| 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 | 56.7 | Low | 77.4 | Confident | 115 Ų | 115 | 72.9 Ų | 72.9 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | 0 | 124.6 | 0 | -166.2 | -176.5 | -179.9 | 0 | 0 | 105.8 | F6 K58 | M1-F6 HydrophobicContact CE-CB 3.86Å; M1-F6 HydrophobicContact CE-CD2 4.13Å; M1-F6 HydrophobicContact CE-CG 4.5Å; M1-F6 HydrophobicContact SD-CB 4.09Å; M1-F6 HydrophobicContact SD-CD2 4.04Å; M1-K58 WeakPolarHBondContact CE-O 3.39Å; M1-K58 HydrophobicContact SD-CB 4.37Å | |||
| 2 | S | 66.1 | Low | 78.4 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | trans | -66.5 | 144.9 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | F4 S5 F6 | S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 VanDerWaalsContact O-N 3.13Å; S2-S5 PolarHBondContact O-N 2.94Å; S2-S5 VanDerWaalsContact O-N 3.11Å; S2-S5 PolarHBondContact OG-OG 3.27Å; S2-F6 PolarHBondContact O-N 2.87Å | ||
| 3 | P | 72.2 | Confident | 79.2 | Confident | 111 Ų | 111 | 61.8 Ų | 61.8 | 72% | 0.721 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57 | -30.1 | 179.4 | 22.1 | -33 | 0 | 0 | 0 | 111.9 | F6 L7 | P3-F6 PolarHBondContact O-N 3.26Å; P3-L7 WeakPolarHBondContact O-CB 3.13Å; P3-L7 PolarHBondContact O-N 3.17Å |
| 4 | F | 76.3 | Confident | 80.1 | Confident | 152 Ų | 152 | 61.4 Ų | 61.4 | 67% | 0.667 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.4 | -47 | 175.2 | -176.6 | -98.6 | 0 | 0 | 0 | 113.4 | S2 F6 L7 S8 | S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 VanDerWaalsContact O-N 3.13Å; F4-F6 VanDerWaalsContact C-N 3.26Å; F4-F6 PolarHBondContact O-N 2.95Å; F4-L7 PolarHBondContact O-N 3.41Å; F4-S8 WeakPolarHBondContact O-CB 3.29Å; F4-S8 PolarHBondContact O-N 2.96Å |
| 5 | S | 74.9 | Confident | 80.9 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -28.6 | 178.8 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | S2 S8 A9 | S2-S5 PolarHBondContact O-N 2.94Å; S2-S5 VanDerWaalsContact O-N 3.11Å; S2-S5 PolarHBondContact OG-OG 3.27Å; S5-S8 PolarHBondContact O-OG 3.17Å; S5-A9 WeakPolarHBondContact O-CB 3.25Å; S5-A9 PolarHBondContact O-N 3.29Å |
| 6 | F | 79.6 | Confident | 81.7 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 40% | 0.395 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.8 | -45.7 | 175.1 | -178.6 | -96 | 0 | 0 | 0 | 111 | M1 S2 P3 F4 S8 A9 I10 L54 | M1-F6 HydrophobicContact CE-CB 3.86Å; M1-F6 HydrophobicContact CE-CD2 4.13Å; M1-F6 HydrophobicContact CE-CG 4.5Å; M1-F6 HydrophobicContact SD-CB 4.09Å; M1-F6 HydrophobicContact SD-CD2 4.04Å; S2-F6 PolarHBondContact O-N 2.87Å; P3-F6 PolarHBondContact O-N 3.26Å; F4-F6 VanDerWaalsContact C-N 3.26Å; F4-F6 PolarHBondContact O-N 2.95Å; F6-S8 PolarHBondContact O-N 3.4Å; F6-A9 PolarHBondContact O-N 3.41Å; F6-I10 HydrophobicContact CD1-CD1 3.74Å; F6-I10 HydrophobicContact CE1-CD1 3.25Å; F6-I10 HydrophobicContact CE1-CG1 4.47Å; F6-I10 HydrophobicContact CE2-CD1 4.43Å; F6-I10 HydrophobicContact CG-CD1 4.5Å; F6-I10 HydrophobicContact CZ-CD1 3.66Å; F6-I10 WeakPolarHBondContact O-CG1 3.39Å; F6-I10 PolarHBondContact O-N 3.09Å; F6-L54 HydrophobicContact CD2-CD2 4.01Å; F6-L54 HydrophobicContact CE2-CD2 3.63Å; F6-L54 HydrophobicContact CZ-CD2 4.41Å |
| 7 | L | 84.1 | Confident | 82.4 | Confident | 99 Ų | 99 | 56.5 Ų | 56.5 | 52% | 0.518 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.2 | -174.5 | 64.3 | 0 | 0 | 0 | 111.6 | P3 F4 A9 I10 I11 | P3-L7 WeakPolarHBondContact O-CB 3.13Å; P3-L7 PolarHBondContact O-N 3.17Å; F4-L7 PolarHBondContact O-N 3.41Å; L7-A9 PolarHBondContact O-N 3.27Å; L7-I10 PolarHBondContact O-N 3.46Å; L7-I11 HydrophobicContact CD1-CD1 4.15Å; L7-I11 HydrophobicContact CD1-CG1 4.39Å; L7-I11 HydrophobicContact CD2-CD1 4.33Å; L7-I11 HydrophobicContact CG-CD1 3.75Å; L7-I11 HydrophobicContact CG-CG1 4.38Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.31Å; L7-I11 PolarHBondContact O-N 3.44Å |
| 8 | S | 82.9 | Confident | 83 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 178.3 | 92.2 | 0 | 0 | 0 | 0 | 111.9 | F4 S5 F6 I10 I11 T12 L160 | F4-S8 WeakPolarHBondContact O-CB 3.29Å; F4-S8 PolarHBondContact O-N 2.96Å; S5-S8 PolarHBondContact O-OG 3.17Å; F6-S8 PolarHBondContact O-N 3.4Å; S8-I10 VanDerWaalsContact C-N 3.3Å; S8-I10 PolarHBondContact O-N 3.4Å; S8-I11 PolarHBondContact O-N 2.94Å; S8-T12 PolarHBondContact O-N 3.02Å; S8-T12 PolarHBondContact O-OG1 2.79Å; S8-T12 VanDerWaalsContact O-OG1 3.05Å; S8-L160 VanDerWaalsContact CB-O 3.32Å; S8-L160 WeakPolarHBondContact CB-O 3.18Å; S8-L160 PolarHBondContact OG-O 3.37Å |
| 9 | A | 81.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -34.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S5 F6 L7 R13 P162 | S5-A9 WeakPolarHBondContact O-CB 3.25Å; S5-A9 PolarHBondContact O-N 3.29Å; F6-A9 PolarHBondContact O-N 3.41Å; L7-A9 PolarHBondContact O-N 3.27Å; A9-R13 WeakPolarHBondContact O-CG 3.14Å; A9-R13 PolarHBondContact O-NH1 2.86Å; A9-P162 HydrophobicContact CB-CG 4.15Å |
| 10 | I | 86.3 | Confident | 84 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74.4 | -47.1 | 175.3 | -68.3 | 171.9 | 0 | 0 | 0 | 110.4 | F6 L7 S8 T12 R13 A14 | F6-I10 HydrophobicContact CD1-CD1 3.74Å; F6-I10 HydrophobicContact CE1-CD1 3.25Å; F6-I10 HydrophobicContact CE1-CG1 4.47Å; F6-I10 HydrophobicContact CE2-CD1 4.43Å; F6-I10 HydrophobicContact CG-CD1 4.5Å; F6-I10 HydrophobicContact CZ-CD1 3.66Å; F6-I10 WeakPolarHBondContact O-CG1 3.39Å; F6-I10 PolarHBondContact O-N 3.09Å; L7-I10 PolarHBondContact O-N 3.46Å; S8-I10 VanDerWaalsContact C-N 3.3Å; S8-I10 PolarHBondContact O-N 3.4Å; I10-T12 PolarHBondContact O-N 2.95Å; I10-R13 PolarHBondContact O-N 3.4Å; I10-A14 WeakPolarHBondContact O-CB 3.31Å; I10-A14 PolarHBondContact O-N 2.68Å |
| 11 | I | 90.1 | Very high | 84.5 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | -179.8 | -70.5 | 170.3 | 0 | 0 | 0 | 110.7 | L7 S8 R13 A14 L15 L160 | L7-I11 HydrophobicContact CD1-CD1 4.15Å; L7-I11 HydrophobicContact CD1-CG1 4.39Å; L7-I11 HydrophobicContact CD2-CD1 4.33Å; L7-I11 HydrophobicContact CG-CD1 3.75Å; L7-I11 HydrophobicContact CG-CG1 4.38Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.31Å; L7-I11 PolarHBondContact O-N 3.44Å; S8-I11 PolarHBondContact O-N 2.94Å; I11-R13 VanDerWaalsContact C-N 3.31Å; I11-R13 PolarHBondContact O-N 2.85Å; I11-A14 PolarHBondContact O-N 3.1Å; I11-L15 HydrophobicContact CG2-CD1 3.91Å; I11-L15 HydrophobicContact CG2-CG 4.27Å; I11-L15 WeakPolarHBondContact O-CG 3.28Å; I11-L15 PolarHBondContact O-N 3.01Å; I11-L160 HydrophobicContact CB-CD2 4.14Å; I11-L160 HydrophobicContact CG2-CD2 3.77Å |
| 12 | T | 89.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -46.2 | 178.4 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | S8 I10 L15 F16 L160 L161 | S8-T12 PolarHBondContact O-N 3.02Å; S8-T12 PolarHBondContact O-OG1 2.79Å; S8-T12 VanDerWaalsContact O-OG1 3.05Å; I10-T12 PolarHBondContact O-N 2.95Å; T12-L15 PolarHBondContact O-N 3.32Å; T12-F16 HydrophobicContact CG2-CD2 4.16Å; T12-F16 HydrophobicContact CG2-CE1 4.14Å; T12-F16 HydrophobicContact CG2-CE2 3.67Å; T12-F16 HydrophobicContact CG2-CZ 3.66Å; T12-F16 WeakPolarHBondContact O-CG 3.41Å; T12-F16 PolarHBondContact O-N 3.19Å; T12-L160 WeakPolarHBondContact OG1-CB 3.5Å; T12-L160 VanDerWaalsContact OG1-CD2 3.28Å; T12-L160 WeakPolarHBondContact OG1-CD2 3.44Å; T12-L160 WeakPolarHBondContact OG1-CG 3.45Å; T12-L161 HydrophobicContact CG2-CD1 4.43Å; T12-L161 HydrophobicContact CG2-CD2 4.34Å; T12-L161 HydrophobicContact CG2-CG 4.08Å |
| 13 | R | 89.4 | Confident | 87.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.6 | -39.4 | -178.5 | -71.3 | 175.1 | 173 | 80.5 | -0.7 | 111.7 | A9 I10 I11 L15 F16 I17 E49 M50 T68 | A9-R13 WeakPolarHBondContact O-CG 3.14Å; A9-R13 PolarHBondContact O-NH1 2.86Å; I10-R13 PolarHBondContact O-N 3.4Å; I11-R13 VanDerWaalsContact C-N 3.31Å; I11-R13 PolarHBondContact O-N 2.85Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 2.73Å; R13-F16 PolarHBondContact O-N 3.4Å; R13-I17 VanDerWaalsContact O-CG1 3.29Å; R13-I17 WeakPolarHBondContact O-CG1 3.39Å; R13-I17 PolarHBondContact O-N 2.98Å; R13-E49 IonicContact CZ-OE2 3.59Å; R13-E49 IonicContact NE-OE2 3.06Å; R13-E49 PolarHBondContact NE-OE2 3.36Å; R13-E49 IonicContact NH2-OE1 3.03Å; R13-E49 PolarHBondContact NH2-OE1 2.97Å; R13-E49 IonicContact NH2-OE2 3.25Å; R13-E49 PolarHBondContact NH2-OE2 3.34Å; R13-M50 HydrophobicContact CB-SD 4.17Å; R13-M50 VanDerWaalsContact CD-CG 3.42Å; R13-T68 HydrophobicContact CG-CG2 3.75Å; R13-T68 PolarHBondContact NH2-OG1 2.82Å |
| 14 | A | 90.8 | Very high | 88.3 | Confident | 55 Ų | 55 | 44.9 Ų | 44.9 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I10 I11 I17 L18 | I10-A14 WeakPolarHBondContact O-CB 3.31Å; I10-A14 PolarHBondContact O-N 2.68Å; I11-A14 PolarHBondContact O-N 3.1Å; A14-I17 PolarHBondContact O-N 3.41Å; A14-L18 VanDerWaalsContact O-CB 3.25Å; A14-L18 WeakPolarHBondContact O-CB 3.18Å; A14-L18 PolarHBondContact O-N 3.19Å |
| 15 | L | 93.1 | Very high | 89.1 | Confident | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.2 | -71.1 | 172.7 | 0 | 0 | 0 | 112.2 | I11 T12 R13 L18 L19 L153 | I11-L15 HydrophobicContact CG2-CD1 3.91Å; I11-L15 HydrophobicContact CG2-CG 4.27Å; I11-L15 WeakPolarHBondContact O-CG 3.28Å; I11-L15 PolarHBondContact O-N 3.01Å; T12-L15 PolarHBondContact O-N 3.32Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 2.73Å; L15-L18 PolarHBondContact O-N 2.87Å; L15-L19 PolarHBondContact O-N 3.36Å; L15-L153 HydrophobicContact CB-CD1 3.88Å; L15-L153 HydrophobicContact CB-CD2 4.45Å; L15-L153 HydrophobicContact CD1-CD1 4.14Å |
| 16 | F | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.1 | -72 | -13 | 0 | 0 | 0 | 112.4 | T12 R13 S20 L46 T68 I69 F72 L153 | T12-F16 HydrophobicContact CG2-CD2 4.16Å; T12-F16 HydrophobicContact CG2-CE1 4.14Å; T12-F16 HydrophobicContact CG2-CE2 3.67Å; T12-F16 HydrophobicContact CG2-CZ 3.66Å; T12-F16 WeakPolarHBondContact O-CG 3.41Å; T12-F16 PolarHBondContact O-N 3.19Å; R13-F16 PolarHBondContact O-N 3.4Å; F16-S20 WeakPolarHBondContact O-CB 3.16Å; F16-S20 PolarHBondContact O-N 3.47Å; F16-S20 PolarHBondContact O-OG 2.87Å; F16-L46 HydrophobicContact CB-CD2 4.3Å; F16-T68 HydrophobicContact CD2-CG2 3.93Å; F16-T68 HydrophobicContact CE2-CG2 3.96Å; F16-I69 HydrophobicContact CE2-CG1 4.1Å; F16-I69 HydrophobicContact CZ-CG1 4.14Å; F16-F72 HydrophobicContact CB-CB 4.22Å; F16-F72 HydrophobicContact CB-CD2 3.55Å; F16-F72 HydrophobicContact CB-CE2 4.06Å; F16-F72 HydrophobicContact CB-CG 3.87Å; F16-F72 AromaticContact CD1-CD1 3.96Å; F16-F72 HydrophobicContact CD1-CD1 3.96Å; F16-F72 HydrophobicContact CD1-CD2 4.22Å; F16-F72 HydrophobicContact CD1-CE1 4.02Å; F16-F72 HydrophobicContact CD1-CE2 4.28Å; F16-F72 HydrophobicContact CD1-CG 4.06Å; F16-F72 HydrophobicContact CD1-CZ 4.19Å; F16-F72 HydrophobicContact CD2-CB 3.85Å; F16-F72 HydrophobicContact CD2-CD1 4.3Å; F16-F72 AromaticContact CD2-CG 3.96Å; F16-F72 HydrophobicContact CD2-CG 3.96Å; F16-F72 HydrophobicContact CE1-CD1 4.11Å; F16-F72 HydrophobicContact CE1-CE1 4.19Å; F16-F72 HydrophobicContact CE2-CB 4.39Å; F16-F72 HydrophobicContact CE2-CD1 4.44Å; F16-F72 HydrophobicContact CG-CB 4.08Å; F16-F72 HydrophobicContact CG-CD1 4.07Å; F16-F72 AromaticContact CG-CD2 3.88Å; F16-F72 HydrophobicContact CG-CD2 3.88Å; F16-F72 HydrophobicContact CG-CE2 4.35Å; F16-F72 AromaticContact CG-CG 3.72Å; F16-F72 HydrophobicContact CG-CG 3.72Å; F16-F72 HydrophobicContact CZ-CD1 4.36Å; F16-F72 WeakPolarHBondContact O-CE2 3.34Å; F16-L153 HydrophobicContact CD1-CD2 3.67Å; F16-L153 HydrophobicContact CD1-CG 3.85Å; F16-L153 HydrophobicContact CE1-CD2 4.2Å; F16-L153 HydrophobicContact CE1-CG 3.87Å |
| 17 | I | 92.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.185 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 176.4 | -68.4 | 166.6 | 0 | 0 | 0 | 110.2 | R13 A14 S20 L21 L46 V47 | R13-I17 VanDerWaalsContact O-CG1 3.29Å; R13-I17 WeakPolarHBondContact O-CG1 3.39Å; R13-I17 PolarHBondContact O-N 2.98Å; A14-I17 PolarHBondContact O-N 3.41Å; I17-S20 PolarHBondContact O-N 3.31Å; I17-L21 HydrophobicContact CG2-CD1 3.78Å; I17-L21 HydrophobicContact CG2-CG 4.33Å; I17-L21 WeakPolarHBondContact O-CB 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.47Å; I17-L21 PolarHBondContact O-N 2.93Å; I17-L46 HydrophobicContact CD1-CD2 4.44Å; I17-L46 HydrophobicContact CG1-CD2 3.62Å; I17-L46 HydrophobicContact CG1-CG 4.47Å; I17-V47 HydrophobicContact CD1-CG2 4.14Å |
| 18 | L | 93.8 | Very high | 90.5 | Very high | 104 Ų | 104 | 38.1 Ų | 38.1 | 55% | 0.545 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 179.8 | -176 | 150.3 | 0 | 0 | 0 | 111.6 | A14 L15 S20 L21 V22 | A14-L18 VanDerWaalsContact O-CB 3.25Å; A14-L18 WeakPolarHBondContact O-CB 3.18Å; A14-L18 PolarHBondContact O-N 3.19Å; L15-L18 PolarHBondContact O-N 2.87Å; L18-S20 VanDerWaalsContact C-N 3.31Å; L18-S20 PolarHBondContact O-N 3.42Å; L18-L21 WeakPolarHBondContact O-CB 3.17Å; L18-L21 PolarHBondContact O-N 3.49Å; L18-V22 HydrophobicContact CD2-CG2 4.23Å; L18-V22 WeakPolarHBondContact O-CG2 3.31Å; L18-V22 PolarHBondContact O-N 3.47Å |
| 19 | L | 93.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 178.2 | -177.2 | 62.6 | 0 | 0 | 0 | 111.5 | L15 V22 A23 F72 I76 I149 L153 | L15-L19 PolarHBondContact O-N 3.36Å; L19-V22 PolarHBondContact O-N 2.97Å; L19-A23 PolarHBondContact O-N 3.49Å; L19-F72 HydrophobicContact CD2-CZ 4.04Å; L19-I76 HydrophobicContact CD2-CD1 3.81Å; L19-I76 HydrophobicContact CG-CD1 3.71Å; L19-I149 HydrophobicContact CD1-CG2 3.69Å; L19-I149 HydrophobicContact CD2-CG2 3.97Å; L19-I149 HydrophobicContact CG-CG2 4.49Å; L19-L153 HydrophobicContact CB-CD2 3.79Å; L19-L153 HydrophobicContact CD2-CB 4.32Å; L19-L153 HydrophobicContact CD2-CD2 3.48Å; L19-L153 VanDerWaalsContact CD2-CD2 3.48Å; L19-L153 HydrophobicContact CG-CD2 4.26Å |
| 20 | S | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 177.8 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | F16 I17 L18 A23 V24 F72 S75 | F16-S20 WeakPolarHBondContact O-CB 3.16Å; F16-S20 PolarHBondContact O-N 3.47Å; F16-S20 PolarHBondContact O-OG 2.87Å; I17-S20 PolarHBondContact O-N 3.31Å; L18-S20 VanDerWaalsContact C-N 3.31Å; L18-S20 PolarHBondContact O-N 3.42Å; S20-A23 PolarHBondContact O-N 3.06Å; S20-V24 WeakPolarHBondContact O-CG2 3.31Å; S20-V24 PolarHBondContact O-N 2.93Å; S20-F72 WeakPolarHBondContact OG-CD2 3.42Å; S20-F72 VanDerWaalsContact OG-CE2 3.31Å; S20-F72 WeakPolarHBondContact OG-CE2 3.46Å; S20-S75 PolarHBondContact OG-OG 3.44Å |
| 21 | L | 93 | Very high | 90.8 | Very high | 82 Ų | 82 | 46.6 Ų | 46.6 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 172.6 | -80.4 | 166.2 | 0 | 0 | 0 | 111.8 | I17 L18 A23 V24 W25 F43 | I17-L21 HydrophobicContact CG2-CD1 3.78Å; I17-L21 HydrophobicContact CG2-CG 4.33Å; I17-L21 WeakPolarHBondContact O-CB 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.47Å; I17-L21 PolarHBondContact O-N 2.93Å; L18-L21 WeakPolarHBondContact O-CB 3.17Å; L18-L21 PolarHBondContact O-N 3.49Å; L21-A23 VanDerWaalsContact C-N 3.31Å; L21-A23 PolarHBondContact O-N 3.42Å; L21-V24 PolarHBondContact O-N 3.16Å; L21-W25 VanDerWaalsContact O-CB 3.28Å; L21-W25 WeakPolarHBondContact O-CB 3.49Å; L21-W25 PolarHBondContact O-N 2.96Å; L21-F43 HydrophobicContact CD2-CD2 4.13Å; L21-F43 HydrophobicContact CD2-CE2 3.53Å; L21-F43 HydrophobicContact CG-CD2 4.34Å; L21-F43 HydrophobicContact CG-CE2 3.78Å |
| 22 | V | 92.4 | Very high | 90.5 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 39% | 0.394 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | L18 L19 W25 R26 | L18-V22 HydrophobicContact CD2-CG2 4.23Å; L18-V22 WeakPolarHBondContact O-CG2 3.31Å; L18-V22 PolarHBondContact O-N 3.47Å; L19-V22 PolarHBondContact O-N 2.97Å; V22-W25 PolarHBondContact O-N 3.35Å; V22-R26 VanDerWaalsContact O-CG 3.27Å; V22-R26 WeakPolarHBondContact O-CG 3.49Å; V22-R26 PolarHBondContact O-N 3.06Å |
| 23 | A | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L19 S20 L21 R26 V27 I76 L146 | L19-A23 PolarHBondContact O-N 3.49Å; S20-A23 PolarHBondContact O-N 3.06Å; L21-A23 VanDerWaalsContact C-N 3.31Å; L21-A23 PolarHBondContact O-N 3.42Å; A23-R26 PolarHBondContact O-N 2.94Å; A23-V27 WeakPolarHBondContact O-CG2 3.5Å; A23-V27 PolarHBondContact O-N 3.49Å; A23-I76 HydrophobicContact CB-CD1 4.38Å; A23-I76 HydrophobicContact CB-CG1 4.07Å; A23-L146 HydrophobicContact CB-CD1 4.04Å |
| 24 | V | 92.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | S20 L21 R26 V27 I28 L39 T40 F43 S79 | S20-V24 WeakPolarHBondContact O-CG2 3.31Å; S20-V24 PolarHBondContact O-N 2.93Å; L21-V24 PolarHBondContact O-N 3.16Å; V24-R26 VanDerWaalsContact C-N 3.29Å; V24-R26 PolarHBondContact O-N 3.25Å; V24-V27 WeakPolarHBondContact O-CB 3.23Å; V24-V27 PolarHBondContact O-N 2.82Å; V24-V27 VanDerWaalsContact O-N 3.15Å; V24-I28 HydrophobicContact CG1-CD1 3.8Å; V24-I28 HydrophobicContact CG1-CG1 4.44Å; V24-I28 WeakPolarHBondContact O-CG1 2.99Å; V24-I28 PolarHBondContact O-N 3Å; V24-L39 HydrophobicContact CG1-CB 4.37Å; V24-L39 HydrophobicContact CG2-CB 3.8Å; V24-L39 HydrophobicContact CG2-CD2 4.39Å; V24-T40 HydrophobicContact CG1-CG2 3.86Å; V24-F43 HydrophobicContact CB-CZ 4.43Å; V24-F43 HydrophobicContact CG2-CE1 4.4Å; V24-F43 HydrophobicContact CG2-CZ 3.69Å; V24-S79 WeakPolarHBondContact CG2-OG 3.46Å |
| 25 | W | 91.5 | Very high | 89.3 | Confident | 154 Ų | 154 | 68 Ų | 68 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.9 | -43 | 175 | 173.8 | 64.2 | 0 | 0 | 0 | 111.6 | L21 V22 I28 W29 | L21-W25 VanDerWaalsContact O-CB 3.28Å; L21-W25 WeakPolarHBondContact O-CB 3.49Å; L21-W25 PolarHBondContact O-N 2.96Å; V22-W25 PolarHBondContact O-N 3.35Å; W25-I28 PolarHBondContact O-N 2.62Å; W25-W29 WeakPolarHBondContact O-CB 3.3Å; W25-W29 PolarHBondContact O-N 3.17Å |
| 26 | R | 89.9 | Confident | 88.9 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 18% | 0.181 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175 | -66.8 | -62.3 | -73.5 | 179.4 | -9 | 112.1 | V22 A23 V24 I28 W29 V30 L83 | V22-R26 VanDerWaalsContact O-CG 3.27Å; V22-R26 WeakPolarHBondContact O-CG 3.49Å; V22-R26 PolarHBondContact O-N 3.06Å; A23-R26 PolarHBondContact O-N 2.94Å; V24-R26 VanDerWaalsContact C-N 3.29Å; V24-R26 PolarHBondContact O-N 3.25Å; R26-I28 VanDerWaalsContact C-N 3.32Å; R26-I28 PolarHBondContact O-N 2.84Å; R26-W29 PolarHBondContact O-N 3.1Å; R26-V30 WeakPolarHBondContact O-CB 2.99Å; R26-V30 VanDerWaalsContact O-CG2 3.26Å; R26-V30 WeakPolarHBondContact O-CG2 3.19Å; R26-V30 PolarHBondContact O-N 3.49Å; R26-L83 HydrophobicContact CB-CD2 4.37Å |
| 27 | V | 89.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.1 | -48.1 | 174.3 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | A23 V24 V30 K31 Y36 S79 I82 L83 | A23-V27 WeakPolarHBondContact O-CG2 3.5Å; A23-V27 PolarHBondContact O-N 3.49Å; V24-V27 WeakPolarHBondContact O-CB 3.23Å; V24-V27 PolarHBondContact O-N 2.82Å; V24-V27 VanDerWaalsContact O-N 3.15Å; V27-V30 PolarHBondContact O-N 3.3Å; V27-K31 HydrophobicContact CG1-CG 4.45Å; V27-K31 WeakPolarHBondContact O-CB 3.47Å; V27-K31 PolarHBondContact O-N 3.19Å; V27-Y36 HydrophobicContact CG1-CD1 3.67Å; V27-Y36 HydrophobicContact CG1-CD2 4.34Å; V27-Y36 HydrophobicContact CG1-CE1 4.29Å; V27-Y36 HydrophobicContact CG1-CG 3.69Å; V27-S79 WeakPolarHBondContact CG2-O 3.23Å; V27-I82 HydrophobicContact CG1-CB 4.35Å; V27-I82 HydrophobicContact CG1-CD1 4.49Å; V27-I82 HydrophobicContact CG1-CG2 3.69Å; V27-I82 HydrophobicContact CG2-CB 4.47Å; V27-L83 HydrophobicContact CG2-CD1 3.98Å; V27-L83 HydrophobicContact CG2-CD2 4.34Å; V27-L83 HydrophobicContact CG2-CG 3.76Å |
| 28 | I | 89.2 | Confident | 88.2 | Confident | 31 Ų | 31 | 79.3 Ų | 79.3 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | -179.3 | -65.7 | 159.4 | 0 | 0 | 0 | 110.8 | V24 W25 R26 V30 K32 W37 | V24-I28 HydrophobicContact CG1-CD1 3.8Å; V24-I28 HydrophobicContact CG1-CG1 4.44Å; V24-I28 WeakPolarHBondContact O-CG1 2.99Å; V24-I28 PolarHBondContact O-N 3Å; W25-I28 PolarHBondContact O-N 2.62Å; R26-I28 VanDerWaalsContact C-N 3.32Å; R26-I28 PolarHBondContact O-N 2.84Å; I28-V30 VanDerWaalsContact C-N 3.28Å; I28-V30 PolarHBondContact O-N 2.77Å; I28-K32 WeakPolarHBondContact O-CA 3.47Å; I28-K32 PolarHBondContact O-N 3.44Å; I28-W37 HydrophobicContact CD1-CD2 3.94Å; I28-W37 HydrophobicContact CD1-CG 3.93Å; I28-W37 HydrophobicContact CD1-CZ2 4.4Å |
| 29 | W | 87.3 | Confident | 87.8 | Confident | 163 Ų | 163 | 75.5 Ų | 75.5 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.4 | -40.1 | 179.3 | -172.2 | 86.5 | 0 | 0 | 0 | 112 | W25 R26 | W25-W29 WeakPolarHBondContact O-CB 3.3Å; W25-W29 PolarHBondContact O-N 3.17Å; R26-W29 PolarHBondContact O-N 3.1Å |
| 30 | V | 85.5 | Confident | 87.5 | Confident | 42 Ų | 42 | 76.7 Ų | 76.7 | 26% | 0.255 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.3 | -46.7 | -178.8 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | R26 V27 I28 L83 H86 | R26-V30 WeakPolarHBondContact O-CB 2.99Å; R26-V30 VanDerWaalsContact O-CG2 3.26Å; R26-V30 WeakPolarHBondContact O-CG2 3.19Å; R26-V30 PolarHBondContact O-N 3.49Å; V27-V30 PolarHBondContact O-N 3.3Å; I28-V30 VanDerWaalsContact C-N 3.28Å; I28-V30 PolarHBondContact O-N 2.77Å; V30-L83 HydrophobicContact CB-CD2 4.48Å; V30-L83 HydrophobicContact CG2-CD2 4.15Å; V30-H86 WeakPolarHBondContact CG1-CD2 3.45Å; V30-H86 VanDerWaalsContact CG1-NE2 3.32Å; V30-H86 WeakPolarHBondContact CG1-NE2 3.22Å |
| 31 | K | 84.5 | Confident | 87.4 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -82.4 | -20.3 | -176.2 | -73.4 | -75 | -168.7 | -178 | 0 | 114.1 | V27 H33 Y36 I82 H86 | V27-K31 HydrophobicContact CG1-CG 4.45Å; V27-K31 WeakPolarHBondContact O-CB 3.47Å; V27-K31 PolarHBondContact O-N 3.19Å; K31-H33 PolarHBondContact O-CD2 3.41Å; K31-H33 PolarHBondContact O-N 2.82Å; K31-Y36 HydrophobicContact CB-CD2 3.69Å; K31-Y36 HydrophobicContact CB-CE2 3.37Å; K31-Y36 HydrophobicContact CD-CE2 4.02Å; K31-Y36 HydrophobicContact CG-CD2 4.14Å; K31-Y36 HydrophobicContact CG-CE2 3.55Å; K31-I82 HydrophobicContact CG-CG2 4.21Å; K31-H86 HydrophobicContact CD-CB 4.47Å; K31-H86 PolarHBondContact NZ-ND1 3.45Å |
| 32 | K | 83 | Confident | 87.2 | Confident | 183 Ų | 183 | 80.3 Ų | 80.3 | 80% | 0.796 | 37% | 0.368 | S | S | * | . | trans | 55.4 | 13.8 | -177.9 | -59.3 | -175.2 | 177.8 | -178.8 | 0 | 115.9 | I28 | I28-K32 WeakPolarHBondContact O-CA 3.47Å; I28-K32 PolarHBondContact O-N 3.44Å | ||
| 33 | H | 81.5 | Confident | 87 | Confident | 108 Ų | 108 | 78 Ų | 78 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | trans | -107.5 | 136.4 | 178.6 | -69.6 | -65.2 | 0 | 0 | 0 | 111.4 | K31 Y35 Y36 | K31-H33 PolarHBondContact O-CD2 3.41Å; K31-H33 PolarHBondContact O-N 2.82Å; H33-Y35 VanDerWaalsContact C-N 3.32Å; H33-Y35 PolarHBondContact O-N 3.34Å; H33-Y36 HydrophobicContact CB-CD2 4.12Å; H33-Y36 HydrophobicContact CB-CE2 4.07Å | ||
| 34 | P | 79.5 | Confident | 86.8 | Confident | 91 Ų | 91 | 82.8 Ų | 82.8 | 59% | 0.591 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -72.5 | -21.6 | -173.9 | 28.6 | -35 | 0 | 0 | 0 | 113.7 | Y36 W37 | P34-Y36 PolarHBondContact O-N 3.2Å; P34-Y36 VanDerWaalsContact O-N 3.08Å; P34-W37 WeakPolarHBondContact O-CB 3.46Å; P34-W37 PolarHBondContact O-N 3.33Å |
| 35 | Y | 84.4 | Confident | 86.7 | Confident | 196 Ų | 196 | 85.5 Ų | 85.5 | 77% | 0.769 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -56.9 | -27.3 | -178.7 | -65.1 | -71.9 | 0 | 0 | 0 | 114.1 | H33 W37 L38 | H33-Y35 VanDerWaalsContact C-N 3.32Å; H33-Y35 PolarHBondContact O-N 3.34Å; Y35-W37 PolarHBondContact O-N 3.33Å; Y35-L38 VanDerWaalsContact O-CB 3.26Å; Y35-L38 WeakPolarHBondContact O-CB 3.26Å; Y35-L38 PolarHBondContact O-N 3.29Å |
| 36 | Y | 85.1 | Confident | 86.4 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -68.7 | -12.2 | 179.1 | -66 | -72.2 | 0 | 0 | 0 | 113.7 | V27 K31 H33 P34 L38 L39 I82 | V27-Y36 HydrophobicContact CG1-CD1 3.67Å; V27-Y36 HydrophobicContact CG1-CD2 4.34Å; V27-Y36 HydrophobicContact CG1-CE1 4.29Å; V27-Y36 HydrophobicContact CG1-CG 3.69Å; K31-Y36 HydrophobicContact CB-CD2 3.69Å; K31-Y36 HydrophobicContact CB-CE2 3.37Å; K31-Y36 HydrophobicContact CD-CE2 4.02Å; K31-Y36 HydrophobicContact CG-CD2 4.14Å; K31-Y36 HydrophobicContact CG-CE2 3.55Å; H33-Y36 HydrophobicContact CB-CD2 4.12Å; H33-Y36 HydrophobicContact CB-CE2 4.07Å; P34-Y36 PolarHBondContact O-N 3.2Å; P34-Y36 VanDerWaalsContact O-N 3.08Å; Y36-L38 PolarHBondContact O-N 3.4Å; Y36-L39 HydrophobicContact CD1-CD1 4.25Å; Y36-L39 PolarHBondContact O-N 3.02Å; Y36-L39 VanDerWaalsContact O-N 3.14Å; Y36-I82 HydrophobicContact CD1-CD1 3.9Å; Y36-I82 HydrophobicContact CD1-CG2 4.36Å; Y36-I82 HydrophobicContact CE1-CD1 3.79Å; Y36-I82 HydrophobicContact CE1-CG1 4.3Å; Y36-I82 HydrophobicContact CE1-CG2 3.77Å |
| 37 | W | 83.3 | Confident | 86.3 | Confident | 157 Ų | 157 | 78.3 Ų | 78.3 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -59.4 | -25 | 166.9 | -87.4 | 97.2 | 0 | 0 | 0 | 112.8 | I28 P34 Y35 L39 T40 | I28-W37 HydrophobicContact CD1-CD2 3.94Å; I28-W37 HydrophobicContact CD1-CG 3.93Å; I28-W37 HydrophobicContact CD1-CZ2 4.4Å; P34-W37 WeakPolarHBondContact O-CB 3.46Å; P34-W37 PolarHBondContact O-N 3.33Å; Y35-W37 PolarHBondContact O-N 3.33Å; W37-L39 PolarHBondContact O-N 3.41Å; W37-L39 VanDerWaalsContact O-N 3.16Å; W37-T40 HydrophobicContact CE3-CG2 3.83Å; W37-T40 HydrophobicContact CZ3-CG2 4.16Å; W37-T40 WeakPolarHBondContact O-CB 3.47Å; W37-T40 WeakPolarHBondContact O-CG2 3.5Å; W37-T40 PolarHBondContact O-N 3.28Å; W37-T40 PolarHBondContact O-OG1 3.08Å |
| 38 | L | 87.6 | Confident | 86.2 | Confident | 125 Ų | 125 | 81.9 Ų | 81.9 | 65% | 0.654 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -58.7 | -26.6 | 175.5 | -170.3 | 69.4 | 0 | 0 | 0 | 112.5 | Y35 Y36 T40 L41 | Y35-L38 VanDerWaalsContact O-CB 3.26Å; Y35-L38 WeakPolarHBondContact O-CB 3.26Å; Y35-L38 PolarHBondContact O-N 3.29Å; Y36-L38 PolarHBondContact O-N 3.4Å; L38-T40 PolarHBondContact O-N 2.98Å; L38-L41 HydrophobicContact CD1-CD2 4.26Å; L38-L41 WeakPolarHBondContact O-CB 3.29Å; L38-L41 PolarHBondContact O-N 3.46Å |
| 39 | L | 86.8 | Confident | 86.1 | Confident | 24 Ų | 24 | 81.2 Ų | 81.2 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -62 | -24.9 | 175.6 | -88.6 | 80.8 | 0 | 0 | 0 | 112.8 | V24 Y36 W37 L41 L42 P78 S79 I82 | V24-L39 HydrophobicContact CG1-CB 4.37Å; V24-L39 HydrophobicContact CG2-CB 3.8Å; V24-L39 HydrophobicContact CG2-CD2 4.39Å; Y36-L39 HydrophobicContact CD1-CD1 4.25Å; Y36-L39 PolarHBondContact O-N 3.02Å; Y36-L39 VanDerWaalsContact O-N 3.14Å; W37-L39 PolarHBondContact O-N 3.41Å; W37-L39 VanDerWaalsContact O-N 3.16Å; L39-L41 PolarHBondContact O-N 2.93Å; L39-L42 HydrophobicContact CG-CD1 4.38Å; L39-L42 VanDerWaalsContact O-CB 3.3Å; L39-L42 WeakPolarHBondContact O-CB 3.24Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-P78 HydrophobicContact CD2-CB 4.05Å; L39-S79 WeakPolarHBondContact CD2-OG 3.13Å; L39-I82 HydrophobicContact CD1-CD1 4.1Å; L39-I82 HydrophobicContact CD2-CD1 3.97Å |
| 40 | T | 87.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -64.3 | -21.2 | 174.8 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | V24 W37 L38 L42 F43 | V24-T40 HydrophobicContact CG1-CG2 3.86Å; W37-T40 HydrophobicContact CE3-CG2 3.83Å; W37-T40 HydrophobicContact CZ3-CG2 4.16Å; W37-T40 WeakPolarHBondContact O-CB 3.47Å; W37-T40 WeakPolarHBondContact O-CG2 3.5Å; W37-T40 PolarHBondContact O-N 3.28Å; W37-T40 PolarHBondContact O-OG1 3.08Å; L38-T40 PolarHBondContact O-N 2.98Å; T40-L42 PolarHBondContact O-N 3.37Å; T40-F43 HydrophobicContact CG2-CD2 4.47Å; T40-F43 HydrophobicContact CG2-CE2 3.88Å; T40-F43 VanDerWaalsContact O-CB 3.28Å; T40-F43 WeakPolarHBondContact O-CB 2.9Å; T40-F43 WeakPolarHBondContact O-CD2 3.4Å; T40-F43 VanDerWaalsContact O-CG 3.29Å; T40-F43 WeakPolarHBondContact O-CG 3.4Å; T40-F43 PolarHBondContact O-N 3.03Å |
| 41 | L | 89.1 | Confident | 85.8 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 52% | 0.524 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -61.1 | -31 | 173.3 | -168.5 | 74.3 | 0 | 0 | 0 | 111.8 | L38 L39 F43 L44 | L38-L41 HydrophobicContact CD1-CD2 4.26Å; L38-L41 WeakPolarHBondContact O-CB 3.29Å; L38-L41 PolarHBondContact O-N 3.46Å; L39-L41 PolarHBondContact O-N 2.93Å; L41-F43 PolarHBondContact O-N 3.43Å; L41-F43 VanDerWaalsContact O-N 3.08Å; L41-L44 HydrophobicContact CD1-CD1 3.41Å; L41-L44 VanDerWaalsContact CD1-CD1 3.41Å; L41-L44 HydrophobicContact CD1-CG 4.37Å; L41-L44 HydrophobicContact CG-CD1 4.24Å; L41-L44 WeakPolarHBondContact O-CB 3.49Å; L41-L44 PolarHBondContact O-N 3.35Å |
| 42 | L | 89.6 | Confident | 85.8 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 31% | 0.309 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -66 | -9.2 | 177.1 | -63.7 | 167.4 | 0 | 0 | 0 | 112.7 | L39 T40 P45 I74 P78 | L39-L42 HydrophobicContact CG-CD1 4.38Å; L39-L42 VanDerWaalsContact O-CB 3.3Å; L39-L42 WeakPolarHBondContact O-CB 3.24Å; L39-L42 PolarHBondContact O-N 2.92Å; T40-L42 PolarHBondContact O-N 3.37Å; L42-P45 WeakPolarHBondContact O-CD 3.38Å; L42-I74 HydrophobicContact CD2-CG2 4.28Å; L42-P78 HydrophobicContact CD1-CG 4.21Å |
| 43 | F | 88.5 | Confident | 85.6 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -82.4 | -21.6 | 173.6 | -50.4 | -22.1 | 0 | 0 | 0 | 112.2 | L21 V24 T40 L41 L46 V47 | L21-F43 HydrophobicContact CD2-CD2 4.13Å; L21-F43 HydrophobicContact CD2-CE2 3.53Å; L21-F43 HydrophobicContact CG-CD2 4.34Å; L21-F43 HydrophobicContact CG-CE2 3.78Å; V24-F43 HydrophobicContact CB-CZ 4.43Å; V24-F43 HydrophobicContact CG2-CE1 4.4Å; V24-F43 HydrophobicContact CG2-CZ 3.69Å; T40-F43 HydrophobicContact CG2-CD2 4.47Å; T40-F43 HydrophobicContact CG2-CE2 3.88Å; T40-F43 VanDerWaalsContact O-CB 3.28Å; T40-F43 WeakPolarHBondContact O-CB 2.9Å; T40-F43 WeakPolarHBondContact O-CD2 3.4Å; T40-F43 VanDerWaalsContact O-CG 3.29Å; T40-F43 WeakPolarHBondContact O-CG 3.4Å; T40-F43 PolarHBondContact O-N 3.03Å; L41-F43 PolarHBondContact O-N 3.43Å; L41-F43 VanDerWaalsContact O-N 3.08Å; F43-L46 WeakPolarHBondContact O-CB 3.5Å; F43-L46 PolarHBondContact O-N 3.16Å; F43-L46 VanDerWaalsContact O-N 3.11Å; F43-V47 PolarHBondContact O-N 2.93Å |
| 44 | L | 88 | Confident | 85.3 | Confident | 101 Ų | 101 | 68 Ų | 68 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | -179.5 | -70 | 177.5 | 0 | 0 | 0 | 112.7 | L41 L46 V47 V48 | L41-L44 HydrophobicContact CD1-CD1 3.41Å; L41-L44 VanDerWaalsContact CD1-CD1 3.41Å; L41-L44 HydrophobicContact CD1-CG 4.37Å; L41-L44 HydrophobicContact CG-CD1 4.24Å; L41-L44 WeakPolarHBondContact O-CB 3.49Å; L41-L44 PolarHBondContact O-N 3.35Å; L44-L46 PolarHBondContact O-N 3.05Å; L44-V47 PolarHBondContact O-N 3.42Å; L44-V48 VanDerWaalsContact O-CG2 3.3Å; L44-V48 WeakPolarHBondContact O-CG2 3.43Å; L44-V48 PolarHBondContact O-N 3.24Å |
| 45 | P | 88.8 | Confident | 85.2 | Confident | 59 Ų | 59 | 73.9 Ų | 73.9 | 38% | 0.383 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.4 | -36.7 | 175.2 | -26.4 | 36 | 0 | 0 | 0 | 113.2 | L42 V48 E49 L71 | L42-P45 WeakPolarHBondContact O-CD 3.38Å; P45-V48 PolarHBondContact O-N 2.76Å; P45-E49 WeakPolarHBondContact O-CB 2.88Å; P45-E49 PolarHBondContact O-N 3.4Å; P45-L71 HydrophobicContact CB-CD1 4.34Å; P45-L71 HydrophobicContact CB-CD2 3.95Å |
| 46 | L | 86.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 179.5 | -167.3 | 68.2 | 0 | 0 | 0 | 111.6 | F16 I17 F43 L44 M50 T68 L71 F72 | F16-L46 HydrophobicContact CB-CD2 4.3Å; I17-L46 HydrophobicContact CD1-CD2 4.44Å; I17-L46 HydrophobicContact CG1-CD2 3.62Å; I17-L46 HydrophobicContact CG1-CG 4.47Å; F43-L46 WeakPolarHBondContact O-CB 3.5Å; F43-L46 PolarHBondContact O-N 3.16Å; F43-L46 VanDerWaalsContact O-N 3.11Å; L44-L46 PolarHBondContact O-N 3.05Å; L46-M50 PolarHBondContact O-N 2.96Å; L46-T68 HydrophobicContact CD1-CG2 4.09Å; L46-T68 WeakPolarHBondContact CD1-O 3.35Å; L46-L71 HydrophobicContact CD1-CB 3.82Å; L46-F72 HydrophobicContact CD1-CB 4.37Å |
| 47 | V | 87.3 | Confident | 83.4 | Confident | 51 Ų | 51 | 74.9 Ų | 74.9 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | I17 F43 L44 M50 I51 | I17-V47 HydrophobicContact CD1-CG2 4.14Å; F43-V47 PolarHBondContact O-N 2.93Å; L44-V47 PolarHBondContact O-N 3.42Å; V47-M50 HydrophobicContact CG1-CE 4.42Å; V47-M50 WeakPolarHBondContact O-CB 3.4Å; V47-M50 PolarHBondContact O-N 3.44Å; V47-I51 HydrophobicContact CG1-CD1 4.14Å; V47-I51 WeakPolarHBondContact O-CG1 3.25Å; V47-I51 PolarHBondContact O-N 3.49Å |
| 48 | V | 87.4 | Confident | 82.3 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 176 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L44 P45 M50 I51 I52 | L44-V48 VanDerWaalsContact O-CG2 3.3Å; L44-V48 WeakPolarHBondContact O-CG2 3.43Å; L44-V48 PolarHBondContact O-N 3.24Å; P45-V48 PolarHBondContact O-N 2.76Å; V48-M50 VanDerWaalsContact C-N 3.31Å; V48-M50 PolarHBondContact O-N 3.27Å; V48-I51 PolarHBondContact O-N 2.96Å; V48-I52 HydrophobicContact CG1-CD1 3.71Å; V48-I52 HydrophobicContact CG1-CG1 4.38Å; V48-I52 VanDerWaalsContact O-CG1 3.3Å; V48-I52 WeakPolarHBondContact O-CG1 3.42Å; V48-I52 PolarHBondContact O-N 3.09Å |
| 49 | E | 86.9 | Confident | 80.9 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57 | -45.3 | 173.6 | -175.1 | -77.9 | 138.5 | 0 | 0 | 110.9 | R13 P45 I51 I52 T53 P67 T68 L71 | R13-E49 IonicContact CZ-OE2 3.59Å; R13-E49 IonicContact NE-OE2 3.06Å; R13-E49 PolarHBondContact NE-OE2 3.36Å; R13-E49 IonicContact NH2-OE1 3.03Å; R13-E49 PolarHBondContact NH2-OE1 2.97Å; R13-E49 IonicContact NH2-OE2 3.25Å; R13-E49 PolarHBondContact NH2-OE2 3.34Å; P45-E49 WeakPolarHBondContact O-CB 2.88Å; P45-E49 PolarHBondContact O-N 3.4Å; E49-I51 PolarHBondContact O-N 3.25Å; E49-I52 PolarHBondContact O-N 3.27Å; E49-T53 VanDerWaalsContact O-CB 3.31Å; E49-T53 WeakPolarHBondContact O-CB 3.44Å; E49-T53 PolarHBondContact O-N 3.1Å; E49-T53 PolarHBondContact O-OG1 3.02Å; E49-T53 VanDerWaalsContact O-OG1 3.12Å; E49-T53 WeakPolarHBondContact OE1-CB 3.41Å; E49-T53 PolarHBondContact OE1-OG1 3.46Å; E49-P67 HydrophobicContact CG-CB 4.25Å; E49-T68 PolarHBondContact OE1-OG1 2.91Å; E49-T68 PolarHBondContact OE2-OG1 3.43Å; E49-L71 HydrophobicContact CB-CD1 3.61Å; E49-L71 HydrophobicContact CG-CD1 3.95Å |
| 50 | M | 84 | Confident | 79.6 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 22% | 0.222 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.9 | -50.9 | 174.9 | -175.6 | 175.4 | 71.3 | 0 | 0 | 111.7 | R13 L46 V47 V48 I52 T53 L54 | R13-M50 HydrophobicContact CB-SD 4.17Å; R13-M50 VanDerWaalsContact CD-CG 3.42Å; L46-M50 PolarHBondContact O-N 2.96Å; V47-M50 HydrophobicContact CG1-CE 4.42Å; V47-M50 WeakPolarHBondContact O-CB 3.4Å; V47-M50 PolarHBondContact O-N 3.44Å; V48-M50 VanDerWaalsContact C-N 3.31Å; V48-M50 PolarHBondContact O-N 3.27Å; M50-I52 VanDerWaalsContact C-N 3.34Å; M50-I52 PolarHBondContact O-N 3.09Å; M50-T53 PolarHBondContact O-N 3.13Å; M50-L54 HydrophobicContact CG-CD1 4Å; M50-L54 HydrophobicContact CG-CG 4.4Å; M50-L54 WeakPolarHBondContact O-CB 3.24Å; M50-L54 VanDerWaalsContact O-CG 3.22Å; M50-L54 WeakPolarHBondContact O-CG 3.28Å; M50-L54 PolarHBondContact O-N 3.41Å |
| 51 | I | 83.9 | Confident | 78.3 | Confident | 75 Ų | 75 | 70.1 Ų | 70.1 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | -179.2 | -65.6 | 164.8 | 0 | 0 | 0 | 110.7 | V47 V48 E49 R55 | V47-I51 HydrophobicContact CG1-CD1 4.14Å; V47-I51 WeakPolarHBondContact O-CG1 3.25Å; V47-I51 PolarHBondContact O-N 3.49Å; V48-I51 PolarHBondContact O-N 2.96Å; E49-I51 PolarHBondContact O-N 3.25Å; I51-R55 HydrophobicContact CG2-CG 4.38Å; I51-R55 VanDerWaalsContact O-CB 3.31Å; I51-R55 WeakPolarHBondContact O-CB 3.4Å; I51-R55 WeakPolarHBondContact O-CG 3.4Å; I51-R55 PolarHBondContact O-N 3.18Å |
| 52 | I | 83.4 | Confident | 77.1 | Confident | 80 Ų | 80 | 70.4 Ų | 70.4 | 41% | 0.41 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 178.9 | -68.4 | 169.2 | 0 | 0 | 0 | 110.7 | V48 E49 M50 R55 K56 | V48-I52 HydrophobicContact CG1-CD1 3.71Å; V48-I52 HydrophobicContact CG1-CG1 4.38Å; V48-I52 VanDerWaalsContact O-CG1 3.3Å; V48-I52 WeakPolarHBondContact O-CG1 3.42Å; V48-I52 PolarHBondContact O-N 3.09Å; E49-I52 PolarHBondContact O-N 3.27Å; M50-I52 VanDerWaalsContact C-N 3.34Å; M50-I52 PolarHBondContact O-N 3.09Å; I52-R55 PolarHBondContact O-N 3.12Å; I52-K56 WeakPolarHBondContact O-CB 3.48Å; I52-K56 PolarHBondContact O-N 3Å |
| 53 | T | 78.2 | Confident | 75.7 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.1 | -36.1 | -176.9 | -67 | 0 | 0 | 0 | 0 | 111.8 | E49 M50 R57 K58 G59 | E49-T53 VanDerWaalsContact O-CB 3.31Å; E49-T53 WeakPolarHBondContact O-CB 3.44Å; E49-T53 PolarHBondContact O-N 3.1Å; E49-T53 PolarHBondContact O-OG1 3.02Å; E49-T53 VanDerWaalsContact O-OG1 3.12Å; E49-T53 WeakPolarHBondContact OE1-CB 3.41Å; E49-T53 PolarHBondContact OE1-OG1 3.46Å; M50-T53 PolarHBondContact O-N 3.13Å; T53-R57 CarbonylContact O-C 3.59Å; T53-R57 PolarHBondContact O-N 3.45Å; T53-K58 PolarHBondContact O-N 2.96Å; T53-G59 PolarHBondContact O-N 2.86Å |
| 54 | L | 76 | Confident | 74.5 | Confident | 51 Ų | 51 | 76.9 Ų | 76.9 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.7 | -42.7 | 172.6 | -66.1 | -178.5 | 0 | 0 | 0 | 112.4 | F6 M50 | F6-L54 HydrophobicContact CD2-CD2 4.01Å; F6-L54 HydrophobicContact CE2-CD2 3.63Å; F6-L54 HydrophobicContact CZ-CD2 4.41Å; M50-L54 HydrophobicContact CG-CD1 4Å; M50-L54 HydrophobicContact CG-CG 4.4Å; M50-L54 WeakPolarHBondContact O-CB 3.24Å; M50-L54 VanDerWaalsContact O-CG 3.22Å; M50-L54 WeakPolarHBondContact O-CG 3.28Å; M50-L54 PolarHBondContact O-N 3.41Å |
| 55 | R | 77.5 | Confident | 74 | Confident | 215 Ų | 215 | 75.4 Ų | 75.4 | 81% | 0.811 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -77.2 | -43.8 | -177.2 | -73.2 | -173.8 | 177.3 | -170.5 | 0.5 | 114.1 | I51 I52 | I51-R55 HydrophobicContact CG2-CG 4.38Å; I51-R55 VanDerWaalsContact O-CB 3.31Å; I51-R55 WeakPolarHBondContact O-CB 3.4Å; I51-R55 WeakPolarHBondContact O-CG 3.4Å; I51-R55 PolarHBondContact O-N 3.18Å; I52-R55 PolarHBondContact O-N 3.12Å |
| 56 | K | 69 | Low | 73.6 | Confident | 178 Ų | 178 | 72.7 Ų | 72.7 | 77% | 0.774 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -100.6 | -30.1 | -170.6 | -70.6 | -168.6 | 174.3 | -175.4 | 0 | 114.2 | I52 | I52-K56 WeakPolarHBondContact O-CB 3.48Å; I52-K56 PolarHBondContact O-N 3Å |
| 57 | R | 62.3 | Low | 73.6 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -113.5 | 4.6 | -168.3 | -65.1 | -170.4 | -174.1 | -120.5 | -8.1 | 115.2 | T53 G59 L60 Y62 | T53-R57 CarbonylContact O-C 3.59Å; T53-R57 PolarHBondContact O-N 3.45Å; R57-G59 PolarHBondContact O-N 3.26Å; R57-G59 VanDerWaalsContact O-N 3.13Å; R57-L60 PolarHBondContact O-N 2.88Å; R57-L60 VanDerWaalsContact O-N 3.08Å; R57-Y62 VanDerWaalsContact CZ-OH 3.25Å; R57-Y62 VanDerWaalsContact NH1-CD1 3.33Å; R57-Y62 VanDerWaalsContact NH1-CZ 3.27Å; R57-Y62 PolarHBondContact NH2-OH 2.94Å |
| 58 | K | 61.3 | Low | 73.6 | Confident | 156 Ų | 156 | 71 Ų | 71 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 40 | -174.2 | -57.7 | 176.9 | -179.8 | 175.4 | 0 | 110.6 | M1 T53 L60 | M1-K58 WeakPolarHBondContact CE-O 3.39Å; M1-K58 HydrophobicContact SD-CB 4.37Å; T53-K58 PolarHBondContact O-N 2.96Å; K58-L60 VanDerWaalsContact C-N 3.32Å; K58-L60 PolarHBondContact O-N 3.23Å |
| 59 | G | 57.7 | Low | 73.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 2.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | T53 R57 P162 | T53-G59 PolarHBondContact O-N 2.86Å; R57-G59 PolarHBondContact O-N 3.26Å; R57-G59 VanDerWaalsContact O-N 3.13Å; G59-P162 WeakPolarHBondContact O-CG 3.4Å |
| 60 | L | 59.1 | Low | 74 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 42% | 0.424 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 129.6 | -176.4 | -62 | 168.5 | 0 | 0 | 0 | 112.3 | R57 K58 | R57-L60 PolarHBondContact O-N 2.88Å; R57-L60 VanDerWaalsContact O-N 3.08Å; K58-L60 VanDerWaalsContact C-N 3.32Å; K58-L60 PolarHBondContact O-N 3.23Å |
| 61 | D | 60.8 | Low | 74.4 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 160.7 | 175 | -83.6 | -3.5 | 0 | 0 | 0 | 112.7 | L161 G164 | D61-L161 WeakPolarHBondContact OD2-CB 3.21Å; D61-L161 WeakPolarHBondContact OD2-CD1 3.3Å; D61-G164 WeakPolarHBondContact O-CA 3.5Å |
| 62 | Y | 63.3 | Low | 74.8 | Confident | 106 Ų | 106 | 66 Ų | 66 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 152 | 176.2 | -59.4 | -114.8 | 0 | 0 | 0 | 110.7 | R57 W64 F65 P67 | R57-Y62 VanDerWaalsContact CZ-OH 3.25Å; R57-Y62 VanDerWaalsContact NH1-CD1 3.33Å; R57-Y62 VanDerWaalsContact NH1-CZ 3.27Å; R57-Y62 PolarHBondContact NH2-OH 2.94Å; Y62-W64 VanDerWaalsContact C-N 3.31Å; Y62-W64 PolarHBondContact O-N 3.5Å; Y62-F65 WeakPolarHBondContact CB-O 3.39Å; Y62-P67 HydrophobicContact CD2-CG 3.45Å; Y62-P67 VanDerWaalsContact CD2-CG 3.45Å; Y62-P67 HydrophobicContact CE2-CG 3.39Å; Y62-P67 HydrophobicContact CG-CG 4.5Å |
| 63 | K | 59.8 | Low | 75.3 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -62.6 | -32.8 | -174.5 | -176 | 175 | 175.7 | -178.1 | 0 | 113.9 | Q230 | K63-Q230 VanDerWaalsContact CE-OE1 3.22Š|
| 64 | W | 63.3 | Low | 76 | Confident | 135 Ų | 135 | 65.4 Ų | 65.4 | 51% | 0.511 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -121.6 | -13 | -168.5 | -51.8 | 93.6 | 0 | 0 | 0 | 114.4 | Y62 H223 C227 | Y62-W64 VanDerWaalsContact C-N 3.31Å; Y62-W64 PolarHBondContact O-N 3.5Å; W64-H223 PolarHBondContact O-N 3.3Å; W64-C227 HydrophobicContact CD2-CB 4.35Å; W64-C227 HydrophobicContact CE3-CB 3.38Å; W64-C227 HydrophobicContact CH2-CB 3.29Å; W64-C227 WeakPolarHBondContact CH2-SG 3.3Å; W64-C227 HydrophobicContact CZ2-CB 4.26Å; W64-C227 HydrophobicContact CZ3-CB 2.82Å; W64-C227 WeakPolarHBondContact CZ3-SG 3.4Å |
| 65 | F | 77 | Confident | 76.8 | Confident | 70 Ų | 70 | 63 Ų | 63 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -142.9 | 137.5 | -172.8 | 179.9 | -109.5 | 0 | 0 | 0 | 108.7 | Y62 P67 F70 P221 | Y62-F65 WeakPolarHBondContact CB-O 3.39Å; F65-P67 HydrophobicContact CD1-CB 4.38Å; F65-P67 HydrophobicContact CD1-CG 3.84Å; F65-P67 HydrophobicContact CE1-CB 4.03Å; F65-P67 HydrophobicContact CE1-CG 4Å; F65-P67 VanDerWaalsContact O-CD 3.28Å; F65-P67 WeakPolarHBondContact O-CD 3.27Å; F65-F70 HydrophobicContact CE1-CB 4.3Å; F65-F70 HydrophobicContact CE2-CB 4.03Å; F65-F70 HydrophobicContact CE2-CD2 4.18Å; F65-F70 HydrophobicContact CE2-CG 4.06Å; F65-F70 HydrophobicContact CZ-CB 3.51Å; F65-F70 AromaticContact CZ-CD1 3.73Å; F65-F70 HydrophobicContact CZ-CD1 3.73Å; F65-F70 HydrophobicContact CZ-CD2 4.04Å; F65-F70 HydrophobicContact CZ-CE1 4.39Å; F65-F70 AromaticContact CZ-CG 3.5Å; F65-F70 HydrophobicContact CZ-CG 3.5Å; F65-F70 VanDerWaalsContact CZ-CG 3.5Å; F65-P221 CarbonylContact C-O 3.5Å; F65-P221 WeakPolarHBondContact CA-O 3.42Å; F65-P221 HydrophobicContact CD2-CB 4.39Å; F65-P221 HydrophobicContact CE2-CB 4.02Å |
| 66 | S | 82.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | trans | -105.6 | 97.5 | 172.1 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | T68 I69 F70 P221 H223 | S66-T68 PolarHBondContact O-N 2.96Å; S66-I69 PolarHBondContact O-N 3.43Å; S66-I69 WeakPolarHBondContact OG-CG1 3.38Å; S66-F70 PolarHBondContact O-N 3.32Å; S66-P221 PolarHBondContact N-O 3.37Å; S66-H223 WeakPolarHBondContact CB-NE2 3.42Å | ||
| 67 | P | 84.9 | Confident | 78.7 | Confident | 17 Ų | 17 | 45 Ų | 45 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -34.7 | 177.6 | -17.5 | 26.1 | 0 | 0 | 0 | 112.3 | E49 Y62 F65 F70 L71 | E49-P67 HydrophobicContact CG-CB 4.25Å; Y62-P67 HydrophobicContact CD2-CG 3.45Å; Y62-P67 VanDerWaalsContact CD2-CG 3.45Å; Y62-P67 HydrophobicContact CE2-CG 3.39Å; Y62-P67 HydrophobicContact CG-CG 4.5Å; F65-P67 HydrophobicContact CD1-CB 4.38Å; F65-P67 HydrophobicContact CD1-CG 3.84Å; F65-P67 HydrophobicContact CE1-CB 4.03Å; F65-P67 HydrophobicContact CE1-CG 4Å; F65-P67 VanDerWaalsContact O-CD 3.28Å; F65-P67 WeakPolarHBondContact O-CD 3.27Å; P67-F70 PolarHBondContact O-N 2.9Å; P67-L71 WeakPolarHBondContact O-CB 3.42Å; P67-L71 VanDerWaalsContact O-CG 3.24Å; P67-L71 WeakPolarHBondContact O-CG 3.37Å; P67-L71 PolarHBondContact O-N 3.48Å |
| 68 | T | 88.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 179.1 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | R13 F16 L46 E49 S66 F72 | R13-T68 HydrophobicContact CG-CG2 3.75Å; R13-T68 PolarHBondContact NH2-OG1 2.82Å; F16-T68 HydrophobicContact CD2-CG2 3.93Å; F16-T68 HydrophobicContact CE2-CG2 3.96Å; L46-T68 HydrophobicContact CD1-CG2 4.09Å; L46-T68 WeakPolarHBondContact CD1-O 3.35Å; E49-T68 PolarHBondContact OE1-OG1 2.91Å; E49-T68 PolarHBondContact OE2-OG1 3.43Å; S66-T68 PolarHBondContact O-N 2.96Å; T68-F72 VanDerWaalsContact O-CB 3.27Å; T68-F72 WeakPolarHBondContact O-CB 3.31Å; T68-F72 PolarHBondContact O-N 3.39Å |
| 69 | I | 89.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 177.5 | -62.3 | 175.6 | 0 | 0 | 0 | 110.3 | F16 S66 F72 L73 L154 K158 L161 F220 P221 | F16-I69 HydrophobicContact CE2-CG1 4.1Å; F16-I69 HydrophobicContact CZ-CG1 4.14Å; S66-I69 PolarHBondContact O-N 3.43Å; S66-I69 WeakPolarHBondContact OG-CG1 3.38Å; I69-F72 WeakPolarHBondContact O-CB 3.35Å; I69-F72 PolarHBondContact O-N 3.28Å; I69-L73 HydrophobicContact CG2-CD1 4.49Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 2.93Å; I69-L154 HydrophobicContact CG2-CD2 3.46Å; I69-L154 VanDerWaalsContact CG2-CD2 3.46Å; I69-K158 HydrophobicContact CD1-CB 4.22Å; I69-K158 HydrophobicContact CD1-CD 4.2Å; I69-L161 HydrophobicContact CD1-CD1 4.21Å; I69-L161 HydrophobicContact CG1-CD1 4.18Å; I69-F220 HydrophobicContact CG2-CB 4.12Å; I69-P221 HydrophobicContact CB-CB 4.43Å; I69-P221 HydrophobicContact CB-CG 4.4Å; I69-P221 HydrophobicContact CG2-CB 4.39Å; I69-P221 HydrophobicContact CG2-CG 3.91Å |
| 70 | F | 91.5 | Very high | 83.3 | Confident | 67 Ų | 67 | 35.2 Ų | 35.2 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 178.3 | -177.3 | -112.2 | 0 | 0 | 0 | 112.9 | F65 S66 P67 F72 L73 I74 L218 P221 | F65-F70 HydrophobicContact CE1-CB 4.3Å; F65-F70 HydrophobicContact CE2-CB 4.03Å; F65-F70 HydrophobicContact CE2-CD2 4.18Å; F65-F70 HydrophobicContact CE2-CG 4.06Å; F65-F70 HydrophobicContact CZ-CB 3.51Å; F65-F70 AromaticContact CZ-CD1 3.73Å; F65-F70 HydrophobicContact CZ-CD1 3.73Å; F65-F70 HydrophobicContact CZ-CD2 4.04Å; F65-F70 HydrophobicContact CZ-CE1 4.39Å; F65-F70 AromaticContact CZ-CG 3.5Å; F65-F70 HydrophobicContact CZ-CG 3.5Å; F65-F70 VanDerWaalsContact CZ-CG 3.5Å; S66-F70 PolarHBondContact O-N 3.32Å; P67-F70 PolarHBondContact O-N 2.9Å; F70-F72 VanDerWaalsContact C-N 3.3Å; F70-F72 PolarHBondContact O-N 2.95Å; F70-L73 PolarHBondContact O-N 3.33Å; F70-I74 HydrophobicContact CD1-CD1 3.75Å; F70-I74 HydrophobicContact CE1-CD1 3.33Å; F70-I74 HydrophobicContact CE1-CG1 4.45Å; F70-I74 HydrophobicContact CE2-CD1 4.27Å; F70-I74 HydrophobicContact CG-CD1 4.41Å; F70-I74 HydrophobicContact CZ-CD1 3.62Å; F70-I74 HydrophobicContact CZ-CG1 4.44Å; F70-I74 WeakPolarHBondContact O-CG1 3.34Å; F70-I74 PolarHBondContact O-N 3.29Å; F70-L218 HydrophobicContact CD2-CD2 4.07Å; F70-L218 HydrophobicContact CE2-CD2 3.74Å; F70-P221 HydrophobicContact CB-CB 3.77Å; F70-P221 HydrophobicContact CB-CG 3.98Å; F70-P221 HydrophobicContact CD2-CB 4.36Å; F70-P221 HydrophobicContact CD2-CG 4.17Å |
| 71 | L | 91.8 | Very high | 85 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 20% | 0.199 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | 178.5 | -68 | 174.9 | 0 | 0 | 0 | 111.5 | P45 L46 E49 P67 I74 S75 | P45-L71 HydrophobicContact CB-CD1 4.34Å; P45-L71 HydrophobicContact CB-CD2 3.95Å; L46-L71 HydrophobicContact CD1-CB 3.82Å; E49-L71 HydrophobicContact CB-CD1 3.61Å; E49-L71 HydrophobicContact CG-CD1 3.95Å; P67-L71 WeakPolarHBondContact O-CB 3.42Å; P67-L71 VanDerWaalsContact O-CG 3.24Å; P67-L71 WeakPolarHBondContact O-CG 3.37Å; P67-L71 PolarHBondContact O-N 3.48Å; L71-I74 PolarHBondContact O-N 3.26Å; L71-S75 PolarHBondContact O-N 2.93Å; L71-S75 VanDerWaalsContact O-N 3.09Å |
| 72 | F | 93.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -47 | 172 | 164.6 | -115.9 | 0 | 0 | 0 | 111.6 | F16 L19 S20 L46 T68 I69 F70 I74 S75 I76 L150 L153 L154 | F16-F72 HydrophobicContact CB-CB 4.22Å; F16-F72 HydrophobicContact CB-CD2 3.55Å; F16-F72 HydrophobicContact CB-CE2 4.06Å; F16-F72 HydrophobicContact CB-CG 3.87Å; F16-F72 AromaticContact CD1-CD1 3.96Å; F16-F72 HydrophobicContact CD1-CD1 3.96Å; F16-F72 HydrophobicContact CD1-CD2 4.22Å; F16-F72 HydrophobicContact CD1-CE1 4.02Å; F16-F72 HydrophobicContact CD1-CE2 4.28Å; F16-F72 HydrophobicContact CD1-CG 4.06Å; F16-F72 HydrophobicContact CD1-CZ 4.19Å; F16-F72 HydrophobicContact CD2-CB 3.85Å; F16-F72 HydrophobicContact CD2-CD1 4.3Å; F16-F72 AromaticContact CD2-CG 3.96Å; F16-F72 HydrophobicContact CD2-CG 3.96Å; F16-F72 HydrophobicContact CE1-CD1 4.11Å; F16-F72 HydrophobicContact CE1-CE1 4.19Å; F16-F72 HydrophobicContact CE2-CB 4.39Å; F16-F72 HydrophobicContact CE2-CD1 4.44Å; F16-F72 HydrophobicContact CG-CB 4.08Å; F16-F72 HydrophobicContact CG-CD1 4.07Å; F16-F72 AromaticContact CG-CD2 3.88Å; F16-F72 HydrophobicContact CG-CD2 3.88Å; F16-F72 HydrophobicContact CG-CE2 4.35Å; F16-F72 AromaticContact CG-CG 3.72Å; F16-F72 HydrophobicContact CG-CG 3.72Å; F16-F72 HydrophobicContact CZ-CD1 4.36Å; F16-F72 WeakPolarHBondContact O-CE2 3.34Å; L19-F72 HydrophobicContact CD2-CZ 4.04Å; S20-F72 WeakPolarHBondContact OG-CD2 3.42Å; S20-F72 VanDerWaalsContact OG-CE2 3.31Å; S20-F72 WeakPolarHBondContact OG-CE2 3.46Å; L46-F72 HydrophobicContact CD1-CB 4.37Å; T68-F72 VanDerWaalsContact O-CB 3.27Å; T68-F72 WeakPolarHBondContact O-CB 3.31Å; T68-F72 PolarHBondContact O-N 3.39Å; I69-F72 WeakPolarHBondContact O-CB 3.35Å; I69-F72 PolarHBondContact O-N 3.28Å; F70-F72 VanDerWaalsContact C-N 3.3Å; F70-F72 PolarHBondContact O-N 2.95Å; F72-I74 PolarHBondContact O-N 3.47Å; F72-S75 PolarHBondContact O-N 2.89Å; F72-S75 PolarHBondContact O-OG 3.39Å; F72-I76 HydrophobicContact CD2-CG2 4.49Å; F72-I76 HydrophobicContact CE1-CG2 4.41Å; F72-I76 HydrophobicContact CE2-CB 4.14Å; F72-I76 HydrophobicContact CE2-CD1 4Å; F72-I76 HydrophobicContact CE2-CG2 4.05Å; F72-I76 HydrophobicContact CZ-CB 4.47Å; F72-I76 HydrophobicContact CZ-CD1 3.98Å; F72-I76 HydrophobicContact CZ-CG2 4Å; F72-I76 WeakPolarHBondContact O-CG2 3.48Å; F72-I76 PolarHBondContact O-N 3.32Å; F72-L150 HydrophobicContact CE1-CD1 3.42Å; F72-L150 VanDerWaalsContact CE1-CD1 3.42Å; F72-L150 HydrophobicContact CZ-CD1 3.5Å; F72-L150 VanDerWaalsContact CZ-CD1 3.5Å; F72-L153 HydrophobicContact CZ-CD2 4.34Å; F72-L154 HydrophobicContact CD1-CD2 3.82Å; F72-L154 HydrophobicContact CE1-CD2 3.71Å; F72-L154 HydrophobicContact CE1-CG 4.25Å |
| 73 | L | 93.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 176.2 | -74.3 | 179.5 | 0 | 0 | 0 | 112.2 | I69 F70 S75 I76 I77 L150 L154 M217 P221 | I69-L73 HydrophobicContact CG2-CD1 4.49Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 2.93Å; F70-L73 PolarHBondContact O-N 3.33Å; L73-S75 PolarHBondContact O-N 3.27Å; L73-I76 PolarHBondContact O-N 2.88Å; L73-I77 HydrophobicContact CB-CD1 3.87Å; L73-I77 HydrophobicContact CB-CG1 4.5Å; L73-I77 HydrophobicContact CD2-CD1 4.19Å; L73-I77 HydrophobicContact CD2-CG1 4.49Å; L73-I77 HydrophobicContact CG-CD1 4.5Å; L73-I77 VanDerWaalsContact O-CB 3.25Å; L73-I77 WeakPolarHBondContact O-CB 3.3Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.5Å; L73-L150 HydrophobicContact CD2-CD1 4.27Å; L73-L154 HydrophobicContact CD2-CD1 4.09Å; L73-L154 HydrophobicContact CD2-CD2 4.08Å; L73-L154 HydrophobicContact CG-CD2 4.41Å; L73-M217 HydrophobicContact CD1-CB 4.08Å; L73-M217 WeakPolarHBondContact CD1-O 3.39Å; L73-M217 HydrophobicContact CD2-CB 4.21Å; L73-P221 HydrophobicContact CD1-CG 3.57Å |
| 74 | I | 92.5 | Very high | 89.1 | Confident | 71 Ų | 71 | 27.8 Ų | 27.8 | 36% | 0.364 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -55.9 | -35 | 175.4 | -71.5 | 170.7 | 0 | 0 | 0 | 111.4 | L42 F70 L71 F72 P78 | L42-I74 HydrophobicContact CD2-CG2 4.28Å; F70-I74 HydrophobicContact CD1-CD1 3.75Å; F70-I74 HydrophobicContact CE1-CD1 3.33Å; F70-I74 HydrophobicContact CE1-CG1 4.45Å; F70-I74 HydrophobicContact CE2-CD1 4.27Å; F70-I74 HydrophobicContact CG-CD1 4.41Å; F70-I74 HydrophobicContact CZ-CD1 3.62Å; F70-I74 HydrophobicContact CZ-CG1 4.44Å; F70-I74 WeakPolarHBondContact O-CG1 3.34Å; F70-I74 PolarHBondContact O-N 3.29Å; L71-I74 PolarHBondContact O-N 3.26Å; F72-I74 PolarHBondContact O-N 3.47Å; I74-P78 WeakPolarHBondContact O-CD 3.42Å; I74-P78 WeakPolarHBondContact O-CG 3.44Å |
| 75 | S | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -78 | -37 | -178.8 | 75.6 | 0 | 0 | 0 | 0 | 114.3 | S20 L71 F72 L73 | S20-S75 PolarHBondContact OG-OG 3.44Å; L71-S75 PolarHBondContact O-N 2.93Å; L71-S75 VanDerWaalsContact O-N 3.09Å; F72-S75 PolarHBondContact O-N 2.89Å; F72-S75 PolarHBondContact O-OG 3.39Å; L73-S75 PolarHBondContact O-N 3.27Å |
| 76 | I | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -93.1 | -34.5 | -173.5 | -165.2 | 165.8 | 0 | 0 | 0 | 113.5 | L19 A23 F72 L73 S79 I80 L146 L150 | L19-I76 HydrophobicContact CD2-CD1 3.81Å; L19-I76 HydrophobicContact CG-CD1 3.71Å; A23-I76 HydrophobicContact CB-CD1 4.38Å; A23-I76 HydrophobicContact CB-CG1 4.07Å; F72-I76 HydrophobicContact CD2-CG2 4.49Å; F72-I76 HydrophobicContact CE1-CG2 4.41Å; F72-I76 HydrophobicContact CE2-CB 4.14Å; F72-I76 HydrophobicContact CE2-CD1 4Å; F72-I76 HydrophobicContact CE2-CG2 4.05Å; F72-I76 HydrophobicContact CZ-CB 4.47Å; F72-I76 HydrophobicContact CZ-CD1 3.98Å; F72-I76 HydrophobicContact CZ-CG2 4Å; F72-I76 WeakPolarHBondContact O-CG2 3.48Å; F72-I76 PolarHBondContact O-N 3.32Å; L73-I76 PolarHBondContact O-N 2.88Å; I76-S79 WeakPolarHBondContact O-CB 3.46Å; I76-S79 PolarHBondContact O-N 2.9Å; I76-I80 HydrophobicContact CG1-CD1 4Å; I76-I80 HydrophobicContact CG1-CG1 4.32Å; I76-I80 PolarHBondContact O-N 3.49Å; I76-I80 VanDerWaalsContact O-N 3.17Å; I76-L146 HydrophobicContact CD1-CD2 4.15Å; I76-L150 HydrophobicContact CD1-CD1 4.29Å; I76-L150 HydrophobicContact CG2-CD1 3.92Å |
| 77 | I | 94.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 22.7 Ų | 22.7 | 9% | 0.087 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.9 | -47.5 | -176.4 | -73.1 | 173.5 | 0 | 0 | 0 | 112.4 | L73 S79 I80 W81 W213 T214 M217 | L73-I77 HydrophobicContact CB-CD1 3.87Å; L73-I77 HydrophobicContact CB-CG1 4.5Å; L73-I77 HydrophobicContact CD2-CD1 4.19Å; L73-I77 HydrophobicContact CD2-CG1 4.49Å; L73-I77 HydrophobicContact CG-CD1 4.5Å; L73-I77 VanDerWaalsContact O-CB 3.25Å; L73-I77 WeakPolarHBondContact O-CB 3.3Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.5Å; I77-S79 PolarHBondContact O-N 3.33Å; I77-I80 PolarHBondContact O-N 3.33Å; I77-I80 VanDerWaalsContact O-N 3.13Å; I77-W81 VanDerWaalsContact O-CD1 3.28Å; I77-W81 PolarHBondContact O-N 3.31Å; I77-W213 HydrophobicContact CB-CZ3 4.4Å; I77-W213 HydrophobicContact CG1-CH2 4.03Å; I77-W213 HydrophobicContact CG1-CZ3 3.95Å; I77-W213 HydrophobicContact CG2-CZ3 4.08Å; I77-T214 HydrophobicContact CD1-CG2 4.12Å; I77-T214 HydrophobicContact CG2-CG2 3.94Å; I77-M217 HydrophobicContact CD1-CB 4.29Å |
| 78 | P | 93.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 22.2 Ų | 22.2 | 29% | 0.292 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -59.3 | -35.8 | 177.6 | -25.5 | 35.8 | 0 | 0 | 0 | 113 | L39 L42 I74 W81 I82 | L39-P78 HydrophobicContact CD2-CB 4.05Å; L42-P78 HydrophobicContact CD1-CG 4.21Å; I74-P78 WeakPolarHBondContact O-CD 3.42Å; I74-P78 WeakPolarHBondContact O-CG 3.44Å; P78-W81 PolarHBondContact O-N 2.96Å; P78-I82 VanDerWaalsContact O-CD1 3.31Å; P78-I82 WeakPolarHBondContact O-CD1 3.46Å; P78-I82 WeakPolarHBondContact O-CG1 3.41Å; P78-I82 PolarHBondContact O-N 2.98Å; P78-I82 VanDerWaalsContact O-N 3.08Å |
| 79 | S | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | V24 V27 L39 I76 I77 I82 L83 | V24-S79 WeakPolarHBondContact CG2-OG 3.46Å; V27-S79 WeakPolarHBondContact CG2-O 3.23Å; L39-S79 WeakPolarHBondContact CD2-OG 3.13Å; I76-S79 WeakPolarHBondContact O-CB 3.46Å; I76-S79 PolarHBondContact O-N 2.9Å; I77-S79 PolarHBondContact O-N 3.33Å; S79-I82 PolarHBondContact O-N 3.46Å; S79-L83 WeakPolarHBondContact O-CD1 3.4Å; S79-L83 WeakPolarHBondContact O-CG 3.47Å; S79-L83 PolarHBondContact O-N 3.21Å; S79-L83 VanDerWaalsContact O-N 3.11Å |
| 80 | I | 91.8 | Very high | 90 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 178.7 | -65 | 170.6 | 0 | 0 | 0 | 110.7 | I76 I77 I82 L83 E84 L146 H147 L150 W213 | I76-I80 HydrophobicContact CG1-CD1 4Å; I76-I80 HydrophobicContact CG1-CG1 4.32Å; I76-I80 PolarHBondContact O-N 3.49Å; I76-I80 VanDerWaalsContact O-N 3.17Å; I77-I80 PolarHBondContact O-N 3.33Å; I77-I80 VanDerWaalsContact O-N 3.13Å; I80-I82 VanDerWaalsContact C-N 3.33Å; I80-I82 PolarHBondContact O-N 3.26Å; I80-L83 PolarHBondContact O-N 3.28Å; I80-E84 PolarHBondContact O-N 2.92Å; I80-L146 HydrophobicContact CD1-CD2 3.4Å; I80-L146 VanDerWaalsContact CD1-CD2 3.4Å; I80-L146 HydrophobicContact CG1-CD1 4.4Å; I80-L146 HydrophobicContact CG1-CD2 3.44Å; I80-L146 VanDerWaalsContact CG1-CD2 3.44Å; I80-H147 WeakPolarHBondContact CG2-NE2 3.01Å; I80-L150 HydrophobicContact CD1-CD2 3.65Å; I80-W213 HydrophobicContact CB-CH2 4.33Å; I80-W213 HydrophobicContact CD1-CH2 3.69Å; I80-W213 HydrophobicContact CD1-CZ2 4.23Å; I80-W213 HydrophobicContact CG2-CH2 4.06Å; I80-W213 HydrophobicContact CG2-CZ3 4.37Å |
| 81 | W | 93.9 | Very high | 89.3 | Confident | 63 Ų | 63 | 29.1 Ų | 29.1 | 24% | 0.239 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.3 | -48 | 175 | -87.8 | 59.1 | 0 | 0 | 0 | 112.1 | I77 P78 L83 E84 L85 Y207 L210 T214 | I77-W81 VanDerWaalsContact O-CD1 3.28Å; I77-W81 PolarHBondContact O-N 3.31Å; P78-W81 PolarHBondContact O-N 2.96Å; W81-L83 VanDerWaalsContact C-N 3.31Å; W81-L83 PolarHBondContact O-N 3.32Å; W81-E84 PolarHBondContact O-N 2.96Å; W81-L85 HydrophobicContact CE3-CD1 4.27Å; W81-L85 WeakPolarHBondContact O-CB 3.39Å; W81-L85 VanDerWaalsContact O-CG 3.23Å; W81-L85 WeakPolarHBondContact O-CG 3.38Å; W81-L85 PolarHBondContact O-N 3.38Å; W81-Y207 HydrophobicContact CE3-CD1 4.41Å; W81-Y207 AromaticContact CZ3-CD1 3.8Å; W81-Y207 HydrophobicContact CZ3-CD1 3.8Å; W81-Y207 HydrophobicContact CZ3-CE1 4.34Å; W81-L210 HydrophobicContact CD2-CB 4.05Å; W81-L210 HydrophobicContact CD2-CD1 4.22Å; W81-L210 HydrophobicContact CE3-CD1 4.49Å; W81-L210 HydrophobicContact CG-CD1 4.35Å; W81-L210 HydrophobicContact CH2-CB 4.19Å; W81-L210 HydrophobicContact CZ2-CB 3.7Å; W81-L210 WeakPolarHBondContact CZ2-O 3.35Å; W81-T214 PolarHBondContact NE1-OG1 3.42Å |
| 82 | I | 91.7 | Very high | 88.6 | Confident | 33 Ų | 33 | 27.9 Ų | 27.9 | 17% | 0.169 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | -179 | -66.4 | 159.4 | 0 | 0 | 0 | 111.2 | V27 K31 Y36 L39 P78 S79 I80 H86 | V27-I82 HydrophobicContact CG1-CB 4.35Å; V27-I82 HydrophobicContact CG1-CD1 4.49Å; V27-I82 HydrophobicContact CG1-CG2 3.69Å; V27-I82 HydrophobicContact CG2-CB 4.47Å; K31-I82 HydrophobicContact CG-CG2 4.21Å; Y36-I82 HydrophobicContact CD1-CD1 3.9Å; Y36-I82 HydrophobicContact CD1-CG2 4.36Å; Y36-I82 HydrophobicContact CE1-CD1 3.79Å; Y36-I82 HydrophobicContact CE1-CG1 4.3Å; Y36-I82 HydrophobicContact CE1-CG2 3.77Å; L39-I82 HydrophobicContact CD1-CD1 4.1Å; L39-I82 HydrophobicContact CD2-CD1 3.97Å; P78-I82 VanDerWaalsContact O-CD1 3.31Å; P78-I82 WeakPolarHBondContact O-CD1 3.46Å; P78-I82 WeakPolarHBondContact O-CG1 3.41Å; P78-I82 PolarHBondContact O-N 2.98Å; P78-I82 VanDerWaalsContact O-N 3.08Å; S79-I82 PolarHBondContact O-N 3.46Å; I80-I82 VanDerWaalsContact C-N 3.33Å; I80-I82 PolarHBondContact O-N 3.26Å; I82-H86 VanDerWaalsContact O-CB 3.23Å; I82-H86 WeakPolarHBondContact O-CB 3.48Å; I82-H86 PolarHBondContact O-N 3.27Å; I82-H86 VanDerWaalsContact O-N 3.08Å |
| 83 | L | 89.8 | Confident | 87.7 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -47.5 | 177.4 | -77.3 | 160 | 0 | 0 | 0 | 111.5 | R26 V27 V30 S79 I80 W81 H86 H87 I143 L146 | R26-L83 HydrophobicContact CB-CD2 4.37Å; V27-L83 HydrophobicContact CG2-CD1 3.98Å; V27-L83 HydrophobicContact CG2-CD2 4.34Å; V27-L83 HydrophobicContact CG2-CG 3.76Å; V30-L83 HydrophobicContact CB-CD2 4.48Å; V30-L83 HydrophobicContact CG2-CD2 4.15Å; S79-L83 WeakPolarHBondContact O-CD1 3.4Å; S79-L83 WeakPolarHBondContact O-CG 3.47Å; S79-L83 PolarHBondContact O-N 3.21Å; S79-L83 VanDerWaalsContact O-N 3.11Å; I80-L83 PolarHBondContact O-N 3.28Å; W81-L83 VanDerWaalsContact C-N 3.31Å; W81-L83 PolarHBondContact O-N 3.32Å; L83-H86 PolarHBondContact O-N 3.25Å; L83-H87 WeakPolarHBondContact O-CB 3.26Å; L83-H87 PolarHBondContact O-N 3.05Å; L83-I143 HydrophobicContact CB-CD1 4.48Å; L83-I143 HydrophobicContact CB-CG1 4.39Å; L83-L146 HydrophobicContact CD1-CD1 3.81Å |
| 84 | E | 89.1 | Confident | 86.8 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -49.3 | -178.6 | -169.7 | 58.3 | -119.3 | 0 | 0 | 111.4 | I80 W81 H86 H87 Q88 I143 L194 V206 L210 | I80-E84 PolarHBondContact O-N 2.92Å; W81-E84 PolarHBondContact O-N 2.96Å; E84-H86 PolarHBondContact O-N 3.18Å; E84-H87 WeakPolarHBondContact O-CB 3.35Å; E84-H87 PolarHBondContact O-N 3.35Å; E84-Q88 WeakPolarHBondContact O-CG 3.42Å; E84-Q88 PolarHBondContact O-N 3.1Å; E84-Q88 PolarHBondContact OE1-NE2 2.88Å; E84-I143 WeakPolarHBondContact OE2-CG2 3.43Å; E84-L194 VanDerWaalsContact CD-CD2 3.43Å; E84-L194 HydrophobicContact CG-CD1 3.98Å; E84-L194 HydrophobicContact CG-CD2 4.15Å; E84-L194 VanDerWaalsContact OE1-CD2 3.24Å; E84-L194 WeakPolarHBondContact OE1-CD2 3.3Å; E84-V206 HydrophobicContact CG-CG1 4.3Å; E84-L210 HydrophobicContact CB-CD1 4Å; E84-L210 HydrophobicContact CB-CD2 4.32Å; E84-L210 HydrophobicContact CG-CD1 3.98Å; E84-L210 HydrophobicContact CG-CD2 4.15Å; E84-L210 HydrophobicContact CG-CG 4.42Å |
| 85 | L | 89 | Confident | 85.8 | Confident | 39 Ų | 39 | 36.4 Ų | 36.4 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -35.4 | 178.6 | -68.2 | 171.8 | 0 | 0 | 0 | 112.3 | W81 Q89 V206 Y207 L210 | W81-L85 HydrophobicContact CE3-CD1 4.27Å; W81-L85 WeakPolarHBondContact O-CB 3.39Å; W81-L85 VanDerWaalsContact O-CG 3.23Å; W81-L85 WeakPolarHBondContact O-CG 3.38Å; W81-L85 PolarHBondContact O-N 3.38Å; L85-Q89 WeakPolarHBondContact O-CB 3.29Å; L85-Q89 PolarHBondContact O-N 2.94Å; L85-V206 HydrophobicContact CD2-CG1 4.07Å; L85-Y207 HydrophobicContact CD1-CD1 4.28Å; L85-Y207 HydrophobicContact CD1-CE1 3.44Å; L85-Y207 VanDerWaalsContact CD1-CE1 3.44Å; L85-Y207 HydrophobicContact CD2-CD1 3.98Å; L85-Y207 HydrophobicContact CD2-CD2 4.39Å; L85-Y207 HydrophobicContact CD2-CE1 3.56Å; L85-Y207 HydrophobicContact CD2-CE2 3.98Å; L85-Y207 HydrophobicContact CD2-CG 4.38Å; L85-Y207 HydrophobicContact CG-CE1 4.15Å; L85-L210 HydrophobicContact CD2-CD1 4.32Å; L85-L210 HydrophobicContact CG-CD1 4.27Å |
| 86 | H | 87.4 | Confident | 84.9 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.7 | -39 | 174.7 | -175.4 | 64.1 | 0 | 0 | 0 | 112.7 | V30 K31 I82 L83 E84 Q88 Q89 N90 | V30-H86 WeakPolarHBondContact CG1-CD2 3.45Å; V30-H86 VanDerWaalsContact CG1-NE2 3.32Å; V30-H86 WeakPolarHBondContact CG1-NE2 3.22Å; K31-H86 HydrophobicContact CD-CB 4.47Å; K31-H86 PolarHBondContact NZ-ND1 3.45Å; I82-H86 VanDerWaalsContact O-CB 3.23Å; I82-H86 WeakPolarHBondContact O-CB 3.48Å; I82-H86 PolarHBondContact O-N 3.27Å; I82-H86 VanDerWaalsContact O-N 3.08Å; L83-H86 PolarHBondContact O-N 3.25Å; E84-H86 PolarHBondContact O-N 3.18Å; H86-Q88 VanDerWaalsContact C-N 3.3Å; H86-Q88 PolarHBondContact O-N 2.94Å; H86-Q89 PolarHBondContact O-N 3.44Å; H86-N90 PolarHBondContact CD2-ND2 3.34Å; H86-N90 PolarHBondContact CE1-ND2 2.94Å; H86-N90 PolarHBondContact CE1-OD1 3.23Å; H86-N90 PolarHBondContact NE2-ND2 3.46Å; H86-N90 PolarHBondContact O-N 2.94Å; H86-N90 VanDerWaalsContact O-N 3.1Å |
| 87 | H | 83.8 | Confident | 83.9 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 175.3 | -175.8 | 80 | 0 | 0 | 0 | 110.9 | L83 E84 N90 R91 D140 I143 | L83-H87 WeakPolarHBondContact O-CB 3.26Å; L83-H87 PolarHBondContact O-N 3.05Å; E84-H87 WeakPolarHBondContact O-CB 3.35Å; E84-H87 PolarHBondContact O-N 3.35Å; H87-N90 PolarHBondContact O-N 2.79Å; H87-R91 WeakPolarHBondContact NE2-CD 3.27Å; H87-R91 PolarHBondContact NE2-NE 3.41Å; H87-R91 PolarHBondContact O-N 3.17Å; H87-D140 IonicContact CE1-OD1 3.31Å; H87-D140 PolarHBondContact CE1-OD1 3.47Å; H87-D140 IonicContact ND1-OD1 3.55Å; H87-D140 IonicContact NE2-OD1 2.66Å; H87-D140 PolarHBondContact NE2-OD1 3.2Å; H87-I143 HydrophobicContact CB-CD1 3.66Å |
| 88 | Q | 81.5 | Confident | 82.8 | Confident | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 176 | -61.2 | -46 | -44.9 | 0 | 0 | 113.1 | E84 H86 N90 R91 E92 N198 V206 | E84-Q88 WeakPolarHBondContact O-CG 3.42Å; E84-Q88 PolarHBondContact O-N 3.1Å; E84-Q88 PolarHBondContact OE1-NE2 2.88Å; H86-Q88 VanDerWaalsContact C-N 3.3Å; H86-Q88 PolarHBondContact O-N 2.94Å; Q88-N90 VanDerWaalsContact C-N 3.26Å; Q88-N90 PolarHBondContact O-N 3.04Å; Q88-R91 PolarHBondContact O-N 2.82Å; Q88-E92 PolarHBondContact O-N 3.3Å; Q88-N198 VanDerWaalsContact CD-CG 3.44Å; Q88-N198 PolarHBondContact NE2-ND2 3.4Å; Q88-N198 PolarHBondContact NE2-OD1 3.23Å; Q88-N198 PolarHBondContact OE1-OD1 2.87Å; Q88-N198 VanDerWaalsContact OE1-OD1 3.04Å; Q88-V206 HydrophobicContact CG-CB 4.49Å; Q88-V206 HydrophobicContact CG-CG1 3.96Å; Q88-V206 HydrophobicContact CG-CG2 3.93Å |
| 89 | Q | 83.5 | Confident | 81.7 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -37 | -179.8 | -174.5 | -179.7 | -15 | 0 | 0 | 112.4 | L85 H86 E92 Q93 | L85-Q89 WeakPolarHBondContact O-CB 3.29Å; L85-Q89 PolarHBondContact O-N 2.94Å; H86-Q89 PolarHBondContact O-N 3.44Å; Q89-E92 WeakPolarHBondContact O-CB 3.17Å; Q89-Q93 WeakPolarHBondContact O-CG 2.91Å; Q89-Q93 PolarHBondContact O-N 2.84Å |
| 90 | N | 80.3 | Confident | 80.5 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 32% | 0.316 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 177.9 | -68.9 | -13.6 | 0 | 0 | 0 | 111.6 | H86 H87 Q88 E92 Q93 D94 | H86-N90 PolarHBondContact CD2-ND2 3.34Å; H86-N90 PolarHBondContact CE1-ND2 2.94Å; H86-N90 PolarHBondContact CE1-OD1 3.23Å; H86-N90 PolarHBondContact NE2-ND2 3.46Å; H86-N90 PolarHBondContact O-N 2.94Å; H86-N90 VanDerWaalsContact O-N 3.1Å; H87-N90 PolarHBondContact O-N 2.79Å; Q88-N90 VanDerWaalsContact C-N 3.26Å; Q88-N90 PolarHBondContact O-N 3.04Å; N90-E92 VanDerWaalsContact C-N 3.3Å; N90-E92 PolarHBondContact O-N 2.91Å; N90-Q93 PolarHBondContact O-N 3.19Å; N90-D94 PolarHBondContact O-N 3.01Å |
| 91 | R | 76 | Confident | 79.2 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 28% | 0.275 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 174.8 | -80.2 | -178.7 | 141.7 | -121.9 | 2.8 | 112.3 | H87 Q88 Q93 D94 G95 D140 N198 | H87-R91 WeakPolarHBondContact NE2-CD 3.27Å; H87-R91 PolarHBondContact NE2-NE 3.41Å; H87-R91 PolarHBondContact O-N 3.17Å; Q88-R91 PolarHBondContact O-N 2.82Å; R91-Q93 VanDerWaalsContact C-N 3.34Å; R91-Q93 PolarHBondContact O-N 3.01Å; R91-D94 PolarHBondContact O-N 3.45Å; R91-G95 PolarHBondContact O-N 3.23Å; R91-D140 IonicContact NH2-OD2 3.64Å; R91-N198 PolarHBondContact NH1-O 2.94Å |
| 92 | E | 76.3 | Confident | 77.7 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 175.8 | -83.9 | -170.5 | -140.2 | 0 | 0 | 113.5 | Q88 Q89 N90 K96 N201 R203 | Q88-E92 PolarHBondContact O-N 3.3Å; Q89-E92 WeakPolarHBondContact O-CB 3.17Å; N90-E92 VanDerWaalsContact C-N 3.3Å; N90-E92 PolarHBondContact O-N 2.91Å; E92-K96 WeakPolarHBondContact O-CG 3.24Å; E92-K96 PolarHBondContact O-N 3.4Å; E92-K96 VanDerWaalsContact O-N 3.08Å; E92-N201 VanDerWaalsContact CG-CG 3.44Å; E92-N201 WeakPolarHBondContact CG-ND2 2.88Å; E92-N201 WeakPolarHBondContact CG-OD1 3.06Å; E92-R203 WeakPolarHBondContact OE1-CD 3.47Å; E92-R203 WeakPolarHBondContact OE1-CG 3.42Å; E92-R203 IonicContact OE1-CZ 3.75Å; E92-R203 IonicContact OE1-NE 2.77Å; E92-R203 PolarHBondContact OE1-NE 3.05Å; E92-R203 IonicContact OE1-NH2 3.9Å; E92-R203 IonicContact OE2-CZ 3.09Å; E92-R203 IonicContact OE2-NE 2.84Å; E92-R203 PolarHBondContact OE2-NE 3.06Å; E92-R203 IonicContact OE2-NH2 2.62Å; E92-R203 PolarHBondContact OE2-NH2 3.29Å |
| 93 | Q | 76 | Confident | 76.2 | Confident | 101 Ų | 101 | 72.9 Ų | 72.9 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.9 | -46 | 179.6 | -71.5 | 178.7 | -2.3 | 0 | 0 | 110.7 | Q89 N90 R91 G95 K96 V97 | Q89-Q93 WeakPolarHBondContact O-CG 2.91Å; Q89-Q93 PolarHBondContact O-N 2.84Å; N90-Q93 PolarHBondContact O-N 3.19Å; R91-Q93 VanDerWaalsContact C-N 3.34Å; R91-Q93 PolarHBondContact O-N 3.01Å; Q93-G95 VanDerWaalsContact C-N 3.33Å; Q93-G95 PolarHBondContact O-N 3.41Å; Q93-K96 PolarHBondContact O-N 2.96Å; Q93-V97 WeakPolarHBondContact O-CG2 3.49Å; Q93-V97 PolarHBondContact O-N 3.38Å |
| 94 | D | 74.4 | Confident | 74.9 | Confident | 110 Ų | 110 | 77 Ų | 77 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.7 | -41.4 | 177.1 | -72.6 | -16.4 | 0 | 0 | 0 | 111.7 | N90 R91 V97 A98 | N90-D94 PolarHBondContact O-N 3.01Å; R91-D94 PolarHBondContact O-N 3.45Å; D94-V97 PolarHBondContact O-N 3.27Å; D94-A98 WeakPolarHBondContact O-CB 3.44Å; D94-A98 PolarHBondContact O-N 3.38Å |
| 95 | G | 71.4 | Confident | 73.4 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 43% | 0.433 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R91 Q93 A98 K99 | R91-G95 PolarHBondContact O-N 3.23Å; Q93-G95 VanDerWaalsContact C-N 3.33Å; Q93-G95 PolarHBondContact O-N 3.41Å; G95-A98 PolarHBondContact O-N 3.19Å; G95-K99 WeakPolarHBondContact O-CB 3.3Å; G95-K99 PolarHBondContact O-N 3.06Å |
| 96 | K | 72.8 | Confident | 71.9 | Confident | 135 Ų | 135 | 80.3 Ų | 80.3 | 59% | 0.587 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 175.6 | -73.6 | 176.6 | -175.9 | -179.9 | 0 | 111.8 | E92 Q93 K99 A100 | E92-K96 WeakPolarHBondContact O-CG 3.24Å; E92-K96 PolarHBondContact O-N 3.4Å; E92-K96 VanDerWaalsContact O-N 3.08Å; Q93-K96 PolarHBondContact O-N 2.96Å; K96-K99 PolarHBondContact O-N 2.83Å; K96-A100 WeakPolarHBondContact O-CB 3.49Å; K96-A100 PolarHBondContact O-N 3.48Å |
| 97 | V | 73.6 | Confident | 70.5 | Confident | 97 Ų | 97 | 81.7 Ų | 81.7 | 59% | 0.588 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | Q93 D94 A100 R101 | Q93-V97 WeakPolarHBondContact O-CG2 3.49Å; Q93-V97 PolarHBondContact O-N 3.38Å; D94-V97 PolarHBondContact O-N 3.27Å; V97-A100 PolarHBondContact O-N 3.04Å; V97-R101 WeakPolarHBondContact O-CB 3.18Å; V97-R101 PolarHBondContact O-N 3.42Å |
| 98 | A | 70.8 | Confident | 69 | Low | 48 Ų | 48 | 86.7 Ų | 86.7 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D94 G95 R101 N102 | D94-A98 WeakPolarHBondContact O-CB 3.44Å; D94-A98 PolarHBondContact O-N 3.38Å; G95-A98 PolarHBondContact O-N 3.19Å; A98-R101 PolarHBondContact O-N 3.36Å; A98-N102 PolarHBondContact O-N 3.36Å |
| 99 | K | 70.9 | Confident | 67.7 | Low | 169 Ų | 169 | 89.8 Ų | 89.8 | 74% | 0.735 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 176.9 | -166.6 | 173.9 | -177.5 | 177.5 | 0 | 112 | G95 K96 N102 H103 | G95-K99 WeakPolarHBondContact O-CB 3.3Å; G95-K99 PolarHBondContact O-N 3.06Å; K96-K99 PolarHBondContact O-N 2.83Å; K99-N102 PolarHBondContact O-N 2.96Å; K99-H103 PolarHBondContact O-N 2.91Å; K99-H103 VanDerWaalsContact O-N 3.09Å |
| 100 | A | 67.2 | Low | 66.3 | Low | 54 Ų | 54 | 92 Ų | 92 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K96 V97 H103 N104 | K96-A100 WeakPolarHBondContact O-CB 3.49Å; K96-A100 PolarHBondContact O-N 3.48Å; V97-A100 PolarHBondContact O-N 3.04Å; A100-H103 PolarHBondContact O-N 3.42Å; A100-N104 PolarHBondContact O-N 2.87Å; A100-N104 VanDerWaalsContact O-N 3.17Å |
| 101 | R | 64.8 | Low | 65 | Low | 183 Ų | 183 | 93 Ų | 93 | 69% | 0.691 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 176.2 | -164.5 | 177 | -160.8 | 159.4 | 5.3 | 112.1 | V97 A98 H103 N104 V105 | V97-R101 WeakPolarHBondContact O-CB 3.18Å; V97-R101 PolarHBondContact O-N 3.42Å; A98-R101 PolarHBondContact O-N 3.36Å; R101-H103 VanDerWaalsContact C-N 3.32Å; R101-H103 PolarHBondContact O-N 2.9Å; R101-N104 PolarHBondContact O-N 2.93Å; R101-V105 HydrophobicContact CG-CG2 4.38Å; R101-V105 WeakPolarHBondContact O-CB 3.35Å; R101-V105 VanDerWaalsContact O-CG2 3.25Å; R101-V105 WeakPolarHBondContact O-CG2 3.16Å; R101-V105 PolarHBondContact O-N 3.27Å |
| 102 | N | 62.7 | Low | 63.6 | Low | 109 Ų | 109 | 96.2 Ų | 96.2 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.9 | -35.9 | 177.9 | -74.1 | -12.8 | 0 | 0 | 0 | 112.3 | A98 K99 V105 S106 | A98-N102 PolarHBondContact O-N 3.36Å; K99-N102 PolarHBondContact O-N 2.96Å; N102-V105 PolarHBondContact O-N 3.31Å; N102-S106 WeakPolarHBondContact O-CB 3.44Å; N102-S106 PolarHBondContact O-N 3.32Å; N102-S106 PolarHBondContact O-OG 2.93Å |
| 103 | H | 60.1 | Low | 62.2 | Low | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.597 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 174.3 | -170.5 | -89.6 | 0 | 0 | 0 | 112.1 | K99 A100 R101 S106 A107 | K99-H103 PolarHBondContact O-N 2.91Å; K99-H103 VanDerWaalsContact O-N 3.09Å; A100-H103 PolarHBondContact O-N 3.42Å; R101-H103 VanDerWaalsContact C-N 3.32Å; R101-H103 PolarHBondContact O-N 2.9Å; H103-S106 WeakPolarHBondContact CA-OG 3.39Å; H103-S106 PolarHBondContact O-OG 2.8Å; H103-A107 VanDerWaalsContact O-CB 3.31Å; H103-A107 WeakPolarHBondContact O-CB 3.07Å; H103-A107 PolarHBondContact O-N 3.37Å |
| 104 | N | 60.7 | Low | 61 | Low | 101 Ų | 101 | 104.3 Ų | 104.3 | 54% | 0.54 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.1 | -38.4 | 176.3 | -66 | -5.9 | 0 | 0 | 0 | 111.4 | A100 R101 A107 Q108 | A100-N104 PolarHBondContact O-N 2.87Å; A100-N104 VanDerWaalsContact O-N 3.17Å; R101-N104 PolarHBondContact O-N 2.93Å; N104-A107 PolarHBondContact O-N 2.95Å; N104-Q108 WeakPolarHBondContact O-CB 3.35Å; N104-Q108 PolarHBondContact O-N 3.18Å |
| 105 | V | 58.7 | Low | 59.8 | Low | 64 Ų | 64 | 100.9 Ų | 100.9 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.8 | -36.3 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111.6 | R101 N102 Q108 L109 | R101-V105 HydrophobicContact CG-CG2 4.38Å; R101-V105 WeakPolarHBondContact O-CB 3.35Å; R101-V105 VanDerWaalsContact O-CG2 3.25Å; R101-V105 WeakPolarHBondContact O-CG2 3.16Å; R101-V105 PolarHBondContact O-N 3.27Å; N102-V105 PolarHBondContact O-N 3.31Å; V105-Q108 PolarHBondContact O-N 3.05Å; V105-L109 HydrophobicContact CG1-CD1 3.6Å; V105-L109 HydrophobicContact CG1-CG 4.11Å; V105-L109 WeakPolarHBondContact O-CB 3.48Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.12Å; V105-L109 PolarHBondContact O-N 3.28Å |
| 106 | S | 57.2 | Low | 58.1 | Low | 54 Ų | 54 | 103.8 Ų | 103.8 | 38% | 0.378 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -38 | 172.9 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | N102 H103 Q108 N110 | N102-S106 WeakPolarHBondContact O-CB 3.44Å; N102-S106 PolarHBondContact O-N 3.32Å; N102-S106 PolarHBondContact O-OG 2.93Å; H103-S106 WeakPolarHBondContact CA-OG 3.39Å; H103-S106 PolarHBondContact O-OG 2.8Å; S106-Q108 VanDerWaalsContact C-N 3.34Å; S106-N110 VanDerWaalsContact O-CB 3.29Å; S106-N110 WeakPolarHBondContact O-CB 3.25Å; S106-N110 PolarHBondContact O-N 3.38Å |
| 107 | A | 57.3 | Low | 56.6 | Low | 58 Ų | 58 | 106.6 Ų | 106.6 | 48% | 0.479 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.8 | -39.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H103 N104 S111 | H103-A107 VanDerWaalsContact O-CB 3.31Å; H103-A107 WeakPolarHBondContact O-CB 3.07Å; H103-A107 PolarHBondContact O-N 3.37Å; N104-A107 PolarHBondContact O-N 2.95Å; A107-S111 PolarHBondContact O-N 2.68Å |
| 108 | Q | 53.7 | Low | 54.7 | Low | 135 Ų | 135 | 113.2 Ų | 113.2 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.3 | -35.3 | -179.6 | -159.7 | 167 | -20.7 | 0 | 0 | 112.5 | N104 V105 S106 S111 F112 | N104-Q108 WeakPolarHBondContact O-CB 3.35Å; N104-Q108 PolarHBondContact O-N 3.18Å; V105-Q108 PolarHBondContact O-N 3.05Å; S106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-S111 PolarHBondContact O-N 3.04Å; Q108-S111 PolarHBondContact O-OG 2.99Å; Q108-F112 WeakPolarHBondContact O-CB 3.36Å; Q108-F112 PolarHBondContact O-N 3.08Å; Q108-F112 VanDerWaalsContact O-N 3.1Å |
| 109 | L | 53 | Low | 53.5 | Low | 73 Ų | 73 | 120.1 Ų | 120.1 | 38% | 0.382 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.5 | -38.4 | 172.3 | -80.5 | 168.3 | 0 | 0 | 0 | 111.8 | V105 S111 F112 F113 | V105-L109 HydrophobicContact CG1-CD1 3.6Å; V105-L109 HydrophobicContact CG1-CG 4.11Å; V105-L109 WeakPolarHBondContact O-CB 3.48Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.12Å; V105-L109 PolarHBondContact O-N 3.28Å; L109-S111 PolarHBondContact O-N 2.69Å; L109-F112 PolarHBondContact O-N 3.32Å; L109-F113 HydrophobicContact CB-CD2 3.89Å; L109-F113 HydrophobicContact CB-CE2 3.87Å; L109-F113 HydrophobicContact CD1-CE2 4.35Å; L109-F113 HydrophobicContact CD2-CD2 4.09Å; L109-F113 HydrophobicContact CD2-CE2 3.49Å; L109-F113 VanDerWaalsContact CD2-CE2 3.49Å; L109-F113 HydrophobicContact CD2-CZ 4.14Å; L109-F113 HydrophobicContact CG-CE2 4.09Å; L109-F113 WeakPolarHBondContact O-CB 3Å; L109-F113 WeakPolarHBondContact O-CD2 3.02Å; L109-F113 PolarHBondContact O-N 3.27Å |
| 110 | N | 55.2 | Low | 51.6 | Low | 125 Ų | 125 | 118.9 Ų | 118.9 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61 | -30.3 | 172.9 | -76.4 | -5.5 | 0 | 0 | 0 | 112 | S106 | S106-N110 VanDerWaalsContact O-CB 3.29Å; S106-N110 WeakPolarHBondContact O-CB 3.25Å; S106-N110 PolarHBondContact O-N 3.38Å |
| 111 | S | 51.6 | Low | 50 | Low | 80 Ų | 80 | 119.3 Ų | 119.3 | 56% | 0.559 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.5 | -18.1 | 172.8 | 73 | 0 | 0 | 0 | 0 | 114.6 | A107 Q108 L109 T114 | A107-S111 PolarHBondContact O-N 2.68Å; Q108-S111 PolarHBondContact O-N 3.04Å; Q108-S111 PolarHBondContact O-OG 2.99Å; L109-S111 PolarHBondContact O-N 2.69Å; S111-T114 PolarHBondContact O-OG1 3.46Å |
| 112 | F | 48.1 | Very low | 49.1 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -97.7 | -31.4 | -177.8 | -150.6 | -95.2 | 0 | 0 | 0 | 112.3 | Q108 L109 T114 G115 | Q108-F112 WeakPolarHBondContact O-CB 3.36Å; Q108-F112 PolarHBondContact O-N 3.08Å; Q108-F112 VanDerWaalsContact O-N 3.1Å; L109-F112 PolarHBondContact O-N 3.32Å; F112-T114 PolarHBondContact O-N 3.05Å; F112-G115 CarbonylContact O-C 3.49Å; F112-G115 PolarHBondContact O-N 3.28Å; F112-G115 VanDerWaalsContact O-O 3.09Å |
| 113 | F | 47.3 | Very low | 48.1 | Very low | 155 Ų | 155 | 116.8 Ų | 116.8 | 68% | 0.68 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -6.4 | 178.4 | -81.7 | -66.8 | 0 | 0 | 0 | 114.6 | L109 G115 | L109-F113 HydrophobicContact CB-CD2 3.89Å; L109-F113 HydrophobicContact CB-CE2 3.87Å; L109-F113 HydrophobicContact CD1-CE2 4.35Å; L109-F113 HydrophobicContact CD2-CD2 4.09Å; L109-F113 HydrophobicContact CD2-CE2 3.49Å; L109-F113 VanDerWaalsContact CD2-CE2 3.49Å; L109-F113 HydrophobicContact CD2-CZ 4.14Å; L109-F113 HydrophobicContact CG-CE2 4.09Å; L109-F113 WeakPolarHBondContact O-CB 3Å; L109-F113 WeakPolarHBondContact O-CD2 3.02Å; L109-F113 PolarHBondContact O-N 3.27Å; F113-G115 PolarHBondContact O-N 3.3Å |
| 114 | T | 50.4 | Low | 47.6 | Very low | 129 Ų | 129 | 116.7 Ų | 116.7 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -2.1 | 162 | 35.8 | 0 | 0 | 0 | 0 | 113.3 | S111 F112 | S111-T114 PolarHBondContact O-OG1 3.46Å; F112-T114 PolarHBondContact O-N 3.05Å |
| 115 | G | 47.7 | Very low | 47.4 | Very low | 38 Ų | 38 | 117.3 Ų | 117.3 | 39% | 0.392 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -148.7 | 103.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F112 F113 | F112-G115 CarbonylContact O-C 3.49Å; F112-G115 PolarHBondContact O-N 3.28Å; F112-G115 VanDerWaalsContact O-O 3.09Å; F113-G115 PolarHBondContact O-N 3.3Å |
| 116 | S | 37.3 | Very low | 47.2 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | trans | 81.3 | 115.5 | 160.3 | 84 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 117 | Q | 40.7 | Very low | 46.7 | Very low | 194 Ų | 194 | 118.9 Ų | 118.9 | 91% | 0.907 | 67% | 0.673 | S | S | * | * | trans | -88.5 | 113.2 | 171.9 | -176.7 | 170.5 | -9.2 | 0 | 0 | 108.8 | ||||
| 118 | R | 34.4 | Very low | 46.3 | Very low | 235 Ų | 235 | 122.7 Ų | 122.7 | 89% | 0.887 | 68% | 0.679 | S | S | * | * | trans | -142.8 | 125.8 | 160.3 | -75.9 | -165.2 | 171 | 165.6 | -2.2 | 111.7 | ||||
| 119 | Q | 44.1 | Very low | 45.9 | Very low | 194 Ų | 194 | 118.5 Ų | 118.5 | 91% | 0.907 | 66% | 0.664 | S | S | * | * | trans | -57.4 | 139.3 | 172.2 | -68.3 | -179.9 | -42.6 | 0 | 0 | 111.5 | ||||
| 120 | V | 31.5 | Very low | 45.5 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 87% | 0.867 | 68% | 0.677 | S | S | * | * | trans | -136.3 | 108.4 | 162.5 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 121 | G | 34.5 | Very low | 45 | Very low | 63 Ų | 63 | 122.9 Ų | 122.9 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | trans | 46 | 107.5 | 138.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | V123 | G121-V123 PolarHBondContact O-N 3.26Š| ||
| 122 | S | 44.1 | Very low | 44.9 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 90% | 0.895 | 68% | 0.678 | S | S | * | * | trans | -62.9 | 113 | 161.9 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 123 | V | 43.3 | Very low | 44.8 | Very low | 111 Ų | 111 | 123 Ų | 123 | 67% | 0.673 | 67% | 0.671 | S | S | * | * | trans | -116.1 | 106.6 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | G121 T125 | G121-V123 PolarHBondContact O-N 3.26Å; V123-T125 PolarHBondContact O-N 3.02Å; V123-T125 VanDerWaalsContact O-N 3.13Å | ||
| 124 | N | 50 | Low | 44.7 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | trans | 23.3 | 70.3 | 162.7 | -72.7 | -0.5 | 0 | 0 | 0 | 117.1 | ||||
| 125 | T | 55.2 | Low | 44.1 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71 | -29.5 | 176.6 | 41.2 | 0 | 0 | 0 | 0 | 113.2 | V123 S129 | V123-T125 PolarHBondContact O-N 3.02Å; V123-T125 VanDerWaalsContact O-N 3.13Å; T125-S129 VanDerWaalsContact O-CB 3.27Å; T125-S129 WeakPolarHBondContact O-CB 3.23Å; T125-S129 PolarHBondContact O-N 3.13Å; T125-S129 PolarHBondContact O-OG 2.96Å |
| 126 | T | 53.9 | Low | 43.7 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 57% | 0.571 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.4 | -53.2 | -177.4 | 18.8 | 0 | 0 | 0 | 0 | 112.6 | K128 S129 W130 | T126-K128 VanDerWaalsContact C-N 3.34Å; T126-K128 PolarHBondContact O-N 3.35Å; T126-S129 PolarHBondContact O-N 2.81Å; T126-S129 VanDerWaalsContact O-N 3.09Å; T126-S129 PolarHBondContact O-OG 3.46Å; T126-W130 PolarHBondContact O-N 3.45Å |
| 127 | A | 46.6 | Very low | 44 | Very low | 57 Ų | 57 | 125.8 Ų | 125.8 | 47% | 0.471 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.9 | -37.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W130 L131 | A127-W130 PolarHBondContact O-N 3.19Å; A127-L131 WeakPolarHBondContact O-CB 3.29Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 2.93Å |
| 128 | K | 49 | Very low | 44.1 | Very low | 139 Ų | 139 | 120 Ų | 120 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.5 | -38.6 | 172 | -83 | -179.1 | 177.4 | 175.6 | 0 | 112.1 | T126 Q132 | T126-K128 VanDerWaalsContact C-N 3.34Å; T126-K128 PolarHBondContact O-N 3.35Å; K128-Q132 WeakPolarHBondContact O-CB 3.23Å; K128-Q132 WeakPolarHBondContact O-CG 3.32Å; K128-Q132 PolarHBondContact O-N 3.14Å |
| 129 | S | 45.2 | Very low | 44.7 | Very low | 47 Ų | 47 | 114.8 Ų | 114.8 | 33% | 0.329 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.1 | -37.5 | 175.5 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | T125 T126 N133 | T125-S129 VanDerWaalsContact O-CB 3.27Å; T125-S129 WeakPolarHBondContact O-CB 3.23Å; T125-S129 PolarHBondContact O-N 3.13Å; T125-S129 PolarHBondContact O-OG 2.96Å; T126-S129 PolarHBondContact O-N 2.81Å; T126-S129 VanDerWaalsContact O-N 3.09Å; T126-S129 PolarHBondContact O-OG 3.46Å; S129-N133 VanDerWaalsContact O-CB 3.28Å; S129-N133 WeakPolarHBondContact O-CB 2.97Å; S129-N133 PolarHBondContact O-N 2.9Å |
| 130 | W | 45.4 | Very low | 45.3 | Very low | 172 Ų | 172 | 108.4 Ų | 108.4 | 65% | 0.652 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.5 | -44.3 | 176 | -83.3 | 99 | 0 | 0 | 0 | 111.7 | T126 A127 N133 I134 | T126-W130 PolarHBondContact O-N 3.45Å; A127-W130 PolarHBondContact O-N 3.19Å; W130-N133 PolarHBondContact O-N 2.89Å; W130-I134 WeakPolarHBondContact O-CB 3.21Å; W130-I134 VanDerWaalsContact O-CG1 3.29Å; W130-I134 WeakPolarHBondContact O-CG1 3.36Å; W130-I134 PolarHBondContact O-N 3.27Å |
| 131 | L | 44.8 | Very low | 47 | Very low | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -36.6 | 175.4 | -71 | 169.5 | 0 | 0 | 0 | 112.2 | A127 Y135 | A127-L131 WeakPolarHBondContact O-CB 3.29Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 2.93Å; L131-Y135 WeakPolarHBondContact O-CB 3.43Å; L131-Y135 PolarHBondContact O-N 2.86Å |
| 132 | Q | 49 | Very low | 49.3 | Very low | 136 Ų | 136 | 108.2 Ų | 108.2 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68 | -38 | 172.7 | -77.9 | 177 | -20 | 0 | 0 | 112 | K128 Y135 K136 | K128-Q132 WeakPolarHBondContact O-CB 3.23Å; K128-Q132 WeakPolarHBondContact O-CG 3.32Å; K128-Q132 PolarHBondContact O-N 3.14Å; Q132-Y135 PolarHBondContact O-N 3.14Å; Q132-K136 WeakPolarHBondContact O-CB 3.41Å; Q132-K136 PolarHBondContact O-N 3.41Å |
| 133 | N | 46.3 | Very low | 51.3 | Low | 89 Ų | 89 | 103.1 Ų | 103.1 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 173.9 | -85.5 | -7.8 | 0 | 0 | 0 | 111.8 | S129 W130 K136 I137 | S129-N133 VanDerWaalsContact O-CB 3.28Å; S129-N133 WeakPolarHBondContact O-CB 2.97Å; S129-N133 PolarHBondContact O-N 2.9Å; W130-N133 PolarHBondContact O-N 2.89Å; N133-K136 PolarHBondContact O-N 3.08Å; N133-I137 WeakPolarHBondContact O-CB 3.33Å; N133-I137 VanDerWaalsContact O-CD1 3.3Å; N133-I137 WeakPolarHBondContact O-CD1 3.35Å; N133-I137 WeakPolarHBondContact O-CG1 3.24Å; N133-I137 PolarHBondContact O-N 3.25Å |
| 134 | I | 44.6 | Very low | 53.4 | Low | 100 Ų | 100 | 100.9 Ų | 100.9 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176 | -67.7 | 170.8 | 0 | 0 | 0 | 111 | W130 I137 C138 | W130-I134 WeakPolarHBondContact O-CB 3.21Å; W130-I134 VanDerWaalsContact O-CG1 3.29Å; W130-I134 WeakPolarHBondContact O-CG1 3.36Å; W130-I134 PolarHBondContact O-N 3.27Å; I134-I137 PolarHBondContact O-N 3.43Å; I134-C138 VanDerWaalsContact O-CB 3.31Å; I134-C138 WeakPolarHBondContact O-CB 3.47Å; I134-C138 PolarHBondContact O-N 3.4Å |
| 135 | Y | 38.4 | Very low | 55.2 | Low | 152 Ų | 152 | 96.2 Ų | 96.2 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.6 | -38.5 | 174.9 | -178.7 | -98.9 | 0 | 0 | 0 | 112.4 | L131 Q132 C138 K139 | L131-Y135 WeakPolarHBondContact O-CB 3.43Å; L131-Y135 PolarHBondContact O-N 2.86Å; Q132-Y135 PolarHBondContact O-N 3.14Å; Y135-C138 PolarHBondContact O-N 3.39Å; Y135-K139 HydrophobicContact CE1-CD 4.28Å; Y135-K139 PolarHBondContact O-N 3.35Å; Y135-K139 VanDerWaalsContact O-N 3.1Å |
| 136 | K | 39.8 | Very low | 56.9 | Low | 121 Ų | 121 | 91.7 Ų | 91.7 | 53% | 0.526 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 176.2 | -167.2 | 178 | -176.7 | -175.8 | 0 | 111.7 | Q132 N133 C138 K139 D140 | Q132-K136 WeakPolarHBondContact O-CB 3.41Å; Q132-K136 PolarHBondContact O-N 3.41Å; N133-K136 PolarHBondContact O-N 3.08Å; K136-C138 VanDerWaalsContact C-N 3.29Å; K136-C138 PolarHBondContact O-N 3.08Å; K136-K139 PolarHBondContact O-N 2.92Å; K136-D140 PolarHBondContact O-N 3.47Å |
| 137 | I | 43.5 | Very low | 58.7 | Low | 109 Ų | 109 | 87.4 Ų | 87.4 | 56% | 0.559 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -57.1 | -45.7 | 169.3 | -70.8 | 159.6 | 0 | 0 | 0 | 109 | N133 I134 K139 S141 | N133-I137 WeakPolarHBondContact O-CB 3.33Å; N133-I137 VanDerWaalsContact O-CD1 3.3Å; N133-I137 WeakPolarHBondContact O-CD1 3.35Å; N133-I137 WeakPolarHBondContact O-CG1 3.24Å; N133-I137 PolarHBondContact O-N 3.25Å; I134-I137 PolarHBondContact O-N 3.43Å; I137-K139 PolarHBondContact O-N 3.39Å; I137-S141 WeakPolarHBondContact O-CB 3.17Å; I137-S141 PolarHBondContact O-N 3.3Å; I137-S141 PolarHBondContact O-OG 2.93Å |
| 138 | C | 41.6 | Very low | 60.9 | Low | 73 Ų | 73 | 88.5 Ų | 88.5 | 49% | 0.493 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.5 | -24.1 | -176.1 | -159.7 | 0 | 0 | 0 | 0 | 115 | I134 Y135 K136 W142 | I134-C138 VanDerWaalsContact O-CB 3.31Å; I134-C138 WeakPolarHBondContact O-CB 3.47Å; I134-C138 PolarHBondContact O-N 3.4Å; Y135-C138 PolarHBondContact O-N 3.39Å; K136-C138 VanDerWaalsContact C-N 3.29Å; K136-C138 PolarHBondContact O-N 3.08Å; C138-W142 VanDerWaalsContact O-CD1 3.27Å |
| 139 | K | 47.3 | Very low | 63 | Low | 125 Ų | 125 | 86 Ų | 86 | 54% | 0.543 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -88.9 | -36.6 | -179.4 | -142 | 178.2 | -177.2 | -177.4 | 0 | 113.3 | Y135 K136 I137 | Y135-K139 HydrophobicContact CE1-CD 4.28Å; Y135-K139 PolarHBondContact O-N 3.35Å; Y135-K139 VanDerWaalsContact O-N 3.1Å; K136-K139 PolarHBondContact O-N 2.92Å; I137-K139 PolarHBondContact O-N 3.39Å |
| 140 | D | 57 | Low | 65.3 | Low | 61 Ų | 61 | 83.8 Ų | 83.8 | 33% | 0.326 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -81.7 | -20.6 | 174.2 | -74.4 | -3.5 | 0 | 0 | 0 | 112.3 | H87 R91 K136 W142 | H87-D140 IonicContact CE1-OD1 3.31Å; H87-D140 PolarHBondContact CE1-OD1 3.47Å; H87-D140 IonicContact ND1-OD1 3.55Å; H87-D140 IonicContact NE2-OD1 2.66Å; H87-D140 PolarHBondContact NE2-OD1 3.2Å; R91-D140 IonicContact NH2-OD2 3.64Å; K136-D140 PolarHBondContact O-N 3.47Å; D140-W142 PolarHBondContact O-N 3.36Å |
| 141 | S | 68.6 | Low | 67.6 | Low | 49 Ų | 49 | 76 Ų | 76 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.6 | -28.3 | -176.8 | -75.2 | 0 | 0 | 0 | 0 | 115 | I137 A145 | I137-S141 WeakPolarHBondContact O-CB 3.17Å; I137-S141 PolarHBondContact O-N 3.3Å; I137-S141 PolarHBondContact O-OG 2.93Å; S141-A145 WeakPolarHBondContact O-CB 3.31Å; S141-A145 PolarHBondContact O-N 3.38Å |
| 142 | W | 82 | Confident | 69.9 | Low | 153 Ų | 153 | 75 Ų | 75 | 58% | 0.58 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.3 | -41.6 | -173.1 | -77.9 | 97.1 | 0 | 0 | 0 | 112.8 | C138 D140 A145 L146 | C138-W142 VanDerWaalsContact O-CD1 3.27Å; D140-W142 PolarHBondContact O-N 3.36Å; W142-A145 PolarHBondContact O-N 2.68Å; W142-L146 WeakPolarHBondContact O-CB 3.47Å; W142-L146 PolarHBondContact O-N 2.71Å |
| 143 | I | 86.1 | Confident | 72 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 11% | 0.108 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.3 | -42.2 | 179.2 | -59.5 | 168.3 | 0 | 0 | 0 | 109.1 | L83 E84 H87 A145 L146 H147 | L83-I143 HydrophobicContact CB-CD1 4.48Å; L83-I143 HydrophobicContact CB-CG1 4.39Å; E84-I143 WeakPolarHBondContact OE2-CG2 3.43Å; H87-I143 HydrophobicContact CB-CD1 3.66Å; I143-A145 PolarHBondContact O-N 3.29Å; I143-L146 WeakPolarHBondContact O-CB 3.37Å; I143-L146 PolarHBondContact O-N 3.08Å; I143-H147 VanDerWaalsContact CG2-CE1 3.49Å; I143-H147 WeakPolarHBondContact CG2-CE1 3.13Å; I143-H147 PolarHBondContact O-N 3.2Å; I143-H147 PolarHBondContact O-ND1 3.04Å |
| 144 | L | 86.2 | Confident | 74.2 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 173.6 | -176.5 | 62.6 | 0 | 0 | 0 | 112.3 | L146 H147 Q148 L187 | L144-L146 VanDerWaalsContact C-N 3.27Å; L144-L146 PolarHBondContact O-N 2.89Å; L144-H147 WeakPolarHBondContact O-CB 3.17Å; L144-H147 PolarHBondContact O-N 3Å; L144-Q148 WeakPolarHBondContact O-CG 3.18Å; L144-Q148 PolarHBondContact O-N 2.96Å; L144-L187 HydrophobicContact CD1-CD1 4.13Å |
| 145 | A | 89.1 | Confident | 76.4 | Confident | 29 Ų | 29 | 62 Ų | 62 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S141 W142 I143 Q148 I149 | S141-A145 WeakPolarHBondContact O-CB 3.31Å; S141-A145 PolarHBondContact O-N 3.38Å; W142-A145 PolarHBondContact O-N 2.68Å; I143-A145 PolarHBondContact O-N 3.29Å; A145-Q148 PolarHBondContact O-N 2.8Å; A145-I149 WeakPolarHBondContact O-CB 3.41Å; A145-I149 WeakPolarHBondContact O-CG1 3.18Å; A145-I149 PolarHBondContact O-N 3.01Å |
| 146 | L | 90.9 | Very high | 78.8 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 175.7 | -156.8 | 168.9 | 0 | 0 | 0 | 110.9 | A23 I76 I80 L83 W142 I143 L144 Q148 L150 | A23-L146 HydrophobicContact CB-CD1 4.04Å; I76-L146 HydrophobicContact CD1-CD2 4.15Å; I80-L146 HydrophobicContact CD1-CD2 3.4Å; I80-L146 VanDerWaalsContact CD1-CD2 3.4Å; I80-L146 HydrophobicContact CG1-CD1 4.4Å; I80-L146 HydrophobicContact CG1-CD2 3.44Å; I80-L146 VanDerWaalsContact CG1-CD2 3.44Å; L83-L146 HydrophobicContact CD1-CD1 3.81Å; W142-L146 WeakPolarHBondContact O-CB 3.47Å; W142-L146 PolarHBondContact O-N 2.71Å; I143-L146 WeakPolarHBondContact O-CB 3.37Å; I143-L146 PolarHBondContact O-N 3.08Å; L144-L146 VanDerWaalsContact C-N 3.27Å; L144-L146 PolarHBondContact O-N 2.89Å; L146-Q148 VanDerWaalsContact C-N 3.35Å; L146-Q148 PolarHBondContact O-N 3.35Å; L146-L150 VanDerWaalsContact O-CB 3.22Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 PolarHBondContact O-N 3.4Å |
| 147 | H | 91.3 | Very high | 81.2 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 173.2 | -70.6 | 94.5 | 0 | 0 | 0 | 112.4 | I80 I143 L144 L151 L187 N190 W213 | I80-H147 WeakPolarHBondContact CG2-NE2 3.01Å; I143-H147 VanDerWaalsContact CG2-CE1 3.49Å; I143-H147 WeakPolarHBondContact CG2-CE1 3.13Å; I143-H147 PolarHBondContact O-N 3.2Å; I143-H147 PolarHBondContact O-ND1 3.04Å; L144-H147 WeakPolarHBondContact O-CB 3.17Å; L144-H147 PolarHBondContact O-N 3Å; H147-L151 WeakPolarHBondContact O-CG 3.36Å; H147-L151 PolarHBondContact O-N 3.07Å; H147-L187 HydrophobicContact CB-CD1 4.26Å; H147-N190 PolarHBondContact CD2-ND2 2.99Å; H147-N190 PolarHBondContact NE2-ND2 2.98Å; H147-W213 AromaticContact CD2-CE2 3.63Å; H147-W213 AromaticContact CD2-CZ2 3.56Å; H147-W213 AromaticContact CD2-NE1 3.64Å |
| 148 | Q | 93.4 | Very high | 83.2 | Confident | 80 Ų | 80 | 48 Ų | 48 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.2 | -49.2 | 178.5 | -71.3 | 173.3 | -10.7 | 0 | 0 | 112.4 | L144 A145 L146 L150 L151 I152 L187 | L144-Q148 WeakPolarHBondContact O-CG 3.18Å; L144-Q148 PolarHBondContact O-N 2.96Å; A145-Q148 PolarHBondContact O-N 2.8Å; L146-Q148 VanDerWaalsContact C-N 3.35Å; L146-Q148 PolarHBondContact O-N 3.35Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 3.3Å; Q148-L151 PolarHBondContact O-N 2.83Å; Q148-I152 WeakPolarHBondContact O-CG1 3.38Å; Q148-I152 PolarHBondContact O-N 2.97Å; Q148-L187 HydrophobicContact CG-CD1 3.87Å; Q148-L187 HydrophobicContact CG-CD2 3.78Å; Q148-L187 HydrophobicContact CG-CG 4.5Å |
| 149 | I | 92.8 | Very high | 85.3 | Confident | 88 Ų | 88 | 52.2 Ų | 52.2 | 45% | 0.451 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 179.9 | -67.3 | 166.4 | 0 | 0 | 0 | 110.2 | L19 A145 I152 L153 | L19-I149 HydrophobicContact CD1-CG2 3.69Å; L19-I149 HydrophobicContact CD2-CG2 3.97Å; L19-I149 HydrophobicContact CG-CG2 4.49Å; A145-I149 WeakPolarHBondContact O-CB 3.41Å; A145-I149 WeakPolarHBondContact O-CG1 3.18Å; A145-I149 PolarHBondContact O-N 3.01Å; I149-I152 PolarHBondContact O-N 3.48Å; I149-L153 WeakPolarHBondContact O-CB 3.33Å; I149-L153 PolarHBondContact O-N 2.88Å |
| 150 | L | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.1 | -54.1 | 173.4 | 168.4 | 62.2 | 0 | 0 | 0 | 111.1 | F72 L73 I76 I80 L146 Q148 I152 L153 L154 W213 M217 | F72-L150 HydrophobicContact CE1-CD1 3.42Å; F72-L150 VanDerWaalsContact CE1-CD1 3.42Å; F72-L150 HydrophobicContact CZ-CD1 3.5Å; F72-L150 VanDerWaalsContact CZ-CD1 3.5Å; L73-L150 HydrophobicContact CD2-CD1 4.27Å; I76-L150 HydrophobicContact CD1-CD1 4.29Å; I76-L150 HydrophobicContact CG2-CD1 3.92Å; I80-L150 HydrophobicContact CD1-CD2 3.65Å; L146-L150 VanDerWaalsContact O-CB 3.22Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 PolarHBondContact O-N 3.4Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 3.3Å; L150-I152 PolarHBondContact O-N 3.33Å; L150-L153 PolarHBondContact O-N 3.3Å; L150-L154 HydrophobicContact CD1-CD1 4.03Å; L150-L154 HydrophobicContact CD1-CG 4.13Å; L150-L154 HydrophobicContact CG-CD1 4.16Å; L150-L154 VanDerWaalsContact O-CG 3.29Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.09Å; L150-W213 HydrophobicContact CD2-CH2 3.94Å; L150-W213 HydrophobicContact CD2-CZ2 3.69Å; L150-M217 HydrophobicContact CD2-CE 4.45Å |
| 151 | L | 93.5 | Very high | 88.2 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | -178.6 | -76.1 | 171.8 | 0 | 0 | 0 | 112.5 | H147 Q148 L153 L154 I155 A183 L187 M217 F220 | H147-L151 WeakPolarHBondContact O-CG 3.36Å; H147-L151 PolarHBondContact O-N 3.07Å; Q148-L151 PolarHBondContact O-N 2.83Å; L151-L153 VanDerWaalsContact C-N 3.3Å; L151-L153 PolarHBondContact O-N 3.49Å; L151-L154 HydrophobicContact CD2-CD1 4.49Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 3.23Å; L151-I155 WeakPolarHBondContact O-CD1 3.44Å; L151-I155 WeakPolarHBondContact O-CG1 3.2Å; L151-I155 PolarHBondContact O-N 2.89Å; L151-A183 HydrophobicContact CB-CB 4.15Å; L151-A183 HydrophobicContact CD1-CB 4.22Å; L151-A183 WeakPolarHBondContact CD1-O 3.27Å; L151-A183 HydrophobicContact CD2-CB 3.78Å; L151-A183 HydrophobicContact CG-CB 4.28Å; L151-L187 HydrophobicContact CD1-CB 3.73Å; L151-L187 HydrophobicContact CD1-CD1 4.31Å; L151-L187 HydrophobicContact CD1-CG 4.45Å; L151-M217 HydrophobicContact CD2-CE 3.61Å; L151-M217 HydrophobicContact CD2-SD 3.98Å; L151-M217 HydrophobicContact CG-CE 4.17Å; L151-F220 HydrophobicContact CD2-CE2 3.8Å; L151-F220 HydrophobicContact CD2-CZ 3.69Å |
| 152 | I | 92.6 | Very high | 88.1 | Confident | 97 Ų | 97 | 43.8 Ų | 43.8 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.6 | -68.5 | 167.8 | 0 | 0 | 0 | 110.4 | Q148 I149 L150 L154 I155 I156 | Q148-I152 WeakPolarHBondContact O-CG1 3.38Å; Q148-I152 PolarHBondContact O-N 2.97Å; I149-I152 PolarHBondContact O-N 3.48Å; L150-I152 PolarHBondContact O-N 3.33Å; I152-L154 VanDerWaalsContact C-N 3.33Å; I152-L154 PolarHBondContact O-N 3.48Å; I152-I155 PolarHBondContact O-N 2.83Å; I152-I156 HydrophobicContact CG2-CD1 3.64Å; I152-I156 HydrophobicContact CG2-CG1 4.29Å; I152-I156 WeakPolarHBondContact O-CG1 3.45Å; I152-I156 PolarHBondContact O-N 3.1Å |
| 153 | L | 93.2 | Very high | 87.3 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.6 | -32.2 | -179.3 | -165.2 | 68.7 | 0 | 0 | 0 | 112 | L15 F16 L19 F72 I149 L150 L151 G157 | L15-L153 HydrophobicContact CB-CD1 3.88Å; L15-L153 HydrophobicContact CB-CD2 4.45Å; L15-L153 HydrophobicContact CD1-CD1 4.14Å; F16-L153 HydrophobicContact CD1-CD2 3.67Å; F16-L153 HydrophobicContact CD1-CG 3.85Å; F16-L153 HydrophobicContact CE1-CD2 4.2Å; F16-L153 HydrophobicContact CE1-CG 3.87Å; L19-L153 HydrophobicContact CB-CD2 3.79Å; L19-L153 HydrophobicContact CD2-CB 4.32Å; L19-L153 HydrophobicContact CD2-CD2 3.48Å; L19-L153 VanDerWaalsContact CD2-CD2 3.48Å; L19-L153 HydrophobicContact CG-CD2 4.26Å; F72-L153 HydrophobicContact CZ-CD2 4.34Å; I149-L153 WeakPolarHBondContact O-CB 3.33Å; I149-L153 PolarHBondContact O-N 2.88Å; L150-L153 PolarHBondContact O-N 3.3Å; L151-L153 VanDerWaalsContact C-N 3.3Å; L151-L153 PolarHBondContact O-N 3.49Å; L153-G157 WeakPolarHBondContact O-CA 3.41Å; L153-G157 PolarHBondContact O-N 3.48Å |
| 154 | L | 91.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 171.7 | -69.7 | 168.9 | 0 | 0 | 0 | 111.5 | I69 F72 L73 L150 L151 I152 K158 M217 F220 | I69-L154 HydrophobicContact CG2-CD2 3.46Å; I69-L154 VanDerWaalsContact CG2-CD2 3.46Å; F72-L154 HydrophobicContact CD1-CD2 3.82Å; F72-L154 HydrophobicContact CE1-CD2 3.71Å; F72-L154 HydrophobicContact CE1-CG 4.25Å; L73-L154 HydrophobicContact CD2-CD1 4.09Å; L73-L154 HydrophobicContact CD2-CD2 4.08Å; L73-L154 HydrophobicContact CG-CD2 4.41Å; L150-L154 HydrophobicContact CD1-CD1 4.03Å; L150-L154 HydrophobicContact CD1-CG 4.13Å; L150-L154 HydrophobicContact CG-CD1 4.16Å; L150-L154 VanDerWaalsContact O-CG 3.29Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.09Å; L151-L154 HydrophobicContact CD2-CD1 4.49Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 3.23Å; I152-L154 VanDerWaalsContact C-N 3.33Å; I152-L154 PolarHBondContact O-N 3.48Å; L154-K158 WeakPolarHBondContact O-CB 3.04Å; L154-K158 PolarHBondContact O-N 2.66Å; L154-M217 HydrophobicContact CD1-SD 4.09Å; L154-F220 HydrophobicContact CB-CD1 4.1Å; L154-F220 HydrophobicContact CB-CG 4.27Å; L154-F220 HydrophobicContact CD1-CB 4.32Å; L154-F220 HydrophobicContact CD1-CD1 4.41Å; L154-F220 HydrophobicContact CD1-CD2 3.7Å; L154-F220 HydrophobicContact CD1-CE2 4.06Å; L154-F220 HydrophobicContact CD1-CG 3.89Å; L154-F220 HydrophobicContact CD2-CB 4.36Å |
| 155 | I | 90.4 | Very high | 84.3 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -50 | 178.6 | -62.3 | 158.1 | 0 | 0 | 0 | 110.6 | L151 I152 G157 K158 W159 L176 F179 V180 A183 | L151-I155 WeakPolarHBondContact O-CD1 3.44Å; L151-I155 WeakPolarHBondContact O-CG1 3.2Å; L151-I155 PolarHBondContact O-N 2.89Å; I152-I155 PolarHBondContact O-N 2.83Å; I155-G157 VanDerWaalsContact C-N 3.35Å; I155-G157 PolarHBondContact O-N 3.48Å; I155-K158 PolarHBondContact O-N 3.31Å; I155-W159 PolarHBondContact O-N 3.08Å; I155-L176 HydrophobicContact CG2-CD2 4.01Å; I155-L176 WeakPolarHBondContact O-CD2 3.35Å; I155-F179 HydrophobicContact CG1-CB 4.32Å; I155-V180 HydrophobicContact CD1-CG2 3.93Å; I155-V180 HydrophobicContact CG2-CG2 4.14Å; I155-A183 HydrophobicContact CD1-CB 4Å |
| 156 | I | 90 | Very high | 82.7 | Confident | 70 Ų | 70 | 40 Ų | 40 | 36% | 0.359 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64 | -42.5 | 178.3 | -67.5 | 174.5 | 0 | 0 | 0 | 110.7 | I152 K158 W159 L160 | I152-I156 HydrophobicContact CG2-CD1 3.64Å; I152-I156 HydrophobicContact CG2-CG1 4.29Å; I152-I156 WeakPolarHBondContact O-CG1 3.45Å; I152-I156 PolarHBondContact O-N 3.1Å; I156-K158 VanDerWaalsContact C-N 3.29Å; I156-K158 PolarHBondContact O-N 3.13Å; I156-W159 WeakPolarHBondContact O-CB 3.2Å; I156-W159 PolarHBondContact O-N 3.19Å; I156-W159 VanDerWaalsContact O-N 3.14Å; I156-L160 VanDerWaalsContact O-CB 3.28Å; I156-L160 WeakPolarHBondContact O-CB 2.92Å; I156-L160 PolarHBondContact O-N 3.05Å |
| 157 | G | 88.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L153 I155 W159 L160 L161 | L153-G157 WeakPolarHBondContact O-CA 3.41Å; L153-G157 PolarHBondContact O-N 3.48Å; I155-G157 VanDerWaalsContact C-N 3.35Å; I155-G157 PolarHBondContact O-N 3.48Å; G157-W159 PolarHBondContact O-N 3.04Å; G157-L160 PolarHBondContact O-N 2.8Å; G157-L161 WeakPolarHBondContact O-CB 3.27Å; G157-L161 WeakPolarHBondContact O-CD1 3.49Å; G157-L161 WeakPolarHBondContact O-CG 3.26Å; G157-L161 PolarHBondContact O-N 3.06Å |
| 158 | K | 85.6 | Confident | 80.4 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -37.4 | 174.9 | -176.7 | 59.5 | -174.4 | 177.1 | 0 | 113.1 | I69 L154 I155 I156 L172 L176 F179 H223 | I69-K158 HydrophobicContact CD1-CB 4.22Å; I69-K158 HydrophobicContact CD1-CD 4.2Å; L154-K158 WeakPolarHBondContact O-CB 3.04Å; L154-K158 PolarHBondContact O-N 2.66Å; I155-K158 PolarHBondContact O-N 3.31Å; I156-K158 VanDerWaalsContact C-N 3.29Å; I156-K158 PolarHBondContact O-N 3.13Å; K158-L172 HydrophobicContact CG-CD1 4.49Å; K158-L176 HydrophobicContact CB-CD2 4.1Å; K158-L176 HydrophobicContact CG-CD2 4.14Å; K158-F179 HydrophobicContact CB-CE2 4.49Å; K158-F179 HydrophobicContact CG-CD2 4.36Å; K158-F179 HydrophobicContact CG-CE2 3.99Å; K158-H223 WeakPolarHBondContact CD-CE1 3.45Å; K158-H223 WeakPolarHBondContact CE-CE1 3.37Å; K158-H223 WeakPolarHBondContact CE-ND1 3.36Å; K158-H223 VanDerWaalsContact CE-NE2 3.32Å; K158-H223 WeakPolarHBondContact CE-NE2 3.47Å; K158-H223 PolarHBondContact NZ-CD2 3.05Å; K158-H223 PolarHBondContact NZ-CE1 3.35Å; K158-H223 PolarHBondContact NZ-ND1 3.28Å; K158-H223 PolarHBondContact NZ-NE2 3.49Å |
| 159 | W | 87.3 | Confident | 79.6 | Confident | 162 Ų | 162 | 48.7 Ų | 48.7 | 61% | 0.614 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.5 | -37.6 | 175.9 | 178.2 | 48.9 | 0 | 0 | 0 | 112.6 | I155 I156 G157 L176 | I155-W159 PolarHBondContact O-N 3.08Å; I156-W159 WeakPolarHBondContact O-CB 3.2Å; I156-W159 PolarHBondContact O-N 3.19Å; I156-W159 VanDerWaalsContact O-N 3.14Å; G157-W159 PolarHBondContact O-N 3.04Å; W159-L176 HydrophobicContact CB-CD1 3.72Å; W159-L176 HydrophobicContact CB-CD2 4.11Å; W159-L176 HydrophobicContact CG-CD1 3.94Å |
| 160 | L | 84.6 | Confident | 78.7 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -84.2 | -24.2 | -174.4 | -168.1 | 64.8 | 0 | 0 | 0 | 113 | S8 I11 T12 I156 G157 | S8-L160 VanDerWaalsContact CB-O 3.32Å; S8-L160 WeakPolarHBondContact CB-O 3.18Å; S8-L160 PolarHBondContact OG-O 3.37Å; I11-L160 HydrophobicContact CB-CD2 4.14Å; I11-L160 HydrophobicContact CG2-CD2 3.77Å; T12-L160 WeakPolarHBondContact OG1-CB 3.5Å; T12-L160 VanDerWaalsContact OG1-CD2 3.28Å; T12-L160 WeakPolarHBondContact OG1-CD2 3.44Å; T12-L160 WeakPolarHBondContact OG1-CG 3.45Å; I156-L160 VanDerWaalsContact O-CB 3.28Å; I156-L160 WeakPolarHBondContact O-CB 2.92Å; I156-L160 PolarHBondContact O-N 3.05Å; G157-L160 PolarHBondContact O-N 2.8Å |
| 161 | L | 80.6 | Confident | 77.6 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -64.7 | 132.3 | 177 | -79.3 | 162.2 | 0 | 0 | 0 | 111.3 | T12 D61 I69 G157 L163 | T12-L161 HydrophobicContact CG2-CD1 4.43Å; T12-L161 HydrophobicContact CG2-CD2 4.34Å; T12-L161 HydrophobicContact CG2-CG 4.08Å; D61-L161 WeakPolarHBondContact OD2-CB 3.21Å; D61-L161 WeakPolarHBondContact OD2-CD1 3.3Å; I69-L161 HydrophobicContact CD1-CD1 4.21Å; I69-L161 HydrophobicContact CG1-CD1 4.18Å; G157-L161 WeakPolarHBondContact O-CB 3.27Å; G157-L161 WeakPolarHBondContact O-CD1 3.49Å; G157-L161 WeakPolarHBondContact O-CG 3.26Å; G157-L161 PolarHBondContact O-N 3.06Å; L161-L163 PolarHBondContact O-N 3Å |
| 162 | P | 65.1 | Low | 76.9 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.071 | 28% | 0.276 | C | S | . | . | trans | -66.4 | 129.3 | -179 | 29.7 | -37.5 | 0 | 0 | 0 | 111.2 | A9 G59 G164 | A9-P162 HydrophobicContact CB-CG 4.15Å; G59-P162 WeakPolarHBondContact O-CG 3.4Å; P162-G164 PolarHBondContact O-N 2.85Å; P162-G164 VanDerWaalsContact O-N 3.15Å | ||
| 163 | L | 66.3 | Low | 76.4 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 34% | 0.335 | 27% | 0.274 | S | S | . | . | trans | -63.7 | 111.5 | -177.7 | -70.1 | 152.6 | 0 | 0 | 0 | 111.1 | L161 I167 L172 | L161-L163 PolarHBondContact O-N 3Å; L163-I167 HydrophobicContact CD2-CB 3.98Å; L163-I167 HydrophobicContact CD2-CG2 3.9Å; L163-L172 HydrophobicContact CD1-CD2 4.04Å; L163-L172 HydrophobicContact CD2-CB 4.22Å; L163-L172 HydrophobicContact CD2-CD1 4.25Å; L163-L172 HydrophobicContact CD2-CD2 4.07Å; L163-L172 HydrophobicContact CD2-CG 4.39Å; L163-L172 HydrophobicContact CG-CD2 4.28Å | ||
| 164 | G | 54.2 | Low | 75.7 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | trans | -93.6 | 3.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | D61 P162 | D61-G164 WeakPolarHBondContact O-CA 3.5Å; P162-G164 PolarHBondContact O-N 2.85Å; P162-G164 VanDerWaalsContact O-N 3.15Å | ||
| 165 | G | 55 | Low | 75 | Confident | 22 Ų | 22 | 54 Ų | 54 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -156.4 | 43.4 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | I167 | G165-I167 PolarHBondContact O-N 2.86Å; G165-I167 VanDerWaalsContact O-N 3.15Å |
| 166 | G | 55.4 | Low | 74.7 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 66.3 | 16.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 167 | I | 62.9 | Low | 74.3 | Confident | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | trans | -74.7 | 130 | 173 | -65.3 | 171.6 | 0 | 0 | 0 | 108.2 | L163 G165 Q171 | L163-I167 HydrophobicContact CD2-CB 3.98Å; L163-I167 HydrophobicContact CD2-CG2 3.9Å; G165-I167 PolarHBondContact O-N 2.86Å; G165-I167 VanDerWaalsContact O-N 3.15Å; I167-Q171 HydrophobicContact CG2-CB 3.82Å | ||
| 168 | T | 71.6 | Confident | 73.9 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 37% | 0.368 | 32% | 0.323 | S | S | . | . | trans | -76.8 | 157.8 | 178.4 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | D170 Q171 L172 | T168-D170 PolarHBondContact O-N 3.46Å; T168-Q171 PolarHBondContact O-N 3.26Å; T168-Q171 VanDerWaalsContact OG1-CG 3.3Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.37Å; T168-Q171 PolarHBondContact OG1-N 3.35Å; T168-Q171 PolarHBondContact OG1-OE1 3Å; T168-L172 PolarHBondContact O-N 2.95Å; T168-L172 VanDerWaalsContact O-N 3.08Å | ||
| 169 | R | 76.8 | Confident | 73.8 | Confident | 196 Ų | 196 | 59.1 Ų | 59.1 | 74% | 0.74 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.1 | -31.3 | 178.1 | -65.8 | -178.3 | 67.4 | 93.8 | 0.1 | 112.3 | L172 S173 | R169-L172 PolarHBondContact O-N 3.2Å; R169-S173 PolarHBondContact O-N 3.13Å |
| 170 | D | 72.3 | Confident | 73.8 | Confident | 123 Ų | 123 | 54.9 Ų | 54.9 | 66% | 0.658 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69 | -41 | 177.8 | -55.6 | -45.5 | 0 | 0 | 0 | 111.7 | T168 S173 Q174 | T168-D170 PolarHBondContact O-N 3.46Å; D170-S173 WeakPolarHBondContact O-CB 3.09Å; D170-S173 PolarHBondContact O-N 3.17Å; D170-Q174 PolarHBondContact O-N 3.01Å |
| 171 | Q | 72.4 | Confident | 73.8 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 7% | 0.065 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 174.9 | -73.4 | 167.9 | -14.1 | 0 | 0 | 111.7 | I167 T168 S173 Q174 L175 | I167-Q171 HydrophobicContact CG2-CB 3.82Å; T168-Q171 PolarHBondContact O-N 3.26Å; T168-Q171 VanDerWaalsContact OG1-CG 3.3Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.37Å; T168-Q171 PolarHBondContact OG1-N 3.35Å; T168-Q171 PolarHBondContact OG1-OE1 3Å; Q171-S173 VanDerWaalsContact C-N 3.31Å; Q171-S173 PolarHBondContact O-N 2.95Å; Q171-Q174 PolarHBondContact O-N 3.48Å; Q171-L175 WeakPolarHBondContact O-CB 3.36Å; Q171-L175 PolarHBondContact O-N 3.05Å |
| 172 | L | 77.4 | Confident | 74.1 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 173.2 | 179.5 | 65.1 | 0 | 0 | 0 | 111 | K158 L163 T168 R169 L175 L176 | K158-L172 HydrophobicContact CG-CD1 4.49Å; L163-L172 HydrophobicContact CD1-CD2 4.04Å; L163-L172 HydrophobicContact CD2-CB 4.22Å; L163-L172 HydrophobicContact CD2-CD1 4.25Å; L163-L172 HydrophobicContact CD2-CD2 4.07Å; L163-L172 HydrophobicContact CD2-CG 4.39Å; L163-L172 HydrophobicContact CG-CD2 4.28Å; T168-L172 PolarHBondContact O-N 2.95Å; T168-L172 VanDerWaalsContact O-N 3.08Å; R169-L172 PolarHBondContact O-N 3.2Å; L172-L175 PolarHBondContact O-N 3.39Å; L172-L176 HydrophobicContact CD1-CD1 4.22Å; L172-L176 HydrophobicContact CD1-CG 4.23Å; L172-L176 HydrophobicContact CG-CD1 3.94Å; L172-L176 HydrophobicContact CG-CG 4.39Å; L172-L176 WeakPolarHBondContact O-CB 3.31Å; L172-L176 VanDerWaalsContact O-CG 3.24Å; L172-L176 WeakPolarHBondContact O-CG 3.19Å; L172-L176 PolarHBondContact O-N 3.31Å |
| 173 | S | 82.1 | Confident | 75.2 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 46% | 0.462 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | R169 D170 Q171 L176 L177 | R169-S173 PolarHBondContact O-N 3.13Å; D170-S173 WeakPolarHBondContact O-CB 3.09Å; D170-S173 PolarHBondContact O-N 3.17Å; Q171-S173 VanDerWaalsContact C-N 3.31Å; Q171-S173 PolarHBondContact O-N 2.95Å; S173-L176 PolarHBondContact O-N 3.5Å; S173-L177 WeakPolarHBondContact O-CG 3.35Å; S173-L177 PolarHBondContact O-N 3.12Å; S173-L177 VanDerWaalsContact O-N 3.08Å |
| 174 | Q | 79.4 | Confident | 76.4 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.8 | -72 | 179.8 | -8.7 | 0 | 0 | 111.9 | D170 Q171 L176 L177 I178 S229 | D170-Q174 PolarHBondContact O-N 3.01Å; Q171-Q174 PolarHBondContact O-N 3.48Å; Q174-L176 PolarHBondContact O-N 3.19Å; Q174-L177 PolarHBondContact O-N 3.11Å; Q174-I178 WeakPolarHBondContact O-CG1 3.25Å; Q174-I178 PolarHBondContact O-N 3.26Å; Q174-I178 VanDerWaalsContact O-N 3.07Å; Q174-S229 PolarHBondContact OE1-OG 2.92Å |
| 175 | L | 77.4 | Confident | 78 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.6 | 178.6 | 66.5 | 0 | 0 | 0 | 111.8 | Q171 L172 L177 I178 F179 A226 | Q171-L175 WeakPolarHBondContact O-CB 3.36Å; Q171-L175 PolarHBondContact O-N 3.05Å; L172-L175 PolarHBondContact O-N 3.39Å; L175-L177 VanDerWaalsContact C-N 3.29Å; L175-L177 PolarHBondContact O-N 2.87Å; L175-I178 PolarHBondContact O-N 3.49Å; L175-F179 HydrophobicContact CD1-CD1 4.27Å; L175-F179 HydrophobicContact CD1-CE1 3.82Å; L175-F179 HydrophobicContact CD1-CE2 4.41Å; L175-F179 HydrophobicContact CD1-CZ 3.91Å; L175-F179 HydrophobicContact CD2-CE2 4.34Å; L175-F179 HydrophobicContact CD2-CZ 4.43Å; L175-F179 HydrophobicContact CG-CD2 4.44Å; L175-F179 HydrophobicContact CG-CE1 4.42Å; L175-F179 HydrophobicContact CG-CE2 4.19Å; L175-F179 HydrophobicContact CG-CZ 4.18Å; L175-F179 PolarHBondContact O-N 3.03Å; L175-A226 HydrophobicContact CD1-CB 3.76Å; L175-A226 HydrophobicContact CD2-CB 3.58Å; L175-A226 HydrophobicContact CG-CB 4.14Å |
| 176 | L | 83.3 | Confident | 79.6 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 178.6 | -72.2 | 168.6 | 0 | 0 | 0 | 111.6 | I155 K158 W159 L172 S173 Q174 F179 V180 | I155-L176 HydrophobicContact CG2-CD2 4.01Å; I155-L176 WeakPolarHBondContact O-CD2 3.35Å; K158-L176 HydrophobicContact CB-CD2 4.1Å; K158-L176 HydrophobicContact CG-CD2 4.14Å; W159-L176 HydrophobicContact CB-CD1 3.72Å; W159-L176 HydrophobicContact CB-CD2 4.11Å; W159-L176 HydrophobicContact CG-CD1 3.94Å; L172-L176 HydrophobicContact CD1-CD1 4.22Å; L172-L176 HydrophobicContact CD1-CG 4.23Å; L172-L176 HydrophobicContact CG-CD1 3.94Å; L172-L176 HydrophobicContact CG-CG 4.39Å; L172-L176 WeakPolarHBondContact O-CB 3.31Å; L172-L176 VanDerWaalsContact O-CG 3.24Å; L172-L176 WeakPolarHBondContact O-CG 3.19Å; L172-L176 PolarHBondContact O-N 3.31Å; S173-L176 PolarHBondContact O-N 3.5Å; Q174-L176 PolarHBondContact O-N 3.19Å; L176-F179 PolarHBondContact O-N 3.05Å; L176-V180 VanDerWaalsContact O-CG2 3.31Å; L176-V180 WeakPolarHBondContact O-CG2 3.18Å; L176-V180 PolarHBondContact O-N 3.31Å |
| 177 | L | 82.1 | Confident | 81.3 | Confident | 120 Ų | 120 | 52.4 Ų | 52.4 | 63% | 0.628 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 174.5 | -72.1 | 171.5 | 0 | 0 | 0 | 112.2 | S173 Q174 L175 F179 V180 G181 | S173-L177 WeakPolarHBondContact O-CG 3.35Å; S173-L177 PolarHBondContact O-N 3.12Å; S173-L177 VanDerWaalsContact O-N 3.08Å; Q174-L177 PolarHBondContact O-N 3.11Å; L175-L177 VanDerWaalsContact C-N 3.29Å; L175-L177 PolarHBondContact O-N 2.87Å; L177-F179 VanDerWaalsContact C-N 3.33Å; L177-V180 PolarHBondContact O-N 3.42Å; L177-G181 PolarHBondContact O-N 3.29Å; L177-G181 VanDerWaalsContact O-N 3.12Å |
| 178 | I | 80 | Confident | 82.5 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 173.6 | -65.9 | 164.8 | 0 | 0 | 0 | 110.1 | Q174 L175 V180 G181 T182 | Q174-I178 WeakPolarHBondContact O-CG1 3.25Å; Q174-I178 PolarHBondContact O-N 3.26Å; Q174-I178 VanDerWaalsContact O-N 3.07Å; L175-I178 PolarHBondContact O-N 3.49Å; I178-V180 VanDerWaalsContact C-N 3.31Å; I178-V180 PolarHBondContact O-N 3.33Å; I178-G181 PolarHBondContact O-N 3.3Å; I178-G181 VanDerWaalsContact O-N 3.15Å; I178-T182 HydrophobicContact CG2-CG2 4.24Å; I178-T182 VanDerWaalsContact O-CG2 3.32Å; I178-T182 WeakPolarHBondContact O-CG2 3.49Å; I178-T182 PolarHBondContact O-N 3.12Å; I178-T182 PolarHBondContact O-OG1 2.79Å |
| 179 | F | 84.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -32.4 | 176.8 | -76.2 | -3.7 | 0 | 0 | 0 | 113.7 | I155 K158 L175 L176 L177 T182 A183 F220 H223 | I155-F179 HydrophobicContact CG1-CB 4.32Å; K158-F179 HydrophobicContact CB-CE2 4.49Å; K158-F179 HydrophobicContact CG-CD2 4.36Å; K158-F179 HydrophobicContact CG-CE2 3.99Å; L175-F179 HydrophobicContact CD1-CD1 4.27Å; L175-F179 HydrophobicContact CD1-CE1 3.82Å; L175-F179 HydrophobicContact CD1-CE2 4.41Å; L175-F179 HydrophobicContact CD1-CZ 3.91Å; L175-F179 HydrophobicContact CD2-CE2 4.34Å; L175-F179 HydrophobicContact CD2-CZ 4.43Å; L175-F179 HydrophobicContact CG-CD2 4.44Å; L175-F179 HydrophobicContact CG-CE1 4.42Å; L175-F179 HydrophobicContact CG-CE2 4.19Å; L175-F179 HydrophobicContact CG-CZ 4.18Å; L175-F179 PolarHBondContact O-N 3.03Å; L176-F179 PolarHBondContact O-N 3.05Å; L177-F179 VanDerWaalsContact C-N 3.33Å; F179-T182 WeakPolarHBondContact CA-OG1 3.42Å; F179-T182 PolarHBondContact O-OG1 3.48Å; F179-T182 VanDerWaalsContact O-OG1 3.11Å; F179-A183 WeakPolarHBondContact O-CB 3.37Å; F179-A183 PolarHBondContact O-N 3.05Å; F179-F220 HydrophobicContact CB-CD1 4.43Å; F179-F220 HydrophobicContact CB-CE1 4.06Å; F179-F220 HydrophobicContact CD1-CD1 4.4Å; F179-F220 HydrophobicContact CD2-CD1 4.08Å; F179-F220 HydrophobicContact CE2-CD1 4.35Å; F179-F220 HydrophobicContact CG-CD1 4.09Å; F179-F220 HydrophobicContact CG-CE1 4.17Å; F179-H223 AromaticContact CZ-ND1 3.93Å |
| 180 | V | 87.1 | Confident | 83.9 | Confident | 74 Ų | 74 | 40.9 Ų | 40.9 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.5 | -44 | 172.4 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | I155 L176 L177 I178 A183 A184 | I155-V180 HydrophobicContact CD1-CG2 3.93Å; I155-V180 HydrophobicContact CG2-CG2 4.14Å; L176-V180 VanDerWaalsContact O-CG2 3.31Å; L176-V180 WeakPolarHBondContact O-CG2 3.18Å; L176-V180 PolarHBondContact O-N 3.31Å; L177-V180 PolarHBondContact O-N 3.42Å; I178-V180 VanDerWaalsContact C-N 3.31Å; I178-V180 PolarHBondContact O-N 3.33Å; V180-A183 PolarHBondContact O-N 3.19Å; V180-A184 WeakPolarHBondContact O-CB 3.33Å; V180-A184 PolarHBondContact O-N 3Å |
| 181 | G | 84.8 | Confident | 84.5 | Confident | 35 Ų | 35 | 37 Ų | 37 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L177 I178 A183 A184 D185 | L177-G181 PolarHBondContact O-N 3.29Å; L177-G181 VanDerWaalsContact O-N 3.12Å; I178-G181 PolarHBondContact O-N 3.3Å; I178-G181 VanDerWaalsContact O-N 3.15Å; G181-A183 PolarHBondContact O-N 3.34Å; G181-A184 WeakPolarHBondContact O-CB 3.39Å; G181-A184 PolarHBondContact O-N 3.26Å; G181-D185 PolarHBondContact O-N 3.1Å |
| 182 | T | 85.9 | Confident | 85 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.6 | -39.9 | 179.1 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | I178 F179 A184 D185 I186 Q219 | I178-T182 HydrophobicContact CG2-CG2 4.24Å; I178-T182 VanDerWaalsContact O-CG2 3.32Å; I178-T182 WeakPolarHBondContact O-CG2 3.49Å; I178-T182 PolarHBondContact O-N 3.12Å; I178-T182 PolarHBondContact O-OG1 2.79Å; F179-T182 WeakPolarHBondContact CA-OG1 3.42Å; F179-T182 PolarHBondContact O-OG1 3.48Å; F179-T182 VanDerWaalsContact O-OG1 3.11Å; T182-A184 VanDerWaalsContact C-N 3.3Å; T182-A184 PolarHBondContact O-N 3.39Å; T182-D185 PolarHBondContact O-N 3.36Å; T182-I186 WeakPolarHBondContact O-CB 3.4Å; T182-I186 WeakPolarHBondContact O-CD1 3.32Å; T182-I186 WeakPolarHBondContact O-CG1 3.19Å; T182-I186 PolarHBondContact O-N 3.21Å; T182-Q219 VanDerWaalsContact CG2-NE2 3.29Å |
| 183 | A | 89.2 | Confident | 85.2 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L151 I155 F179 V180 G181 L187 F220 | L151-A183 HydrophobicContact CB-CB 4.15Å; L151-A183 HydrophobicContact CD1-CB 4.22Å; L151-A183 WeakPolarHBondContact CD1-O 3.27Å; L151-A183 HydrophobicContact CD2-CB 3.78Å; L151-A183 HydrophobicContact CG-CB 4.28Å; I155-A183 HydrophobicContact CD1-CB 4Å; F179-A183 WeakPolarHBondContact O-CB 3.37Å; F179-A183 PolarHBondContact O-N 3.05Å; V180-A183 PolarHBondContact O-N 3.19Å; G181-A183 PolarHBondContact O-N 3.34Å; A183-L187 VanDerWaalsContact O-CB 3.24Å; A183-L187 WeakPolarHBondContact O-CB 3.37Å; A183-L187 PolarHBondContact O-N 3.43Å; A183-F220 HydrophobicContact CB-CZ 4.08Å |
| 184 | A | 89.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 36.5 Ų | 36.5 | 43% | 0.43 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V180 G181 T182 L187 E188 | V180-A184 WeakPolarHBondContact O-CB 3.33Å; V180-A184 PolarHBondContact O-N 3Å; G181-A184 WeakPolarHBondContact O-CB 3.39Å; G181-A184 PolarHBondContact O-N 3.26Å; T182-A184 VanDerWaalsContact C-N 3.3Å; T182-A184 PolarHBondContact O-N 3.39Å; A184-L187 PolarHBondContact O-N 3.11Å; A184-E188 WeakPolarHBondContact O-CB 3.32Å; A184-E188 PolarHBondContact O-N 2.91Å |
| 185 | D | 88.3 | Confident | 84.8 | Confident | 43 Ų | 43 | 32.9 Ų | 32.9 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 178.2 | -69.7 | -27.7 | 0 | 0 | 0 | 112.4 | G181 T182 E188 F189 H267 K295 | G181-D185 PolarHBondContact O-N 3.1Å; T182-D185 PolarHBondContact O-N 3.36Å; D185-E188 PolarHBondContact O-N 3.39Å; D185-F189 WeakPolarHBondContact O-CB 3.38Å; D185-F189 PolarHBondContact O-N 3.15Å; D185-H267 WeakPolarHBondContact CB-CE1 3.14Å; D185-H267 WeakPolarHBondContact CB-NE2 3.34Å; D185-H267 IonicContact OD2-CE1 3.14Å; D185-K295 IonicContact OD1-NZ 3.92Å; D185-K295 PolarHBondContact OD1-NZ 3.49Å |
| 186 | I | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 174.7 | -66.1 | 164.4 | 0 | 0 | 0 | 110.7 | T182 N190 M217 F220 F271 | T182-I186 WeakPolarHBondContact O-CB 3.4Å; T182-I186 WeakPolarHBondContact O-CD1 3.32Å; T182-I186 WeakPolarHBondContact O-CG1 3.19Å; T182-I186 PolarHBondContact O-N 3.21Å; I186-N190 WeakPolarHBondContact O-CB 3.4Å; I186-N190 PolarHBondContact O-N 3.3Å; I186-M217 HydrophobicContact CG2-CE 3.62Å; I186-F220 HydrophobicContact CD1-CE2 3.81Å; I186-F220 HydrophobicContact CD1-CZ 4.2Å; I186-F271 HydrophobicContact CB-CZ 4.45Å; I186-F271 HydrophobicContact CG1-CE2 4.27Å; I186-F271 HydrophobicContact CG1-CZ 3.94Å |
| 187 | L | 90.2 | Very high | 83.9 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | 179.3 | -177.2 | 64.2 | 0 | 0 | 0 | 111.1 | L144 H147 Q148 L151 A183 A184 N190 S191 | L144-L187 HydrophobicContact CD1-CD1 4.13Å; H147-L187 HydrophobicContact CB-CD1 4.26Å; Q148-L187 HydrophobicContact CG-CD1 3.87Å; Q148-L187 HydrophobicContact CG-CD2 3.78Å; Q148-L187 HydrophobicContact CG-CG 4.5Å; L151-L187 HydrophobicContact CD1-CB 3.73Å; L151-L187 HydrophobicContact CD1-CD1 4.31Å; L151-L187 HydrophobicContact CD1-CG 4.45Å; A183-L187 VanDerWaalsContact O-CB 3.24Å; A183-L187 WeakPolarHBondContact O-CB 3.37Å; A183-L187 PolarHBondContact O-N 3.43Å; A184-L187 PolarHBondContact O-N 3.11Å; L187-N190 PolarHBondContact O-N 3.03Å; L187-S191 WeakPolarHBondContact O-CB 3.32Å; L187-S191 PolarHBondContact O-N 3.22Å; L187-S191 PolarHBondContact O-OG 2.92Å |
| 188 | E | 88.9 | Confident | 83.2 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 17% | 0.168 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.5 | -48 | 176.7 | -177.6 | -150.7 | 104.7 | 0 | 0 | 110.8 | A184 D185 N190 S191 E192 R275 F292 K295 | A184-E188 WeakPolarHBondContact O-CB 3.32Å; A184-E188 PolarHBondContact O-N 2.91Å; D185-E188 PolarHBondContact O-N 3.39Å; E188-N190 PolarHBondContact O-N 3.41Å; E188-S191 PolarHBondContact O-OG 3.49Å; E188-E192 WeakPolarHBondContact O-CB 3.16Å; E188-E192 WeakPolarHBondContact O-CG 3.38Å; E188-E192 PolarHBondContact O-N 3.5Å; E188-E192 VanDerWaalsContact O-N 3.1Å; E188-R275 IonicContact OE1-CZ 3.89Å; E188-R275 IonicContact OE1-NH1 3.96Å; E188-R275 IonicContact OE1-NH2 2.93Å; E188-R275 PolarHBondContact OE1-NH2 2.84Å; E188-F292 HydrophobicContact CG-CD1 4.41Å; E188-F292 HydrophobicContact CG-CD2 4.06Å; E188-F292 HydrophobicContact CG-CE1 3.95Å; E188-F292 HydrophobicContact CG-CE2 3.53Å; E188-F292 HydrophobicContact CG-CG 4.47Å; E188-F292 HydrophobicContact CG-CZ 3.46Å; E188-F292 VanDerWaalsContact CG-CZ 3.46Å; E188-F292 WeakPolarHBondContact OE1-CD1 3.49Å; E188-F292 WeakPolarHBondContact OE1-CD2 3.31Å; E188-F292 WeakPolarHBondContact OE1-CE1 3.41Å; E188-F292 WeakPolarHBondContact OE1-CG 3.3Å; E188-F292 WeakPolarHBondContact OE2-CE1 2.95Å; E188-F292 WeakPolarHBondContact OE2-CZ 3.47Å; E188-K295 IonicContact OE2-NZ 3.84Å; E188-K295 PolarHBondContact OE2-NZ 3.01Å |
| 189 | F | 88.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.8 | -49.5 | 175.4 | 171.2 | -103.8 | 0 | 0 | 0 | 111.4 | D185 T193 I209 V212 F271 V274 R275 | D185-F189 WeakPolarHBondContact O-CB 3.38Å; D185-F189 PolarHBondContact O-N 3.15Å; F189-T193 WeakPolarHBondContact CD2-OG1 3.45Å; F189-T193 HydrophobicContact CE2-CG2 4.15Å; F189-T193 WeakPolarHBondContact O-CB 3.24Å; F189-T193 PolarHBondContact O-N 3.46Å; F189-T193 PolarHBondContact O-OG1 3.44Å; F189-I209 HydrophobicContact CE1-CG2 4.02Å; F189-I209 HydrophobicContact CZ-CG2 4.38Å; F189-V212 HydrophobicContact CE1-CB 4.42Å; F189-V212 HydrophobicContact CE1-CG1 3.85Å; F189-V212 HydrophobicContact CZ-CG1 4.05Å; F189-F271 HydrophobicContact CB-CD2 3.72Å; F189-F271 HydrophobicContact CB-CE2 3.69Å; F189-F271 HydrophobicContact CB-CG 4.25Å; F189-F271 HydrophobicContact CB-CZ 4.23Å; F189-F271 AromaticContact CD1-CD1 3.9Å; F189-F271 HydrophobicContact CD1-CD1 3.9Å; F189-F271 HydrophobicContact CD1-CD2 4.37Å; F189-F271 AromaticContact CD1-CE1 3.8Å; F189-F271 HydrophobicContact CD1-CE1 3.8Å; F189-F271 HydrophobicContact CD1-CE2 4.24Å; F189-F271 HydrophobicContact CD1-CG 4.19Å; F189-F271 AromaticContact CD1-CZ 3.96Å; F189-F271 HydrophobicContact CD1-CZ 3.96Å; F189-F271 HydrophobicContact CD2-CB 3.91Å; F189-F271 HydrophobicContact CD2-CD1 4.21Å; F189-F271 HydrophobicContact CD2-CD2 4.15Å; F189-F271 AromaticContact CD2-CG 3.83Å; F189-F271 HydrophobicContact CD2-CG 3.83Å; F189-F271 AromaticContact CE1-CD1 3.99Å; F189-F271 HydrophobicContact CE1-CD1 3.99Å; F189-F271 HydrophobicContact CE1-CE1 4.08Å; F189-F271 HydrophobicContact CE2-CB 4.13Å; F189-F271 HydrophobicContact CE2-CD1 4.3Å; F189-F271 HydrophobicContact CE2-CG 4.23Å; F189-F271 HydrophobicContact CG-CB 4.39Å; F189-F271 HydrophobicContact CG-CD1 4.01Å; F189-F271 AromaticContact CG-CD2 3.82Å; F189-F271 HydrophobicContact CG-CD2 3.82Å; F189-F271 HydrophobicContact CG-CE1 4.21Å; F189-F271 AromaticContact CG-CE2 3.99Å; F189-F271 HydrophobicContact CG-CE2 3.99Å; F189-F271 AromaticContact CG-CG 3.81Å; F189-F271 HydrophobicContact CG-CG 3.81Å; F189-F271 HydrophobicContact CG-CZ 4.18Å; F189-F271 HydrophobicContact CZ-CD1 4.19Å; F189-V274 HydrophobicContact CE2-CB 4.06Å; F189-V274 HydrophobicContact CE2-CG1 4.11Å; F189-V274 HydrophobicContact CZ-CB 3.93Å; F189-V274 HydrophobicContact CZ-CG1 3.88Å; F189-V274 HydrophobicContact CZ-CG2 4.31Å; F189-R275 HydrophobicContact CD2-CG 4.48Å; F189-R275 HydrophobicContact CE2-CG 4.36Å |
| 190 | N | 88.3 | Confident | 81.7 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -68.3 | -47.2 | -177.6 | -166.2 | 42.4 | 0 | 0 | 0 | 111.7 | H147 I186 L187 E188 E192 L194 | H147-N190 PolarHBondContact CD2-ND2 2.99Å; H147-N190 PolarHBondContact NE2-ND2 2.98Å; I186-N190 WeakPolarHBondContact O-CB 3.4Å; I186-N190 PolarHBondContact O-N 3.3Å; L187-N190 PolarHBondContact O-N 3.03Å; E188-N190 PolarHBondContact O-N 3.41Å; N190-E192 PolarHBondContact O-N 2.9Å; N190-L194 WeakPolarHBondContact O-CB 3.08Å; N190-L194 PolarHBondContact O-N 3.31Å; N190-L194 WeakPolarHBondContact OD1-CD1 3.16Å |
| 191 | S | 84.4 | Confident | 80.9 | Confident | 42 Ų | 42 | 33.3 Ų | 33.3 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | I | π-helix | trans | -67.2 | -39.6 | -175.7 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | L187 E188 G195 | L187-S191 WeakPolarHBondContact O-CB 3.32Å; L187-S191 PolarHBondContact O-N 3.22Å; L187-S191 PolarHBondContact O-OG 2.92Å; E188-S191 PolarHBondContact O-OG 3.49Å; S191-G195 PolarHBondContact O-N 2.87Å |
| 192 | E | 83.3 | Confident | 80.5 | Confident | 73 Ų | 73 | 32.7 Ų | 32.7 | 34% | 0.341 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -79.9 | -52.7 | -179.6 | -64.6 | -63.7 | 132.6 | 0 | 0 | 111.2 | E188 N190 G195 D196 F292 | E188-E192 WeakPolarHBondContact O-CB 3.16Å; E188-E192 WeakPolarHBondContact O-CG 3.38Å; E188-E192 PolarHBondContact O-N 3.5Å; E188-E192 VanDerWaalsContact O-N 3.1Å; N190-E192 PolarHBondContact O-N 2.9Å; E192-G195 PolarHBondContact O-N 3.33Å; E192-D196 PolarHBondContact O-N 2.52Å; E192-F292 HydrophobicContact CG-CE2 4.26Å |
| 193 | T | 81.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -71.2 | -41.1 | -172.6 | -39.6 | 0 | 0 | 0 | 0 | 111.4 | F189 G195 D196 V197 I209 V274 V278 | F189-T193 WeakPolarHBondContact CD2-OG1 3.45Å; F189-T193 HydrophobicContact CE2-CG2 4.15Å; F189-T193 WeakPolarHBondContact O-CB 3.24Å; F189-T193 PolarHBondContact O-N 3.46Å; F189-T193 PolarHBondContact O-OG1 3.44Å; T193-G195 VanDerWaalsContact C-N 3.34Å; T193-D196 PolarHBondContact O-N 2.82Å; T193-V197 WeakPolarHBondContact O-CG2 3.21Å; T193-V197 PolarHBondContact O-N 2.84Å; T193-V197 VanDerWaalsContact O-N 3.12Å; T193-I209 HydrophobicContact CG2-CD1 4Å; T193-I209 HydrophobicContact CG2-CG1 4.42Å; T193-V274 HydrophobicContact CG2-CG1 4.09Å; T193-V278 HydrophobicContact CG2-CG2 4.07Å |
| 194 | L | 80.4 | Confident | 80.2 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -69.9 | -36.8 | 175.3 | -161 | 139 | 0 | 0 | 0 | 110.2 | E84 N190 D196 V197 N198 I209 L210 | E84-L194 VanDerWaalsContact CD-CD2 3.43Å; E84-L194 HydrophobicContact CG-CD1 3.98Å; E84-L194 HydrophobicContact CG-CD2 4.15Å; E84-L194 VanDerWaalsContact OE1-CD2 3.24Å; E84-L194 WeakPolarHBondContact OE1-CD2 3.3Å; N190-L194 WeakPolarHBondContact O-CB 3.08Å; N190-L194 PolarHBondContact O-N 3.31Å; N190-L194 WeakPolarHBondContact OD1-CD1 3.16Å; L194-D196 VanDerWaalsContact C-N 3.28Å; L194-D196 PolarHBondContact O-N 2.85Å; L194-V197 PolarHBondContact O-N 3.25Å; L194-N198 WeakPolarHBondContact CD2-ND2 3.21Å; L194-N198 WeakPolarHBondContact CD2-OD1 3.22Å; L194-N198 VanDerWaalsContact O-CB 3.3Å; L194-N198 WeakPolarHBondContact O-CB 3.35Å; L194-N198 PolarHBondContact O-N 3.46Å; L194-N198 PolarHBondContact O-ND2 3.49Å; L194-N198 PolarHBondContact O-OD1 3.37Å; L194-I209 HydrophobicContact CB-CG2 4.2Å; L194-I209 HydrophobicContact CD1-CG2 3.89Å; L194-I209 HydrophobicContact CG-CG2 4.5Å; L194-L210 HydrophobicContact CD1-CD2 4.17Å; L194-L210 HydrophobicContact CD1-CG 4.34Å |
| 195 | G | 72.3 | Confident | 80 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.4 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S191 E192 T193 | S191-G195 PolarHBondContact O-N 2.87Å; E192-G195 PolarHBondContact O-N 3.33Å; T193-G195 VanDerWaalsContact C-N 3.34Å |
| 196 | D | 70.4 | Confident | 80 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -76.5 | -44.4 | 178.3 | -73.1 | -25.2 | 0 | 0 | 0 | 112.6 | E192 T193 L194 N198 R199 E200 H286 L289 | E192-D196 PolarHBondContact O-N 2.52Å; T193-D196 PolarHBondContact O-N 2.82Å; L194-D196 VanDerWaalsContact C-N 3.28Å; L194-D196 PolarHBondContact O-N 2.85Å; D196-N198 PolarHBondContact O-N 3.09Å; D196-R199 VanDerWaalsContact O-CB 3.27Å; D196-R199 WeakPolarHBondContact O-CB 3.21Å; D196-R199 PolarHBondContact O-N 2.69Å; D196-R199 IonicContact OD1-CZ 3.07Å; D196-R199 IonicContact OD1-NH1 2.83Å; D196-R199 PolarHBondContact OD1-NH1 3.3Å; D196-R199 VanDerWaalsContact OD1-NH1 3.14Å; D196-E200 PolarHBondContact O-N 3.39Å; D196-H286 IonicContact OD1-CD2 3.33Å; D196-H286 PolarHBondContact OD1-CD2 3.32Å; D196-H286 IonicContact OD1-NE2 3.75Å; D196-H286 IonicContact OD2-CD2 3.49Å; D196-H286 PolarHBondContact OD2-CD2 2.97Å; D196-L289 WeakPolarHBondContact OD2-CD1 3.46Å |
| 197 | V | 71.7 | Confident | 80 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -34.9 | 175.9 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | T193 L194 R199 E200 N201 L205 V206 I209 V278 | T193-V197 WeakPolarHBondContact O-CG2 3.21Å; T193-V197 PolarHBondContact O-N 2.84Å; T193-V197 VanDerWaalsContact O-N 3.12Å; L194-V197 PolarHBondContact O-N 3.25Å; V197-R199 PolarHBondContact O-N 2.84Å; V197-R199 VanDerWaalsContact O-N 3.16Å; V197-E200 PolarHBondContact O-N 2.96Å; V197-N201 PolarHBondContact O-N 2.91Å; V197-L205 HydrophobicContact CB-CB 4.49Å; V197-L205 HydrophobicContact CG1-CB 3.58Å; V197-L205 HydrophobicContact CG1-CD1 4.29Å; V197-L205 HydrophobicContact CG2-CB 4.05Å; V197-L205 HydrophobicContact CG2-CD1 3.62Å; V197-V206 HydrophobicContact CG1-CG2 3.67Å; V197-I209 HydrophobicContact CB-CD1 4Å; V197-I209 HydrophobicContact CG1-CD1 4.37Å; V197-I209 HydrophobicContact CG2-CD1 3.56Å; V197-V278 HydrophobicContact CG2-CG2 4.03Å |
| 198 | N | 68.1 | Low | 80.1 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -21.9 | 175.1 | -67.1 | -3 | 0 | 0 | 0 | 113.1 | Q88 R91 L194 D196 | Q88-N198 VanDerWaalsContact CD-CG 3.44Å; Q88-N198 PolarHBondContact NE2-ND2 3.4Å; Q88-N198 PolarHBondContact NE2-OD1 3.23Å; Q88-N198 PolarHBondContact OE1-OD1 2.87Å; Q88-N198 VanDerWaalsContact OE1-OD1 3.04Å; R91-N198 PolarHBondContact NH1-O 2.94Å; L194-N198 WeakPolarHBondContact CD2-ND2 3.21Å; L194-N198 WeakPolarHBondContact CD2-OD1 3.22Å; L194-N198 VanDerWaalsContact O-CB 3.3Å; L194-N198 WeakPolarHBondContact O-CB 3.35Å; L194-N198 PolarHBondContact O-N 3.46Å; L194-N198 PolarHBondContact O-ND2 3.49Å; L194-N198 PolarHBondContact O-OD1 3.37Å; D196-N198 PolarHBondContact O-N 3.09Å |
| 199 | R | 66.4 | Low | 80.2 | Confident | 162 Ų | 162 | 46.9 Ų | 46.9 | 61% | 0.611 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -80.8 | -34.2 | 174.8 | -60.4 | 171.7 | -178.3 | 169.4 | 2.8 | 111.4 | D196 V197 H286 | D196-R199 VanDerWaalsContact O-CB 3.27Å; D196-R199 WeakPolarHBondContact O-CB 3.21Å; D196-R199 PolarHBondContact O-N 2.69Å; D196-R199 IonicContact OD1-CZ 3.07Å; D196-R199 IonicContact OD1-NH1 2.83Å; D196-R199 PolarHBondContact OD1-NH1 3.3Å; D196-R199 VanDerWaalsContact OD1-NH1 3.14Å; V197-R199 PolarHBondContact O-N 2.84Å; V197-R199 VanDerWaalsContact O-N 3.16Å; R199-H286 PolarHBondContact NH1-NE2 3.41Å |
| 200 | E | 66.4 | Low | 80.4 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -91.8 | -7.5 | -175.5 | -59.8 | -168.3 | 127.4 | 0 | 0 | 113.7 | D196 V197 S202 F282 T284 | D196-E200 PolarHBondContact O-N 3.39Å; V197-E200 PolarHBondContact O-N 2.96Å; E200-S202 VanDerWaalsContact C-N 3.31Å; E200-S202 PolarHBondContact O-N 3.39Å; E200-F282 HydrophobicContact CB-CD1 4.05Å; E200-F282 HydrophobicContact CB-CE1 4.45Å; E200-F282 WeakPolarHBondContact OE1-CB 3.42Å; E200-F282 WeakPolarHBondContact OE2-CB 3.36Å; E200-F282 WeakPolarHBondContact OE2-CD1 3.34Å; E200-F282 WeakPolarHBondContact OE2-CG 3.4Å; E200-T284 VanDerWaalsContact CD-CG2 3.43Å; E200-T284 HydrophobicContact CG-CG2 4.29Å; E200-T284 WeakPolarHBondContact OE1-CG2 3.25Å |
| 201 | N | 69.2 | Low | 80.6 | Confident | 68 Ų | 68 | 48 Ų | 48 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 34 | 161.9 | -162.7 | 75.8 | 0 | 0 | 0 | 113.1 | E92 V197 | E92-N201 VanDerWaalsContact CG-CG 3.44Å; E92-N201 WeakPolarHBondContact CG-ND2 2.88Å; E92-N201 WeakPolarHBondContact CG-OD1 3.06Å; V197-N201 PolarHBondContact O-N 2.91Å |
| 202 | S | 77.8 | Confident | 81 | Confident | 22 Ų | 22 | 47 Ų | 47 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | trans | -100.6 | 103.7 | 178.9 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | E200 E204 L205 V206 F282 | E200-S202 VanDerWaalsContact C-N 3.31Å; E200-S202 PolarHBondContact O-N 3.39Å; S202-E204 VanDerWaalsContact C-N 3.27Å; S202-E204 PolarHBondContact O-N 3.03Å; S202-L205 PolarHBondContact O-N 2.99Å; S202-V206 PolarHBondContact O-N 3.14Å; S202-F282 WeakPolarHBondContact OG-CE1 3.39Å; S202-F282 WeakPolarHBondContact OG-CZ 3.15Å | ||
| 203 | R | 82.2 | Confident | 81.4 | Confident | 129 Ų | 129 | 43.6 Ų | 43.6 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.4 | -40.2 | -179.6 | -63.7 | -178.3 | -175.8 | -179.1 | -1.7 | 113.1 | E92 L205 V206 Y207 | E92-R203 WeakPolarHBondContact OE1-CD 3.47Å; E92-R203 WeakPolarHBondContact OE1-CG 3.42Å; E92-R203 IonicContact OE1-CZ 3.75Å; E92-R203 IonicContact OE1-NE 2.77Å; E92-R203 PolarHBondContact OE1-NE 3.05Å; E92-R203 IonicContact OE1-NH2 3.9Å; E92-R203 IonicContact OE2-CZ 3.09Å; E92-R203 IonicContact OE2-NE 2.84Å; E92-R203 PolarHBondContact OE2-NE 3.06Å; E92-R203 IonicContact OE2-NH2 2.62Å; E92-R203 PolarHBondContact OE2-NH2 3.29Å; R203-L205 VanDerWaalsContact C-N 3.31Å; R203-L205 PolarHBondContact O-N 3.19Å; R203-V206 WeakPolarHBondContact O-CB 3.29Å; R203-V206 PolarHBondContact O-N 3.24Å; R203-Y207 WeakPolarHBondContact O-CD2 3.28Å; R203-Y207 PolarHBondContact O-N 3.08Å |
| 204 | E | 85.7 | Confident | 82 | Confident | 164 Ų | 164 | 45.3 Ų | 45.3 | 77% | 0.766 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.6 | -42.3 | -175.9 | -63.7 | 177.7 | -179.3 | 0 | 0 | 111.4 | S202 V206 Y207 V208 | S202-E204 VanDerWaalsContact C-N 3.27Å; S202-E204 PolarHBondContact O-N 3.03Å; E204-V206 PolarHBondContact O-N 2.64Å; E204-Y207 PolarHBondContact O-N 3.21Å; E204-V208 WeakPolarHBondContact O-CG2 3.29Å; E204-V208 PolarHBondContact O-N 3.04Å; E204-V208 VanDerWaalsContact O-N 3.1Å |
| 205 | L | 85.6 | Confident | 82.5 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -35.6 | 177.3 | -76 | -163.6 | 0 | 0 | 0 | 112.9 | V197 S202 R203 Y207 V208 I209 I277 V278 F282 | V197-L205 HydrophobicContact CB-CB 4.49Å; V197-L205 HydrophobicContact CG1-CB 3.58Å; V197-L205 HydrophobicContact CG1-CD1 4.29Å; V197-L205 HydrophobicContact CG2-CB 4.05Å; V197-L205 HydrophobicContact CG2-CD1 3.62Å; S202-L205 PolarHBondContact O-N 2.99Å; R203-L205 VanDerWaalsContact C-N 3.31Å; R203-L205 PolarHBondContact O-N 3.19Å; L205-Y207 VanDerWaalsContact C-N 3.29Å; L205-Y207 PolarHBondContact O-N 2.99Å; L205-V208 PolarHBondContact O-N 3.44Å; L205-V208 VanDerWaalsContact O-N 3.17Å; L205-I209 WeakPolarHBondContact O-CB 3.47Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.14Å; L205-I209 PolarHBondContact O-N 3.16Å; L205-I277 HydrophobicContact CD2-CG2 3.93Å; L205-V278 HydrophobicContact CD1-CG2 4.01Å; L205-F282 HydrophobicContact CD1-CD2 3.57Å; L205-F282 HydrophobicContact CD1-CE1 4.26Å; L205-F282 HydrophobicContact CD1-CE2 3.05Å; L205-F282 HydrophobicContact CD1-CG 4.39Å; L205-F282 HydrophobicContact CD1-CZ 3.44Å; L205-F282 VanDerWaalsContact CD1-CZ 3.44Å; L205-F282 HydrophobicContact CD2-CE2 4.14Å; L205-F282 HydrophobicContact CG-CE2 3.66Å; L205-F282 HydrophobicContact CG-CZ 3.82Å |
| 206 | V | 88.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | E84 L85 Q88 V197 S202 R203 E204 I209 L210 | E84-V206 HydrophobicContact CG-CG1 4.3Å; L85-V206 HydrophobicContact CD2-CG1 4.07Å; Q88-V206 HydrophobicContact CG-CB 4.49Å; Q88-V206 HydrophobicContact CG-CG1 3.96Å; Q88-V206 HydrophobicContact CG-CG2 3.93Å; V197-V206 HydrophobicContact CG1-CG2 3.67Å; S202-V206 PolarHBondContact O-N 3.14Å; R203-V206 WeakPolarHBondContact O-CB 3.29Å; R203-V206 PolarHBondContact O-N 3.24Å; E204-V206 PolarHBondContact O-N 2.64Å; V206-I209 PolarHBondContact O-N 3.09Å; V206-L210 HydrophobicContact CG1-CD1 3.94Å; V206-L210 HydrophobicContact CG1-CG 4.39Å; V206-L210 WeakPolarHBondContact O-CB 3.3Å; V206-L210 VanDerWaalsContact O-CG 3.3Å; V206-L210 WeakPolarHBondContact O-CG 3.3Å; V206-L210 PolarHBondContact O-N 3.28Å |
| 207 | Y | 90.9 | Very high | 84.2 | Confident | 117 Ų | 117 | 49.4 Ų | 49.4 | 46% | 0.459 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 174 | -75.9 | -71.2 | 0 | 0 | 0 | 112.4 | W81 L85 R203 E204 L205 G211 | W81-Y207 HydrophobicContact CE3-CD1 4.41Å; W81-Y207 AromaticContact CZ3-CD1 3.8Å; W81-Y207 HydrophobicContact CZ3-CD1 3.8Å; W81-Y207 HydrophobicContact CZ3-CE1 4.34Å; L85-Y207 HydrophobicContact CD1-CD1 4.28Å; L85-Y207 HydrophobicContact CD1-CE1 3.44Å; L85-Y207 VanDerWaalsContact CD1-CE1 3.44Å; L85-Y207 HydrophobicContact CD2-CD1 3.98Å; L85-Y207 HydrophobicContact CD2-CD2 4.39Å; L85-Y207 HydrophobicContact CD2-CE1 3.56Å; L85-Y207 HydrophobicContact CD2-CE2 3.98Å; L85-Y207 HydrophobicContact CD2-CG 4.38Å; L85-Y207 HydrophobicContact CG-CE1 4.15Å; R203-Y207 WeakPolarHBondContact O-CD2 3.28Å; R203-Y207 PolarHBondContact O-N 3.08Å; E204-Y207 PolarHBondContact O-N 3.21Å; L205-Y207 VanDerWaalsContact C-N 3.29Å; L205-Y207 PolarHBondContact O-N 2.99Å; Y207-G211 PolarHBondContact O-N 2.67Å |
| 208 | V | 91.7 | Very high | 84.9 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 111 | E204 L205 G211 V212 V274 | E204-V208 WeakPolarHBondContact O-CG2 3.29Å; E204-V208 PolarHBondContact O-N 3.04Å; E204-V208 VanDerWaalsContact O-N 3.1Å; L205-V208 PolarHBondContact O-N 3.44Å; L205-V208 VanDerWaalsContact O-N 3.17Å; V208-G211 PolarHBondContact O-N 3.05Å; V208-V212 WeakPolarHBondContact O-CG2 3.46Å; V208-V212 PolarHBondContact O-N 2.96Å; V208-V274 HydrophobicContact CG1-CG2 3.86Å |
| 209 | I | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 179.1 | -68.6 | 163.5 | 0 | 0 | 0 | 110.6 | F189 T193 L194 V197 L205 V206 G211 V212 W213 V274 | F189-I209 HydrophobicContact CE1-CG2 4.02Å; F189-I209 HydrophobicContact CZ-CG2 4.38Å; T193-I209 HydrophobicContact CG2-CD1 4Å; T193-I209 HydrophobicContact CG2-CG1 4.42Å; L194-I209 HydrophobicContact CB-CG2 4.2Å; L194-I209 HydrophobicContact CD1-CG2 3.89Å; L194-I209 HydrophobicContact CG-CG2 4.5Å; V197-I209 HydrophobicContact CB-CD1 4Å; V197-I209 HydrophobicContact CG1-CD1 4.37Å; V197-I209 HydrophobicContact CG2-CD1 3.56Å; L205-I209 WeakPolarHBondContact O-CB 3.47Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.14Å; L205-I209 PolarHBondContact O-N 3.16Å; V206-I209 PolarHBondContact O-N 3.09Å; I209-G211 VanDerWaalsContact C-N 3.28Å; I209-G211 PolarHBondContact O-N 3.18Å; I209-V212 PolarHBondContact O-N 3.32Å; I209-W213 VanDerWaalsContact O-CB 3.26Å; I209-W213 WeakPolarHBondContact O-CB 3.5Å; I209-W213 PolarHBondContact O-N 3.42Å; I209-V274 HydrophobicContact CG1-CG1 3.77Å |
| 210 | L | 92 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -34 | 176.9 | -72.2 | 175.3 | 0 | 0 | 0 | 112.3 | W81 E84 L85 L194 V206 T214 | W81-L210 HydrophobicContact CD2-CB 4.05Å; W81-L210 HydrophobicContact CD2-CD1 4.22Å; W81-L210 HydrophobicContact CE3-CD1 4.49Å; W81-L210 HydrophobicContact CG-CD1 4.35Å; W81-L210 HydrophobicContact CH2-CB 4.19Å; W81-L210 HydrophobicContact CZ2-CB 3.7Å; W81-L210 WeakPolarHBondContact CZ2-O 3.35Å; E84-L210 HydrophobicContact CB-CD1 4Å; E84-L210 HydrophobicContact CB-CD2 4.32Å; E84-L210 HydrophobicContact CG-CD1 3.98Å; E84-L210 HydrophobicContact CG-CD2 4.15Å; E84-L210 HydrophobicContact CG-CG 4.42Å; L85-L210 HydrophobicContact CD2-CD1 4.32Å; L85-L210 HydrophobicContact CG-CD1 4.27Å; L194-L210 HydrophobicContact CD1-CD2 4.17Å; L194-L210 HydrophobicContact CD1-CG 4.34Å; V206-L210 HydrophobicContact CG1-CD1 3.94Å; V206-L210 HydrophobicContact CG1-CG 4.39Å; V206-L210 WeakPolarHBondContact O-CB 3.3Å; V206-L210 VanDerWaalsContact O-CG 3.3Å; V206-L210 WeakPolarHBondContact O-CG 3.3Å; V206-L210 PolarHBondContact O-N 3.28Å; L210-T214 WeakPolarHBondContact O-CB 3.07Å; L210-T214 PolarHBondContact O-N 2.88Å; L210-T214 PolarHBondContact O-OG1 3.35Å |
| 211 | G | 93.1 | Very high | 87.4 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.4 | -52.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y207 V208 I209 W213 T214 W215 | Y207-G211 PolarHBondContact O-N 2.67Å; V208-G211 PolarHBondContact O-N 3.05Å; I209-G211 VanDerWaalsContact C-N 3.28Å; I209-G211 PolarHBondContact O-N 3.18Å; G211-W213 VanDerWaalsContact C-N 3.33Å; G211-W213 PolarHBondContact O-N 3.15Å; G211-T214 WeakPolarHBondContact O-CB 3.42Å; G211-T214 PolarHBondContact O-N 3.37Å; G211-W215 PolarHBondContact O-N 2.97Å |
| 212 | V | 92.9 | Very high | 87.6 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 177.3 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | F189 V208 I209 W215 S216 P270 F271 V274 | F189-V212 HydrophobicContact CE1-CB 4.42Å; F189-V212 HydrophobicContact CE1-CG1 3.85Å; F189-V212 HydrophobicContact CZ-CG1 4.05Å; V208-V212 WeakPolarHBondContact O-CG2 3.46Å; V208-V212 PolarHBondContact O-N 2.96Å; I209-V212 PolarHBondContact O-N 3.32Å; V212-W215 WeakPolarHBondContact O-CB 3.3Å; V212-W215 PolarHBondContact O-N 3.37Å; V212-S216 PolarHBondContact O-N 3.35Å; V212-P270 HydrophobicContact CG1-CB 3.66Å; V212-P270 HydrophobicContact CG2-CB 4.11Å; V212-F271 HydrophobicContact CG1-CD1 3.43Å; V212-F271 VanDerWaalsContact CG1-CD1 3.43Å; V212-F271 HydrophobicContact CG1-CE1 3.52Å; V212-V274 HydrophobicContact CG2-CG2 3.87Å |
| 213 | W | 92.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 173.7 | 173.6 | 85.1 | 0 | 0 | 0 | 111.8 | I77 I80 H147 L150 I209 G211 W215 S216 M217 | I77-W213 HydrophobicContact CB-CZ3 4.4Å; I77-W213 HydrophobicContact CG1-CH2 4.03Å; I77-W213 HydrophobicContact CG1-CZ3 3.95Å; I77-W213 HydrophobicContact CG2-CZ3 4.08Å; I80-W213 HydrophobicContact CB-CH2 4.33Å; I80-W213 HydrophobicContact CD1-CH2 3.69Å; I80-W213 HydrophobicContact CD1-CZ2 4.23Å; I80-W213 HydrophobicContact CG2-CH2 4.06Å; I80-W213 HydrophobicContact CG2-CZ3 4.37Å; H147-W213 AromaticContact CD2-CE2 3.63Å; H147-W213 AromaticContact CD2-CZ2 3.56Å; H147-W213 AromaticContact CD2-NE1 3.64Å; L150-W213 HydrophobicContact CD2-CH2 3.94Å; L150-W213 HydrophobicContact CD2-CZ2 3.69Å; I209-W213 VanDerWaalsContact O-CB 3.26Å; I209-W213 WeakPolarHBondContact O-CB 3.5Å; I209-W213 PolarHBondContact O-N 3.42Å; G211-W213 VanDerWaalsContact C-N 3.33Å; G211-W213 PolarHBondContact O-N 3.15Å; W213-W215 VanDerWaalsContact C-N 3.3Å; W213-W215 PolarHBondContact O-N 3.04Å; W213-S216 PolarHBondContact O-N 2.91Å; W213-S216 PolarHBondContact O-OG 2.79Å; W213-M217 HydrophobicContact CD2-CE 4.32Å; W213-M217 HydrophobicContact CD2-CG 4.43Å; W213-M217 HydrophobicContact CZ2-CE 3.53Å; W213-M217 HydrophobicContact CZ2-CG 4.19Å; W213-M217 WeakPolarHBondContact O-CG 3.39Å; W213-M217 PolarHBondContact O-N 3.03Å; W213-M217 VanDerWaalsContact O-N 3.08Å |
| 214 | T | 93.4 | Very high | 85.2 | Confident | 35 Ų | 35 | 34.7 Ų | 34.7 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 176.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | I77 W81 L210 G211 M217 | I77-T214 HydrophobicContact CD1-CG2 4.12Å; I77-T214 HydrophobicContact CG2-CG2 3.94Å; W81-T214 PolarHBondContact NE1-OG1 3.42Å; L210-T214 WeakPolarHBondContact O-CB 3.07Å; L210-T214 PolarHBondContact O-N 2.88Å; L210-T214 PolarHBondContact O-OG1 3.35Å; G211-T214 WeakPolarHBondContact O-CB 3.42Å; G211-T214 PolarHBondContact O-N 3.37Å; T214-M217 PolarHBondContact O-N 3.45Å |
| 215 | W | 90.3 | Very high | 83.1 | Confident | 128 Ų | 128 | 28.1 Ų | 28.1 | 49% | 0.485 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.9 | -173.8 | -107.7 | 0 | 0 | 0 | 111.7 | G211 V212 W213 M217 L218 F265 I266 | G211-W215 PolarHBondContact O-N 2.97Å; V212-W215 WeakPolarHBondContact O-CB 3.3Å; V212-W215 PolarHBondContact O-N 3.37Å; W213-W215 VanDerWaalsContact C-N 3.3Å; W213-W215 PolarHBondContact O-N 3.04Å; W215-M217 VanDerWaalsContact C-N 3.27Å; W215-M217 PolarHBondContact O-N 3.27Å; W215-L218 HydrophobicContact CE3-CD1 3.97Å; W215-L218 HydrophobicContact CZ3-CD1 4.19Å; W215-L218 WeakPolarHBondContact O-CB 3.37Å; W215-L218 PolarHBondContact O-N 3.29Å; W215-F265 PolarHBondContact NE1-O 3.23Å; W215-I266 HydrophobicContact CZ2-CG1 4.33Å |
| 216 | S | 89.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -28.9 | 177 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | V212 W213 L218 Q219 | V212-S216 PolarHBondContact O-N 3.35Å; W213-S216 PolarHBondContact O-N 2.91Å; W213-S216 PolarHBondContact O-OG 2.79Å; S216-L218 PolarHBondContact O-N 3.33Å; S216-Q219 WeakPolarHBondContact O-CB 3.48Å; S216-Q219 PolarHBondContact O-N 3Å |
| 217 | M | 90.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.2 | -21.8 | 178.3 | -71.9 | -63.5 | 170.5 | 0 | 0 | 113.4 | L73 I77 L150 L151 L154 I186 W213 T214 W215 Q219 F220 P221 | L73-M217 HydrophobicContact CD1-CB 4.08Å; L73-M217 WeakPolarHBondContact CD1-O 3.39Å; L73-M217 HydrophobicContact CD2-CB 4.21Å; I77-M217 HydrophobicContact CD1-CB 4.29Å; L150-M217 HydrophobicContact CD2-CE 4.45Å; L151-M217 HydrophobicContact CD2-CE 3.61Å; L151-M217 HydrophobicContact CD2-SD 3.98Å; L151-M217 HydrophobicContact CG-CE 4.17Å; L154-M217 HydrophobicContact CD1-SD 4.09Å; I186-M217 HydrophobicContact CG2-CE 3.62Å; W213-M217 HydrophobicContact CD2-CE 4.32Å; W213-M217 HydrophobicContact CD2-CG 4.43Å; W213-M217 HydrophobicContact CZ2-CE 3.53Å; W213-M217 HydrophobicContact CZ2-CG 4.19Å; W213-M217 WeakPolarHBondContact O-CG 3.39Å; W213-M217 PolarHBondContact O-N 3.03Å; W213-M217 VanDerWaalsContact O-N 3.08Å; T214-M217 PolarHBondContact O-N 3.45Å; W215-M217 VanDerWaalsContact C-N 3.27Å; W215-M217 PolarHBondContact O-N 3.27Å; M217-Q219 PolarHBondContact O-N 2.98Å; M217-Q219 VanDerWaalsContact O-N 3.12Å; M217-F220 PolarHBondContact O-N 3.36Å; M217-F220 HydrophobicContact SD-CD2 3.95Å; M217-F220 HydrophobicContact SD-CE2 3.7Å; M217-P221 VanDerWaalsContact O-CD 3.32Å; M217-P221 WeakPolarHBondContact O-CD 3.24Å |
| 218 | L | 86 | Confident | 75.9 | Confident | 51 Ų | 51 | 25.4 Ų | 25.4 | 27% | 0.267 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.9 | 178.3 | -68.6 | 174.5 | 0 | 0 | 0 | 113.6 | F70 W215 S216 P221 C222 | F70-L218 HydrophobicContact CD2-CD2 4.07Å; F70-L218 HydrophobicContact CE2-CD2 3.74Å; W215-L218 HydrophobicContact CE3-CD1 3.97Å; W215-L218 HydrophobicContact CZ3-CD1 4.19Å; W215-L218 WeakPolarHBondContact O-CB 3.37Å; W215-L218 PolarHBondContact O-N 3.29Å; S216-L218 PolarHBondContact O-N 3.33Å; L218-P221 WeakPolarHBondContact O-CD 3.37Å; L218-C222 PolarHBondContact O-N 2.97Å; L218-C222 PolarHBondContact O-SG 3Å |
| 219 | Q | 83.3 | Confident | 73.2 | Confident | 13 Ų | 13 | 23.2 Ų | 23.2 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -35.6 | 171.8 | -175.5 | -178.5 | -2.7 | 0 | 0 | 112.9 | T182 S216 M217 C222 I266 | T182-Q219 VanDerWaalsContact CG2-NE2 3.29Å; S216-Q219 WeakPolarHBondContact O-CB 3.48Å; S216-Q219 PolarHBondContact O-N 3Å; M217-Q219 PolarHBondContact O-N 2.98Å; M217-Q219 VanDerWaalsContact O-N 3.12Å; Q219-C222 PolarHBondContact O-N 3.24Å; Q219-I266 HydrophobicContact CB-CG2 4.29Å |
| 220 | F | 86.1 | Confident | 70.7 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -40.3 | -175 | -65.5 | -81.2 | 0 | 0 | 0 | 113.7 | I69 L151 L154 F179 A183 I186 M217 H223 | I69-F220 HydrophobicContact CG2-CB 4.12Å; L151-F220 HydrophobicContact CD2-CE2 3.8Å; L151-F220 HydrophobicContact CD2-CZ 3.69Å; L154-F220 HydrophobicContact CB-CD1 4.1Å; L154-F220 HydrophobicContact CB-CG 4.27Å; L154-F220 HydrophobicContact CD1-CB 4.32Å; L154-F220 HydrophobicContact CD1-CD1 4.41Å; L154-F220 HydrophobicContact CD1-CD2 3.7Å; L154-F220 HydrophobicContact CD1-CE2 4.06Å; L154-F220 HydrophobicContact CD1-CG 3.89Å; L154-F220 HydrophobicContact CD2-CB 4.36Å; F179-F220 HydrophobicContact CB-CD1 4.43Å; F179-F220 HydrophobicContact CB-CE1 4.06Å; F179-F220 HydrophobicContact CD1-CD1 4.4Å; F179-F220 HydrophobicContact CD2-CD1 4.08Å; F179-F220 HydrophobicContact CE2-CD1 4.35Å; F179-F220 HydrophobicContact CG-CD1 4.09Å; F179-F220 HydrophobicContact CG-CE1 4.17Å; A183-F220 HydrophobicContact CB-CZ 4.08Å; I186-F220 HydrophobicContact CD1-CE2 3.81Å; I186-F220 HydrophobicContact CD1-CZ 4.2Å; M217-F220 PolarHBondContact O-N 3.36Å; M217-F220 HydrophobicContact SD-CD2 3.95Å; M217-F220 HydrophobicContact SD-CE2 3.7Å; F220-H223 PolarHBondContact O-CE1 3.22Å |
| 221 | P | 84.1 | Confident | 68 | Low | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -33.3 | 170.7 | -15.2 | 23.9 | 0 | 0 | 0 | 114.6 | F65 S66 I69 F70 L73 M217 L218 H223 | F65-P221 CarbonylContact C-O 3.5Å; F65-P221 WeakPolarHBondContact CA-O 3.42Å; F65-P221 HydrophobicContact CD2-CB 4.39Å; F65-P221 HydrophobicContact CE2-CB 4.02Å; S66-P221 PolarHBondContact N-O 3.37Å; I69-P221 HydrophobicContact CB-CB 4.43Å; I69-P221 HydrophobicContact CB-CG 4.4Å; I69-P221 HydrophobicContact CG2-CB 4.39Å; I69-P221 HydrophobicContact CG2-CG 3.91Å; F70-P221 HydrophobicContact CB-CB 3.77Å; F70-P221 HydrophobicContact CB-CG 3.98Å; F70-P221 HydrophobicContact CD2-CB 4.36Å; F70-P221 HydrophobicContact CD2-CG 4.17Å; L73-P221 HydrophobicContact CD1-CG 3.57Å; M217-P221 VanDerWaalsContact O-CD 3.32Å; M217-P221 WeakPolarHBondContact O-CD 3.24Å; L218-P221 WeakPolarHBondContact O-CD 3.37Å; P221-H223 PolarHBondContact O-N 2.76Å |
| 222 | C | 73.3 | Confident | 65.3 | Low | 36 Ų | 36 | 36.1 Ų | 36.1 | 24% | 0.243 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 103.4 | -176.5 | -70.1 | 0 | 0 | 0 | 0 | 110.1 | L218 Q219 L224 | L218-C222 PolarHBondContact O-N 2.97Å; L218-C222 PolarHBondContact O-SG 3Å; Q219-C222 PolarHBondContact O-N 3.24Å; C222-L224 HydrophobicContact CB-CD1 4.31Å; C222-L224 PolarHBondContact O-N 2.97Å |
| 223 | H | 60 | Low | 62.4 | Low | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 31.5 | 177.9 | -66.7 | -53.9 | 0 | 0 | 0 | 113.4 | W64 S66 K158 F179 F220 P221 S225 A226 C227 | W64-H223 PolarHBondContact O-N 3.3Å; S66-H223 WeakPolarHBondContact CB-NE2 3.42Å; K158-H223 WeakPolarHBondContact CD-CE1 3.45Å; K158-H223 WeakPolarHBondContact CE-CE1 3.37Å; K158-H223 WeakPolarHBondContact CE-ND1 3.36Å; K158-H223 VanDerWaalsContact CE-NE2 3.32Å; K158-H223 WeakPolarHBondContact CE-NE2 3.47Å; K158-H223 PolarHBondContact NZ-CD2 3.05Å; K158-H223 PolarHBondContact NZ-CE1 3.35Å; K158-H223 PolarHBondContact NZ-ND1 3.28Å; K158-H223 PolarHBondContact NZ-NE2 3.49Å; F179-H223 AromaticContact CZ-ND1 3.93Å; F220-H223 PolarHBondContact O-CE1 3.22Å; P221-H223 PolarHBondContact O-N 2.76Å; H223-S225 VanDerWaalsContact C-N 3.29Å; H223-S225 PolarHBondContact O-N 3.27Å; H223-A226 HydrophobicContact CB-CB 4.16Å; H223-A226 PolarHBondContact O-N 3.42Å; H223-A226 VanDerWaalsContact O-N 3.14Å; H223-C227 PolarHBondContact O-N 3.48Å |
| 224 | L | 50.1 | Low | 59.3 | Low | 46 Ų | 46 | 45.8 Ų | 45.8 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 177.1 | -93.3 | 130.4 | 0 | 0 | 0 | 110.3 | C222 A226 C227 Y228 W258 E262 | C222-L224 HydrophobicContact CB-CD1 4.31Å; C222-L224 PolarHBondContact O-N 2.97Å; L224-A226 PolarHBondContact O-N 3.14Å; L224-A226 VanDerWaalsContact O-N 3.12Å; L224-C227 PolarHBondContact O-N 3.17Å; L224-Y228 HydrophobicContact CB-CE2 4.39Å; L224-Y228 HydrophobicContact CD2-CE2 4.4Å; L224-Y228 WeakPolarHBondContact O-CD2 3.28Å; L224-Y228 VanDerWaalsContact O-CE2 3.31Å; L224-Y228 WeakPolarHBondContact O-CE2 3.37Å; L224-W258 HydrophobicContact CD1-CZ3 4.06Å; L224-W258 HydrophobicContact CD2-CE3 3.99Å; L224-W258 HydrophobicContact CD2-CZ3 4.09Å; L224-E262 WeakPolarHBondContact CB-OE2 3.45Å |
| 225 | S | 40.4 | Very low | 56 | Low | 27 Ų | 27 | 49.7 Ų | 49.7 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -29 | 176 | -48.7 | 0 | 0 | 0 | 0 | 114.6 | H223 | H223-S225 VanDerWaalsContact C-N 3.29Å; H223-S225 PolarHBondContact O-N 3.27Å |
| 226 | A | 36.4 | Very low | 53.2 | Low | 9 Ų | 9 | 48.7 Ų | 48.7 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79.9 | -32.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L175 H223 L224 S229 | L175-A226 HydrophobicContact CD1-CB 3.76Å; L175-A226 HydrophobicContact CD2-CB 3.58Å; L175-A226 HydrophobicContact CG-CB 4.14Å; H223-A226 HydrophobicContact CB-CB 4.16Å; H223-A226 PolarHBondContact O-N 3.42Å; H223-A226 VanDerWaalsContact O-N 3.14Å; L224-A226 PolarHBondContact O-N 3.14Å; L224-A226 VanDerWaalsContact O-N 3.12Å; A226-S229 PolarHBondContact O-N 3.18Å |
| 227 | C | 37 | Very low | 50.5 | Low | 13 Ų | 13 | 60 Ų | 60 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -82.7 | -13.6 | 178.3 | -82.4 | 0 | 0 | 0 | 0 | 113.8 | W64 H223 L224 S229 Q230 | W64-C227 HydrophobicContact CD2-CB 4.35Å; W64-C227 HydrophobicContact CE3-CB 3.38Å; W64-C227 HydrophobicContact CH2-CB 3.29Å; W64-C227 WeakPolarHBondContact CH2-SG 3.3Å; W64-C227 HydrophobicContact CZ2-CB 4.26Å; W64-C227 HydrophobicContact CZ3-CB 2.82Å; W64-C227 WeakPolarHBondContact CZ3-SG 3.4Å; H223-C227 PolarHBondContact O-N 3.48Å; L224-C227 PolarHBondContact O-N 3.17Å; C227-S229 VanDerWaalsContact C-N 3.34Å; C227-Q230 WeakPolarHBondContact O-CB 3.33Å; C227-Q230 PolarHBondContact O-N 3Å |
| 228 | Y | 41.2 | Very low | 47.4 | Very low | 54 Ų | 54 | 66.7 Ų | 66.7 | 21% | 0.212 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 164.3 | -69.7 | -72.5 | 0 | 0 | 0 | 111.8 | L224 Q230 T255 S259 | L224-Y228 HydrophobicContact CB-CE2 4.39Å; L224-Y228 HydrophobicContact CD2-CE2 4.4Å; L224-Y228 WeakPolarHBondContact O-CD2 3.28Å; L224-Y228 VanDerWaalsContact O-CE2 3.31Å; L224-Y228 WeakPolarHBondContact O-CE2 3.37Å; Y228-Q230 PolarHBondContact O-N 3.49Å; Y228-T255 VanDerWaalsContact CE1-C 3.47Å; Y228-T255 WeakPolarHBondContact CE1-O 3Å; Y228-T255 VanDerWaalsContact CZ-O 3.31Å; Y228-T255 PolarHBondContact OH-O 3.37Å; Y228-S259 VanDerWaalsContact CE2-CB 3.46Å; Y228-S259 PolarHBondContact OH-N 3.27Å |
| 229 | S | 34.9 | Very low | 45 | Very low | 21 Ų | 21 | 72.1 Ų | 72.1 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -69.7 | -12.4 | 176.1 | -173 | 0 | 0 | 0 | 0 | 113.4 | Q174 A226 C227 R231 H232 | Q174-S229 PolarHBondContact OE1-OG 2.92Å; A226-S229 PolarHBondContact O-N 3.18Å; C227-S229 VanDerWaalsContact C-N 3.34Å; S229-R231 PolarHBondContact O-N 3.43Å; S229-H232 PolarHBondContact O-N 3.22Å |
| 230 | Q | 37.2 | Very low | 42.9 | Very low | 62 Ų | 62 | 76 Ų | 76 | 29% | 0.29 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -67.8 | 0.2 | 178 | -157.3 | 163.8 | 34 | 0 | 0 | 113.9 | K63 C227 Y228 | K63-Q230 VanDerWaalsContact CE-OE1 3.22Å; C227-Q230 WeakPolarHBondContact O-CB 3.33Å; C227-Q230 PolarHBondContact O-N 3Å; Y228-Q230 PolarHBondContact O-N 3.49Å |
| 231 | R | 36.6 | Very low | 40.1 | Very low | 134 Ų | 134 | 85.2 Ų | 85.2 | 51% | 0.506 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -121 | 12 | 172.5 | -64.4 | -170 | 179.3 | 159.7 | -0.2 | 115.2 | S229 Y252 | S229-R231 PolarHBondContact O-N 3.43Å; R231-Y252 VanDerWaalsContact NH1-CD1 3.27Å |
| 232 | H | 35.6 | Very low | 37.5 | Very low | 103 Ų | 103 | 91.2 Ų | 91.2 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | trans | -107.4 | 19.2 | 176.9 | -73.5 | -24.3 | 0 | 0 | 0 | 115.4 | S229 V234 F243 | S229-H232 PolarHBondContact O-N 3.22Å; H232-V234 PolarHBondContact O-N 2.92Å; H232-F243 HydrophobicContact CB-CZ 4.43Å; H232-F243 AromaticContact CD2-CE1 3.86Å; H232-F243 AromaticContact CD2-CZ 3.95Å; H232-F243 AromaticContact CE1-CD1 3.95Å; H232-F243 AromaticContact CE1-CE1 2.88Å; H232-F243 WeakPolarHBondContact CE1-CE1 3.27Å; H232-F243 AromaticContact CE1-CZ 3.25Å; H232-F243 WeakPolarHBondContact CE1-CZ 3.42Å; H232-F243 AromaticContact CG-CE1 3.91Å; H232-F243 AromaticContact CG-CZ 3.57Å; H232-F243 AromaticContact ND1-CE1 3.29Å; H232-F243 VanDerWaalsContact ND1-CE1 3.29Å; H232-F243 WeakPolarHBondContact ND1-CE1 3.45Å; H232-F243 AromaticContact ND1-CZ 3.06Å; H232-F243 WeakPolarHBondContact ND1-CZ 3.48Å; H232-F243 AromaticContact NE2-CD1 3.92Å; H232-F243 AromaticContact NE2-CE1 3.22Å; H232-F243 WeakPolarHBondContact NE2-CE1 3.27Å; H232-F243 AromaticContact NE2-CZ 3.75Å | ||
| 233 | T | 31.4 | Very low | 35.5 | Very low | 102 Ų | 102 | 96.7 Ų | 96.7 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | trans | -83.7 | 64 | 167 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 234 | V | 28.5 | Very low | 34.4 | Very low | 125 Ų | 125 | 102.8 Ų | 102.8 | 76% | 0.758 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -140.6 | 113.5 | 140.6 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | H232 | H232-V234 PolarHBondContact O-N 2.92Š|
| 235 | C | 25 | Very low | 33.7 | Very low | 117 Ų | 117 | 108.1 Ų | 108.1 | 79% | 0.791 | 57% | 0.567 | S | S | * | * | trans | 87.9 | 144.4 | 157.7 | -89.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 236 | P | 30.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 110.4 Ų | 110.4 | 70% | 0.695 | 59% | 0.588 | S | S | * | * | trans | -98 | 155.4 | -156.4 | 37.7 | -30.7 | 0 | 0 | 0 | 113.9 | ||||
| 237 | R | 32.9 | Very low | 33.3 | Very low | 238 Ų | 238 | 119.1 Ų | 119.1 | 90% | 0.898 | 63% | 0.625 | S | S | * | * | trans | 33 | 93.6 | 150.3 | -67 | -179.5 | 177.6 | 173.8 | -0.6 | 116.4 | ||||
| 238 | T | 24.8 | Very low | 33.1 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 86% | 0.859 | 65% | 0.646 | S | S | * | * | -163 | 135.4 | 115 | -0.1 | 0 | 0 | 0 | 0 | 109.6 | S240 | T238-S240 PolarHBondContact O-N 2.85Š| |||
| 239 | L | 35.7 | Very low | 33.1 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 67% | 0.67 | S | S | * | * | trans | -33.7 | 125.9 | 167.1 | -153.3 | 100.6 | 0 | 0 | 0 | 112 | ||||
| 240 | S | 40.1 | Very low | 33.3 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 81.2 | 131.2 | 153.8 | -136.3 | 0 | 0 | 0 | 0 | 117.7 | T238 | T238-S240 PolarHBondContact O-N 2.85Š|
| 241 | K | 26.2 | Very low | 33.3 | Very low | 195 Ų | 195 | 137 Ų | 137 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 102 | -16.2 | 150.6 | -60 | -178.6 | 177.5 | -179.9 | 0 | 122.1 | ||
| 242 | T | 29.2 | Very low | 33.8 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | trans | -131.1 | 35.8 | -173.6 | -34.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 243 | F | 30.8 | Very low | 34.6 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -101.8 | 3 | 176.2 | -139.8 | -78.2 | 0 | 0 | 0 | 112.9 | H232 | H232-F243 HydrophobicContact CB-CZ 4.43Å; H232-F243 AromaticContact CD2-CE1 3.86Å; H232-F243 AromaticContact CD2-CZ 3.95Å; H232-F243 AromaticContact CE1-CD1 3.95Å; H232-F243 AromaticContact CE1-CE1 2.88Å; H232-F243 WeakPolarHBondContact CE1-CE1 3.27Å; H232-F243 AromaticContact CE1-CZ 3.25Å; H232-F243 WeakPolarHBondContact CE1-CZ 3.42Å; H232-F243 AromaticContact CG-CE1 3.91Å; H232-F243 AromaticContact CG-CZ 3.57Å; H232-F243 AromaticContact ND1-CE1 3.29Å; H232-F243 VanDerWaalsContact ND1-CE1 3.29Å; H232-F243 WeakPolarHBondContact ND1-CE1 3.45Å; H232-F243 AromaticContact ND1-CZ 3.06Å; H232-F243 WeakPolarHBondContact ND1-CZ 3.48Å; H232-F243 AromaticContact NE2-CD1 3.92Å; H232-F243 AromaticContact NE2-CE1 3.22Å; H232-F243 WeakPolarHBondContact NE2-CE1 3.27Å; H232-F243 AromaticContact NE2-CZ 3.75Å |
| 244 | L | 38.4 | Very low | 35.6 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -103.1 | 5.6 | -167.4 | -92.2 | 175 | 0 | 0 | 0 | 116.1 | ||
| 245 | L | 34 | Very low | 36.9 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -123.9 | -7 | -162.7 | -75.2 | 179.6 | 0 | 0 | 0 | 121.1 | ||
| 246 | A | 36.1 | Very low | 38.5 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 62% | 0.62 | 65% | 0.647 | S | S | * | * | trans | -166.4 | 148.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 247 | F | 33.9 | Very low | 40.2 | Very low | 193 Ų | 193 | 121.2 Ų | 121.2 | 85% | 0.846 | 63% | 0.626 | S | S | * | * | trans | 84.1 | 114.3 | 161 | -55.2 | -78.4 | 0 | 0 | 0 | 115.8 | ||||
| 248 | N | 31.8 | Very low | 41.7 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | cis | -164.6 | 151.7 | 22.4 | -170.1 | 11.8 | 0 | 0 | 0 | 110.2 | Y252 | N248-Y252 HydrophobicContact CB-CE2 4.44Å; N248-Y252 WeakPolarHBondContact O-CB 3.26Å; N248-Y252 WeakPolarHBondContact O-CD2 3.44Å; N248-Y252 VanDerWaalsContact O-CG 3.24Å | ||
| 249 | N | 42 | Very low | 43.6 | Very low | 131 Ų | 131 | 111.8 Ų | 111.8 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | trans | -85.3 | 155.3 | -156.1 | -69 | -36.3 | 0 | 0 | 0 | 114.7 | ||||
| 250 | Y | 38.7 | Very low | 45.1 | Very low | 213 Ų | 213 | 104.8 Ų | 104.8 | 84% | 0.835 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 93.9 | -52.6 | 168.1 | -129.9 | -95.6 | 0 | 0 | 0 | 119.2 | ||
| 251 | S | 36.9 | Very low | 46.5 | Very low | 80 Ų | 80 | 102.9 Ų | 102.9 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -98.9 | -4.4 | 178.4 | -171.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 252 | Y | 47.5 | Very low | 48.4 | Very low | 82 Ų | 82 | 94.5 Ų | 94.5 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -92.9 | -30 | -172.1 | -76 | -106.3 | 0 | 0 | 0 | 113.5 | R231 N248 T255 D256 | R231-Y252 VanDerWaalsContact NH1-CD1 3.27Å; N248-Y252 HydrophobicContact CB-CE2 4.44Å; N248-Y252 WeakPolarHBondContact O-CB 3.26Å; N248-Y252 WeakPolarHBondContact O-CD2 3.44Å; N248-Y252 VanDerWaalsContact O-CG 3.24Å; Y252-T255 PolarHBondContact O-OG1 2.78Å; Y252-D256 PolarHBondContact O-N 3.46Å |
| 253 | S | 51.1 | Low | 50.3 | Low | 17 Ų | 17 | 91 Ų | 91 | 12% | 0.119 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -70.1 | -42.3 | -173.4 | -172.1 | 0 | 0 | 0 | 0 | 112.8 | T255 D256 L257 | S253-T255 VanDerWaalsContact C-N 3.34Å; S253-T255 PolarHBondContact O-N 3.17Å; S253-D256 PolarHBondContact O-N 3.33Å; S253-L257 WeakPolarHBondContact O-CB 3.22Å; S253-L257 WeakPolarHBondContact O-CG 3.32Å; S253-L257 PolarHBondContact O-N 2.95Å |
| 254 | S | 53.4 | Low | 52.3 | Low | 81 Ų | 81 | 85.2 Ų | 85.2 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.7 | -32.4 | -178.6 | -52 | 0 | 0 | 0 | 0 | 113.6 | W258 | S254-W258 PolarHBondContact O-N 3.2Å |
| 255 | T | 55.9 | Low | 54 | Low | 60 Ų | 60 | 85.4 Ų | 85.4 | 37% | 0.368 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.1 | -47.4 | 175.8 | 48.6 | 0 | 0 | 0 | 0 | 110 | Y228 Y252 S253 L257 W258 S259 | Y228-T255 VanDerWaalsContact CE1-C 3.47Å; Y228-T255 WeakPolarHBondContact CE1-O 3Å; Y228-T255 VanDerWaalsContact CZ-O 3.31Å; Y228-T255 PolarHBondContact OH-O 3.37Å; Y252-T255 PolarHBondContact O-OG1 2.78Å; S253-T255 VanDerWaalsContact C-N 3.34Å; S253-T255 PolarHBondContact O-N 3.17Å; T255-L257 VanDerWaalsContact C-N 3.3Å; T255-L257 PolarHBondContact O-N 3Å; T255-W258 PolarHBondContact O-N 3.42Å; T255-S259 PolarHBondContact O-N 3.48Å |
| 256 | D | 58.5 | Low | 55.8 | Low | 64 Ų | 64 | 79.1 Ų | 79.1 | 34% | 0.342 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | -178.4 | -66.1 | -14.4 | 0 | 0 | 0 | 111.6 | Y252 S253 S259 I260 L310 | Y252-D256 PolarHBondContact O-N 3.46Å; S253-D256 PolarHBondContact O-N 3.33Å; D256-S259 WeakPolarHBondContact O-CB 3.31Å; D256-S259 PolarHBondContact O-N 3.37Å; D256-S259 PolarHBondContact O-OG 2.99Å; D256-I260 WeakPolarHBondContact O-CG1 3.29Å; D256-I260 PolarHBondContact O-N 3.19Å; D256-L310 HydrophobicContact CB-CD2 3.87Å |
| 257 | L | 65.4 | Low | 57.5 | Low | 51 Ų | 51 | 76 Ų | 76 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 169.8 | -74.4 | 170.9 | 0 | 0 | 0 | 111.8 | S253 T255 S259 I260 V261 L307 L310 | S253-L257 WeakPolarHBondContact O-CB 3.22Å; S253-L257 WeakPolarHBondContact O-CG 3.32Å; S253-L257 PolarHBondContact O-N 2.95Å; T255-L257 VanDerWaalsContact C-N 3.3Å; T255-L257 PolarHBondContact O-N 3Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 3.41Å; L257-I260 PolarHBondContact O-N 2.94Å; L257-V261 WeakPolarHBondContact O-CB 3.5Å; L257-V261 VanDerWaalsContact O-CG2 3.24Å; L257-V261 WeakPolarHBondContact O-CG2 3.47Å; L257-V261 PolarHBondContact O-N 2.93Å; L257-L307 HydrophobicContact CD2-CD1 3.46Å; L257-L307 VanDerWaalsContact CD2-CD1 3.46Å; L257-L307 HydrophobicContact CD2-CG 4.4Å; L257-L310 HydrophobicContact CB-CD2 4.4Å; L257-L310 HydrophobicContact CD2-CB 4.34Å; L257-L310 HydrophobicContact CD2-CD2 3.6Å; L257-L310 HydrophobicContact CD2-CG 3.91Å; L257-L310 HydrophobicContact CG-CD2 3.59Å; L257-L310 HydrophobicContact CG-CG 4.09Å |
| 258 | W | 65.8 | Low | 59.5 | Low | 153 Ų | 153 | 67.7 Ų | 67.7 | 58% | 0.58 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.4 | -34 | -179.8 | -137.7 | 91.9 | 0 | 0 | 0 | 111.8 | L224 S254 T255 E262 | L224-W258 HydrophobicContact CD1-CZ3 4.06Å; L224-W258 HydrophobicContact CD2-CE3 3.99Å; L224-W258 HydrophobicContact CD2-CZ3 4.09Å; S254-W258 PolarHBondContact O-N 3.2Å; T255-W258 PolarHBondContact O-N 3.42Å; W258-E262 HydrophobicContact CE3-CB 4.27Å; W258-E262 HydrophobicContact CZ3-CB 4.35Å; W258-E262 HydrophobicContact CZ3-CG 4.35Å; W258-E262 VanDerWaalsContact O-CB 3.22Å; W258-E262 WeakPolarHBondContact O-CB 3.47Å; W258-E262 PolarHBondContact O-N 2.93Å |
| 259 | S | 64.4 | Low | 62.1 | Low | 28 Ų | 28 | 63.7 Ų | 63.7 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.3 | 83.4 | 0 | 0 | 0 | 0 | 113.1 | Y228 T255 D256 L257 E262 T263 | Y228-S259 VanDerWaalsContact CE2-CB 3.46Å; Y228-S259 PolarHBondContact OH-N 3.27Å; T255-S259 PolarHBondContact O-N 3.48Å; D256-S259 WeakPolarHBondContact O-CB 3.31Å; D256-S259 PolarHBondContact O-N 3.37Å; D256-S259 PolarHBondContact O-OG 2.99Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 3.41Å; S259-E262 PolarHBondContact O-N 3.29Å; S259-T263 WeakPolarHBondContact O-CG2 3.44Å; S259-T263 PolarHBondContact O-N 2.88Å; S259-T263 PolarHBondContact O-OG1 3.07Å |
| 260 | I | 67.1 | Low | 64.4 | Low | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.5 | -38.8 | -178.8 | -64.7 | 164.1 | 0 | 0 | 0 | 109.6 | D256 L257 T263 L264 N303 R306 L307 L310 | D256-I260 WeakPolarHBondContact O-CG1 3.29Å; D256-I260 PolarHBondContact O-N 3.19Å; L257-I260 PolarHBondContact O-N 2.94Å; I260-T263 PolarHBondContact O-OG1 3.28Å; I260-T263 VanDerWaalsContact O-OG1 3.08Å; I260-L264 WeakPolarHBondContact O-CB 3.35Å; I260-L264 PolarHBondContact O-N 3.12Å; I260-N303 HydrophobicContact CG2-CB 4.24Å; I260-N303 WeakPolarHBondContact CG2-O 3.43Å; I260-R306 HydrophobicContact CD1-CB 4.15Å; I260-L307 HydrophobicContact CB-CD1 4.46Å; I260-L307 HydrophobicContact CG2-CB 4.29Å; I260-L307 HydrophobicContact CG2-CD1 4.15Å; I260-L310 HydrophobicContact CD1-CD2 4.21Å |
| 261 | V | 68.3 | Low | 66.8 | Low | 55 Ų | 55 | 48.7 Ų | 48.7 | 33% | 0.333 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 110 | L257 T263 L264 F265 L307 | L257-V261 WeakPolarHBondContact O-CB 3.5Å; L257-V261 VanDerWaalsContact O-CG2 3.24Å; L257-V261 WeakPolarHBondContact O-CG2 3.47Å; L257-V261 PolarHBondContact O-N 2.93Å; V261-T263 PolarHBondContact O-N 3.04Å; V261-L264 PolarHBondContact O-N 2.93Å; V261-F265 HydrophobicContact CG1-CD2 3.67Å; V261-F265 HydrophobicContact CG1-CE2 4.01Å; V261-F265 WeakPolarHBondContact O-CB 3.37Å; V261-F265 VanDerWaalsContact O-CD2 3.28Å; V261-F265 WeakPolarHBondContact O-CD2 3.38Å; V261-F265 PolarHBondContact O-N 2.84Å; V261-L307 HydrophobicContact CG2-CD1 4.44Å |
| 262 | E | 66.8 | Low | 69.4 | Low | 18 Ų | 18 | 45.8 Ų | 45.8 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.8 | -51.4 | 177.5 | -169.4 | -179.3 | 178.3 | 0 | 0 | 111.1 | L224 W258 S259 L264 F265 I266 | L224-E262 WeakPolarHBondContact CB-OE2 3.45Å; W258-E262 HydrophobicContact CE3-CB 4.27Å; W258-E262 HydrophobicContact CZ3-CB 4.35Å; W258-E262 HydrophobicContact CZ3-CG 4.35Å; W258-E262 VanDerWaalsContact O-CB 3.22Å; W258-E262 WeakPolarHBondContact O-CB 3.47Å; W258-E262 PolarHBondContact O-N 2.93Å; S259-E262 PolarHBondContact O-N 3.29Å; E262-L264 PolarHBondContact O-N 3.29Å; E262-F265 PolarHBondContact O-N 3.42Å; E262-I266 HydrophobicContact CG-CD1 3.89Å; E262-I266 VanDerWaalsContact O-CB 3.29Å; E262-I266 WeakPolarHBondContact O-CB 3.39Å; E262-I266 PolarHBondContact O-N 2.89Å |
| 263 | T | 68.9 | Low | 71.5 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 33% | 0.325 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.3 | -39.3 | -179.9 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | S259 I260 V261 H267 D268 | S259-T263 WeakPolarHBondContact O-CG2 3.44Å; S259-T263 PolarHBondContact O-N 2.88Å; S259-T263 PolarHBondContact O-OG1 3.07Å; I260-T263 PolarHBondContact O-OG1 3.28Å; I260-T263 VanDerWaalsContact O-OG1 3.08Å; V261-T263 PolarHBondContact O-N 3.04Å; T263-H267 PolarHBondContact O-N 2.87Å; T263-D268 PolarHBondContact O-N 3.18Å |
| 264 | L | 73.8 | Confident | 73.3 | Confident | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -65.7 | -41.2 | 178.9 | -173.5 | 68.3 | 0 | 0 | 0 | 112.3 | I260 V261 E262 G269 V300 N303 | I260-L264 WeakPolarHBondContact O-CB 3.35Å; I260-L264 PolarHBondContact O-N 3.12Å; V261-L264 PolarHBondContact O-N 2.93Å; E262-L264 PolarHBondContact O-N 3.29Å; L264-G269 VanDerWaalsContact O-CA 3.27Å; L264-G269 WeakPolarHBondContact O-CA 3.21Å; L264-G269 PolarHBondContact O-N 3.08Å; L264-V300 HydrophobicContact CD1-CB 4.25Å; L264-V300 HydrophobicContact CD1-CG1 3.95Å; L264-V300 HydrophobicContact CD1-CG2 3.95Å; L264-N303 HydrophobicContact CD1-CB 4.46Å |
| 265 | F | 73.6 | Confident | 75.1 | Confident | 133 Ų | 133 | 41.3 Ų | 41.3 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | I | π-helix | trans | -93.1 | -24.5 | -174.3 | -78.8 | -83.5 | 0 | 0 | 0 | 114.7 | W215 V261 E262 P270 | W215-F265 PolarHBondContact NE1-O 3.23Å; V261-F265 HydrophobicContact CG1-CD2 3.67Å; V261-F265 HydrophobicContact CG1-CE2 4.01Å; V261-F265 WeakPolarHBondContact O-CB 3.37Å; V261-F265 VanDerWaalsContact O-CD2 3.28Å; V261-F265 WeakPolarHBondContact O-CD2 3.38Å; V261-F265 PolarHBondContact O-N 2.84Å; E262-F265 PolarHBondContact O-N 3.42Å; F265-P270 WeakPolarHBondContact O-CG 3.31Å |
| 266 | I | 71.3 | Confident | 76.7 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.138 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -87.1 | -32.6 | 179.1 | -91.3 | 169 | 0 | 0 | 0 | 113 | W215 Q219 E262 | W215-I266 HydrophobicContact CZ2-CG1 4.33Å; Q219-I266 HydrophobicContact CB-CG2 4.29Å; E262-I266 HydrophobicContact CG-CD1 3.89Å; E262-I266 VanDerWaalsContact O-CB 3.29Å; E262-I266 WeakPolarHBondContact O-CB 3.39Å; E262-I266 PolarHBondContact O-N 2.89Å |
| 267 | H | 71.6 | Confident | 78.1 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -126.1 | -69.8 | -169.6 | -171.3 | -99 | 0 | 0 | 0 | 112.6 | D185 T263 G269 F271 | D185-H267 WeakPolarHBondContact CB-CE1 3.14Å; D185-H267 WeakPolarHBondContact CB-NE2 3.34Å; D185-H267 IonicContact OD2-CE1 3.14Å; T263-H267 PolarHBondContact O-N 2.87Å; H267-G269 PolarHBondContact O-N 3.25Å; H267-F271 AromaticContact CD2-CE2 3.44Å; H267-F271 VanDerWaalsContact CD2-CE2 3.44Å; H267-F271 WeakPolarHBondContact CD2-CE2 3.29Å; H267-F271 AromaticContact CD2-CZ 3.64Å; H267-F271 AromaticContact CE1-CE2 3.75Å; H267-F271 AromaticContact NE2-CD2 3.94Å; H267-F271 AromaticContact NE2-CE2 3.2Å; H267-F271 WeakPolarHBondContact NE2-CE2 3.28Å; H267-F271 AromaticContact NE2-CZ 3.85Å; H267-F271 WeakPolarHBondContact O-CB 3.3Å; H267-F271 VanDerWaalsContact O-CD1 3.24Å; H267-F271 WeakPolarHBondContact O-CD1 3.36Å; H267-F271 WeakPolarHBondContact O-CG 3.37Å; H267-F271 PolarHBondContact O-N 2.58Å |
| 268 | D | 77.3 | Confident | 79.1 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -73.3 | -39.4 | -162.6 | -60.6 | -37.2 | 0 | 0 | 0 | 113.2 | T263 L272 V299 V300 | T263-D268 PolarHBondContact O-N 3.18Å; D268-L272 WeakPolarHBondContact O-CB 3.36Å; D268-L272 PolarHBondContact O-N 3.03Å; D268-L272 VanDerWaalsContact O-N 3.09Å; D268-V299 HydrophobicContact CB-CG1 4.26Å; D268-V299 WeakPolarHBondContact OD2-CG1 3.31Å; D268-V300 HydrophobicContact CB-CG2 4.06Å |
| 269 | G | 85.4 | Confident | 80.1 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -57.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L264 H267 F271 L272 V273 | L264-G269 VanDerWaalsContact O-CA 3.27Å; L264-G269 WeakPolarHBondContact O-CA 3.21Å; L264-G269 PolarHBondContact O-N 3.08Å; H267-G269 PolarHBondContact O-N 3.25Å; G269-F271 VanDerWaalsContact C-N 3.26Å; G269-F271 PolarHBondContact O-N 3.05Å; G269-L272 PolarHBondContact O-N 3.21Å; G269-V273 WeakPolarHBondContact O-CG2 3.41Å; G269-V273 PolarHBondContact O-N 3.06Å |
| 270 | P | 89.9 | Confident | 81.1 | Confident | 28 Ų | 28 | 38.6 Ų | 38.6 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.4 | -40.1 | 178 | -27.1 | 34.7 | 0 | 0 | 0 | 113.2 | V212 F265 V273 V274 | V212-P270 HydrophobicContact CG1-CB 3.66Å; V212-P270 HydrophobicContact CG2-CB 4.11Å; F265-P270 WeakPolarHBondContact O-CG 3.31Å; P270-V273 PolarHBondContact O-N 3.11Å; P270-V274 WeakPolarHBondContact O-CG2 3.11Å; P270-V274 PolarHBondContact O-N 2.82Å |
| 271 | F | 90.4 | Very high | 81.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -40 | -178.9 | -70 | 10.8 | 0 | 0 | 0 | 111.4 | I186 F189 V212 H267 G269 R275 N296 | I186-F271 HydrophobicContact CB-CZ 4.45Å; I186-F271 HydrophobicContact CG1-CE2 4.27Å; I186-F271 HydrophobicContact CG1-CZ 3.94Å; F189-F271 HydrophobicContact CB-CD2 3.72Å; F189-F271 HydrophobicContact CB-CE2 3.69Å; F189-F271 HydrophobicContact CB-CG 4.25Å; F189-F271 HydrophobicContact CB-CZ 4.23Å; F189-F271 AromaticContact CD1-CD1 3.9Å; F189-F271 HydrophobicContact CD1-CD1 3.9Å; F189-F271 HydrophobicContact CD1-CD2 4.37Å; F189-F271 AromaticContact CD1-CE1 3.8Å; F189-F271 HydrophobicContact CD1-CE1 3.8Å; F189-F271 HydrophobicContact CD1-CE2 4.24Å; F189-F271 HydrophobicContact CD1-CG 4.19Å; F189-F271 AromaticContact CD1-CZ 3.96Å; F189-F271 HydrophobicContact CD1-CZ 3.96Å; F189-F271 HydrophobicContact CD2-CB 3.91Å; F189-F271 HydrophobicContact CD2-CD1 4.21Å; F189-F271 HydrophobicContact CD2-CD2 4.15Å; F189-F271 AromaticContact CD2-CG 3.83Å; F189-F271 HydrophobicContact CD2-CG 3.83Å; F189-F271 AromaticContact CE1-CD1 3.99Å; F189-F271 HydrophobicContact CE1-CD1 3.99Å; F189-F271 HydrophobicContact CE1-CE1 4.08Å; F189-F271 HydrophobicContact CE2-CB 4.13Å; F189-F271 HydrophobicContact CE2-CD1 4.3Å; F189-F271 HydrophobicContact CE2-CG 4.23Å; F189-F271 HydrophobicContact CG-CB 4.39Å; F189-F271 HydrophobicContact CG-CD1 4.01Å; F189-F271 AromaticContact CG-CD2 3.82Å; F189-F271 HydrophobicContact CG-CD2 3.82Å; F189-F271 HydrophobicContact CG-CE1 4.21Å; F189-F271 AromaticContact CG-CE2 3.99Å; F189-F271 HydrophobicContact CG-CE2 3.99Å; F189-F271 AromaticContact CG-CG 3.81Å; F189-F271 HydrophobicContact CG-CG 3.81Å; F189-F271 HydrophobicContact CG-CZ 4.18Å; F189-F271 HydrophobicContact CZ-CD1 4.19Å; V212-F271 HydrophobicContact CG1-CD1 3.43Å; V212-F271 VanDerWaalsContact CG1-CD1 3.43Å; V212-F271 HydrophobicContact CG1-CE1 3.52Å; H267-F271 AromaticContact CD2-CE2 3.44Å; H267-F271 VanDerWaalsContact CD2-CE2 3.44Å; H267-F271 WeakPolarHBondContact CD2-CE2 3.29Å; H267-F271 AromaticContact CD2-CZ 3.64Å; H267-F271 AromaticContact CE1-CE2 3.75Å; H267-F271 AromaticContact NE2-CD2 3.94Å; H267-F271 AromaticContact NE2-CE2 3.2Å; H267-F271 WeakPolarHBondContact NE2-CE2 3.28Å; H267-F271 AromaticContact NE2-CZ 3.85Å; H267-F271 WeakPolarHBondContact O-CB 3.3Å; H267-F271 VanDerWaalsContact O-CD1 3.24Å; H267-F271 WeakPolarHBondContact O-CD1 3.36Å; H267-F271 WeakPolarHBondContact O-CG 3.37Å; H267-F271 PolarHBondContact O-N 2.58Å; G269-F271 VanDerWaalsContact C-N 3.26Å; G269-F271 PolarHBondContact O-N 3.05Å; F271-R275 WeakPolarHBondContact O-CB 3.49Å; F271-R275 VanDerWaalsContact O-CG 3.3Å; F271-R275 WeakPolarHBondContact O-CG 3.28Å; F271-R275 PolarHBondContact O-N 3.42Å; F271-R275 VanDerWaalsContact O-N 3.09Å; F271-N296 VanDerWaalsContact CB-ND2 3.25Å; F271-N296 WeakPolarHBondContact CB-ND2 3.35Å |
| 272 | L | 90.7 | Very high | 82.1 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -47.7 | 173.8 | 179.6 | 64.7 | 0 | 0 | 0 | 111.4 | D268 G269 V274 R275 L276 A293 N296 F297 V300 | D268-L272 WeakPolarHBondContact O-CB 3.36Å; D268-L272 PolarHBondContact O-N 3.03Å; D268-L272 VanDerWaalsContact O-N 3.09Å; G269-L272 PolarHBondContact O-N 3.21Å; L272-V274 PolarHBondContact O-N 3Å; L272-R275 PolarHBondContact O-N 3.25Å; L272-L276 HydrophobicContact CD1-CD1 4.22Å; L272-L276 HydrophobicContact CD1-CG 4.18Å; L272-L276 HydrophobicContact CG-CD1 3.96Å; L272-L276 HydrophobicContact CG-CG 4.33Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.41Å; L272-L276 PolarHBondContact O-N 3.01Å; L272-A293 WeakPolarHBondContact CD1-O 3.31Å; L272-N296 HydrophobicContact CB-CB 4.12Å; L272-N296 HydrophobicContact CD1-CB 4.23Å; L272-F297 HydrophobicContact CD1-CB 4.02Å; L272-F297 HydrophobicContact CD2-CB 4.39Å; L272-F297 HydrophobicContact CD2-CD2 4.12Å; L272-V300 HydrophobicContact CD2-CB 4.44Å; L272-V300 HydrophobicContact CD2-CG2 4.09Å |
| 273 | V | 91.4 | Very high | 82.3 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 49% | 0.485 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.6 | -47.8 | -178.9 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | G269 P270 R275 L276 I277 | G269-V273 WeakPolarHBondContact O-CG2 3.41Å; G269-V273 PolarHBondContact O-N 3.06Å; P270-V273 PolarHBondContact O-N 3.11Å; V273-R275 PolarHBondContact O-N 2.74Å; V273-L276 PolarHBondContact O-N 2.73Å; V273-I277 HydrophobicContact CG1-CD1 3.83Å; V273-I277 VanDerWaalsContact O-CG1 3.28Å; V273-I277 WeakPolarHBondContact O-CG1 3.31Å; V273-I277 PolarHBondContact O-N 3.43Å |
| 274 | V | 90.3 | Very high | 82.5 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | F189 T193 V208 I209 V212 P270 L272 L276 I277 V278 | F189-V274 HydrophobicContact CE2-CB 4.06Å; F189-V274 HydrophobicContact CE2-CG1 4.11Å; F189-V274 HydrophobicContact CZ-CB 3.93Å; F189-V274 HydrophobicContact CZ-CG1 3.88Å; F189-V274 HydrophobicContact CZ-CG2 4.31Å; T193-V274 HydrophobicContact CG2-CG1 4.09Å; V208-V274 HydrophobicContact CG1-CG2 3.86Å; I209-V274 HydrophobicContact CG1-CG1 3.77Å; V212-V274 HydrophobicContact CG2-CG2 3.87Å; P270-V274 WeakPolarHBondContact O-CG2 3.11Å; P270-V274 PolarHBondContact O-N 2.82Å; L272-V274 PolarHBondContact O-N 3Å; V274-L276 VanDerWaalsContact C-N 3.32Å; V274-L276 PolarHBondContact O-N 3.28Å; V274-I277 WeakPolarHBondContact O-CB 3.4Å; V274-I277 PolarHBondContact O-N 2.97Å; V274-V278 HydrophobicContact CG1-CG2 4.46Å; V274-V278 WeakPolarHBondContact O-CG2 3.38Å; V274-V278 PolarHBondContact O-N 3.32Å |
| 275 | R | 89.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.2 | -75.3 | 174.3 | 174.2 | 163.6 | -8.7 | 112.1 | E188 F189 F271 L272 V273 V278 M279 F292 A293 N296 | E188-R275 IonicContact OE1-CZ 3.89Å; E188-R275 IonicContact OE1-NH1 3.96Å; E188-R275 IonicContact OE1-NH2 2.93Å; E188-R275 PolarHBondContact OE1-NH2 2.84Å; F189-R275 HydrophobicContact CD2-CG 4.48Å; F189-R275 HydrophobicContact CE2-CG 4.36Å; F271-R275 WeakPolarHBondContact O-CB 3.49Å; F271-R275 VanDerWaalsContact O-CG 3.3Å; F271-R275 WeakPolarHBondContact O-CG 3.28Å; F271-R275 PolarHBondContact O-N 3.42Å; F271-R275 VanDerWaalsContact O-N 3.09Å; L272-R275 PolarHBondContact O-N 3.25Å; V273-R275 PolarHBondContact O-N 2.74Å; R275-V278 PolarHBondContact O-N 2.95Å; R275-M279 WeakPolarHBondContact O-CG 3.42Å; R275-M279 PolarHBondContact O-N 2.94Å; R275-F292 PolarHBondContact NH1-O 3.4Å; R275-A293 HydrophobicContact CB-CB 4.22Å; R275-N296 PolarHBondContact NH1-ND2 3.26Å; R275-N296 PolarHBondContact NH1-OD1 3.43Å; R275-N296 VanDerWaalsContact NH1-OD1 3.13Å |
| 276 | L | 89.8 | Confident | 82.8 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 173.9 | -71.1 | 173.5 | 0 | 0 | 0 | 111.7 | L272 V273 V274 V278 M279 I280 | L272-L276 HydrophobicContact CD1-CD1 4.22Å; L272-L276 HydrophobicContact CD1-CG 4.18Å; L272-L276 HydrophobicContact CG-CD1 3.96Å; L272-L276 HydrophobicContact CG-CG 4.33Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.41Å; L272-L276 PolarHBondContact O-N 3.01Å; V273-L276 PolarHBondContact O-N 2.73Å; V274-L276 VanDerWaalsContact C-N 3.32Å; V274-L276 PolarHBondContact O-N 3.28Å; L276-V278 VanDerWaalsContact C-N 3.33Å; L276-V278 PolarHBondContact O-N 3.06Å; L276-M279 HydrophobicContact CD2-CE 3.74Å; L276-M279 PolarHBondContact O-N 3.43Å; L276-I280 HydrophobicContact CB-CD1 4.38Å; L276-I280 VanDerWaalsContact O-CB 3.31Å; L276-I280 WeakPolarHBondContact O-CB 3.41Å; L276-I280 VanDerWaalsContact O-CG1 3.25Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 2.85Å |
| 277 | I | 88.6 | Confident | 83.4 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 35% | 0.349 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59 | -47 | 175.5 | -69.8 | 165.2 | 0 | 0 | 0 | 110.1 | L205 V273 V274 H281 | L205-I277 HydrophobicContact CD2-CG2 3.93Å; V273-I277 HydrophobicContact CG1-CD1 3.83Å; V273-I277 VanDerWaalsContact O-CG1 3.28Å; V273-I277 WeakPolarHBondContact O-CG1 3.31Å; V273-I277 PolarHBondContact O-N 3.43Å; V274-I277 WeakPolarHBondContact O-CB 3.4Å; V274-I277 PolarHBondContact O-N 2.97Å; I277-H281 HydrophobicContact CG2-CB 4.5Å; I277-H281 WeakPolarHBondContact O-CB 3.42Å; I277-H281 PolarHBondContact O-N 2.93Å |
| 278 | V | 85.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -59.8 | -50.6 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | T193 V197 L205 V274 R275 L276 I280 F282 G283 T284 L289 | T193-V278 HydrophobicContact CG2-CG2 4.07Å; V197-V278 HydrophobicContact CG2-CG2 4.03Å; L205-V278 HydrophobicContact CD1-CG2 4.01Å; V274-V278 HydrophobicContact CG1-CG2 4.46Å; V274-V278 WeakPolarHBondContact O-CG2 3.38Å; V274-V278 PolarHBondContact O-N 3.32Å; R275-V278 PolarHBondContact O-N 2.95Å; L276-V278 VanDerWaalsContact C-N 3.33Å; L276-V278 PolarHBondContact O-N 3.06Å; V278-I280 PolarHBondContact O-N 3.29Å; V278-F282 WeakPolarHBondContact O-CA 3.46Å; V278-F282 VanDerWaalsContact O-CB 3.3Å; V278-F282 WeakPolarHBondContact O-CB 3.4Å; V278-F282 PolarHBondContact O-N 3.45Å; V278-G283 PolarHBondContact O-N 3.3Å; V278-T284 VanDerWaalsContact CG1-OG1 3.23Å; V278-T284 WeakPolarHBondContact CG1-OG1 3.3Å; V278-L289 HydrophobicContact CG1-CD1 3.94Å |
| 279 | M | 87 | Confident | 84.4 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -63.5 | -44 | 179.9 | -70.3 | -174.3 | -62.9 | 0 | 0 | 113.6 | R275 L276 G283 F285 L289 V290 A293 | R275-M279 WeakPolarHBondContact O-CG 3.42Å; R275-M279 PolarHBondContact O-N 2.94Å; L276-M279 HydrophobicContact CD2-CE 3.74Å; L276-M279 PolarHBondContact O-N 3.43Å; M279-G283 VanDerWaalsContact O-CA 3.26Å; M279-G283 WeakPolarHBondContact O-CA 3.36Å; M279-G283 PolarHBondContact O-N 3.49Å; M279-G283 VanDerWaalsContact O-N 3.16Å; M279-F285 HydrophobicContact CB-CE1 4.1Å; M279-F285 HydrophobicContact CB-CZ 4.47Å; M279-F285 HydrophobicContact CG-CE1 4.36Å; M279-F285 HydrophobicContact SD-CE1 4.42Å; M279-L289 HydrophobicContact CG-CD2 3.18Å; M279-L289 HydrophobicContact SD-CD2 3.67Å; M279-V290 HydrophobicContact SD-CG2 4.03Å; M279-A293 HydrophobicContact CE-CB 3.6Å; M279-A293 HydrophobicContact SD-CB 4.24Å |
| 280 | I | 86.1 | Confident | 84.5 | Confident | 139 Ų | 139 | 58.7 Ų | 58.7 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | I | π-helix | trans | -79.1 | -47.7 | -172.9 | -64.6 | 168.8 | 0 | 0 | 0 | 110.8 | L276 V278 | L276-I280 HydrophobicContact CB-CD1 4.38Å; L276-I280 VanDerWaalsContact O-CB 3.31Å; L276-I280 WeakPolarHBondContact O-CB 3.41Å; L276-I280 VanDerWaalsContact O-CG1 3.25Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 2.85Å; V278-I280 PolarHBondContact O-N 3.29Å |
| 281 | H | 80.7 | Confident | 84.5 | Confident | 143 Ų | 143 | 63.3 Ų | 63.3 | 66% | 0.662 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -81.7 | -36.8 | -172.6 | -173.1 | -86.5 | 0 | 0 | 0 | 112.2 | I277 | I277-H281 HydrophobicContact CG2-CB 4.5Å; I277-H281 WeakPolarHBondContact O-CB 3.42Å; I277-H281 PolarHBondContact O-N 2.93Å |
| 282 | F | 75.4 | Confident | 84.5 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 24% | 0.237 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -101.7 | -12.7 | -177 | -67.1 | -95.5 | 0 | 0 | 0 | 113.5 | E200 S202 L205 V278 T284 | E200-F282 HydrophobicContact CB-CD1 4.05Å; E200-F282 HydrophobicContact CB-CE1 4.45Å; E200-F282 WeakPolarHBondContact OE1-CB 3.42Å; E200-F282 WeakPolarHBondContact OE2-CB 3.36Å; E200-F282 WeakPolarHBondContact OE2-CD1 3.34Å; E200-F282 WeakPolarHBondContact OE2-CG 3.4Å; S202-F282 WeakPolarHBondContact OG-CE1 3.39Å; S202-F282 WeakPolarHBondContact OG-CZ 3.15Å; L205-F282 HydrophobicContact CD1-CD2 3.57Å; L205-F282 HydrophobicContact CD1-CE1 4.26Å; L205-F282 HydrophobicContact CD1-CE2 3.05Å; L205-F282 HydrophobicContact CD1-CG 4.39Å; L205-F282 HydrophobicContact CD1-CZ 3.44Å; L205-F282 VanDerWaalsContact CD1-CZ 3.44Å; L205-F282 HydrophobicContact CD2-CE2 4.14Å; L205-F282 HydrophobicContact CG-CE2 3.66Å; L205-F282 HydrophobicContact CG-CZ 3.82Å; V278-F282 WeakPolarHBondContact O-CA 3.46Å; V278-F282 VanDerWaalsContact O-CB 3.3Å; V278-F282 WeakPolarHBondContact O-CB 3.4Å; V278-F282 PolarHBondContact O-N 3.45Å; F282-T284 PolarHBondContact O-N 3.15Å |
| 283 | G | 70.8 | Confident | 84.4 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | trans | 67.2 | 18.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V278 M279 F285 | V278-G283 PolarHBondContact O-N 3.3Å; M279-G283 VanDerWaalsContact O-CA 3.26Å; M279-G283 WeakPolarHBondContact O-CA 3.36Å; M279-G283 PolarHBondContact O-N 3.49Å; M279-G283 VanDerWaalsContact O-N 3.16Å; G283-F285 VanDerWaalsContact O-CD2 3.24Å; G283-F285 WeakPolarHBondContact O-CD2 3.24Å; G283-F285 PolarHBondContact O-N 3Å | ||
| 284 | T | 73.8 | Confident | 84.4 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -80.7 | 104.1 | 177.6 | 29.2 | 0 | 0 | 0 | 0 | 110.9 | E200 V278 F282 | E200-T284 VanDerWaalsContact CD-CG2 3.43Å; E200-T284 HydrophobicContact CG-CG2 4.29Å; E200-T284 WeakPolarHBondContact OE1-CG2 3.25Å; V278-T284 VanDerWaalsContact CG1-OG1 3.23Å; V278-T284 WeakPolarHBondContact CG1-OG1 3.3Å; F282-T284 PolarHBondContact O-N 3.15Å | ||
| 285 | F | 73.9 | Confident | 84.3 | Confident | 139 Ų | 139 | 68.7 Ų | 68.7 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | trans | -107.6 | 96.5 | 175.4 | -65.3 | -79.4 | 0 | 0 | 0 | 110.2 | M279 G283 V290 | M279-F285 HydrophobicContact CB-CE1 4.1Å; M279-F285 HydrophobicContact CB-CZ 4.47Å; M279-F285 HydrophobicContact CG-CE1 4.36Å; M279-F285 HydrophobicContact SD-CE1 4.42Å; G283-F285 VanDerWaalsContact O-CD2 3.24Å; G283-F285 WeakPolarHBondContact O-CD2 3.24Å; G283-F285 PolarHBondContact O-N 3Å; F285-V290 HydrophobicContact CD1-CG2 4.05Å | ||
| 286 | H | 79.4 | Confident | 84.2 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 37% | 0.366 | 34% | 0.34 | S | S | . | . | trans | -108.8 | 145.2 | 168.3 | -68.9 | -42.2 | 0 | 0 | 0 | 110.4 | D196 R199 M288 L289 V290 | D196-H286 IonicContact OD1-CD2 3.33Å; D196-H286 PolarHBondContact OD1-CD2 3.32Å; D196-H286 IonicContact OD1-NE2 3.75Å; D196-H286 IonicContact OD2-CD2 3.49Å; D196-H286 PolarHBondContact OD2-CD2 2.97Å; R199-H286 PolarHBondContact NH1-NE2 3.41Å; H286-M288 VanDerWaalsContact C-N 3.28Å; H286-M288 PolarHBondContact O-N 3.14Å; H286-L289 HydrophobicContact CB-CB 4.33Å; H286-L289 PolarHBondContact O-N 3.49Å; H286-L289 VanDerWaalsContact O-N 3.14Å; H286-V290 WeakPolarHBondContact O-CG2 3.48Å; H286-V290 PolarHBondContact O-N 2.75Å | ||
| 287 | Q | 84.3 | Confident | 84.2 | Confident | 171 Ų | 171 | 70.4 Ų | 70.4 | 80% | 0.799 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -53.3 | -45.8 | -176.6 | 179.8 | -178.4 | -15.6 | 0 | 0 | 112.1 | F291 | Q287-F291 VanDerWaalsContact O-CB 3.23Å; Q287-F291 WeakPolarHBondContact O-CB 3.41Å; Q287-F291 PolarHBondContact O-N 3.47Å |
| 288 | M | 85.3 | Confident | 84.1 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 179.8 | -61.9 | -56.3 | -67.2 | 0 | 0 | 111.6 | H286 V290 F291 F292 | H286-M288 VanDerWaalsContact C-N 3.28Å; H286-M288 PolarHBondContact O-N 3.14Å; M288-V290 PolarHBondContact O-N 2.91Å; M288-F291 PolarHBondContact O-N 2.86Å; M288-F292 HydrophobicContact CB-CD2 4.22Å; M288-F292 HydrophobicContact CB-CE2 4.06Å; M288-F292 HydrophobicContact CE-CD2 4.47Å; M288-F292 HydrophobicContact CE-CE1 4.47Å; M288-F292 HydrophobicContact CE-CE2 3.44Å; M288-F292 VanDerWaalsContact CE-CE2 3.44Å; M288-F292 HydrophobicContact CE-CZ 3.44Å; M288-F292 VanDerWaalsContact CE-CZ 3.44Å; M288-F292 WeakPolarHBondContact O-CB 3.43Å; M288-F292 WeakPolarHBondContact O-CD2 3.34Å; M288-F292 VanDerWaalsContact O-CG 3.29Å; M288-F292 WeakPolarHBondContact O-CG 3.34Å; M288-F292 PolarHBondContact O-N 3.44Å |
| 289 | L | 84.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | -179.3 | -169.4 | 143.5 | 0 | 0 | 0 | 112 | D196 V278 M279 H286 A293 | D196-L289 WeakPolarHBondContact OD2-CD1 3.46Å; V278-L289 HydrophobicContact CG1-CD1 3.94Å; M279-L289 HydrophobicContact CG-CD2 3.18Å; M279-L289 HydrophobicContact SD-CD2 3.67Å; H286-L289 HydrophobicContact CB-CB 4.33Å; H286-L289 PolarHBondContact O-N 3.49Å; H286-L289 VanDerWaalsContact O-N 3.14Å; L289-A293 VanDerWaalsContact O-CB 3.3Å; L289-A293 WeakPolarHBondContact O-CB 3.34Å; L289-A293 PolarHBondContact O-N 3.08Å |
| 290 | V | 88 | Confident | 84 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 175.8 | 176 | 0 | 0 | 0 | 0 | 111.2 | M279 F285 H286 M288 F292 A293 F294 | M279-V290 HydrophobicContact SD-CG2 4.03Å; F285-V290 HydrophobicContact CD1-CG2 4.05Å; H286-V290 WeakPolarHBondContact O-CG2 3.48Å; H286-V290 PolarHBondContact O-N 2.75Å; M288-V290 PolarHBondContact O-N 2.91Å; V290-F292 VanDerWaalsContact C-N 3.33Å; V290-F292 PolarHBondContact O-N 3.25Å; V290-A293 PolarHBondContact O-N 3.39Å; V290-F294 PolarHBondContact O-N 3.21Å |
| 291 | F | 89.9 | Confident | 83.9 | Confident | 124 Ų | 124 | 70.4 Ų | 70.4 | 54% | 0.544 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 177.8 | 174.4 | -99 | 0 | 0 | 0 | 111.5 | Q287 M288 F294 K295 | Q287-F291 VanDerWaalsContact O-CB 3.23Å; Q287-F291 WeakPolarHBondContact O-CB 3.41Å; Q287-F291 PolarHBondContact O-N 3.47Å; M288-F291 PolarHBondContact O-N 2.86Å; F291-F294 PolarHBondContact O-N 2.92Å; F291-K295 PolarHBondContact O-N 3.38Å |
| 292 | F | 88.6 | Confident | 84 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -75 | -30.1 | -179.5 | -64.5 | -50.9 | 0 | 0 | 0 | 113.5 | E188 E192 R275 M288 V290 F294 K295 N296 | E188-F292 HydrophobicContact CG-CD1 4.41Å; E188-F292 HydrophobicContact CG-CD2 4.06Å; E188-F292 HydrophobicContact CG-CE1 3.95Å; E188-F292 HydrophobicContact CG-CE2 3.53Å; E188-F292 HydrophobicContact CG-CG 4.47Å; E188-F292 HydrophobicContact CG-CZ 3.46Å; E188-F292 VanDerWaalsContact CG-CZ 3.46Å; E188-F292 WeakPolarHBondContact OE1-CD1 3.49Å; E188-F292 WeakPolarHBondContact OE1-CD2 3.31Å; E188-F292 WeakPolarHBondContact OE1-CE1 3.41Å; E188-F292 WeakPolarHBondContact OE1-CG 3.3Å; E188-F292 WeakPolarHBondContact OE2-CE1 2.95Å; E188-F292 WeakPolarHBondContact OE2-CZ 3.47Å; E192-F292 HydrophobicContact CG-CE2 4.26Å; R275-F292 PolarHBondContact NH1-O 3.4Å; M288-F292 HydrophobicContact CB-CD2 4.22Å; M288-F292 HydrophobicContact CB-CE2 4.06Å; M288-F292 HydrophobicContact CE-CD2 4.47Å; M288-F292 HydrophobicContact CE-CE1 4.47Å; M288-F292 HydrophobicContact CE-CE2 3.44Å; M288-F292 VanDerWaalsContact CE-CE2 3.44Å; M288-F292 HydrophobicContact CE-CZ 3.44Å; M288-F292 VanDerWaalsContact CE-CZ 3.44Å; M288-F292 WeakPolarHBondContact O-CB 3.43Å; M288-F292 WeakPolarHBondContact O-CD2 3.34Å; M288-F292 VanDerWaalsContact O-CG 3.29Å; M288-F292 WeakPolarHBondContact O-CG 3.34Å; M288-F292 PolarHBondContact O-N 3.44Å; V290-F292 VanDerWaalsContact C-N 3.33Å; V290-F292 PolarHBondContact O-N 3.25Å; F292-F294 VanDerWaalsContact C-N 3.33Å; F292-K295 HydrophobicContact CD1-CD 4.14Å; F292-K295 PolarHBondContact O-N 3.45Å; F292-N296 PolarHBondContact O-N 3.21Å; F292-N296 PolarHBondContact O-OD1 2.93Å |
| 293 | A | 89.8 | Confident | 84.1 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L272 R275 M279 L289 V290 N296 F297 | L272-A293 WeakPolarHBondContact CD1-O 3.31Å; R275-A293 HydrophobicContact CB-CB 4.22Å; M279-A293 HydrophobicContact CE-CB 3.6Å; M279-A293 HydrophobicContact SD-CB 4.24Å; L289-A293 VanDerWaalsContact O-CB 3.3Å; L289-A293 WeakPolarHBondContact O-CB 3.34Å; L289-A293 PolarHBondContact O-N 3.08Å; V290-A293 PolarHBondContact O-N 3.39Å; A293-N296 PolarHBondContact O-N 3.46Å; A293-F297 WeakPolarHBondContact O-CB 3.22Å; A293-F297 PolarHBondContact O-N 2.94Å |
| 294 | F | 90.9 | Very high | 84.6 | Confident | 128 Ų | 128 | 67.6 Ų | 67.6 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 175.6 | -175.1 | -96.6 | 0 | 0 | 0 | 112.5 | V290 F291 F292 N296 F297 L298 | V290-F294 PolarHBondContact O-N 3.21Å; F291-F294 PolarHBondContact O-N 2.92Å; F292-F294 VanDerWaalsContact C-N 3.33Å; F294-N296 PolarHBondContact O-N 2.97Å; F294-F297 PolarHBondContact O-N 3.2Å; F294-L298 HydrophobicContact CE1-CD1 4.21Å; F294-L298 WeakPolarHBondContact O-CB 3.29Å; F294-L298 PolarHBondContact O-N 3.42Å |
| 295 | K | 88.5 | Confident | 85 | Confident | 63 Ų | 63 | 73.2 Ų | 73.2 | 27% | 0.274 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.1 | -53 | 172.1 | 175.4 | -170.1 | 165 | -169.9 | 0 | 110.6 | D185 E188 F291 F292 F297 L298 V299 | D185-K295 IonicContact OD1-NZ 3.92Å; D185-K295 PolarHBondContact OD1-NZ 3.49Å; E188-K295 IonicContact OE2-NZ 3.84Å; E188-K295 PolarHBondContact OE2-NZ 3.01Å; F291-K295 PolarHBondContact O-N 3.38Å; F292-K295 HydrophobicContact CD1-CD 4.14Å; F292-K295 PolarHBondContact O-N 3.45Å; K295-F297 VanDerWaalsContact C-N 3.34Å; K295-F297 PolarHBondContact O-N 3.01Å; K295-L298 PolarHBondContact O-N 3.43Å; K295-V299 WeakPolarHBondContact O-CG2 3.42Å; K295-V299 PolarHBondContact O-N 3.31Å |
| 296 | N | 88.1 | Confident | 85.2 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.027 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -40.7 | -180 | -73.4 | 11.5 | 0 | 0 | 0 | 112.1 | F271 L272 R275 F292 A293 F294 L298 V299 V300 | F271-N296 VanDerWaalsContact CB-ND2 3.25Å; F271-N296 WeakPolarHBondContact CB-ND2 3.35Å; L272-N296 HydrophobicContact CB-CB 4.12Å; L272-N296 HydrophobicContact CD1-CB 4.23Å; R275-N296 PolarHBondContact NH1-ND2 3.26Å; R275-N296 PolarHBondContact NH1-OD1 3.43Å; R275-N296 VanDerWaalsContact NH1-OD1 3.13Å; F292-N296 PolarHBondContact O-N 3.21Å; F292-N296 PolarHBondContact O-OD1 2.93Å; A293-N296 PolarHBondContact O-N 3.46Å; F294-N296 PolarHBondContact O-N 2.97Å; N296-L298 VanDerWaalsContact C-N 3.34Å; N296-L298 PolarHBondContact O-N 2.82Å; N296-V299 PolarHBondContact O-N 3.37Å; N296-V300 WeakPolarHBondContact O-CB 3.25Å; N296-V300 VanDerWaalsContact O-CG2 3.3Å; N296-V300 WeakPolarHBondContact O-CG2 3.48Å; N296-V300 PolarHBondContact O-N 3.23Å |
| 297 | F | 89.9 | Confident | 85.1 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 45% | 0.452 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 176.6 | -179.8 | -110 | 0 | 0 | 0 | 112 | L272 A293 F294 K295 V300 I301 | L272-F297 HydrophobicContact CD1-CB 4.02Å; L272-F297 HydrophobicContact CD2-CB 4.39Å; L272-F297 HydrophobicContact CD2-CD2 4.12Å; A293-F297 WeakPolarHBondContact O-CB 3.22Å; A293-F297 PolarHBondContact O-N 2.94Å; F294-F297 PolarHBondContact O-N 3.2Å; K295-F297 VanDerWaalsContact C-N 3.34Å; K295-F297 PolarHBondContact O-N 3.01Å; F297-V300 PolarHBondContact O-N 2.95Å; F297-I301 HydrophobicContact CD1-CD1 3.69Å; F297-I301 HydrophobicContact CD2-CD1 4.5Å; F297-I301 HydrophobicContact CE1-CD1 3.21Å; F297-I301 HydrophobicContact CE1-CG1 4.32Å; F297-I301 HydrophobicContact CE2-CD1 4.09Å; F297-I301 HydrophobicContact CE2-CG1 4.44Å; F297-I301 HydrophobicContact CG-CD1 4.33Å; F297-I301 HydrophobicContact CZ-CD1 3.45Å; F297-I301 VanDerWaalsContact CZ-CD1 3.45Å; F297-I301 HydrophobicContact CZ-CG1 4.24Å; F297-I301 WeakPolarHBondContact O-CG1 3.41Å; F297-I301 PolarHBondContact O-N 3.05Å |
| 298 | L | 86.7 | Confident | 85 | Confident | 79 Ų | 79 | 71 Ų | 71 | 41% | 0.414 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.4 | -173.4 | 149.5 | 0 | 0 | 0 | 111.3 | F294 K295 N296 V300 I301 L302 | F294-L298 HydrophobicContact CE1-CD1 4.21Å; F294-L298 WeakPolarHBondContact O-CB 3.29Å; F294-L298 PolarHBondContact O-N 3.42Å; K295-L298 PolarHBondContact O-N 3.43Å; N296-L298 VanDerWaalsContact C-N 3.34Å; N296-L298 PolarHBondContact O-N 2.82Å; L298-V300 PolarHBondContact O-N 3.12Å; L298-I301 PolarHBondContact O-N 3.39Å; L298-L302 HydrophobicContact CD2-CD1 3.53Å; L298-L302 HydrophobicContact CD2-CG 4.12Å; L298-L302 WeakPolarHBondContact O-CG 3.01Å; L298-L302 PolarHBondContact O-N 2.84Å |
| 299 | V | 83.9 | Confident | 84.8 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.5 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | D268 K295 N296 L302 N303 | D268-V299 HydrophobicContact CB-CG1 4.26Å; D268-V299 WeakPolarHBondContact OD2-CG1 3.31Å; K295-V299 WeakPolarHBondContact O-CG2 3.42Å; K295-V299 PolarHBondContact O-N 3.31Å; N296-V299 PolarHBondContact O-N 3.37Å; V299-L302 PolarHBondContact O-N 3.34Å; V299-N303 PolarHBondContact O-N 3.31Å; V299-N303 PolarHBondContact O-ND2 2.91Å |
| 300 | V | 85.4 | Confident | 84.3 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 174.6 | 165.8 | 0 | 0 | 0 | 0 | 111.2 | L264 D268 L272 N296 F297 L298 L302 N303 V304 | L264-V300 HydrophobicContact CD1-CB 4.25Å; L264-V300 HydrophobicContact CD1-CG1 3.95Å; L264-V300 HydrophobicContact CD1-CG2 3.95Å; D268-V300 HydrophobicContact CB-CG2 4.06Å; L272-V300 HydrophobicContact CD2-CB 4.44Å; L272-V300 HydrophobicContact CD2-CG2 4.09Å; N296-V300 WeakPolarHBondContact O-CB 3.25Å; N296-V300 VanDerWaalsContact O-CG2 3.3Å; N296-V300 WeakPolarHBondContact O-CG2 3.48Å; N296-V300 PolarHBondContact O-N 3.23Å; F297-V300 PolarHBondContact O-N 2.95Å; L298-V300 PolarHBondContact O-N 3.12Å; V300-L302 VanDerWaalsContact C-N 3.32Å; V300-L302 PolarHBondContact O-N 3.08Å; V300-N303 PolarHBondContact O-N 3.13Å; V300-V304 HydrophobicContact CG1-CG2 4.41Å; V300-V304 VanDerWaalsContact O-CG2 3.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.34Å; V300-V304 PolarHBondContact O-N 3.26Å |
| 301 | I | 85.4 | Confident | 83.8 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 43% | 0.426 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 176.9 | -72.5 | 169.5 | 0 | 0 | 0 | 111 | F297 L298 N303 V304 Y305 | F297-I301 HydrophobicContact CD1-CD1 3.69Å; F297-I301 HydrophobicContact CD2-CD1 4.5Å; F297-I301 HydrophobicContact CE1-CD1 3.21Å; F297-I301 HydrophobicContact CE1-CG1 4.32Å; F297-I301 HydrophobicContact CE2-CD1 4.09Å; F297-I301 HydrophobicContact CE2-CG1 4.44Å; F297-I301 HydrophobicContact CG-CD1 4.33Å; F297-I301 HydrophobicContact CZ-CD1 3.45Å; F297-I301 VanDerWaalsContact CZ-CD1 3.45Å; F297-I301 HydrophobicContact CZ-CG1 4.24Å; F297-I301 WeakPolarHBondContact O-CG1 3.41Å; F297-I301 PolarHBondContact O-N 3.05Å; L298-I301 PolarHBondContact O-N 3.39Å; I301-N303 PolarHBondContact O-N 2.97Å; I301-V304 PolarHBondContact O-N 3.37Å; I301-Y305 WeakPolarHBondContact O-CB 3.2Å; I301-Y305 PolarHBondContact O-N 3.5Å |
| 302 | L | 80.8 | Confident | 83.3 | Confident | 89 Ų | 89 | 73.7 Ų | 73.7 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 179.8 | -72 | 179.1 | 0 | 0 | 0 | 112.2 | L298 V299 V300 Y305 R306 | L298-L302 HydrophobicContact CD2-CD1 3.53Å; L298-L302 HydrophobicContact CD2-CG 4.12Å; L298-L302 WeakPolarHBondContact O-CG 3.01Å; L298-L302 PolarHBondContact O-N 2.84Å; V299-L302 PolarHBondContact O-N 3.34Å; V300-L302 VanDerWaalsContact C-N 3.32Å; V300-L302 PolarHBondContact O-N 3.08Å; L302-Y305 PolarHBondContact O-N 3.22Å; L302-R306 WeakPolarHBondContact O-CG 3.32Å; L302-R306 PolarHBondContact O-N 3.34Å |
| 303 | N | 78.1 | Confident | 82.7 | Confident | 19 Ų | 19 | 77 Ų | 77 | 10% | 0.102 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 176 | -77.1 | -39.5 | 0 | 0 | 0 | 111.7 | I260 L264 V299 V300 I301 R306 L307 | I260-N303 HydrophobicContact CG2-CB 4.24Å; I260-N303 WeakPolarHBondContact CG2-O 3.43Å; L264-N303 HydrophobicContact CD1-CB 4.46Å; V299-N303 PolarHBondContact O-N 3.31Å; V299-N303 PolarHBondContact O-ND2 2.91Å; V300-N303 PolarHBondContact O-N 3.13Å; I301-N303 PolarHBondContact O-N 2.97Å; N303-R306 PolarHBondContact O-N 2.86Å; N303-L307 WeakPolarHBondContact O-CB 3.38Å; N303-L307 PolarHBondContact O-N 3.01Å |
| 304 | V | 82.4 | Confident | 81.8 | Confident | 73 Ų | 73 | 81.3 Ų | 81.3 | 44% | 0.442 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | V300 I301 R306 L307 Y308 | V300-V304 HydrophobicContact CG1-CG2 4.41Å; V300-V304 VanDerWaalsContact O-CG2 3.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.34Å; V300-V304 PolarHBondContact O-N 3.26Å; I301-V304 PolarHBondContact O-N 3.37Å; V304-R306 PolarHBondContact O-N 3.34Å; V304-L307 WeakPolarHBondContact O-CB 3.28Å; V304-L307 PolarHBondContact O-N 3.32Å; V304-Y308 WeakPolarHBondContact O-CB 3.33Å; V304-Y308 PolarHBondContact O-N 3.15Å |
| 305 | Y | 81.8 | Confident | 81 | Confident | 139 Ų | 139 | 80.8 Ų | 80.8 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 175.5 | 177 | -107.5 | 0 | 0 | 0 | 111.8 | I301 L302 L307 Y308 I309 | I301-Y305 WeakPolarHBondContact O-CB 3.2Å; I301-Y305 PolarHBondContact O-N 3.5Å; L302-Y305 PolarHBondContact O-N 3.22Å; Y305-L307 VanDerWaalsContact C-N 3.35Å; Y305-Y308 WeakPolarHBondContact O-CB 3.28Å; Y305-Y308 PolarHBondContact O-N 3.37Å; Y305-I309 HydrophobicContact CD1-CD1 3.81Å; Y305-I309 HydrophobicContact CE1-CD1 3.23Å; Y305-I309 HydrophobicContact CE1-CG1 4.26Å; Y305-I309 HydrophobicContact CE2-CD1 4.13Å; Y305-I309 HydrophobicContact CE2-CG1 4.35Å; Y305-I309 HydrophobicContact CG-CD1 4.47Å; Y305-I309 VanDerWaalsContact CZ-CD1 3.42Å; Y305-I309 PolarHBondContact O-N 3.33Å |
| 306 | R | 78 | Confident | 80.2 | Confident | 140 Ų | 140 | 80.6 Ų | 80.6 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 172.8 | -76.2 | 178.6 | 178.3 | -166.4 | 0.4 | 112 | I260 L302 N303 V304 Y308 I309 L310 | I260-R306 HydrophobicContact CD1-CB 4.15Å; L302-R306 WeakPolarHBondContact O-CG 3.32Å; L302-R306 PolarHBondContact O-N 3.34Å; N303-R306 PolarHBondContact O-N 2.86Å; V304-R306 PolarHBondContact O-N 3.34Å; R306-Y308 VanDerWaalsContact C-N 3.3Å; R306-Y308 PolarHBondContact O-N 2.98Å; R306-I309 PolarHBondContact O-N 3.49Å; R306-L310 WeakPolarHBondContact O-CB 3.45Å; R306-L310 PolarHBondContact O-N 3.05Å |
| 307 | L | 77 | Confident | 79 | Confident | 56 Ų | 56 | 82.7 Ų | 82.7 | 29% | 0.293 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 176 | -166.2 | 77.2 | 0 | 0 | 0 | 111.3 | L257 I260 V261 N303 V304 Y305 L310 Y311 | L257-L307 HydrophobicContact CD2-CD1 3.46Å; L257-L307 VanDerWaalsContact CD2-CD1 3.46Å; L257-L307 HydrophobicContact CD2-CG 4.4Å; I260-L307 HydrophobicContact CB-CD1 4.46Å; I260-L307 HydrophobicContact CG2-CB 4.29Å; I260-L307 HydrophobicContact CG2-CD1 4.15Å; V261-L307 HydrophobicContact CG2-CD1 4.44Å; N303-L307 WeakPolarHBondContact O-CB 3.38Å; N303-L307 PolarHBondContact O-N 3.01Å; V304-L307 WeakPolarHBondContact O-CB 3.28Å; V304-L307 PolarHBondContact O-N 3.32Å; Y305-L307 VanDerWaalsContact C-N 3.35Å; L307-L310 PolarHBondContact O-N 2.91Å; L307-Y311 VanDerWaalsContact O-CB 3.31Å; L307-Y311 WeakPolarHBondContact O-CB 3.18Å; L307-Y311 PolarHBondContact O-N 2.97Å |
| 308 | Y | 81.7 | Confident | 77.7 | Confident | 146 Ų | 146 | 82.1 Ų | 82.1 | 57% | 0.573 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.1 | -47.3 | 177.7 | 175.4 | -96.4 | 0 | 0 | 0 | 112.5 | V304 Y305 R306 L310 Y311 H312 | V304-Y308 WeakPolarHBondContact O-CB 3.33Å; V304-Y308 PolarHBondContact O-N 3.15Å; Y305-Y308 WeakPolarHBondContact O-CB 3.28Å; Y305-Y308 PolarHBondContact O-N 3.37Å; R306-Y308 VanDerWaalsContact C-N 3.3Å; R306-Y308 PolarHBondContact O-N 2.98Å; Y308-L310 PolarHBondContact O-N 2.64Å; Y308-Y311 PolarHBondContact O-N 2.86Å; Y308-H312 WeakPolarHBondContact O-CB 3.46Å; Y308-H312 PolarHBondContact O-N 3.36Å |
| 309 | I | 81.1 | Confident | 76.2 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 175.9 | -68.6 | 166.3 | 0 | 0 | 0 | 110.1 | Y305 R306 Y311 H312 D313 | Y305-I309 HydrophobicContact CD1-CD1 3.81Å; Y305-I309 HydrophobicContact CE1-CD1 3.23Å; Y305-I309 HydrophobicContact CE1-CG1 4.26Å; Y305-I309 HydrophobicContact CE2-CD1 4.13Å; Y305-I309 HydrophobicContact CE2-CG1 4.35Å; Y305-I309 HydrophobicContact CG-CD1 4.47Å; Y305-I309 VanDerWaalsContact CZ-CD1 3.42Å; Y305-I309 PolarHBondContact O-N 3.33Å; R306-I309 PolarHBondContact O-N 3.49Å; I309-Y311 VanDerWaalsContact C-N 3.28Å; I309-Y311 PolarHBondContact O-N 3.27Å; I309-H312 WeakPolarHBondContact O-CB 3.37Å; I309-H312 PolarHBondContact O-N 3.25Å; I309-D313 PolarHBondContact O-N 3.49Å |
| 310 | L | 75.3 | Confident | 74.2 | Confident | 31 Ų | 31 | 87.1 Ų | 87.1 | 16% | 0.162 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | -177.8 | -174.2 | 55.7 | 0 | 0 | 0 | 112.1 | D256 L257 I260 R306 L307 Y308 F314 | D256-L310 HydrophobicContact CB-CD2 3.87Å; L257-L310 HydrophobicContact CB-CD2 4.4Å; L257-L310 HydrophobicContact CD2-CB 4.34Å; L257-L310 HydrophobicContact CD2-CD2 3.6Å; L257-L310 HydrophobicContact CD2-CG 3.91Å; L257-L310 HydrophobicContact CG-CD2 3.59Å; L257-L310 HydrophobicContact CG-CG 4.09Å; I260-L310 HydrophobicContact CD1-CD2 4.21Å; R306-L310 WeakPolarHBondContact O-CB 3.45Å; R306-L310 PolarHBondContact O-N 3.05Å; L307-L310 PolarHBondContact O-N 2.91Å; Y308-L310 PolarHBondContact O-N 2.64Å; L310-F314 WeakPolarHBondContact O-CB 3.47Å; L310-F314 PolarHBondContact O-N 3.31Å |
| 311 | Y | 77.3 | Confident | 72.3 | Confident | 151 Ų | 151 | 95.5 Ų | 95.5 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -41 | 173.3 | 178.7 | -100.8 | 0 | 0 | 0 | 112.2 | L307 Y308 I309 F314 K315 | L307-Y311 VanDerWaalsContact O-CB 3.31Å; L307-Y311 WeakPolarHBondContact O-CB 3.18Å; L307-Y311 PolarHBondContact O-N 2.97Å; Y308-Y311 PolarHBondContact O-N 2.86Å; I309-Y311 VanDerWaalsContact C-N 3.28Å; I309-Y311 PolarHBondContact O-N 3.27Å; Y311-F314 PolarHBondContact O-N 3.18Å; Y311-K315 PolarHBondContact O-N 3.23Å |
| 312 | H | 78.2 | Confident | 71.6 | Confident | 100 Ų | 100 | 96.2 Ų | 96.2 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.6 | -174.4 | -86 | 0 | 0 | 0 | 112 | Y308 I309 F314 K315 S316 | Y308-H312 WeakPolarHBondContact O-CB 3.46Å; Y308-H312 PolarHBondContact O-N 3.36Å; I309-H312 WeakPolarHBondContact O-CB 3.37Å; I309-H312 PolarHBondContact O-N 3.25Å; H312-F314 VanDerWaalsContact C-N 3.31Å; H312-F314 PolarHBondContact O-N 2.9Å; H312-K315 PolarHBondContact O-N 3.27Å; H312-S316 PolarHBondContact O-N 3.45Å; H312-S316 PolarHBondContact O-OG 3.37Å |
| 313 | D | 75.8 | Confident | 71.1 | Confident | 88 Ų | 88 | 96.5 Ų | 96.5 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 175.5 | -71.6 | -13.5 | 0 | 0 | 0 | 111.8 | I309 S316 S317 | I309-D313 PolarHBondContact O-N 3.49Å; D313-S316 WeakPolarHBondContact CA-OG 3.41Å; D313-S316 PolarHBondContact O-OG 2.89Å; D313-S317 WeakPolarHBondContact O-CB 3.29Å; D313-S317 PolarHBondContact O-N 3.34Å; D313-S317 VanDerWaalsContact O-N 3.13Å |
| 314 | F | 71.2 | Confident | 70.8 | Confident | 97 Ų | 97 | 100.8 Ų | 100.8 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 171.6 | -176 | -97.6 | 0 | 0 | 0 | 111.1 | L310 Y311 H312 S316 S317 V318 | L310-F314 WeakPolarHBondContact O-CB 3.47Å; L310-F314 PolarHBondContact O-N 3.31Å; Y311-F314 PolarHBondContact O-N 3.18Å; H312-F314 VanDerWaalsContact C-N 3.31Å; H312-F314 PolarHBondContact O-N 2.9Å; F314-S316 PolarHBondContact O-N 3.42Å; F314-S317 PolarHBondContact O-N 3.15Å; F314-S317 PolarHBondContact O-OG 2.97Å; F314-V318 HydrophobicContact CD1-CG2 4.42Å; F314-V318 HydrophobicContact CE1-CG2 4.03Å; F314-V318 HydrophobicContact CZ-CG2 4.14Å; F314-V318 WeakPolarHBondContact O-CG2 3.43Å; F314-V318 PolarHBondContact O-N 3.37Å |
| 315 | K | 74.4 | Confident | 70.1 | Confident | 118 Ų | 118 | 102.5 Ų | 102.5 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | -179.5 | -173 | 179.4 | 178.6 | -175.8 | 0 | 112.8 | Y311 H312 H319 | Y311-K315 PolarHBondContact O-N 3.23Å; H312-K315 PolarHBondContact O-N 3.27Å; K315-H319 PolarHBondContact O-ND1 3.11Å |
| 316 | S | 71.4 | Confident | 69.3 | Low | 58 Ų | 58 | 100.2 Ų | 100.2 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -35.8 | 178.2 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | H312 D313 F314 V318 H319 S320 | H312-S316 PolarHBondContact O-N 3.45Å; H312-S316 PolarHBondContact O-OG 3.37Å; D313-S316 WeakPolarHBondContact CA-OG 3.41Å; D313-S316 PolarHBondContact O-OG 2.89Å; F314-S316 PolarHBondContact O-N 3.42Å; S316-V318 VanDerWaalsContact C-N 3.33Å; S316-V318 PolarHBondContact O-N 3.37Å; S316-H319 PolarHBondContact O-N 3.38Å; S316-S320 PolarHBondContact O-OG 3.13Å; S316-S320 VanDerWaalsContact O-OG 3.1Å |
| 317 | S | 63.3 | Low | 68.8 | Low | 49 Ų | 49 | 97.5 Ų | 97.5 | 34% | 0.343 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -32.2 | 176 | 76.6 | 0 | 0 | 0 | 0 | 113.6 | D313 F314 H319 | D313-S317 WeakPolarHBondContact O-CB 3.29Å; D313-S317 PolarHBondContact O-N 3.34Å; D313-S317 VanDerWaalsContact O-N 3.13Å; F314-S317 PolarHBondContact O-N 3.15Å; F314-S317 PolarHBondContact O-OG 2.97Å; S317-H319 VanDerWaalsContact C-N 3.33Å |
| 318 | V | 61.9 | Low | 68.2 | Low | 91 Ų | 91 | 100.5 Ų | 100.5 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.8 | -21.1 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 112.5 | F314 S316 | F314-V318 HydrophobicContact CD1-CG2 4.42Å; F314-V318 HydrophobicContact CE1-CG2 4.03Å; F314-V318 HydrophobicContact CZ-CG2 4.14Å; F314-V318 WeakPolarHBondContact O-CG2 3.43Å; F314-V318 PolarHBondContact O-N 3.37Å; S316-V318 VanDerWaalsContact C-N 3.33Å; S316-V318 PolarHBondContact O-N 3.37Å |
| 319 | H | 54.7 | Low | 67.1 | Low | 144 Ų | 144 | 97 Ų | 97 | 67% | 0.667 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 8.6 | -178.6 | -74.2 | 74.8 | 0 | 0 | 0 | 113.9 | K315 S316 S317 | K315-H319 PolarHBondContact O-ND1 3.11Å; S316-H319 PolarHBondContact O-N 3.38Å; S317-H319 VanDerWaalsContact C-N 3.33Å |
| 320 | S | 43.6 | Very low | 66 | Low | 84 Ų | 84 | 101 Ų | 101 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | trans | -90.4 | 116 | 173.9 | -57.8 | 0 | 0 | 0 | 0 | 108.9 | S316 | S316-S320 PolarHBondContact O-OG 3.13Å; S316-S320 VanDerWaalsContact O-OG 3.1Å | ||
| 321 | P | 44.4 | Very low | 65.1 | Low | 201 Ų | 201 | 107.4 Ų | 107.4 | 100% | 1.305 | 58% | 0.575 | S | S | * | * | trans | -68.3 | 0 | -175.7 | 27.7 | -34.6 | 0 | 0 | 0 | 114.4 |
Retrieved 321 of 321 residues in 2408.7 ms
(Link to these results)