 53.8 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -57 | -25.3 | 175.7 | -71 | -22.8 | 0 | 0 | 0 | 112.8 | Y926 Q971 N972 | Y926-N969 VanDerWaalsContact CE2-OD1 3.27Å; Y926-N969 WeakPolarHBondContact CE2-OD1 3.14Å; N969-Q971 PolarHBondContact O-N 2.88Å; N969-N972 PolarHBondContact O-N 2.57Å |
| 970 | Q | 69.3 | Low | 86.7 | Confident | 183 Ų | 183 | 48.7 Ų | 48.7 | 86% | 0.855 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -65.3 | -24.3 | 176.2 | -64.1 | 175.9 | -15.9 | 0 | 0 | 113 | T968 N972 | T968-Q970 PolarHBondContact O-N 2.81Å; Q970-N972 VanDerWaalsContact C-N 3.27Å; Q970-N972 PolarHBondContact O-N 3.23Å |
| 971 | Q | 71.8 | Confident | 87 | Confident | 56 Ų | 56 | 45.1 Ų | 45.1 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -85.2 | 5.4 | 178.6 | -64.9 | 170.1 | -49.5 | 0 | 0 | 113.3 | L967 T968 N969 K1041 | L967-Q971 HydrophobicContact CB-CB 4.39Å; L967-Q971 VanDerWaalsContact CB-OE1 3.26Å; L967-Q971 HydrophobicContact CD2-CB 4.05Å; T968-Q971 PolarHBondContact O-N 2.64Å; N969-Q971 PolarHBondContact O-N 2.88Å; Q971-K1041 WeakPolarHBondContact O-CE 3.35Å; Q971-K1041 PolarHBondContact O-NZ 3.23Å |
| 972 | N | 80.1 | Confident | 86.8 | Confident | 128 Ų | 128 | 43.3 Ų | 43.3 | 68% | 0.684 | 22% | 0.223 | S | C | * | . | trans | 42.7 | 68.8 | -175.1 | -77.7 | -30.8 | 0 | 0 | 0 | 112.3 | N969 Q970 I974 K1041 | N969-N972 PolarHBondContact O-N 2.57Å; Q970-N972 VanDerWaalsContact C-N 3.27Å; Q970-N972 PolarHBondContact O-N 3.23Å; N972-I974 PolarHBondContact O-N 3.4Å; N972-K1041 PolarHBondContact O-NZ 2.9Å | ||
| 973 | P | 83.3 | Confident | 86.3 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | trans | -64 | 129.6 | 177.4 | 26.1 | -33.3 | 0 | 0 | 0 | 111.2 | I878 Y926 L967 | I878-P973 HydrophobicContact CG2-CB 4.13Å; Y926-P973 HydrophobicContact CD1-CB 3.62Å; Y926-P973 HydrophobicContact CD1-CG 3.52Å; Y926-P973 HydrophobicContact CD2-CG 3.67Å; Y926-P973 HydrophobicContact CE1-CB 4.22Å; Y926-P973 HydrophobicContact CE1-CG 3.82Å; Y926-P973 HydrophobicContact CE2-CG 3.99Å; Y926-P973 HydrophobicContact CG-CB 3.78Å; Y926-P973 HydrophobicContact CG-CG 3.42Å; Y926-P973 VanDerWaalsContact CG-CG 3.42Å; L967-P973 HydrophobicContact CB-CB 4.2Å | ||
| 974 | I | 89.5 | Confident | 84.8 | Confident | 107 Ų | 107 | 48 Ų | 48 | 55% | 0.549 | 25% | 0.245 | S | C | . | . | trans | -104.6 | 125.5 | 175.7 | -65.4 | 168.2 | 0 | 0 | 0 | 108 | N972 G976 E977 | N972-I974 PolarHBondContact O-N 3.4Å; I974-G976 PolarHBondContact O-N 3.47Å; I974-E977 HydrophobicContact CB-CB 3.98Å; I974-E977 HydrophobicContact CG2-CB 4.3Å; I974-E977 PolarHBondContact N-OE2 3.18Å; I974-E977 WeakPolarHBondContact O-CB 3.49Å; I974-E977 PolarHBondContact O-N 2.76Å; I974-E977 VanDerWaalsContact O-N 3.12Å | ||
| 975 | L | 93.6 | Very high | 82.9 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.277 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 129 | 179.7 | -57.6 | -175.3 | 0 | 0 | 0 | 110.6 | L880 F900 Y926 E977 | L880-L975 HydrophobicContact CB-CD2 3.65Å; F900-L975 CarbonylContact O-C 3.47Å; Y926-L975 HydrophobicContact CD1-CD2 3.8Å; Y926-L975 HydrophobicContact CE1-CD2 3.66Å; L975-E977 VanDerWaalsContact C-N 3.26Å; L975-E977 PolarHBondContact O-N 3.17Å |
| 976 | G | 92.4 | Very high | 80.4 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R877 I878 F900 I974 R978 | R877-G976 WeakPolarHBondContact CD-O 3.48Å; R877-G976 PolarHBondContact NH1-O 3.04Å; I878-G976 PolarHBondContact O-N 3.5Å; F900-G976 VanDerWaalsContact O-CA 3.29Å; F900-G976 WeakPolarHBondContact O-CA 3.32Å; F900-G976 PolarHBondContact O-N 3.3Å; I974-G976 PolarHBondContact O-N 3.47Å; G976-R978 PolarHBondContact O-N 3.3Å |
| 977 | E | 93.8 | Very high | 77.9 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 17% | 0.168 | 32% | 0.323 | C | S | . | . | trans | -57 | 126.5 | 171.4 | -173.1 | -178.6 | -174 | 0 | 0 | 109.9 | R877 I878 I974 L975 F979 K1041 | R877-E977 WeakPolarHBondContact CA-O 3.28Å; I878-E977 HydrophobicContact CG1-CB 4.27Å; I878-E977 PolarHBondContact N-O 3.25Å; I974-E977 HydrophobicContact CB-CB 3.98Å; I974-E977 HydrophobicContact CG2-CB 4.3Å; I974-E977 PolarHBondContact N-OE2 3.18Å; I974-E977 WeakPolarHBondContact O-CB 3.49Å; I974-E977 PolarHBondContact O-N 2.76Å; I974-E977 VanDerWaalsContact O-N 3.12Å; L975-E977 VanDerWaalsContact C-N 3.26Å; L975-E977 PolarHBondContact O-N 3.17Å; E977-F979 HydrophobicContact CB-CE2 4.09Å; E977-F979 VanDerWaalsContact CD-CE2 3.48Å; E977-F979 HydrophobicContact CG-CD2 4.25Å; E977-F979 HydrophobicContact CG-CE2 3.58Å; E977-F979 HydrophobicContact CG-CZ 4.32Å; E977-K1041 IonicContact OE1-NZ 3.02Å; E977-K1041 PolarHBondContact OE1-NZ 2.89Å; E977-K1041 IonicContact OE2-NZ 3.77Å; E977-K1041 PolarHBondContact OE2-NZ 2.96Å | ||
| 978 | R | 93.4 | Very high | 75.4 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 5% | 0.045 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.6 | -179.3 | 173.2 | 173.2 | 164.9 | 68.8 | 1.6 | 110.9 | N872 L874 D875 I876 R877 G976 I980 R999 I1037 | N872-R978 PolarHBondContact O-NH2 3.49Å; L874-R978 PolarHBondContact O-NH1 3.45Å; D875-R978 WeakPolarHBondContact OD1-CD 3.37Å; D875-R978 IonicContact OD1-CZ 2.72Å; D875-R978 IonicContact OD1-NH1 2.62Å; D875-R978 PolarHBondContact OD1-NH1 3.24Å; I876-R978 WeakPolarHBondContact O-CA 3.46Å; R877-R978 HydrophobicContact CG-CB 4.33Å; G976-R978 PolarHBondContact O-N 3.3Å; R978-I980 HydrophobicContact CG-CG2 4.35Å; R978-R999 PolarHBondContact NH2-O 3.28Å; R978-I1037 HydrophobicContact CB-CD1 4.01Å; R978-I1037 HydrophobicContact CG-CD1 4.27Å; R978-I1037 PolarHBondContact O-N 2.95Å |
| 979 | F | 93.6 | Very high | 73.3 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 144.5 | 175.7 | -74.9 | -109.4 | 0 | 0 | 0 | 109.8 | I876 I878 E977 L1034 G1035 S1036 K1041 I1043 | I876-F979 HydrophobicContact CG2-CB 4.36Å; I876-F979 PolarHBondContact O-N 2.91Å; I878-F979 HydrophobicContact CD1-CD2 3.87Å; I878-F979 HydrophobicContact CD1-CE2 3.63Å; I878-F979 HydrophobicContact CD1-CZ 4.34Å; I878-F979 HydrophobicContact CG1-CD2 4.05Å; I878-F979 HydrophobicContact CG1-CE2 3.53Å; I878-F979 HydrophobicContact CG1-CZ 4.41Å; E977-F979 HydrophobicContact CB-CE2 4.09Å; E977-F979 VanDerWaalsContact CD-CE2 3.48Å; E977-F979 HydrophobicContact CG-CD2 4.25Å; E977-F979 HydrophobicContact CG-CE2 3.58Å; E977-F979 HydrophobicContact CG-CZ 4.32Å; F979-L1034 HydrophobicContact CB-CD1 3.78Å; F979-L1034 HydrophobicContact CB-CG 4.26Å; F979-G1035 CarbonylContact C-O 3.5Å; F979-G1035 VanDerWaalsContact CA-O 3.26Å; F979-G1035 WeakPolarHBondContact CA-O 3.44Å; F979-S1036 VanDerWaalsContact CE1-N 3.32Å; F979-K1041 HydrophobicContact CE1-CG 4.48Å; F979-K1041 HydrophobicContact CZ-CD 4.25Å; F979-K1041 HydrophobicContact CZ-CG 4.47Å; F979-I1043 HydrophobicContact CB-CD1 4.25Å; F979-I1043 HydrophobicContact CD1-CD1 3.48Å; F979-I1043 VanDerWaalsContact CD1-CD1 3.48Å; F979-I1043 HydrophobicContact CD1-CG1 3.33Å; F979-I1043 HydrophobicContact CD2-CD1 4.29Å; F979-I1043 HydrophobicContact CE1-CD1 3.86Å; F979-I1043 HydrophobicContact CE1-CG1 3.45Å; F979-I1043 VanDerWaalsContact CE1-CG1 3.45Å; F979-I1043 HydrophobicContact CG-CD1 3.75Å; F979-I1043 HydrophobicContact CG-CG1 4.14Å; F979-I1043 HydrophobicContact CZ-CD1 4.42Å; F979-I1043 HydrophobicContact CZ-CG1 4.33Å |
| 980 | I | 93.7 | Very high | 71.5 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 160.2 | -178.3 | 62.6 | 174.9 | 0 | 0 | 0 | 109.9 | R978 H982 F998 G1035 | R978-I980 HydrophobicContact CG-CG2 4.35Å; I980-H982 WeakPolarHBondContact CG1-NE2 3.49Å; I980-H982 PolarHBondContact O-CD2 3.03Å; I980-F998 HydrophobicContact CD1-CD2 3.77Å; I980-F998 HydrophobicContact CD1-CE2 3.64Å; I980-F998 HydrophobicContact CD1-CG 4.48Å; I980-F998 HydrophobicContact CD1-CZ 4.26Å; I980-G1035 PolarHBondContact N-O 2.92Å; I980-G1035 PolarHBondContact O-N 2.69Å |
| 981 | F | 92.9 | Very high | 69.8 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.1 | 176 | -62.1 | -95.3 | 0 | 0 | 0 | 110.6 | P871 N872 I876 L1019 I1027 W1029 L1032 R1033 L1034 | P871-F981 HydrophobicContact CB-CD2 3.55Å; P871-F981 HydrophobicContact CB-CE2 3.78Å; P871-F981 HydrophobicContact CB-CG 4.18Å; P871-F981 HydrophobicContact CG-CB 4.03Å; P871-F981 HydrophobicContact CG-CD2 3.8Å; P871-F981 HydrophobicContact CG-CE2 4.48Å; P871-F981 HydrophobicContact CG-CG 4Å; N872-F981 PolarHBondContact ND2-O 2.9Å; N872-F981 WeakPolarHBondContact OD1-CB 3.26Å; N872-F981 PolarHBondContact OD1-N 3.16Å; N872-F981 PolarHBondContact OD1-O 2.83Å; I876-F981 HydrophobicContact CD1-CE2 3.52Å; I876-F981 HydrophobicContact CD1-CZ 3.96Å; F981-L1019 HydrophobicContact CE1-CD1 3.52Å; F981-L1019 HydrophobicContact CZ-CD1 3.44Å; F981-L1019 VanDerWaalsContact CZ-CD1 3.44Å; F981-I1027 HydrophobicContact CE1-CG2 4.39Å; F981-W1029 HydrophobicContact CD1-CB 3.84Å; F981-W1029 HydrophobicContact CE1-CB 3.79Å; F981-W1029 HydrophobicContact CG-CB 4.48Å; F981-W1029 HydrophobicContact CZ-CB 4.39Å; F981-L1032 HydrophobicContact CB-CB 3.63Å; F981-L1032 HydrophobicContact CB-CD1 4.19Å; F981-R1033 CarbonylContact C-O 3.53Å; F981-R1033 WeakPolarHBondContact CA-O 3.47Å; F981-L1034 HydrophobicContact CD1-CB 3.97Å; F981-L1034 HydrophobicContact CD1-CD1 4.41Å; F981-L1034 HydrophobicContact CD2-CD1 4.1Å; F981-L1034 HydrophobicContact CE1-CB 3.75Å; F981-L1034 HydrophobicContact CE1-CD1 4.22Å; F981-L1034 HydrophobicContact CE1-CG 4.4Å; F981-L1034 HydrophobicContact CE2-CD1 3.91Å; F981-L1034 HydrophobicContact CG-CD1 4.35Å; F981-L1034 HydrophobicContact CZ-CB 4.26Å; F981-L1034 HydrophobicContact CZ-CD1 3.95Å; F981-L1034 HydrophobicContact CZ-CD2 4.37Å; F981-L1034 HydrophobicContact CZ-CG 4.42Å |
| 982 | H | 88.2 | Confident | 68.2 | Low | 28 Ų | 28 | 65.3 Ų | 65.3 | 13% | 0.13 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 145.7 | 179.8 | -63.3 | -88.8 | 0 | 0 | 0 | 111 | I980 L1032 R1033 S1036 W1042 | I980-H982 WeakPolarHBondContact CG1-NE2 3.49Å; I980-H982 PolarHBondContact O-CD2 3.03Å; H982-L1032 CarbonylContact O-C 3.53Å; H982-L1032 WeakPolarHBondContact O-CA 3.43Å; H982-R1033 PolarHBondContact N-O 3.38Å; H982-R1033 PolarHBondContact O-N 3.34Å; H982-S1036 PolarHBondContact NE2-O 3.02Å; H982-W1042 HydrophobicContact CB-CH2 3.86Å; H982-W1042 HydrophobicContact CB-CZ3 3.99Å; H982-W1042 AromaticContact CD2-CZ3 3.76Å |
| 983 | P | 80.4 | Confident | 66.2 | Low | 30 Ų | 30 | 61.7 Ų | 61.7 | 20% | 0.195 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 138.7 | 173.6 | 30.9 | -37.4 | 0 | 0 | 0 | 111.6 | I985 W997 L1032 | P983-I985 PolarHBondContact O-N 3.28Å; P983-W997 HydrophobicContact CB-CE3 4.17Å; P983-W997 HydrophobicContact CB-CH2 4.12Å; P983-W997 HydrophobicContact CB-CZ3 3.89Å; P983-W997 HydrophobicContact CG-CD2 3.71Å; P983-W997 HydrophobicContact CG-CE3 3.72Å; P983-W997 HydrophobicContact CG-CG 4.4Å; P983-W997 HydrophobicContact CG-CH2 3.87Å; P983-W997 HydrophobicContact CG-CZ2 3.88Å; P983-W997 HydrophobicContact CG-CZ3 3.79Å; P983-L1032 HydrophobicContact CB-CD2 3.98Å |
| 984 | F | 62.3 | Low | 64.2 | Low | 110 Ų | 110 | 64.2 Ų | 64.2 | 48% | 0.482 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -62.3 | -22.1 | 178.5 | -141.7 | -70 | 0 | 0 | 0 | 113.7 | E986 H1031 R1033 | F984-E986 PolarHBondContact O-N 2.99Å; F984-H1031 PolarHBondContact N-O 2.7Å; F984-R1033 VanDerWaalsContact CE2-CZ 3.41Å; F984-R1033 VanDerWaalsContact CZ-CZ 3.45Å |
| 985 | I | 52.6 | Low | 62 | Low | 132 Ų | 132 | 63.3 Ų | 63.3 | 68% | 0.677 | 37% | 0.367 | S | S | * | . | trans | -89.6 | 101.9 | -172.6 | -54.4 | 177.5 | 0 | 0 | 0 | 110.3 | P983 T987 | P983-I985 PolarHBondContact O-N 3.28Å; I985-T987 VanDerWaalsContact C-N 3.33Å; I985-T987 HydrophobicContact CG2-CG2 4.3Å; I985-T987 PolarHBondContact O-N 3.04Å | ||
| 986 | E | 41.6 | Very low | 59.7 | Low | 175 Ų | 175 | 67 Ų | 67 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | trans | -64.3 | 88.9 | 169.1 | -71.6 | -162.4 | 154.2 | 0 | 0 | 111.6 | F984 S988 | F984-E986 PolarHBondContact O-N 2.99Å; E986-S988 PolarHBondContact O-N 3.49Å; E986-S988 VanDerWaalsContact O-N 3.1Å | ||
| 987 | T | 34.1 | Very low | 58.1 | Low | 62 Ų | 62 | 71.2 Ų | 71.2 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | trans | -73.5 | 98.2 | 165.8 | 47.2 | 0 | 0 | 0 | 0 | 108.7 | I985 N989 S990 | I985-T987 VanDerWaalsContact C-N 3.33Å; I985-T987 HydrophobicContact CG2-CG2 4.3Å; I985-T987 PolarHBondContact O-N 3.04Å; T987-N989 PolarHBondContact O-N 3.18Å; T987-S990 WeakPolarHBondContact O-CB 3.43Å; T987-S990 PolarHBondContact O-OG 2.92Å | ||
| 988 | S | 31.9 | Very low | 56.5 | Low | 68 Ų | 68 | 73.2 Ų | 73.2 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -60.7 | 6.7 | -174.7 | 56.3 | 0 | 0 | 0 | 0 | 116.8 | N621 E986 | N621-S988 VanDerWaalsContact CG-OG 3.25Å; N621-S988 VanDerWaalsContact ND2-CB 3.33Å; N621-S988 WeakPolarHBondContact ND2-CB 3.44Å; N621-S988 PolarHBondContact ND2-OG 3.19Å; N621-S988 PolarHBondContact OD1-OG 3.43Å; E986-S988 PolarHBondContact O-N 3.49Å; E986-S988 VanDerWaalsContact O-N 3.1Å |
| 989 | N | 30.6 | Very low | 55.5 | Low | 137 Ų | 137 | 76 Ų | 76 | 73% | 0.733 | 42% | 0.418 | S | S | * | . | trans | -128.2 | 63.9 | 175.8 | -73.8 | -75.1 | 0 | 0 | 0 | 109.9 | T987 | T987-N989 PolarHBondContact O-N 3.18Š| ||
| 990 | S | 32.3 | Very low | 55 | Low | 50 Ų | 50 | 82.2 Ų | 82.2 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | trans | -128.2 | 18 | -163.7 | 48.9 | 0 | 0 | 0 | 0 | 116.5 | T987 S992 L993 S994 | T987-S990 WeakPolarHBondContact O-CB 3.43Å; T987-S990 PolarHBondContact O-OG 2.92Å; S990-S992 PolarHBondContact O-N 3.29Å; S990-L993 PolarHBondContact O-N 2.85Å; S990-S994 PolarHBondContact O-N 3.31Å | ||
| 991 | S | 33.3 | Very low | 54.8 | Low | 125 Ų | 125 | 83.2 Ų | 83.2 | 87% | 0.874 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -13.6 | 165.2 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 992 | S | 37.8 | Very low | 54.6 | Low | 87 Ų | 87 | 84.7 Ų | 84.7 | 61% | 0.608 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -3.7 | 175.4 | 56.6 | 0 | 0 | 0 | 0 | 114.8 | S990 | S990-S992 PolarHBondContact O-N 3.29Š|
| 993 | L | 39.7 | Very low | 54.4 | Low | 52 Ų | 52 | 92.6 Ų | 92.6 | 27% | 0.272 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -21.5 | 179.9 | -82.9 | 157.3 | 0 | 0 | 0 | 112.8 | S990 S995 L996 W997 | S990-L993 PolarHBondContact O-N 2.85Å; L993-S995 PolarHBondContact O-N 3.09Å; L993-S995 VanDerWaalsContact O-N 3.15Å; L993-L996 HydrophobicContact CD2-CD1 4Å; L993-L996 PolarHBondContact O-N 3.29Å; L993-L996 VanDerWaalsContact O-N 3.12Å; L993-W997 PolarHBondContact O-NE1 3.21Å |
| 994 | S | 41.6 | Very low | 54.8 | Low | 72 Ų | 72 | 95.7 Ų | 95.7 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -52.7 | -35.8 | -179.7 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | S990 L996 | S990-S994 PolarHBondContact O-N 3.31Å; S994-L996 VanDerWaalsContact C-N 3.29Å; S994-L996 PolarHBondContact O-N 3.41Å |
| 995 | S | 41.7 | Very low | 55.8 | Low | 87 Ų | 87 | 91.1 Ų | 91.1 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.8 | -8.6 | -178.9 | 55.1 | 0 | 0 | 0 | 0 | 115.9 | L993 | L993-S995 PolarHBondContact O-N 3.09Å; L993-S995 VanDerWaalsContact O-N 3.15Å |
| 996 | L | 46.6 | Very low | 56.9 | Low | 132 Ų | 132 | 87.6 Ų | 87.6 | 69% | 0.691 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -91.8 | -27 | -177.1 | -82 | 159.4 | 0 | 0 | 0 | 114.2 | L993 S994 | L993-L996 HydrophobicContact CD2-CD1 4Å; L993-L996 PolarHBondContact O-N 3.29Å; L993-L996 VanDerWaalsContact O-N 3.12Å; S994-L996 VanDerWaalsContact C-N 3.29Å; S994-L996 PolarHBondContact O-N 3.41Å |
| 997 | W | 57.8 | Low | 58.3 | Low | 95 Ų | 95 | 83.7 Ų | 83.7 | 36% | 0.36 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -91.8 | -22.2 | 175.9 | -29 | 87 | 0 | 0 | 0 | 111.5 | N872 P983 L993 R999 | N872-W997 PolarHBondContact ND2-O 3.19Å; P983-W997 HydrophobicContact CB-CE3 4.17Å; P983-W997 HydrophobicContact CB-CH2 4.12Å; P983-W997 HydrophobicContact CB-CZ3 3.89Å; P983-W997 HydrophobicContact CG-CD2 3.71Å; P983-W997 HydrophobicContact CG-CE3 3.72Å; P983-W997 HydrophobicContact CG-CG 4.4Å; P983-W997 HydrophobicContact CG-CH2 3.87Å; P983-W997 HydrophobicContact CG-CZ2 3.88Å; P983-W997 HydrophobicContact CG-CZ3 3.79Å; L993-W997 PolarHBondContact O-NE1 3.21Å; W997-R999 PolarHBondContact O-N 2.78Å |
| 998 | F | 61.4 | Low | 59.7 | Low | 79 Ų | 79 | 89.9 Ų | 89.9 | 35% | 0.346 | 50% | 0.495 | S | S | . | . | trans | -75 | 104.9 | -177 | -138.3 | -80 | 0 | 0 | 0 | 110.8 | I980 I1037 | I980-F998 HydrophobicContact CD1-CD2 3.77Å; I980-F998 HydrophobicContact CD1-CE2 3.64Å; I980-F998 HydrophobicContact CD1-CG 4.48Å; I980-F998 HydrophobicContact CD1-CZ 4.26Å; F998-I1037 HydrophobicContact CE2-CB 4.3Å; F998-I1037 HydrophobicContact CE2-CG1 4.24Å; F998-I1037 HydrophobicContact CE2-CG2 3.84Å; F998-I1037 HydrophobicContact CZ-CB 4.06Å; F998-I1037 HydrophobicContact CZ-CD1 4.01Å; F998-I1037 HydrophobicContact CZ-CG1 3.65Å; F998-I1037 HydrophobicContact CZ-CG2 3.62Å | ||
| 999 | R | 71.9 | Confident | 61.7 | Low | 69 Ų | 69 | 88.1 Ų | 88.1 | 26% | 0.26 | 48% | 0.482 | S | S | . | . | trans | -122.8 | 127.2 | 177.6 | -174.4 | 163.6 | 171.3 | 172.3 | -7.3 | 108.9 | D867 N872 R978 W997 D1002 | D867-R999 PolarHBondContact O-NH1 2.99Å; D867-R999 IonicContact OD1-NH1 3.16Å; D867-R999 PolarHBondContact OD1-NH1 3.42Å; N872-R999 HydrophobicContact CB-CB 4.16Å; R978-R999 PolarHBondContact NH2-O 3.28Å; W997-R999 PolarHBondContact O-N 2.78Å; R999-D1002 IonicContact NH2-OD1 2.72Å | ||
| 1000 | E | 81.6 | Confident | 64.2 | Low | 132 Ų | 132 | 87.2 Ų | 87.2 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 141.8 | 165.6 | -74.7 | -56.6 | 127.9 | 0 | 0 | 109.2 | ||
| 1001 | P | 90 | Very high | 66.9 | Low | 22 Ų | 22 | 84.9 Ų | 84.9 | 14% | 0.143 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 154.6 | -178.5 | 29.3 | -31 | 0 | 0 | 0 | 110.6 | D875 Q1003 | D875-P1001 HydrophobicContact CB-CB 3.66Å; D875-P1001 HydrophobicContact CB-CG 3.9Å; P1001-Q1003 PolarHBondContact O-N 2.93Å |
| 1002 | D | 88.2 | Confident | 69.6 | Low | 34 Ų | 34 | 80.7 Ų | 80.7 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 127 | 168 | -69.7 | 14 | 0 | 0 | 0 | 107.9 | R873 N932 R999 L1004 L1005 | R873-D1002 IonicContact CZ-OD2 2.82Å; R873-D1002 VanDerWaalsContact CZ-OD2 3.25Å; R873-D1002 IonicContact NE-OD1 3.74Å; R873-D1002 PolarHBondContact NE-OD1 2.9Å; R873-D1002 VanDerWaalsContact NE-OD1 3.15Å; R873-D1002 IonicContact NE-OD2 3.79Å; R873-D1002 PolarHBondContact NE-OD2 3.13Å; R873-D1002 IonicContact NH2-OD1 3.61Å; R873-D1002 IonicContact NH2-OD2 2.74Å; R873-D1002 PolarHBondContact NH2-OD2 2.78Å; R873-D1002 PolarHBondContact O-N 3.27Å; N932-D1002 WeakPolarHBondContact CB-O 3.5Å; N932-D1002 PolarHBondContact ND2-O 2.89Å; R999-D1002 IonicContact NH2-OD1 2.72Å; D1002-L1004 PolarHBondContact O-N 2.88Å; D1002-L1004 VanDerWaalsContact O-N 3.11Å; D1002-L1005 HydrophobicContact CB-CD2 4Å |
| 1003 | Q | 84.7 | Confident | 71.9 | Confident | 194 Ų | 194 | 81.7 Ų | 81.7 | 91% | 0.907 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -55.3 | -35.2 | -176.7 | -71.7 | -176.2 | -12.4 | 0 | 0 | 113.2 | P1001 | P1001-Q1003 PolarHBondContact O-N 2.93Š|
| 1004 | L | 88.4 | Confident | 74.3 | Confident | 96 Ų | 96 | 83.1 Ų | 83.1 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -148.8 | 129.4 | 167 | -157.8 | 76.4 | 0 | 0 | 0 | 109.2 | N932 K934 D1002 S1006 | N932-L1004 CarbonylContact O-C 3.57Å; N932-L1004 WeakPolarHBondContact O-CA 3.45Å; K934-L1004 HydrophobicContact CB-CD2 4.15Å; K934-L1004 HydrophobicContact CB-CG 4.4Å; K934-L1004 HydrophobicContact CG-CD2 4.22Å; D1002-L1004 PolarHBondContact O-N 2.88Å; D1002-L1004 VanDerWaalsContact O-N 3.11Å; L1004-S1006 PolarHBondContact O-N 2.77Å |
| 1005 | L | 84.4 | Confident | 76.7 | Confident | 14 Ų | 14 | 79.7 Ų | 79.7 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | trans | -68.9 | 124.1 | -178.5 | -69.6 | 164.9 | 0 | 0 | 0 | 110.8 | L874 N932 L933 D1002 S1007 L1011 | L874-L1005 HydrophobicContact CD2-CD1 3.55Å; L874-L1005 HydrophobicContact CD2-CD2 4.37Å; N932-L1005 PolarHBondContact O-N 3.2Å; N932-L1005 VanDerWaalsContact OD1-CD1 3.3Å; N932-L1005 WeakPolarHBondContact OD1-CD1 3.42Å; L933-L1005 HydrophobicContact CD2-CD1 3.73Å; L933-L1005 HydrophobicContact CG-CD1 4.15Å; D1002-L1005 HydrophobicContact CB-CD2 4Å; L1005-S1007 PolarHBondContact O-N 3.06Å; L1005-L1011 HydrophobicContact CD2-CD2 3.77Å | ||
| 1006 | S | 75.2 | Confident | 78.9 | Confident | 58 Ų | 58 | 76.7 Ų | 76.7 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | trans | -72.2 | 122.6 | -179.4 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | L1004 K1008 T1009 | L1004-S1006 PolarHBondContact O-N 2.77Å; S1006-K1008 PolarHBondContact O-N 3.27Å; S1006-K1008 PolarHBondContact OG-N 2.86Å; S1006-T1009 PolarHBondContact O-N 3.32Å; S1006-T1009 PolarHBondContact O-OG1 3.23Å | ||
| 1007 | S | 70.2 | Confident | 80.9 | Confident | 93 Ų | 93 | 73.3 Ų | 73.3 | 65% | 0.65 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -6.8 | 175.2 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | L1005 | L1005-S1007 PolarHBondContact O-N 3.06Š|
| 1008 | K | 65.4 | Low | 82.4 | Confident | 191 Ų | 191 | 71.5 Ų | 71.5 | 83% | 0.83 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -31.4 | 169.3 | -66.6 | -172.3 | 176.3 | -174.9 | 0 | 113 | S1006 | S1006-K1008 PolarHBondContact O-N 3.27Å; S1006-K1008 PolarHBondContact OG-N 2.86Å |
| 1009 | T | 72.8 | Confident | 84 | Confident | 32 Ų | 32 | 68 Ų | 68 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -25.4 | -177.8 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | S1006 L1011 Q1014 | S1006-T1009 PolarHBondContact O-N 3.32Å; S1006-T1009 PolarHBondContact O-OG1 3.23Å; T1009-L1011 PolarHBondContact O-N 2.86Å; T1009-L1011 VanDerWaalsContact O-N 3.16Å; T1009-Q1014 PolarHBondContact O-NE2 3.27Å; T1009-Q1014 VanDerWaalsContact O-NE2 3.1Å |
| 1010 | K | 83.5 | Confident | 85 | Confident | 117 Ų | 117 | 65.9 Ų | 65.9 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | trans | 51 | 34.9 | -176 | -62.8 | -163.3 | 171.9 | -167.7 | 0 | 113.1 | W1012 E1013 Q1014 | K1010-W1012 VanDerWaalsContact C-N 3.27Å; K1010-W1012 PolarHBondContact O-N 2.85Å; K1010-E1013 WeakPolarHBondContact CA-OE2 3.33Å; K1010-E1013 HydrophobicContact CB-CB 4.41Å; K1010-E1013 WeakPolarHBondContact CB-OE1 3.14Å; K1010-E1013 WeakPolarHBondContact CD-OE1 3.36Å; K1010-E1013 VanDerWaalsContact CG-OE1 3.32Å; K1010-E1013 WeakPolarHBondContact CG-OE1 3.07Å; K1010-E1013 PolarHBondContact O-N 2.93Å; K1010-E1013 VanDerWaalsContact O-N 3.12Å; K1010-Q1014 WeakPolarHBondContact O-CG 3.2Å; K1010-Q1014 PolarHBondContact O-N 3.39Å | ||
| 1011 | L | 88.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | -170.3 | -175.6 | 73.5 | 0 | 0 | 0 | 111.4 | L869 R873 L874 L1005 T1009 E1013 Q1014 L1015 | L869-L1011 HydrophobicContact CD1-CD1 3.88Å; R873-L1011 HydrophobicContact CB-CD2 3.55Å; R873-L1011 HydrophobicContact CG-CD2 4.26Å; L874-L1011 HydrophobicContact CD2-CD2 4.33Å; L1005-L1011 HydrophobicContact CD2-CD2 3.77Å; T1009-L1011 PolarHBondContact O-N 2.86Å; T1009-L1011 VanDerWaalsContact O-N 3.16Å; L1011-E1013 PolarHBondContact O-N 3.37Å; L1011-Q1014 PolarHBondContact O-N 3.13Å; L1011-L1015 HydrophobicContact CD1-CD1 4.22Å; L1011-L1015 HydrophobicContact CD1-CG 4.23Å; L1011-L1015 HydrophobicContact CD2-CD1 4.01Å; L1011-L1015 HydrophobicContact CG-CD1 3.7Å; L1011-L1015 HydrophobicContact CG-CG 4.1Å; L1011-L1015 WeakPolarHBondContact O-CB 3.17Å; L1011-L1015 VanDerWaalsContact O-CG 3.23Å; L1011-L1015 WeakPolarHBondContact O-CG 3.38Å; L1011-L1015 PolarHBondContact O-N 2.92Å |
| 1012 | W | 89.3 | Confident | 85.6 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 177.2 | 177.4 | -111.4 | 0 | 0 | 0 | 111.6 | L874 V930 L933 M946 L948 K1010 Q1014 L1015 C1016 L1019 R1056 | L874-W1012 HydrophobicContact CD1-CE3 3.85Å; L874-W1012 HydrophobicContact CD1-CZ3 3.81Å; L874-W1012 HydrophobicContact CD2-CE3 4.28Å; V930-W1012 HydrophobicContact CG2-CZ3 4.21Å; L933-W1012 HydrophobicContact CD2-CB 4.22Å; M946-W1012 HydrophobicContact CE-CD2 3.98Å; M946-W1012 VanDerWaalsContact CE-CE2 3.42Å; M946-W1012 HydrophobicContact CE-CE3 4.27Å; M946-W1012 HydrophobicContact CE-CH2 3.61Å; M946-W1012 HydrophobicContact CE-CZ2 3.22Å; M946-W1012 HydrophobicContact CE-CZ3 4.1Å; M946-W1012 HydrophobicContact SD-CZ2 4.34Å; L948-W1012 HydrophobicContact CD2-CH2 3.55Å; L948-W1012 HydrophobicContact CD2-CZ2 4.3Å; L948-W1012 HydrophobicContact CD2-CZ3 4.21Å; K1010-W1012 VanDerWaalsContact C-N 3.27Å; K1010-W1012 PolarHBondContact O-N 2.85Å; W1012-Q1014 PolarHBondContact O-N 3.48Å; W1012-L1015 PolarHBondContact O-N 3.02Å; W1012-C1016 HydrophobicContact CZ2-CB 4.28Å; W1012-C1016 VanDerWaalsContact O-CB 3.32Å; W1012-C1016 WeakPolarHBondContact O-CB 3.09Å; W1012-C1016 PolarHBondContact O-N 2.84Å; W1012-L1019 HydrophobicContact CH2-CD2 3.98Å; W1012-L1019 HydrophobicContact CZ3-CD2 4.11Å; W1012-R1056 HydrophobicContact CZ2-CB 4.33Å; W1012-R1056 WeakPolarHBondContact CZ2-OXT 3.12Å |
| 1013 | E | 87.4 | Confident | 85.6 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.6 | -18.8 | 177.3 | -49.2 | 99.5 | 107.9 | 0 | 0 | 113.6 | K1010 L1011 | K1010-E1013 WeakPolarHBondContact CA-OE2 3.33Å; K1010-E1013 HydrophobicContact CB-CB 4.41Å; K1010-E1013 WeakPolarHBondContact CB-OE1 3.14Å; K1010-E1013 WeakPolarHBondContact CD-OE1 3.36Å; K1010-E1013 VanDerWaalsContact CG-OE1 3.32Å; K1010-E1013 WeakPolarHBondContact CG-OE1 3.07Å; K1010-E1013 PolarHBondContact O-N 2.93Å; K1010-E1013 VanDerWaalsContact O-N 3.12Å; L1011-E1013 PolarHBondContact O-N 3.37Å |
| 1014 | Q | 89.3 | Confident | 85.7 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -86.4 | -29.7 | 172 | -68 | 172.6 | -7.2 | 0 | 0 | 113.2 | L869 T1009 K1010 L1011 W1012 | L869-Q1014 HydrophobicContact CD1-CB 3.58Å; T1009-Q1014 PolarHBondContact O-NE2 3.27Å; T1009-Q1014 VanDerWaalsContact O-NE2 3.1Å; K1010-Q1014 WeakPolarHBondContact O-CG 3.2Å; K1010-Q1014 PolarHBondContact O-N 3.39Å; L1011-Q1014 PolarHBondContact O-N 3.13Å; W1012-Q1014 PolarHBondContact O-N 3.48Å |
| 1015 | L | 91.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -86.3 | -43.1 | -177.9 | -70.4 | 172.8 | 0 | 0 | 0 | 112.7 | L869 P871 L874 L1011 W1012 D1018 L1019 W1029 | L869-L1015 HydrophobicContact CD1-CD2 3.57Å; L869-L1015 HydrophobicContact CD1-CG 3.98Å; L869-L1015 HydrophobicContact CG-CD2 4.2Å; P871-L1015 HydrophobicContact CB-CD1 4.22Å; P871-L1015 HydrophobicContact CB-CD2 3.97Å; L874-L1015 HydrophobicContact CD1-CD1 3.75Å; L874-L1015 HydrophobicContact CD2-CD1 4.01Å; L874-L1015 HydrophobicContact CG-CD1 3.77Å; L1011-L1015 HydrophobicContact CD1-CD1 4.22Å; L1011-L1015 HydrophobicContact CD1-CG 4.23Å; L1011-L1015 HydrophobicContact CD2-CD1 4.01Å; L1011-L1015 HydrophobicContact CG-CD1 3.7Å; L1011-L1015 HydrophobicContact CG-CG 4.1Å; L1011-L1015 WeakPolarHBondContact O-CB 3.17Å; L1011-L1015 VanDerWaalsContact O-CG 3.23Å; L1011-L1015 WeakPolarHBondContact O-CG 3.38Å; L1011-L1015 PolarHBondContact O-N 2.92Å; W1012-L1015 PolarHBondContact O-N 3.02Å; L1015-D1018 PolarHBondContact O-N 2.71Å; L1015-D1018 VanDerWaalsContact O-N 3.1Å; L1015-L1019 PolarHBondContact O-N 2.86Å; L1015-W1029 HydrophobicContact CD2-CD2 4.27Å; L1015-W1029 VanDerWaalsContact CD2-CE2 3.44Å; L1015-W1029 HydrophobicContact CD2-CH2 4.3Å; L1015-W1029 HydrophobicContact CD2-CZ2 3.48Å; L1015-W1029 VanDerWaalsContact CD2-CZ2 3.48Å; L1015-W1029 PolarHBondContact O-NE1 2.69Å; L1015-W1029 VanDerWaalsContact O-NE1 3.17Å |
| 1016 | C | 88.8 | Confident | 86.1 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -52.6 | -38.2 | -173.2 | 178.7 | 0 | 0 | 0 | 0 | 115.3 | W1012 D1018 L1019 | W1012-C1016 HydrophobicContact CZ2-CB 4.28Å; W1012-C1016 VanDerWaalsContact O-CB 3.32Å; W1012-C1016 WeakPolarHBondContact O-CB 3.09Å; W1012-C1016 PolarHBondContact O-N 2.84Å; C1016-D1018 PolarHBondContact O-N 3.36Å; C1016-D1018 VanDerWaalsContact O-N 3.17Å; C1016-L1019 PolarHBondContact O-N 2.96Å; C1016-L1019 VanDerWaalsContact O-N 3.11Å |
| 1017 | P | 88.1 | Confident | 87 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 40% | 0.403 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -61.3 | -24 | 178.3 | -25.1 | 35.8 | 0 | 0 | 0 | 115.4 | ||
| 1018 | D | 90.3 | Very high | 88.1 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -105.4 | 6 | 179.7 | -68.4 | -32 | 0 | 0 | 0 | 112.5 | L1015 C1016 W1029 R1030 | L1015-D1018 PolarHBondContact O-N 2.71Å; L1015-D1018 VanDerWaalsContact O-N 3.1Å; C1016-D1018 PolarHBondContact O-N 3.36Å; C1016-D1018 VanDerWaalsContact O-N 3.17Å; D1018-W1029 WeakPolarHBondContact O-CA 3.41Å; D1018-R1030 HydrophobicContact CB-CG 3.87Å; D1018-R1030 PolarHBondContact O-N 3.17Å; D1018-R1030 IonicContact OD2-CZ 3.47Å; D1018-R1030 IonicContact OD2-NE 2.7Å; D1018-R1030 PolarHBondContact OD2-NE 2.76Å; D1018-R1030 IonicContact OD2-NH2 2.71Å; D1018-R1030 PolarHBondContact OD2-NH2 3.24Å |
| 1019 | L | 93.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 101 | -176.6 | -171.5 | 66.6 | 0 | 0 | 0 | 110.5 | F981 W1012 L1015 C1016 I1027 W1029 V1055 | F981-L1019 HydrophobicContact CE1-CD1 3.52Å; F981-L1019 HydrophobicContact CZ-CD1 3.44Å; F981-L1019 VanDerWaalsContact CZ-CD1 3.44Å; W1012-L1019 HydrophobicContact CH2-CD2 3.98Å; W1012-L1019 HydrophobicContact CZ3-CD2 4.11Å; L1015-L1019 PolarHBondContact O-N 2.86Å; C1016-L1019 PolarHBondContact O-N 2.96Å; C1016-L1019 VanDerWaalsContact O-N 3.11Å; L1019-I1027 HydrophobicContact CD1-CG2 3.99Å; L1019-W1029 HydrophobicContact CD1-CB 3.94Å; L1019-V1055 HydrophobicContact CD2-CB 4.23Å; L1019-V1055 HydrophobicContact CD2-CG1 3.84Å; L1019-V1055 HydrophobicContact CG-CB 4.01Å; L1019-V1055 HydrophobicContact CG-CG1 4.08Å; L1019-V1055 PolarHBondContact O-N 3.37Å |
| 1020 | L | 94.3 | Very high | 90.2 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.131 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 163.7 | -164.3 | -56.2 | 175.2 | 0 | 0 | 0 | 111.4 | E1028 S1053 | L1020-E1028 PolarHBondContact N-O 3.15Å; L1020-E1028 PolarHBondContact O-N 2.77Å; L1020-S1053 CarbonylContact C-O 3.4Å; L1020-S1053 WeakPolarHBondContact CA-O 3.16Å |
| 1021 | T | 92.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 144.8 | 165.3 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | A950 Y1026 V1045 V1049 P1050 G1052 S1053 V1055 | A950-T1021 HydrophobicContact CB-CG2 4.13Å; T1021-Y1026 CarbonylContact C-O 3.55Å; T1021-Y1026 VanDerWaalsContact CA-O 3.29Å; T1021-Y1026 WeakPolarHBondContact CA-O 3.37Å; T1021-V1045 HydrophobicContact CG2-CG1 4.19Å; T1021-V1045 HydrophobicContact CG2-CG2 3.76Å; T1021-V1049 HydrophobicContact CG2-CG1 4.06Å; T1021-P1050 PolarHBondContact OG1-O 2.8Å; T1021-G1052 WeakPolarHBondContact O-CA 3.4Å; T1021-G1052 PolarHBondContact O-N 2.89Å; T1021-G1052 PolarHBondContact OG1-N 3.41Å; T1021-S1053 PolarHBondContact N-O 2.73Å; T1021-S1053 WeakPolarHBondContact OG1-CB 3.22Å; T1021-S1053 PolarHBondContact OG1-N 2.88Å; T1021-V1055 HydrophobicContact CG2-CG2 4.02Å |
| 1022 | S | 91 | Very high | 90.3 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | trans | -98.4 | 179.7 | 176 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | D1024 H1025 Y1026 E1028 P1051 | S1022-D1024 VanDerWaalsContact C-N 3.3Å; S1022-D1024 PolarHBondContact O-N 2.82Å; S1022-H1025 PolarHBondContact O-N 3.28Å; S1022-H1025 VanDerWaalsContact O-N 3.13Å; S1022-Y1026 PolarHBondContact N-O 3.46Å; S1022-Y1026 PolarHBondContact OG-N 3.42Å; S1022-Y1026 PolarHBondContact OG-O 3.36Å; S1022-E1028 WeakPolarHBondContact CB-OE1 3.36Å; S1022-E1028 VanDerWaalsContact CB-OE2 3.27Å; S1022-E1028 WeakPolarHBondContact CB-OE2 3.21Å; S1022-E1028 VanDerWaalsContact OG-CD 3.31Å; S1022-E1028 PolarHBondContact OG-OE1 3.1Å; S1022-P1051 WeakPolarHBondContact O-CB 3.43Å | ||
| 1023 | I | 87.6 | Confident | 90.4 | Very high | 113 Ų | 113 | 47.1 Ų | 47.1 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -29.6 | -174.3 | -158.5 | 169.3 | 0 | 0 | 0 | 112.9 | H1025 P1051 | I1023-H1025 PolarHBondContact O-N 3.16Å; I1023-P1051 HydrophobicContact CB-CG 4.46Å; I1023-P1051 HydrophobicContact CG1-CG 4.23Å |
| 1024 | D | 87.5 | Confident | 90.7 | Very high | 84 Ų | 84 | 42 Ų | 42 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 22.6 | 173.7 | -22.4 | -61.6 | 0 | 0 | 0 | 112 | S1022 Y1026 R1033 | S1022-D1024 VanDerWaalsContact C-N 3.3Å; S1022-D1024 PolarHBondContact O-N 2.82Å; D1024-Y1026 VanDerWaalsContact C-N 3.25Å; D1024-Y1026 HydrophobicContact CB-CD2 3.64Å; D1024-Y1026 HydrophobicContact CB-CE2 3.47Å; D1024-Y1026 VanDerWaalsContact CB-CE2 3.47Å; D1024-Y1026 WeakPolarHBondContact O-CD2 3.23Å; D1024-Y1026 PolarHBondContact O-N 2.83Å; D1024-Y1026 VanDerWaalsContact O-N 3.15Å; D1024-R1033 IonicContact OD2-CZ 3.89Å; D1024-R1033 IonicContact OD2-NH1 3.25Å; D1024-R1033 IonicContact OD2-NH2 3.15Å; D1024-R1033 PolarHBondContact OD2-NH2 3.36Å |
| 1025 | H | 89.2 | Confident | 90.8 | Very high | 41 Ų | 41 | 38.1 Ų | 38.1 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 60.7 | 16.1 | 179.7 | -57.4 | -95.9 | 0 | 0 | 0 | 116.5 | S1022 I1023 I1044 V1045 D1047 V1049 | S1022-H1025 PolarHBondContact O-N 3.28Å; S1022-H1025 VanDerWaalsContact O-N 3.13Å; I1023-H1025 PolarHBondContact O-N 3.16Å; H1025-I1044 HydrophobicContact CB-CG2 3.73Å; H1025-I1044 CarbonylContact O-C 3.42Å; H1025-I1044 WeakPolarHBondContact O-CA 3.47Å; H1025-V1045 HydrophobicContact CB-CG2 4.01Å; H1025-V1045 WeakPolarHBondContact O-CG2 3.48Å; H1025-V1045 PolarHBondContact O-N 3.04Å; H1025-D1047 PolarHBondContact CE1-O 3.11Å; H1025-D1047 VanDerWaalsContact CE1-O 3.31Å; H1025-V1049 PolarHBondContact CE1-O 3.02Å; H1025-V1049 PolarHBondContact ND1-O 3.24Å; H1025-V1049 VanDerWaalsContact ND1-O 3.13Å |
| 1026 | Y | 92.2 | Very high | 90.7 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 18% | 0.184 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -78 | 160.5 | 171.9 | -58 | -82.7 | 0 | 0 | 0 | 112.5 | T1021 S1022 D1024 R1033 W1042 I1043 I1044 | T1021-Y1026 CarbonylContact C-O 3.55Å; T1021-Y1026 VanDerWaalsContact CA-O 3.29Å; T1021-Y1026 WeakPolarHBondContact CA-O 3.37Å; S1022-Y1026 PolarHBondContact N-O 3.46Å; S1022-Y1026 PolarHBondContact OG-N 3.42Å; S1022-Y1026 PolarHBondContact OG-O 3.36Å; D1024-Y1026 VanDerWaalsContact C-N 3.25Å; D1024-Y1026 HydrophobicContact CB-CD2 3.64Å; D1024-Y1026 HydrophobicContact CB-CE2 3.47Å; D1024-Y1026 VanDerWaalsContact CB-CE2 3.47Å; D1024-Y1026 WeakPolarHBondContact O-CD2 3.23Å; D1024-Y1026 PolarHBondContact O-N 2.83Å; D1024-Y1026 VanDerWaalsContact O-N 3.15Å; Y1026-R1033 HydrophobicContact CD1-CG 4.44Å; Y1026-R1033 HydrophobicContact CG-CG 4.21Å; Y1026-W1042 HydrophobicContact CD1-CB 3.59Å; Y1026-W1042 HydrophobicContact CD1-CG 4.22Å; Y1026-W1042 HydrophobicContact CE1-CB 3.46Å; Y1026-W1042 VanDerWaalsContact CE1-CB 3.46Å; Y1026-W1042 AromaticContact CE1-CG 3.88Å; Y1026-W1042 HydrophobicContact CE1-CG 3.88Å; Y1026-I1043 WeakPolarHBondContact CA-O 3.48Å; Y1026-I1044 HydrophobicContact CD1-CD1 4.42Å; Y1026-I1044 HydrophobicContact CD1-CG1 3.67Å; Y1026-I1044 HydrophobicContact CE1-CD1 3.8Å; Y1026-I1044 HydrophobicContact CE1-CG1 3.54Å |
| 1027 | I | 93.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.5 | 169.5 | -61.2 | 172.4 | 0 | 0 | 0 | 109.5 | I965 F981 L1019 L1034 I1043 V1045 V1055 | I965-I1027 HydrophobicContact CB-CD1 4.32Å; I965-I1027 HydrophobicContact CD1-CD1 3.41Å; I965-I1027 VanDerWaalsContact CD1-CD1 3.41Å; I965-I1027 HydrophobicContact CD1-CG1 4.46Å; I965-I1027 HydrophobicContact CG1-CD1 3.92Å; I965-I1027 HydrophobicContact CG2-CD1 3.51Å; F981-I1027 HydrophobicContact CE1-CG2 4.39Å; L1019-I1027 HydrophobicContact CD1-CG2 3.99Å; I1027-L1034 HydrophobicContact CB-CB 4.04Å; I1027-L1034 HydrophobicContact CB-CD2 4.17Å; I1027-L1034 HydrophobicContact CD1-CD2 4.22Å; I1027-L1034 HydrophobicContact CG2-CB 4.17Å; I1027-L1034 HydrophobicContact CG2-CD2 3.98Å; I1027-L1034 WeakPolarHBondContact O-CB 3.24Å; I1027-L1034 PolarHBondContact O-N 2.92Å; I1027-I1043 HydrophobicContact CD1-CB 4.41Å; I1027-I1043 HydrophobicContact CD1-CG2 3.8Å; I1027-I1043 PolarHBondContact N-O 3.44Å; I1027-V1045 HydrophobicContact CD1-CG1 4.17Å; I1027-V1045 HydrophobicContact CG1-CG1 4.04Å; I1027-V1055 HydrophobicContact CG1-CG2 4.3Å; I1027-V1055 HydrophobicContact CG2-CG1 4.37Å; I1027-V1055 HydrophobicContact CG2-CG2 4.35Å |
| 1028 | E | 93.9 | Very high | 89.9 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.7 | -175.2 | -79.3 | 163.4 | -145.6 | 0 | 0 | 111.6 | L1020 S1022 L1032 R1033 | L1020-E1028 PolarHBondContact N-O 3.15Å; L1020-E1028 PolarHBondContact O-N 2.77Å; S1022-E1028 WeakPolarHBondContact CB-OE1 3.36Å; S1022-E1028 VanDerWaalsContact CB-OE2 3.27Å; S1022-E1028 WeakPolarHBondContact CB-OE2 3.21Å; S1022-E1028 VanDerWaalsContact OG-CD 3.31Å; S1022-E1028 PolarHBondContact OG-OE1 3.1Å; E1028-L1032 CarbonylContact C-O 3.6Å; E1028-L1032 VanDerWaalsContact CA-O 3.31Å; E1028-L1032 WeakPolarHBondContact CA-O 3.49Å; E1028-R1033 HydrophobicContact CG-CB 3.83Å; E1028-R1033 HydrophobicContact CG-CG 3.95Å; E1028-R1033 IonicContact OE1-CZ 2.73Å; E1028-R1033 IonicContact OE1-NE 2.63Å; E1028-R1033 PolarHBondContact OE1-NE 2.84Å; E1028-R1033 IonicContact OE1-NH2 3.98Å; E1028-R1033 PolarHBondContact OE1-NH2 3.2Å |
| 1029 | W | 92.5 | Very high | 89.2 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 108 | 168 | -175.1 | 79.6 | 0 | 0 | 0 | 108.8 | L869 P871 F981 L1015 D1018 L1019 H1031 L1032 | L869-W1029 HydrophobicContact CD1-CZ2 4.49Å; L869-W1029 HydrophobicContact CD2-CZ2 4.2Å; L869-W1029 HydrophobicContact CG-CH2 4.21Å; L869-W1029 HydrophobicContact CG-CZ2 3.94Å; L869-W1029 WeakPolarHBondContact O-CH2 3.29Å; P871-W1029 HydrophobicContact CB-CD2 4.17Å; P871-W1029 HydrophobicContact CB-CE3 4.37Å; P871-W1029 HydrophobicContact CB-CG 4.25Å; P871-W1029 HydrophobicContact CG-CB 4.47Å; P871-W1029 HydrophobicContact CG-CD2 3.87Å; P871-W1029 HydrophobicContact CG-CE3 3.58Å; P871-W1029 HydrophobicContact CG-CG 4.27Å; P871-W1029 HydrophobicContact CG-CZ3 4.07Å; F981-W1029 HydrophobicContact CD1-CB 3.84Å; F981-W1029 HydrophobicContact CE1-CB 3.79Å; F981-W1029 HydrophobicContact CG-CB 4.48Å; F981-W1029 HydrophobicContact CZ-CB 4.39Å; L1015-W1029 HydrophobicContact CD2-CD2 4.27Å; L1015-W1029 VanDerWaalsContact CD2-CE2 3.44Å; L1015-W1029 HydrophobicContact CD2-CH2 4.3Å; L1015-W1029 HydrophobicContact CD2-CZ2 3.48Å; L1015-W1029 VanDerWaalsContact CD2-CZ2 3.48Å; L1015-W1029 PolarHBondContact O-NE1 2.69Å; L1015-W1029 VanDerWaalsContact O-NE1 3.17Å; D1018-W1029 WeakPolarHBondContact O-CA 3.41Å; L1019-W1029 HydrophobicContact CD1-CB 3.94Å; W1029-H1031 PolarHBondContact O-N 3.03Å; W1029-L1032 HydrophobicContact CE3-CD1 4.02Å; W1029-L1032 HydrophobicContact CE3-CG 4.46Å; W1029-L1032 HydrophobicContact CZ3-CD1 4.28Å; W1029-L1032 PolarHBondContact N-O 2.99Å; W1029-L1032 PolarHBondContact O-N 3.05Å |
| 1030 | R | 89.2 | Confident | 88.4 | Confident | 130 Ų | 130 | 46.7 Ų | 46.7 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -93.6 | -172.6 | -56.7 | -179.5 | 175.5 | 166.5 | 1.4 | 113.3 | D1018 | D1018-R1030 HydrophobicContact CB-CG 3.87Å; D1018-R1030 PolarHBondContact O-N 3.17Å; D1018-R1030 IonicContact OD2-CZ 3.47Å; D1018-R1030 IonicContact OD2-NE 2.7Å; D1018-R1030 PolarHBondContact OD2-NE 2.76Å; D1018-R1030 IonicContact OD2-NH2 2.71Å; D1018-R1030 PolarHBondContact OD2-NH2 3.24Å |
| 1031 | H | 84.2 | Confident | 87.9 | Confident | 118 Ų | 118 | 47.4 Ų | 47.4 | 55% | 0.546 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 13.5 | -178.8 | 62.4 | -91.9 | 0 | 0 | 0 | 112.3 | F984 W1029 | F984-H1031 PolarHBondContact N-O 2.7Å; W1029-H1031 PolarHBondContact O-N 3.03Å |
| 1032 | L | 89.9 | Confident | 87.8 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.7 | 179 | -47.2 | 179.4 | 0 | 0 | 0 | 109.9 | P871 F981 H982 P983 E1028 W1029 | P871-L1032 HydrophobicContact CG-CD1 4.03Å; F981-L1032 HydrophobicContact CB-CB 3.63Å; F981-L1032 HydrophobicContact CB-CD1 4.19Å; H982-L1032 CarbonylContact O-C 3.53Å; H982-L1032 WeakPolarHBondContact O-CA 3.43Å; P983-L1032 HydrophobicContact CB-CD2 3.98Å; E1028-L1032 CarbonylContact C-O 3.6Å; E1028-L1032 VanDerWaalsContact CA-O 3.31Å; E1028-L1032 WeakPolarHBondContact CA-O 3.49Å; W1029-L1032 HydrophobicContact CE3-CD1 4.02Å; W1029-L1032 HydrophobicContact CE3-CG 4.46Å; W1029-L1032 HydrophobicContact CZ3-CD1 4.28Å; W1029-L1032 PolarHBondContact N-O 2.99Å; W1029-L1032 PolarHBondContact O-N 3.05Å |
| 1033 | R | 92.6 | Very high | 87.7 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137.3 | -177.1 | -175.4 | 176.4 | -81.2 | -172.5 | -14.8 | 111.2 | F981 H982 F984 D1024 Y1026 E1028 G1035 W1042 | F981-R1033 CarbonylContact C-O 3.53Å; F981-R1033 WeakPolarHBondContact CA-O 3.47Å; H982-R1033 PolarHBondContact N-O 3.38Å; H982-R1033 PolarHBondContact O-N 3.34Å; F984-R1033 VanDerWaalsContact CE2-CZ 3.41Å; F984-R1033 VanDerWaalsContact CZ-CZ 3.45Å; D1024-R1033 IonicContact OD2-CZ 3.89Å; D1024-R1033 IonicContact OD2-NH1 3.25Å; D1024-R1033 IonicContact OD2-NH2 3.15Å; D1024-R1033 PolarHBondContact OD2-NH2 3.36Å; Y1026-R1033 HydrophobicContact CD1-CG 4.44Å; Y1026-R1033 HydrophobicContact CG-CG 4.21Å; E1028-R1033 HydrophobicContact CG-CB 3.83Å; E1028-R1033 HydrophobicContact CG-CG 3.95Å; E1028-R1033 IonicContact OE1-CZ 2.73Å; E1028-R1033 IonicContact OE1-NE 2.63Å; E1028-R1033 PolarHBondContact OE1-NE 2.84Å; E1028-R1033 IonicContact OE1-NH2 3.98Å; E1028-R1033 PolarHBondContact OE1-NH2 3.2Å; R1033-G1035 PolarHBondContact O-N 2.71Å; R1033-W1042 HydrophobicContact CB-CE3 4.16Å; R1033-W1042 HydrophobicContact CB-CZ3 3.86Å; R1033-W1042 HydrophobicContact CG-CD2 4.35Å; R1033-W1042 HydrophobicContact CG-CE3 3.64Å; R1033-W1042 HydrophobicContact CG-CZ3 3.88Å; R1033-W1042 WeakPolarHBondContact O-CZ3 3.07Å |
| 1034 | L | 94 | Very high | 87.7 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 113.7 | -177.7 | -175.7 | 60.7 | 0 | 0 | 0 | 111.3 | I876 F979 F981 I1027 I1043 | I876-L1034 HydrophobicContact CD1-CD1 4.04Å; I876-L1034 HydrophobicContact CD1-CD2 4.45Å; I876-L1034 HydrophobicContact CG2-CD1 4.45Å; I876-L1034 HydrophobicContact CG2-CD2 4.29Å; F979-L1034 HydrophobicContact CB-CD1 3.78Å; F979-L1034 HydrophobicContact CB-CG 4.26Å; F981-L1034 HydrophobicContact CD1-CB 3.97Å; F981-L1034 HydrophobicContact CD1-CD1 4.41Å; F981-L1034 HydrophobicContact CD2-CD1 4.1Å; F981-L1034 HydrophobicContact CE1-CB 3.75Å; F981-L1034 HydrophobicContact CE1-CD1 4.22Å; F981-L1034 HydrophobicContact CE1-CG 4.4Å; F981-L1034 HydrophobicContact CE2-CD1 3.91Å; F981-L1034 HydrophobicContact CG-CD1 4.35Å; F981-L1034 HydrophobicContact CZ-CB 4.26Å; F981-L1034 HydrophobicContact CZ-CD1 3.95Å; F981-L1034 HydrophobicContact CZ-CD2 4.37Å; F981-L1034 HydrophobicContact CZ-CG 4.42Å; I1027-L1034 HydrophobicContact CB-CB 4.04Å; I1027-L1034 HydrophobicContact CB-CD2 4.17Å; I1027-L1034 HydrophobicContact CD1-CD2 4.22Å; I1027-L1034 HydrophobicContact CG2-CB 4.17Å; I1027-L1034 HydrophobicContact CG2-CD2 3.98Å; I1027-L1034 WeakPolarHBondContact O-CB 3.24Å; I1027-L1034 PolarHBondContact O-N 2.92Å; L1034-I1043 HydrophobicContact CD2-CB 4.43Å; L1034-I1043 HydrophobicContact CD2-CD1 3.92Å; L1034-I1043 HydrophobicContact CD2-CG1 4.35Å; L1034-I1043 HydrophobicContact CG-CD1 4.19Å; L1034-I1043 HydrophobicContact CG-CG1 4.27Å; L1034-I1043 PolarHBondContact O-N 2.81Å |
| 1035 | G | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 165.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F979 I980 R1033 K1041 | F979-G1035 CarbonylContact C-O 3.5Å; F979-G1035 VanDerWaalsContact CA-O 3.26Å; F979-G1035 WeakPolarHBondContact CA-O 3.44Å; I980-G1035 PolarHBondContact N-O 2.92Å; I980-G1035 PolarHBondContact O-N 2.69Å; R1033-G1035 PolarHBondContact O-N 2.71Å; G1035-K1041 CarbonylContact C-O 3.59Å; G1035-K1041 WeakPolarHBondContact CA-O 3.45Å |
| 1036 | S | 88.9 | Confident | 87.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 156.6 | 168.6 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | F979 H982 C1038 G1039 N1040 K1041 | F979-S1036 VanDerWaalsContact CE1-N 3.32Å; H982-S1036 PolarHBondContact NE2-O 3.02Å; S1036-C1038 PolarHBondContact O-N 3.43Å; S1036-G1039 PolarHBondContact O-N 2.65Å; S1036-N1040 PolarHBondContact OG-OD1 3.26Å; S1036-K1041 WeakPolarHBondContact CB-O 3.33Å; S1036-K1041 PolarHBondContact N-O 3.08Å; S1036-K1041 WeakPolarHBondContact OG-CB 3.16Å; S1036-K1041 PolarHBondContact OG-N 3.15Å; S1036-K1041 VanDerWaalsContact OG-N 3.12Å; S1036-K1041 PolarHBondContact OG-O 2.88Å |
| 1037 | I | 83.7 | Confident | 87.1 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | -37.3 | 175.8 | -87.5 | 175.3 | 0 | 0 | 0 | 114 | R978 F998 | R978-I1037 HydrophobicContact CB-CD1 4.01Å; R978-I1037 HydrophobicContact CG-CD1 4.27Å; R978-I1037 PolarHBondContact O-N 2.95Å; F998-I1037 HydrophobicContact CE2-CB 4.3Å; F998-I1037 HydrophobicContact CE2-CG1 4.24Å; F998-I1037 HydrophobicContact CE2-CG2 3.84Å; F998-I1037 HydrophobicContact CZ-CB 4.06Å; F998-I1037 HydrophobicContact CZ-CD1 4.01Å; F998-I1037 HydrophobicContact CZ-CG1 3.65Å; F998-I1037 HydrophobicContact CZ-CG2 3.62Å |
| 1038 | C | 76.7 | Confident | 86.7 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 67% | 0.669 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.6 | -176.6 | -56.4 | 0 | 0 | 0 | 0 | 114.8 | S1036 N1040 | S1036-C1038 PolarHBondContact O-N 3.43Å; C1038-N1040 WeakPolarHBondContact CB-OD1 3.37Å; C1038-N1040 PolarHBondContact O-N 3.47Å |
| 1039 | G | 74.9 | Confident | 86.5 | Confident | 22 Ų | 22 | 52 Ų | 52 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 70 | 4.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1036 W1042 | S1036-G1039 PolarHBondContact O-N 2.65Å; G1039-W1042 VanDerWaalsContact O-CZ2 3.22Å; G1039-W1042 WeakPolarHBondContact O-CZ2 3.5Å |
| 1040 | N | 77.9 | Confident | 86.4 | Confident | 130 Ų | 130 | 54 Ų | 54 | 70% | 0.695 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -96.8 | -13.8 | -173.9 | 67.5 | -20 | 0 | 0 | 0 | 114.5 | S1036 C1038 | S1036-N1040 PolarHBondContact OG-OD1 3.26Å; C1038-N1040 WeakPolarHBondContact CB-OD1 3.37Å; C1038-N1040 PolarHBondContact O-N 3.47Å |
| 1041 | K | 84 | Confident | 86.4 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -129.4 | 123.7 | 176.2 | 171.4 | -174.6 | -179.8 | -174.9 | 0 | 108 | Q971 N972 E977 F979 G1035 S1036 | Q971-K1041 WeakPolarHBondContact O-CE 3.35Å; Q971-K1041 PolarHBondContact O-NZ 3.23Å; N972-K1041 PolarHBondContact O-NZ 2.9Å; E977-K1041 IonicContact OE1-NZ 3.02Å; E977-K1041 PolarHBondContact OE1-NZ 2.89Å; E977-K1041 IonicContact OE2-NZ 3.77Å; E977-K1041 PolarHBondContact OE2-NZ 2.96Å; F979-K1041 HydrophobicContact CE1-CG 4.48Å; F979-K1041 HydrophobicContact CZ-CD 4.25Å; F979-K1041 HydrophobicContact CZ-CG 4.47Å; G1035-K1041 CarbonylContact C-O 3.59Å; G1035-K1041 WeakPolarHBondContact CA-O 3.45Å; S1036-K1041 WeakPolarHBondContact CB-O 3.33Å; S1036-K1041 PolarHBondContact N-O 3.08Å; S1036-K1041 WeakPolarHBondContact OG-CB 3.16Å; S1036-K1041 PolarHBondContact OG-N 3.15Å; S1036-K1041 VanDerWaalsContact OG-N 3.12Å; S1036-K1041 PolarHBondContact OG-O 2.88Å |
| 1042 | W | 89 | Confident | 86.7 | Confident | 72 Ų | 72 | 45.2 Ų | 45.2 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -108 | 158.4 | -177.1 | -58.7 | 105.4 | 0 | 0 | 0 | 111.3 | H982 Y1026 R1033 G1039 | H982-W1042 HydrophobicContact CB-CH2 3.86Å; H982-W1042 HydrophobicContact CB-CZ3 3.99Å; H982-W1042 AromaticContact CD2-CZ3 3.76Å; Y1026-W1042 HydrophobicContact CD1-CB 3.59Å; Y1026-W1042 HydrophobicContact CD1-CG 4.22Å; Y1026-W1042 HydrophobicContact CE1-CB 3.46Å; Y1026-W1042 VanDerWaalsContact CE1-CB 3.46Å; Y1026-W1042 AromaticContact CE1-CG 3.88Å; Y1026-W1042 HydrophobicContact CE1-CG 3.88Å; R1033-W1042 HydrophobicContact CB-CE3 4.16Å; R1033-W1042 HydrophobicContact CB-CZ3 3.86Å; R1033-W1042 HydrophobicContact CG-CD2 4.35Å; R1033-W1042 HydrophobicContact CG-CE3 3.64Å; R1033-W1042 HydrophobicContact CG-CZ3 3.88Å; R1033-W1042 WeakPolarHBondContact O-CZ3 3.07Å; G1039-W1042 VanDerWaalsContact O-CZ2 3.22Å; G1039-W1042 WeakPolarHBondContact O-CZ2 3.5Å |
| 1043 | I | 88.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | trans | -92.7 | 123 | 169.4 | -52.2 | -162.2 | 0 | 0 | 0 | 109.7 | I878 V928 I965 F979 Y1026 I1027 L1034 | I878-I1043 HydrophobicContact CD1-CD1 4.3Å; V928-I1043 HydrophobicContact CG1-CD1 3.97Å; V928-I1043 HydrophobicContact CG2-CD1 3.67Å; V928-I1043 HydrophobicContact CG2-CG2 4.33Å; I965-I1043 HydrophobicContact CG2-CG2 3.58Å; F979-I1043 HydrophobicContact CB-CD1 4.25Å; F979-I1043 HydrophobicContact CD1-CD1 3.48Å; F979-I1043 VanDerWaalsContact CD1-CD1 3.48Å; F979-I1043 HydrophobicContact CD1-CG1 3.33Å; F979-I1043 HydrophobicContact CD2-CD1 4.29Å; F979-I1043 HydrophobicContact CE1-CD1 3.86Å; F979-I1043 HydrophobicContact CE1-CG1 3.45Å; F979-I1043 VanDerWaalsContact CE1-CG1 3.45Å; F979-I1043 HydrophobicContact CG-CD1 3.75Å; F979-I1043 HydrophobicContact CG-CG1 4.14Å; F979-I1043 HydrophobicContact CZ-CD1 4.42Å; F979-I1043 HydrophobicContact CZ-CG1 4.33Å; Y1026-I1043 WeakPolarHBondContact CA-O 3.48Å; I1027-I1043 HydrophobicContact CD1-CB 4.41Å; I1027-I1043 HydrophobicContact CD1-CG2 3.8Å; I1027-I1043 PolarHBondContact N-O 3.44Å; L1034-I1043 HydrophobicContact CD2-CB 4.43Å; L1034-I1043 HydrophobicContact CD2-CD1 3.92Å; L1034-I1043 HydrophobicContact CD2-CG1 4.35Å; L1034-I1043 HydrophobicContact CG-CD1 4.19Å; L1034-I1043 HydrophobicContact CG-CG1 4.27Å; L1034-I1043 PolarHBondContact O-N 2.81Å | ||
| 1044 | I | 87.6 | Confident | 86.8 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -116.8 | 136.6 | 178.5 | -49.3 | 177.5 | 0 | 0 | 0 | 106.7 | H1025 Y1026 | H1025-I1044 HydrophobicContact CB-CG2 3.73Å; H1025-I1044 CarbonylContact O-C 3.42Å; H1025-I1044 WeakPolarHBondContact O-CA 3.47Å; Y1026-I1044 HydrophobicContact CD1-CD1 4.42Å; Y1026-I1044 HydrophobicContact CD1-CG1 3.67Å; Y1026-I1044 HydrophobicContact CE1-CD1 3.8Å; Y1026-I1044 HydrophobicContact CE1-CG1 3.54Å |
| 1045 | V | 88.5 | Confident | 86.7 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | trans | -88.3 | 167 | 173.1 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | A950 I965 T1021 H1025 I1027 V1049 | A950-V1045 HydrophobicContact CB-CG1 4.34Å; I965-V1045 HydrophobicContact CG1-CG1 4Å; I965-V1045 HydrophobicContact CG2-CG1 4.47Å; T1021-V1045 HydrophobicContact CG2-CG1 4.19Å; T1021-V1045 HydrophobicContact CG2-CG2 3.76Å; H1025-V1045 HydrophobicContact CB-CG2 4.01Å; H1025-V1045 WeakPolarHBondContact O-CG2 3.48Å; H1025-V1045 PolarHBondContact O-N 3.04Å; I1027-V1045 HydrophobicContact CD1-CG1 4.17Å; I1027-V1045 HydrophobicContact CG1-CG1 4.04Å; V1045-V1049 HydrophobicContact CB-CB 4.23Å; V1045-V1049 HydrophobicContact CB-CG1 4.44Å; V1045-V1049 HydrophobicContact CB-CG2 4.23Å; V1045-V1049 HydrophobicContact CG2-CB 3.74Å; V1045-V1049 HydrophobicContact CG2-CG1 3.86Å; V1045-V1049 HydrophobicContact CG2-CG2 4.29Å | ||
| 1046 | S | 85.6 | Confident | 86.7 | Confident | 38 Ų | 38 | 52 Ų | 52 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | trans | -56.3 | 144.9 | 175.4 | -149 | 0 | 0 | 0 | 0 | 111.5 | D1048 V1049 | S1046-D1048 WeakPolarHBondContact CB-OD2 3.42Å; S1046-D1048 PolarHBondContact O-N 3.19Å; S1046-D1048 VanDerWaalsContact O-N 3.09Å; S1046-D1048 PolarHBondContact OG-OD2 2.98Å; S1046-V1049 VanDerWaalsContact O-CB 3.28Å; S1046-V1049 WeakPolarHBondContact O-CB 3.45Å; S1046-V1049 WeakPolarHBondContact O-CG2 3.5Å; S1046-V1049 PolarHBondContact O-N 3.06Å | ||
| 1047 | D | 83.7 | Confident | 86.6 | Confident | 133 Ų | 133 | 54.4 Ų | 54.4 | 71% | 0.711 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.5 | 177.8 | -52 | -22 | 0 | 0 | 0 | 111.9 | H1025 V1049 | H1025-D1047 PolarHBondContact CE1-O 3.11Å; H1025-D1047 VanDerWaalsContact CE1-O 3.31Å; D1047-V1049 PolarHBondContact O-N 3.11Å |
| 1048 | D | 85 | Confident | 86.8 | Confident | 111 Ų | 111 | 53.4 Ų | 53.4 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -16.4 | 173.6 | -42.6 | -88.2 | 0 | 0 | 0 | 114.3 | Y952 S1046 P1050 | Y952-D1048 PolarHBondContact OH-O 3.21Å; S1046-D1048 WeakPolarHBondContact CB-OD2 3.42Å; S1046-D1048 PolarHBondContact O-N 3.19Å; S1046-D1048 VanDerWaalsContact O-N 3.09Å; S1046-D1048 PolarHBondContact OG-OD2 2.98Å; D1048-P1050 WeakPolarHBondContact O-CD 3.39Å |
| 1049 | V | 89.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -91.9 | 111.1 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | A950 Y952 Q963 T1021 H1025 V1045 S1046 D1047 S1053 | A950-V1049 HydrophobicContact CB-CG1 3.58Å; A950-V1049 HydrophobicContact CB-CG2 4.49Å; Y952-V1049 HydrophobicContact CD1-CG1 4.25Å; Y952-V1049 HydrophobicContact CE1-CB 4.38Å; Y952-V1049 HydrophobicContact CE1-CG1 4.22Å; Y952-V1049 HydrophobicContact CE1-CG2 4.14Å; Q963-V1049 HydrophobicContact CB-CG2 3.6Å; Q963-V1049 HydrophobicContact CG-CG2 3.6Å; T1021-V1049 HydrophobicContact CG2-CG1 4.06Å; H1025-V1049 PolarHBondContact CE1-O 3.02Å; H1025-V1049 PolarHBondContact ND1-O 3.24Å; H1025-V1049 VanDerWaalsContact ND1-O 3.13Å; V1045-V1049 HydrophobicContact CB-CB 4.23Å; V1045-V1049 HydrophobicContact CB-CG1 4.44Å; V1045-V1049 HydrophobicContact CB-CG2 4.23Å; V1045-V1049 HydrophobicContact CG2-CB 3.74Å; V1045-V1049 HydrophobicContact CG2-CG1 3.86Å; V1045-V1049 HydrophobicContact CG2-CG2 4.29Å; S1046-V1049 VanDerWaalsContact O-CB 3.28Å; S1046-V1049 WeakPolarHBondContact O-CB 3.45Å; S1046-V1049 WeakPolarHBondContact O-CG2 3.5Å; S1046-V1049 PolarHBondContact O-N 3.06Å; D1047-V1049 PolarHBondContact O-N 3.11Å; V1049-S1053 WeakPolarHBondContact CG1-OG 3.5Å |
| 1050 | P | 89.4 | Confident | 88.1 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | trans | -66.1 | 151.2 | -177.4 | 26.8 | -33.5 | 0 | 0 | 0 | 111.6 | Y952 T1021 D1048 S1053 | Y952-P1050 HydrophobicContact CD1-CG 4.46Å; Y952-P1050 HydrophobicContact CD2-CG 3.51Å; Y952-P1050 VanDerWaalsContact CE2-CD 3.42Å; Y952-P1050 HydrophobicContact CE2-CG 4.05Å; Y952-P1050 HydrophobicContact CG-CG 3.73Å; T1021-P1050 PolarHBondContact OG1-O 2.8Å; D1048-P1050 WeakPolarHBondContact O-CD 3.39Å; P1050-S1053 WeakPolarHBondContact O-CB 3.37Å; P1050-S1053 PolarHBondContact O-N 3.12Å; P1050-S1053 PolarHBondContact O-OG 3.27Å | ||
| 1051 | P | 90.1 | Very high | 88.7 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 146.1 | 168.9 | -27.2 | 37 | 0 | 0 | 0 | 112.2 | S1022 I1023 S1053 | S1022-P1051 WeakPolarHBondContact O-CB 3.43Å; I1023-P1051 HydrophobicContact CB-CG 4.46Å; I1023-P1051 HydrophobicContact CG1-CG 4.23Å; P1051-S1053 VanDerWaalsContact C-N 3.29Å; P1051-S1053 PolarHBondContact O-N 3.18Å |
| 1052 | G | 89.8 | Confident | 89 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 4.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1021 T1054 | T1021-G1052 WeakPolarHBondContact O-CA 3.4Å; T1021-G1052 PolarHBondContact O-N 2.89Å; T1021-G1052 PolarHBondContact OG1-N 3.41Å; G1052-T1054 PolarHBondContact O-N 3.45Å |
| 1053 | S | 92.1 | Very high | 89 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 135.1 | 172.2 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | Y952 L1020 T1021 V1049 P1050 P1051 V1055 | Y952-S1053 WeakPolarHBondContact CB-OG 3.45Å; L1020-S1053 CarbonylContact C-O 3.4Å; L1020-S1053 WeakPolarHBondContact CA-O 3.16Å; T1021-S1053 PolarHBondContact N-O 2.73Å; T1021-S1053 WeakPolarHBondContact OG1-CB 3.22Å; T1021-S1053 PolarHBondContact OG1-N 2.88Å; V1049-S1053 WeakPolarHBondContact CG1-OG 3.5Å; P1050-S1053 WeakPolarHBondContact O-CB 3.37Å; P1050-S1053 PolarHBondContact O-N 3.12Å; P1050-S1053 PolarHBondContact O-OG 3.27Å; P1051-S1053 VanDerWaalsContact C-N 3.29Å; P1051-S1053 PolarHBondContact O-N 3.18Å; S1053-V1055 PolarHBondContact O-N 2.67Å |
| 1054 | T | 92.7 | Very high | 89.1 | Confident | 55 Ų | 55 | 50.1 Ų | 50.1 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.6 | 178.5 | -50.7 | 0 | 0 | 0 | 0 | 110.3 | S951 G1052 | S951-T1054 PolarHBondContact N-O 3.41Å; S951-T1054 PolarHBondContact O-N 3.17Å; S951-T1054 PolarHBondContact OG-O 2.8Å; G1052-T1054 PolarHBondContact O-N 3.45Å |
| 1055 | V | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.1 | 175.5 | 169.6 | 0 | 0 | 0 | 0 | 109.3 | C949 A950 I965 L1019 T1021 I1027 S1053 | C949-V1055 WeakPolarHBondContact O-CA 3.43Å; A950-V1055 HydrophobicContact CB-CG2 4.12Å; I965-V1055 HydrophobicContact CD1-CB 4.34Å; I965-V1055 HydrophobicContact CD1-CG1 3.45Å; I965-V1055 VanDerWaalsContact CD1-CG1 3.45Å; I965-V1055 HydrophobicContact CD1-CG2 4.03Å; L1019-V1055 HydrophobicContact CD2-CB 4.23Å; L1019-V1055 HydrophobicContact CD2-CG1 3.84Å; L1019-V1055 HydrophobicContact CG-CB 4.01Å; L1019-V1055 HydrophobicContact CG-CG1 4.08Å; L1019-V1055 PolarHBondContact O-N 3.37Å; T1021-V1055 HydrophobicContact CG2-CG2 4.02Å; I1027-V1055 HydrophobicContact CG1-CG2 4.3Å; I1027-V1055 HydrophobicContact CG2-CG1 4.37Å; I1027-V1055 HydrophobicContact CG2-CG2 4.35Å; S1053-V1055 PolarHBondContact O-N 2.67Å |
| 1056 | R | 90.6 | Very high | 89.3 | Confident | 123 Ų | 123 | 52.7 Ų | 52.7 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | trans | -154.7 | 0 | -175.2 | 57.2 | 173.4 | 160.3 | 161.4 | -5.8 | 113.3 | L948 C949 S951 W1012 | L948-R1056 CarbonylContact C-O 3.44Å; L948-R1056 WeakPolarHBondContact CA-O 3.28Å; C949-R1056 PolarHBondContact N-O 2.87Å; C949-R1056 PolarHBondContact O-N 2.84Å; S951-R1056 PolarHBondContact OG-NE 2.93Å; S951-R1056 PolarHBondContact OG-NH2 3.08Å; W1012-R1056 HydrophobicContact CZ2-CB 4.33Å; W1012-R1056 WeakPolarHBondContact CZ2-OXT 3.12Å |
Retrieved 1,056 of 1,056 residues in 997.6 ms
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