| 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 | 63 | Low | 84.7 | Confident | 67 Ų | 67 | 44.9 Ų | 44.9 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | 0 | 140.5 | 0 | -176.9 | 166.6 | -170.1 | 0 | 0 | 108.2 | M5 K6 F84 I144 | M1-M5 HydrophobicContact CE-CB 4.49Å; M1-K6 HydrophobicContact CE-CB 4.01Å; M1-K6 HydrophobicContact SD-CB 4.29Å; M1-F84 HydrophobicContact CE-CB 3.76Å; M1-F84 HydrophobicContact CE-CD1 3.56Å; M1-F84 HydrophobicContact CE-CD2 4.5Å; M1-F84 HydrophobicContact CE-CE1 4.32Å; M1-F84 HydrophobicContact CE-CG 3.67Å; M1-F84 HydrophobicContact SD-CB 3.75Å; M1-F84 HydrophobicContact SD-CD1 4.11Å; M1-F84 HydrophobicContact SD-CD2 3.97Å; M1-F84 HydrophobicContact SD-CG 3.65Å; M1-I144 WeakPolarHBondContact CA-O 3.26Å; M1-I144 HydrophobicContact CB-CG2 4.14Å; M1-I144 HydrophobicContact CE-CG2 3.96Å; M1-I144 HydrophobicContact CG-CG2 3.75Å; M1-I144 HydrophobicContact SD-CG2 3.69Å | |||
| 2 | D | 73.3 | Confident | 85.5 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | trans | -73.6 | 136.7 | 174.4 | -175.4 | -13.9 | 0 | 0 | 0 | 110.6 | F4 M5 K6 | D2-F4 VanDerWaalsContact C-N 3.34Å; D2-F4 PolarHBondContact OD1-N 2.85Å; D2-M5 HydrophobicContact CB-CB 4.12Å; D2-M5 HydrophobicContact CB-CG 3.68Å; D2-M5 PolarHBondContact O-N 2.72Å; D2-K6 PolarHBondContact O-N 3.28Å | ||
| 3 | G | 83.7 | Confident | 86 | Confident | 52 Ų | 52 | 38 Ų | 38 | 54% | 0.536 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K6 E7 | G3-K6 PolarHBondContact O-N 3.27Å; G3-E7 PolarHBondContact O-N 3.05Å |
| 4 | F | 86.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 36.9 Ų | 36.9 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 178.9 | -176.5 | -103 | 0 | 0 | 0 | 111.8 | D2 E7 S8 D113 M114 A117 I151 | D2-F4 VanDerWaalsContact C-N 3.34Å; D2-F4 PolarHBondContact OD1-N 2.85Å; F4-E7 PolarHBondContact O-N 2.74Å; F4-S8 WeakPolarHBondContact O-CB 3.46Å; F4-S8 PolarHBondContact O-N 3.31Å; F4-S8 PolarHBondContact O-OG 3.18Å; F4-D113 HydrophobicContact CE1-CB 4.26Å; F4-D113 HydrophobicContact CE2-CB 4.5Å; F4-D113 HydrophobicContact CZ-CB 3.61Å; F4-M114 HydrophobicContact CE1-CG 4.46Å; F4-M114 HydrophobicContact CE2-CE 3.79Å; F4-M114 HydrophobicContact CE2-CG 4.03Å; F4-M114 HydrophobicContact CZ-CB 4.5Å; F4-M114 HydrophobicContact CZ-CE 4.33Å; F4-M114 HydrophobicContact CZ-CG 3.61Å; F4-A117 HydrophobicContact CD1-CB 4.33Å; F4-A117 HydrophobicContact CE1-CB 3.89Å; F4-I151 HydrophobicContact CB-CD1 4.29Å; F4-I151 HydrophobicContact CD1-CD1 3.73Å; F4-I151 HydrophobicContact CE1-CD1 4.46Å; F4-I151 HydrophobicContact CG-CD1 4.2Å |
| 5 | M | 84.7 | Confident | 86.8 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.7 | -37.2 | 175.8 | -56.4 | -66.7 | -81.8 | 0 | 0 | 111.6 | M1 D2 L9 A117 L121 | M1-M5 HydrophobicContact CE-CB 4.49Å; D2-M5 HydrophobicContact CB-CB 4.12Å; D2-M5 HydrophobicContact CB-CG 3.68Å; D2-M5 PolarHBondContact O-N 2.72Å; M5-L9 PolarHBondContact O-N 2.77Å; M5-L9 VanDerWaalsContact O-N 3.08Å; M5-A117 HydrophobicContact CE-CB 4.35Å; M5-A117 HydrophobicContact SD-CB 3.58Å; M5-A117 VanDerWaalsContact SD-CB 3.58Å; M5-L121 HydrophobicContact CE-CD1 3.77Å; M5-L121 HydrophobicContact CE-CD2 3.86Å; M5-L121 HydrophobicContact CE-CG 3.56Å |
| 6 | K | 87.1 | Confident | 87 | Confident | 64 Ų | 64 | 37.9 Ų | 37.9 | 28% | 0.278 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.7 | -46 | 174.1 | -177.5 | 165 | -174.7 | 171.5 | 0 | 111.3 | M1 D2 G3 L10 D80 F84 | M1-K6 HydrophobicContact CE-CB 4.01Å; M1-K6 HydrophobicContact SD-CB 4.29Å; D2-K6 PolarHBondContact O-N 3.28Å; G3-K6 PolarHBondContact O-N 3.27Å; K6-L10 HydrophobicContact CG-CD1 4.03Å; K6-L10 WeakPolarHBondContact O-CB 3.46Å; K6-L10 WeakPolarHBondContact O-CD1 3.28Å; K6-L10 VanDerWaalsContact O-CG 3.26Å; K6-L10 WeakPolarHBondContact O-CG 3.36Å; K6-L10 PolarHBondContact O-N 3.34Å; K6-L10 VanDerWaalsContact O-N 3.12Å; K6-D80 VanDerWaalsContact NZ-CG 3.29Å; K6-D80 IonicContact NZ-OD1 3.17Å; K6-D80 PolarHBondContact NZ-OD1 3.11Å; K6-D80 IonicContact NZ-OD2 3.47Å; K6-D80 PolarHBondContact NZ-OD2 3.19Å; K6-F84 HydrophobicContact CD-CE2 4.13Å; K6-F84 HydrophobicContact CD-CZ 3.99Å; K6-F84 HydrophobicContact CG-CE1 3.83Å; K6-F84 HydrophobicContact CG-CE2 4.2Å; K6-F84 HydrophobicContact CG-CZ 3.59Å |
| 7 | E | 89.4 | Confident | 87.1 | Confident | 88 Ų | 88 | 36.6 Ų | 36.6 | 41% | 0.411 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.5 | -167.6 | -174.9 | 144.8 | 0 | 0 | 112.1 | G3 F4 L9 L10 K11 | G3-E7 PolarHBondContact O-N 3.05Å; F4-E7 PolarHBondContact O-N 2.74Å; E7-L9 PolarHBondContact O-N 2.74Å; E7-L10 PolarHBondContact O-N 3.01Å; E7-K11 HydrophobicContact CG-CD 4.16Å; E7-K11 WeakPolarHBondContact O-CB 3.49Å; E7-K11 PolarHBondContact O-N 2.71Å; E7-K11 VanDerWaalsContact OE1-CE 3.27Å; E7-K11 WeakPolarHBondContact OE1-CE 3.38Å; E7-K11 IonicContact OE1-NZ 2.9Å; E7-K11 PolarHBondContact OE1-NZ 2.86Å |
| 8 | S | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 178.4 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | F4 K11 W12 | F4-S8 WeakPolarHBondContact O-CB 3.46Å; F4-S8 PolarHBondContact O-N 3.31Å; F4-S8 PolarHBondContact O-OG 3.18Å; S8-K11 PolarHBondContact O-N 3.4Å; S8-W12 WeakPolarHBondContact O-CB 3.42Å; S8-W12 PolarHBondContact O-N 2.75Å |
| 9 | L | 90.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 178.4 | -154.9 | 87.1 | 0 | 0 | 0 | 111.9 | M5 E7 W12 I13 F84 C87 L88 L91 L121 | M5-L9 PolarHBondContact O-N 2.77Å; M5-L9 VanDerWaalsContact O-N 3.08Å; E7-L9 PolarHBondContact O-N 2.74Å; L9-W12 HydrophobicContact CD1-CE3 3.92Å; L9-W12 HydrophobicContact CD1-CZ3 4.16Å; L9-W12 PolarHBondContact O-N 3.5Å; L9-I13 HydrophobicContact CD2-CD1 4.01Å; L9-I13 HydrophobicContact CG-CD1 4.02Å; L9-I13 WeakPolarHBondContact O-CD1 3.45Å; L9-I13 WeakPolarHBondContact O-CG1 3.22Å; L9-I13 PolarHBondContact O-N 2.77Å; L9-F84 HydrophobicContact CB-CD1 4.45Å; L9-F84 HydrophobicContact CB-CE1 4.48Å; L9-F84 HydrophobicContact CD2-CD1 3.67Å; L9-F84 HydrophobicContact CD2-CE1 4.23Å; L9-C87 HydrophobicContact CD2-CB 4.39Å; L9-L88 HydrophobicContact CD1-CD1 4.4Å; L9-L91 HydrophobicContact CD1-CD1 4.01Å; L9-L91 HydrophobicContact CD2-CD1 4.28Å; L9-L91 HydrophobicContact CG-CD1 4.16Å; L9-L121 HydrophobicContact CD1-CD1 4.22Å |
| 10 | L | 91.7 | Very high | 87.2 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.8 | -72 | 167.8 | 0 | 0 | 0 | 112.1 | K6 E7 S14 V21 I24 F84 | K6-L10 HydrophobicContact CG-CD1 4.03Å; K6-L10 WeakPolarHBondContact O-CB 3.46Å; K6-L10 WeakPolarHBondContact O-CD1 3.28Å; K6-L10 VanDerWaalsContact O-CG 3.26Å; K6-L10 WeakPolarHBondContact O-CG 3.36Å; K6-L10 PolarHBondContact O-N 3.34Å; K6-L10 VanDerWaalsContact O-N 3.12Å; E7-L10 PolarHBondContact O-N 3.01Å; L10-S14 VanDerWaalsContact O-CB 3.32Å; L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 2.86Å; L10-S14 PolarHBondContact O-OG 3.48Å; L10-V21 HydrophobicContact CD2-CG1 4.31Å; L10-I24 HydrophobicContact CD2-CD1 4.09Å; L10-I24 HydrophobicContact CD2-CG1 3.85Å; L10-F84 HydrophobicContact CD1-CZ 4.22Å; L10-F84 HydrophobicContact CD2-CE1 4.29Å; L10-F84 HydrophobicContact CD2-CZ 4.11Å; L10-F84 HydrophobicContact CG-CE1 4.07Å; L10-F84 HydrophobicContact CG-CZ 4.1Å |
| 11 | K | 92 | Very high | 87.1 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 174.3 | -79.8 | 178.2 | 165.8 | 171.5 | 0 | 112 | E7 S8 S14 L15 L110 M114 | E7-K11 HydrophobicContact CG-CD 4.16Å; E7-K11 WeakPolarHBondContact O-CB 3.49Å; E7-K11 PolarHBondContact O-N 2.71Å; E7-K11 VanDerWaalsContact OE1-CE 3.27Å; E7-K11 WeakPolarHBondContact OE1-CE 3.38Å; E7-K11 IonicContact OE1-NZ 2.9Å; E7-K11 PolarHBondContact OE1-NZ 2.86Å; S8-K11 PolarHBondContact O-N 3.4Å; K11-S14 WeakPolarHBondContact O-CB 3.32Å; K11-S14 PolarHBondContact O-N 2.81Å; K11-L15 PolarHBondContact O-N 2.77Å; K11-L110 HydrophobicContact CB-CD2 3.84Å; K11-M114 HydrophobicContact CD-CE 4.01Å; K11-M114 HydrophobicContact CD-SD 3.64Å |
| 12 | W | 94.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -48 | 175.3 | -175.9 | 29.4 | 0 | 0 | 0 | 112.3 | S8 L9 S14 L15 I16 L91 L95 F103 L110 I118 I122 | S8-W12 WeakPolarHBondContact O-CB 3.42Å; S8-W12 PolarHBondContact O-N 2.75Å; L9-W12 HydrophobicContact CD1-CE3 3.92Å; L9-W12 HydrophobicContact CD1-CZ3 4.16Å; L9-W12 PolarHBondContact O-N 3.5Å; W12-S14 VanDerWaalsContact C-N 3.26Å; W12-S14 PolarHBondContact O-N 2.73Å; W12-L15 PolarHBondContact O-N 3Å; W12-I16 HydrophobicContact CD2-CD1 4.06Å; W12-I16 HydrophobicContact CG-CD1 4.03Å; W12-I16 HydrophobicContact CZ2-CD1 4.26Å; W12-I16 VanDerWaalsContact O-CG1 3.31Å; W12-I16 WeakPolarHBondContact O-CG1 3.41Å; W12-I16 PolarHBondContact O-N 2.94Å; W12-L91 HydrophobicContact CE3-CD1 4.04Å; W12-L91 HydrophobicContact CH2-CB 4.23Å; W12-L91 HydrophobicContact CH2-CD1 4.47Å; W12-L91 HydrophobicContact CH2-CD2 4.45Å; W12-L91 HydrophobicContact CZ3-CB 4.27Å; W12-L91 HydrophobicContact CZ3-CD1 3.82Å; W12-L91 HydrophobicContact CZ3-CG 4.44Å; W12-L95 HydrophobicContact CH2-CD1 4.07Å; W12-F103 WeakPolarHBondContact CZ2-O 3.37Å; W12-F103 PolarHBondContact NE1-O 3.36Å; W12-L110 HydrophobicContact CB-CD1 3.92Å; W12-L110 HydrophobicContact CG-CD1 4.48Å; W12-I118 HydrophobicContact CB-CD1 3.76Å; W12-I118 HydrophobicContact CD2-CD1 4.31Å; W12-I118 HydrophobicContact CD2-CG2 4.08Å; W12-I118 HydrophobicContact CE3-CD1 4.44Å; W12-I118 HydrophobicContact CE3-CG1 4.31Å; W12-I118 HydrophobicContact CE3-CG2 3.81Å; W12-I118 HydrophobicContact CG-CD1 4.04Å; W12-I118 HydrophobicContact CH2-CG2 4.31Å; W12-I118 HydrophobicContact CZ3-CG2 3.93Å; W12-I122 HydrophobicContact CH2-CD1 3.67Å; W12-I122 HydrophobicContact CH2-CG1 4.23Å; W12-I122 HydrophobicContact CZ2-CD1 4.24Å; W12-I122 HydrophobicContact CZ3-CD1 4.16Å; W12-I122 HydrophobicContact CZ3-CG1 4.48Å |
| 13 | I | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 175 | -64.6 | 160.3 | 0 | 0 | 0 | 111.1 | L9 I16 T17 V21 I24 V28 L32 C87 L91 | L9-I13 HydrophobicContact CD2-CD1 4.01Å; L9-I13 HydrophobicContact CG-CD1 4.02Å; L9-I13 WeakPolarHBondContact O-CD1 3.45Å; L9-I13 WeakPolarHBondContact O-CG1 3.22Å; L9-I13 PolarHBondContact O-N 2.77Å; I13-I16 PolarHBondContact O-N 3.37Å; I13-T17 HydrophobicContact CG2-CG2 4.27Å; I13-T17 WeakPolarHBondContact O-CB 3.19Å; I13-T17 WeakPolarHBondContact O-CG2 3.17Å; I13-T17 PolarHBondContact O-N 3.37Å; I13-T17 PolarHBondContact O-OG1 2.79Å; I13-V21 HydrophobicContact CG2-CB 4.27Å; I13-V21 HydrophobicContact CG2-CG1 4.06Å; I13-V21 HydrophobicContact CG2-CG2 4.16Å; I13-I24 HydrophobicContact CD1-CD1 3.93Å; I13-I24 HydrophobicContact CD1-CG1 4.08Å; I13-V28 HydrophobicContact CG2-CG1 3.68Å; I13-L32 HydrophobicContact CG1-CD1 4.47Å; I13-L32 HydrophobicContact CG2-CD1 4.32Å; I13-C87 WeakPolarHBondContact CD1-SG 3.42Å; I13-L91 HydrophobicContact CD1-CD1 4.17Å; I13-L91 HydrophobicContact CG1-CD1 3.96Å |
| 14 | S | 92.4 | Very high | 88.7 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | L10 K11 W12 E18 R19 V21 | L10-S14 VanDerWaalsContact O-CB 3.32Å; L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 2.86Å; L10-S14 PolarHBondContact O-OG 3.48Å; K11-S14 WeakPolarHBondContact O-CB 3.32Å; K11-S14 PolarHBondContact O-N 2.81Å; W12-S14 VanDerWaalsContact C-N 3.26Å; W12-S14 PolarHBondContact O-N 2.73Å; S14-E18 PolarHBondContact O-N 3.3Å; S14-E18 VanDerWaalsContact O-N 3.16Å; S14-R19 CarbonylContact C-O 3.56Å; S14-R19 WeakPolarHBondContact CA-O 3.26Å; S14-R19 WeakPolarHBondContact CB-O 3.42Å; S14-R19 PolarHBondContact O-N 2.83Å; S14-R19 VanDerWaalsContact O-N 3.13Å; S14-R19 VanDerWaalsContact O-O 3.1Å; S14-R19 PolarHBondContact OG-O 3.12Å; S14-V21 PolarHBondContact OG-N 3.37Å |
| 15 | L | 91.3 | Very high | 88.6 | Confident | 76 Ų | 76 | 56 Ų | 56 | 40% | 0.398 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.8 | -44.7 | 174.6 | -65.1 | 173.8 | 0 | 0 | 0 | 111.5 | K11 W12 T17 E18 P106 D109 L110 | K11-L15 PolarHBondContact O-N 2.77Å; W12-L15 PolarHBondContact O-N 3Å; L15-T17 VanDerWaalsContact C-N 3.28Å; L15-T17 PolarHBondContact O-N 3.4Å; L15-E18 PolarHBondContact O-N 2.86Å; L15-P106 HydrophobicContact CB-CB 3.76Å; L15-P106 WeakPolarHBondContact CD1-O 3.3Å; L15-D109 HydrophobicContact CD1-CB 4.26Å; L15-L110 HydrophobicContact CD1-CD2 3.55Å; L15-L110 HydrophobicContact CD1-CG 3.89Å |
| 16 | I | 91 | Very high | 88.5 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.9 | -39.8 | 176.4 | -65.2 | 160.6 | 0 | 0 | 0 | 112 | W12 I13 L32 L35 L91 F103 P106 | W12-I16 HydrophobicContact CD2-CD1 4.06Å; W12-I16 HydrophobicContact CG-CD1 4.03Å; W12-I16 HydrophobicContact CZ2-CD1 4.26Å; W12-I16 VanDerWaalsContact O-CG1 3.31Å; W12-I16 WeakPolarHBondContact O-CG1 3.41Å; W12-I16 PolarHBondContact O-N 2.94Å; I13-I16 PolarHBondContact O-N 3.37Å; I16-L32 HydrophobicContact CB-CD2 4.21Å; I16-L32 HydrophobicContact CD1-CD2 4.38Å; I16-L32 HydrophobicContact CG2-CD2 3.59Å; I16-L35 HydrophobicContact CG2-CD1 3.96Å; I16-L35 WeakPolarHBondContact O-CD1 3.33Å; I16-L91 HydrophobicContact CD1-CD2 3.81Å; I16-F103 HydrophobicContact CD1-CD1 3.95Å; I16-F103 HydrophobicContact CG1-CD1 4.38Å; I16-F103 HydrophobicContact CG2-CD1 3.81Å; I16-F103 HydrophobicContact CG2-CE1 3.78Å; I16-P106 HydrophobicContact CG1-CB 3.86Å; I16-P106 HydrophobicContact CG1-CG 4.06Å |
| 17 | T | 88.7 | Confident | 88.5 | Confident | 16 Ų | 16 | 57 Ų | 57 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 1.3 | -173.8 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | I13 L15 R19 V21 L32 L35 | I13-T17 HydrophobicContact CG2-CG2 4.27Å; I13-T17 WeakPolarHBondContact O-CB 3.19Å; I13-T17 WeakPolarHBondContact O-CG2 3.17Å; I13-T17 PolarHBondContact O-N 3.37Å; I13-T17 PolarHBondContact O-OG1 2.79Å; L15-T17 VanDerWaalsContact C-N 3.28Å; L15-T17 PolarHBondContact O-N 3.4Å; T17-R19 WeakPolarHBondContact O-CG 3.41Å; T17-R19 PolarHBondContact O-N 2.78Å; T17-R19 VanDerWaalsContact O-N 3.14Å; T17-V21 WeakPolarHBondContact OG1-CG2 3.21Å; T17-L32 HydrophobicContact CG2-CD2 3.87Å; T17-L32 HydrophobicContact CG2-CG 4.28Å; T17-L35 HydrophobicContact CG2-CD1 4.45Å |
| 18 | E | 88.6 | Confident | 88.4 | Confident | 185 Ų | 185 | 53.5 Ų | 53.5 | 86% | 0.864 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 29.6 | -172.8 | -60.4 | -176.6 | 178.3 | 0 | 0 | 113.7 | S14 L15 | S14-E18 PolarHBondContact O-N 3.3Å; S14-E18 VanDerWaalsContact O-N 3.16Å; L15-E18 PolarHBondContact O-N 2.86Å |
| 19 | R | 86.9 | Confident | 88.3 | Confident | 131 Ų | 131 | 53.5 Ų | 53.5 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -136.3 | 145.8 | -174.9 | -70.4 | 175 | -170.4 | -166.4 | 11 | 110.1 | S14 T17 V21 E27 N31 | S14-R19 CarbonylContact C-O 3.56Å; S14-R19 WeakPolarHBondContact CA-O 3.26Å; S14-R19 WeakPolarHBondContact CB-O 3.42Å; S14-R19 PolarHBondContact O-N 2.83Å; S14-R19 VanDerWaalsContact O-N 3.13Å; S14-R19 VanDerWaalsContact O-O 3.1Å; S14-R19 PolarHBondContact OG-O 3.12Å; T17-R19 WeakPolarHBondContact O-CG 3.41Å; T17-R19 PolarHBondContact O-N 2.78Å; T17-R19 VanDerWaalsContact O-N 3.14Å; R19-V21 HydrophobicContact CB-CG2 4.31Å; R19-V21 PolarHBondContact O-N 2.8Å; R19-E27 IonicContact CZ-OE1 3.66Å; R19-E27 IonicContact NH1-OE1 3.26Å; R19-E27 PolarHBondContact NH1-OE1 3.38Å; R19-E27 IonicContact NH2-OE1 2.9Å; R19-N31 PolarHBondContact NH1-ND2 2.91Å |
| 20 | N | 87 | Confident | 88.2 | Confident | 153 Ų | 153 | 53.6 Ų | 53.6 | 82% | 0.818 | 28% | 0.275 | S | S | * | . | trans | -76.3 | 95.5 | 173.8 | -171.1 | -12.2 | 0 | 0 | 0 | 110.1 | S22 | N20-S22 PolarHBondContact O-N 3.38Š| ||
| 21 | V | 85.9 | Confident | 88 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | trans | -91.3 | 94.8 | -175.4 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | L10 I13 S14 T17 R19 L23 V28 | L10-V21 HydrophobicContact CD2-CG1 4.31Å; I13-V21 HydrophobicContact CG2-CB 4.27Å; I13-V21 HydrophobicContact CG2-CG1 4.06Å; I13-V21 HydrophobicContact CG2-CG2 4.16Å; S14-V21 PolarHBondContact OG-N 3.37Å; T17-V21 WeakPolarHBondContact OG1-CG2 3.21Å; R19-V21 HydrophobicContact CB-CG2 4.31Å; R19-V21 PolarHBondContact O-N 2.8Å; V21-L23 VanDerWaalsContact CG1-O 3.31Å; V21-L23 WeakPolarHBondContact CG1-O 3.39Å; V21-V28 HydrophobicContact CG1-CG1 4Å; V21-V28 HydrophobicContact CG1-CG2 4Å; V21-V28 HydrophobicContact CG2-CG2 4.36Å | ||
| 22 | S | 83.6 | Confident | 87.8 | Confident | 105 Ų | 105 | 50 Ų | 50 | 73% | 0.734 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -84.2 | -13.7 | 174.3 | 61.2 | 0 | 0 | 0 | 0 | 114.2 | N20 | N20-S22 PolarHBondContact O-N 3.38Š|
| 23 | L | 83.9 | Confident | 87.5 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 60% | 0.597 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -147.7 | 136.2 | -178.4 | -178.8 | 65.9 | 0 | 0 | 0 | 109 | V21 | V21-L23 VanDerWaalsContact CG1-O 3.31Å; V21-L23 WeakPolarHBondContact CG1-O 3.39Å |
| 24 | I | 84.6 | Confident | 87.2 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | trans | -87 | 128.8 | 171.5 | -62.3 | 158.7 | 0 | 0 | 0 | 108 | L10 I13 L29 L83 F84 C87 | L10-I24 HydrophobicContact CD2-CD1 4.09Å; L10-I24 HydrophobicContact CD2-CG1 3.85Å; I13-I24 HydrophobicContact CD1-CD1 3.93Å; I13-I24 HydrophobicContact CD1-CG1 4.08Å; I24-L29 HydrophobicContact CG2-CD1 4.36Å; I24-L29 HydrophobicContact CG2-CD2 3.96Å; I24-L29 HydrophobicContact CG2-CG 3.95Å; I24-L83 HydrophobicContact CB-CD1 4Å; I24-L83 HydrophobicContact CB-CG 4.38Å; I24-L83 HydrophobicContact CG2-CD1 3.91Å; I24-F84 HydrophobicContact CD1-CD1 3.77Å; I24-F84 HydrophobicContact CD1-CD2 4.4Å; I24-F84 HydrophobicContact CD1-CE1 3.41Å; I24-F84 VanDerWaalsContact CD1-CE1 3.41Å; I24-F84 HydrophobicContact CD1-CE2 4.08Å; I24-F84 HydrophobicContact CD1-CG 4.26Å; I24-F84 HydrophobicContact CD1-CZ 3.56Å; I24-C87 HydrophobicContact CD1-CB 3.91Å; I24-C87 HydrophobicContact CG2-CB 4.18Å | ||
| 25 | D | 84.8 | Confident | 86.9 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | trans | -138.5 | -173.8 | 175.7 | 71 | 16.8 | 0 | 0 | 0 | 111.9 | E27 V28 L29 | D25-E27 VanDerWaalsContact C-N 3.3Å; D25-E27 PolarHBondContact O-N 3.35Å; D25-E27 WeakPolarHBondContact OD1-CA 3.44Å; D25-E27 WeakPolarHBondContact OD1-CB 3.42Å; D25-E27 PolarHBondContact OD1-N 2.8Å; D25-V28 PolarHBondContact O-N 3.33Å; D25-V28 PolarHBondContact OD1-N 2.76Å; D25-L29 WeakPolarHBondContact O-CG 3.48Å; D25-L29 PolarHBondContact O-N 2.89Å; D25-L29 VanDerWaalsContact O-N 3.08Å | ||
| 26 | G | 83 | Confident | 86.5 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -27 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N30 | G26-N30 WeakPolarHBondContact O-CB 3.39Å; G26-N30 PolarHBondContact O-N 2.93Å; G26-N30 PolarHBondContact O-ND2 3.38Å |
| 27 | E | 86.4 | Confident | 85.8 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 38% | 0.383 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.9 | -47.6 | 175.8 | -160.1 | -157.1 | 120 | 0 | 0 | 110 | R19 D25 L29 N30 N31 | R19-E27 IonicContact CZ-OE1 3.66Å; R19-E27 IonicContact NH1-OE1 3.26Å; R19-E27 PolarHBondContact NH1-OE1 3.38Å; R19-E27 IonicContact NH2-OE1 2.9Å; D25-E27 VanDerWaalsContact C-N 3.3Å; D25-E27 PolarHBondContact O-N 3.35Å; D25-E27 WeakPolarHBondContact OD1-CA 3.44Å; D25-E27 WeakPolarHBondContact OD1-CB 3.42Å; D25-E27 PolarHBondContact OD1-N 2.8Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 2.88Å; E27-N30 CarbonylContact O-C 3.58Å; E27-N30 PolarHBondContact O-N 3.35Å; E27-N31 PolarHBondContact O-N 2.83Å; E27-N31 PolarHBondContact O-ND2 3.39Å; E27-N31 VanDerWaalsContact O-ND2 3.12Å; E27-N31 PolarHBondContact OE1-ND2 2.8Å |
| 28 | V | 88.5 | Confident | 84.6 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.3 | -47.8 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | I13 V21 D25 N30 N31 L32 | I13-V28 HydrophobicContact CG2-CG1 3.68Å; V21-V28 HydrophobicContact CG1-CG1 4Å; V21-V28 HydrophobicContact CG1-CG2 4Å; V21-V28 HydrophobicContact CG2-CG2 4.36Å; D25-V28 PolarHBondContact O-N 3.33Å; D25-V28 PolarHBondContact OD1-N 2.76Å; V28-N30 VanDerWaalsContact C-N 3.29Å; V28-N30 PolarHBondContact O-N 2.88Å; V28-N31 PolarHBondContact O-N 3.38Å; V28-L32 WeakPolarHBondContact O-CG 3.44Å; V28-L32 PolarHBondContact O-N 3.42Å; V28-L32 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 88.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -31.6 | 177.6 | -67.9 | 176.2 | 0 | 0 | 0 | 112.9 | I24 D25 E27 I33 I52 V73 L86 C87 V90 | I24-L29 HydrophobicContact CG2-CD1 4.36Å; I24-L29 HydrophobicContact CG2-CD2 3.96Å; I24-L29 HydrophobicContact CG2-CG 3.95Å; D25-L29 WeakPolarHBondContact O-CG 3.48Å; D25-L29 PolarHBondContact O-N 2.89Å; D25-L29 VanDerWaalsContact O-N 3.08Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 2.88Å; L29-I33 WeakPolarHBondContact O-CG1 3.24Å; L29-I33 PolarHBondContact O-N 2.61Å; L29-I52 HydrophobicContact CB-CD1 3.78Å; L29-I52 HydrophobicContact CB-CG1 4.44Å; L29-I52 HydrophobicContact CD1-CD1 4.08Å; L29-V73 HydrophobicContact CD1-CG1 4.33Å; L29-L86 HydrophobicContact CD1-CD2 4.15Å; L29-L86 HydrophobicContact CD1-CG 4.46Å; L29-C87 HydrophobicContact CD2-CB 3.97Å; L29-V90 HydrophobicContact CD2-CB 4.28Å; L29-V90 HydrophobicContact CD2-CG1 4.43Å; L29-V90 HydrophobicContact CD2-CG2 4.29Å |
| 30 | N | 86.6 | Confident | 81.5 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -76.2 | -39.3 | 175 | -87.4 | -95.6 | 0 | 0 | 0 | 112.5 | G26 E27 V28 L32 I33 D34 Y48 R51 | G26-N30 WeakPolarHBondContact O-CB 3.39Å; G26-N30 PolarHBondContact O-N 2.93Å; G26-N30 PolarHBondContact O-ND2 3.38Å; E27-N30 CarbonylContact O-C 3.58Å; E27-N30 PolarHBondContact O-N 3.35Å; V28-N30 VanDerWaalsContact C-N 3.29Å; V28-N30 PolarHBondContact O-N 2.88Å; N30-L32 VanDerWaalsContact C-N 3.28Å; N30-L32 PolarHBondContact O-N 3.14Å; N30-I33 CarbonylContact O-C 3.49Å; N30-I33 PolarHBondContact O-N 2.88Å; N30-D34 PolarHBondContact O-N 3.31Å; N30-Y48 HydrophobicContact CB-CD1 4.23Å; N30-Y48 HydrophobicContact CB-CE1 4.25Å; N30-Y48 VanDerWaalsContact CG-CD1 3.47Å; N30-Y48 WeakPolarHBondContact ND2-CD1 3.26Å; N30-R51 VanDerWaalsContact OD1-CD 3.28Å; N30-R51 WeakPolarHBondContact OD1-CD 3.35Å; N30-R51 PolarHBondContact OD1-NH1 3.43Å |
| 31 | N | 87.3 | Confident | 79.9 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 174.2 | -70.4 | -43.3 | 0 | 0 | 0 | 111.2 | R19 E27 V28 D34 L35 | R19-N31 PolarHBondContact NH1-ND2 2.91Å; E27-N31 PolarHBondContact O-N 2.83Å; E27-N31 PolarHBondContact O-ND2 3.39Å; E27-N31 VanDerWaalsContact O-ND2 3.12Å; E27-N31 PolarHBondContact OE1-ND2 2.8Å; V28-N31 PolarHBondContact O-N 3.38Å; N31-D34 PolarHBondContact O-N 2.75Å; N31-L35 VanDerWaalsContact O-CG 3.32Å; N31-L35 WeakPolarHBondContact O-CG 3.32Å; N31-L35 PolarHBondContact O-N 2.99Å |
| 32 | L | 89.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 172.2 | -69 | 171.6 | 0 | 0 | 0 | 112.4 | I13 I16 T17 V28 N30 L35 S36 V90 L91 F103 | I13-L32 HydrophobicContact CG1-CD1 4.47Å; I13-L32 HydrophobicContact CG2-CD1 4.32Å; I16-L32 HydrophobicContact CB-CD2 4.21Å; I16-L32 HydrophobicContact CD1-CD2 4.38Å; I16-L32 HydrophobicContact CG2-CD2 3.59Å; T17-L32 HydrophobicContact CG2-CD2 3.87Å; T17-L32 HydrophobicContact CG2-CG 4.28Å; V28-L32 WeakPolarHBondContact O-CG 3.44Å; V28-L32 PolarHBondContact O-N 3.42Å; V28-L32 VanDerWaalsContact O-N 3.08Å; N30-L32 VanDerWaalsContact C-N 3.28Å; N30-L32 PolarHBondContact O-N 3.14Å; L32-L35 PolarHBondContact O-N 3.43Å; L32-S36 PolarHBondContact O-N 2.85Å; L32-V90 HydrophobicContact CB-CG1 4.35Å; L32-L91 HydrophobicContact CD1-CD2 3.98Å; L32-L91 HydrophobicContact CD1-CG 4.31Å; L32-L91 HydrophobicContact CD2-CD2 4Å; L32-F103 HydrophobicContact CD2-CE1 4.09Å; L32-F103 WeakPolarHBondContact O-CZ 3.39Å |
| 33 | I | 88 | Confident | 77 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.046 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.7 | -69.4 | 169 | 0 | 0 | 0 | 111.4 | L29 N30 S36 I52 F55 V90 | L29-I33 WeakPolarHBondContact O-CG1 3.24Å; L29-I33 PolarHBondContact O-N 2.61Å; N30-I33 CarbonylContact O-C 3.49Å; N30-I33 PolarHBondContact O-N 2.88Å; I33-S36 VanDerWaalsContact O-CB 3.31Å; I33-S36 WeakPolarHBondContact O-CB 3.49Å; I33-S36 PolarHBondContact O-N 2.7Å; I33-S36 PolarHBondContact O-OG 3.16Å; I33-I52 HydrophobicContact CD1-CB 4.27Å; I33-I52 HydrophobicContact CD1-CG1 3.67Å; I33-F55 HydrophobicContact CD1-CB 3.94Å; I33-F55 HydrophobicContact CD1-CD1 3.83Å; I33-F55 HydrophobicContact CD1-CG 3.93Å; I33-F55 HydrophobicContact CG1-CB 4.37Å; I33-F55 HydrophobicContact CG1-CD1 3.72Å; I33-F55 HydrophobicContact CG1-CD2 4.24Å; I33-F55 HydrophobicContact CG1-CE1 3.98Å; I33-F55 HydrophobicContact CG1-CE2 4.46Å; I33-F55 HydrophobicContact CG1-CG 3.86Å; I33-F55 HydrophobicContact CG1-CZ 4.34Å; I33-F55 HydrophobicContact CG2-CB 4.27Å; I33-F55 HydrophobicContact CG2-CD2 3.85Å; I33-F55 HydrophobicContact CG2-CE2 4.36Å; I33-F55 HydrophobicContact CG2-CG 4.05Å; I33-V90 HydrophobicContact CD1-CG1 4.37Å; I33-V90 HydrophobicContact CG1-CG1 3.96Å |
| 34 | D | 85.9 | Confident | 75.7 | Confident | 90 Ų | 90 | 49.9 Ų | 49.9 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 176.2 | -82.2 | -61.9 | 0 | 0 | 0 | 112.3 | N30 N31 S36 G37 R51 | N30-D34 PolarHBondContact O-N 3.31Å; N31-D34 PolarHBondContact O-N 2.75Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 3.02Å; D34-G37 PolarHBondContact O-N 3.05Å; D34-R51 VanDerWaalsContact CG-NH2 3.27Å; D34-R51 IonicContact OD1-CZ 4Å; D34-R51 IonicContact OD1-NH1 3.79Å; D34-R51 IonicContact OD1-NH2 3.68Å; D34-R51 PolarHBondContact OD1-NH2 2.82Å; D34-R51 IonicContact OD2-CZ 3.86Å; D34-R51 IonicContact OD2-NH1 2.81Å; D34-R51 PolarHBondContact OD2-NH1 3.1Å; D34-R51 IonicContact OD2-NH2 2.65Å; D34-R51 PolarHBondContact OD2-NH2 2.68Å |
| 35 | L | 85.8 | Confident | 74.7 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.3 | -19.3 | 173.8 | -69 | 167.5 | 0 | 0 | 0 | 113.7 | I16 T17 N31 L32 G37 S99 F103 | I16-L35 HydrophobicContact CG2-CD1 3.96Å; I16-L35 WeakPolarHBondContact O-CD1 3.33Å; T17-L35 HydrophobicContact CG2-CD1 4.45Å; N31-L35 VanDerWaalsContact O-CG 3.32Å; N31-L35 WeakPolarHBondContact O-CG 3.32Å; N31-L35 PolarHBondContact O-N 2.99Å; L32-L35 PolarHBondContact O-N 3.43Å; L35-G37 PolarHBondContact O-N 3.31Å; L35-S99 PolarHBondContact O-OG 3.28Å; L35-F103 HydrophobicContact CB-CE1 4.49Å; L35-F103 HydrophobicContact CB-CE2 4.41Å; L35-F103 HydrophobicContact CB-CZ 3.74Å |
| 36 | S | 83.2 | Confident | 73.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.4 | 178.3 | 80.3 | 0 | 0 | 0 | 0 | 113.9 | L32 I33 D34 A38 C97 S99 | L32-S36 PolarHBondContact O-N 2.85Å; I33-S36 VanDerWaalsContact O-CB 3.31Å; I33-S36 WeakPolarHBondContact O-CB 3.49Å; I33-S36 PolarHBondContact O-N 2.7Å; I33-S36 PolarHBondContact O-OG 3.16Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 3.02Å; S36-A38 PolarHBondContact O-N 2.87Å; S36-A38 VanDerWaalsContact OG-CB 3.25Å; S36-A38 WeakPolarHBondContact OG-CB 3.19Å; S36-A38 PolarHBondContact OG-N 3.44Å; S36-C97 WeakPolarHBondContact O-CB 3.26Å; S36-S99 WeakPolarHBondContact CA-OG 3.29Å; S36-S99 PolarHBondContact O-OG 2.86Å |
| 37 | G | 75.2 | Confident | 73.8 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 68% | 0.68 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 10.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | D34 L35 F39 | D34-G37 PolarHBondContact O-N 3.05Å; L35-G37 PolarHBondContact O-N 3.31Å; G37-F39 PolarHBondContact O-N 2.86Å |
| 38 | A | 63.4 | Low | 73.6 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 12% | 0.124 | 35% | 0.354 | C | S | . | . | trans | -76.9 | 122.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S36 F55 C97 | S36-A38 PolarHBondContact O-N 2.87Å; S36-A38 VanDerWaalsContact OG-CB 3.25Å; S36-A38 WeakPolarHBondContact OG-CB 3.19Å; S36-A38 PolarHBondContact OG-N 3.44Å; A38-F55 HydrophobicContact CB-CD2 4.26Å; A38-F55 HydrophobicContact CB-CE2 3.85Å; A38-C97 HydrophobicContact CB-CB 4.49Å | ||
| 39 | F | 56.7 | Low | 73.5 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | trans | 48.7 | 101 | 163.3 | -71.9 | -75.8 | 0 | 0 | 0 | 117.1 | G37 S41 V42 | G37-F39 PolarHBondContact O-N 2.86Å; F39-S41 PolarHBondContact O-N 3.35Å; F39-V42 HydrophobicContact CB-CG2 3.94Å; F39-V42 PolarHBondContact O-N 2.9Å | ||
| 40 | P | 53.7 | Low | 73.3 | Confident | 118 Ų | 118 | 69 Ų | 69 | 77% | 0.766 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 6.8 | 167.4 | 28.5 | -36 | 0 | 0 | 0 | 114.5 | T43 | P40-T43 PolarHBondContact O-OG1 2.81Å; P40-T43 VanDerWaalsContact O-OG1 3.14Å |
| 41 | S | 53.4 | Low | 73.3 | Confident | 99 Ų | 99 | 70.6 Ų | 70.6 | 69% | 0.692 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6 | 167.1 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | F39 | F39-S41 PolarHBondContact O-N 3.35Š|
| 42 | V | 56.3 | Low | 73.2 | Confident | 18 Ų | 18 | 68.7 Ų | 68.7 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -93.9 | -7.3 | 177.3 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | F39 T44 F55 | F39-V42 HydrophobicContact CB-CG2 3.94Å; F39-V42 PolarHBondContact O-N 2.9Å; V42-T44 PolarHBondContact O-N 3.48Å; V42-F55 HydrophobicContact CG1-CB 4.43Å |
| 43 | T | 53.6 | Low | 73.1 | Confident | 73 Ų | 73 | 69.7 Ų | 69.7 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 47.8 | -154.3 | 63.5 | 0 | 0 | 0 | 0 | 115.5 | P40 | P40-T43 PolarHBondContact O-OG1 2.81Å; P40-T43 VanDerWaalsContact O-OG1 3.14Å |
| 44 | T | 56.4 | Low | 72.9 | Confident | 140 Ų | 140 | 72.1 Ų | 72.1 | 86% | 0.859 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | -3.2 | 177.8 | 60 | 0 | 0 | 0 | 0 | 117.3 | V42 | V42-T44 PolarHBondContact O-N 3.48Š|
| 45 | S | 63.2 | Low | 73 | Confident | 34 Ų | 34 | 67.9 Ų | 67.9 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | trans | -94.4 | 130.1 | 172.9 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | C47 E50 | S45-C47 PolarHBondContact O-N 3.38Å; S45-C47 WeakPolarHBondContact OG-CB 3.27Å; S45-C47 PolarHBondContact OG-N 3.16Å; S45-C47 VanDerWaalsContact OG-N 3.1Å; S45-E50 WeakPolarHBondContact CB-OE2 3.33Å; S45-E50 PolarHBondContact OG-OE2 2.85Å | ||
| 46 | E | 66.3 | Low | 73.1 | Confident | 198 Ų | 198 | 64.1 Ų | 64.1 | 93% | 0.925 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -70.4 | -14.5 | 167.4 | -62.2 | -179 | 153.7 | 0 | 0 | 111.8 | Y48 | E46-Y48 PolarHBondContact O-N 3.01Š|
| 47 | C | 81.6 | Confident | 73.2 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | trans | -84.1 | 110.2 | -178.8 | -171.8 | 0 | 0 | 0 | 0 | 111 | S45 K49 E50 R51 | S45-C47 PolarHBondContact O-N 3.38Å; S45-C47 WeakPolarHBondContact OG-CB 3.27Å; S45-C47 PolarHBondContact OG-N 3.16Å; S45-C47 VanDerWaalsContact OG-N 3.1Å; C47-K49 PolarHBondContact O-N 3.03Å; C47-E50 HydrophobicContact CB-CB 4.24Å; C47-E50 HydrophobicContact CB-CG 4.09Å; C47-E50 PolarHBondContact O-N 2.85Å; C47-R51 PolarHBondContact O-N 3.34Å | ||
| 48 | Y | 83.7 | Confident | 73.5 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 41% | 0.408 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -48.9 | -35.9 | 175.1 | -66 | -30.1 | 0 | 0 | 0 | 113.5 | N30 E46 R51 I52 | N30-Y48 HydrophobicContact CB-CD1 4.23Å; N30-Y48 HydrophobicContact CB-CE1 4.25Å; N30-Y48 VanDerWaalsContact CG-CD1 3.47Å; N30-Y48 WeakPolarHBondContact ND2-CD1 3.26Å; E46-Y48 PolarHBondContact O-N 3.01Å; Y48-R51 PolarHBondContact O-N 3.24Å; Y48-I52 WeakPolarHBondContact O-CB 3.47Å; Y48-I52 WeakPolarHBondContact O-CD1 3.42Å; Y48-I52 VanDerWaalsContact O-CG1 3.29Å; Y48-I52 WeakPolarHBondContact O-CG1 3.37Å; Y48-I52 PolarHBondContact O-N 3.05Å |
| 49 | K | 85.3 | Confident | 74.5 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.3 | -55.2 | 176.4 | -176 | -171.6 | -179.5 | 179.8 | 0 | 111.2 | C47 R51 I52 S53 V70 E71 I74 | C47-K49 PolarHBondContact O-N 3.03Å; K49-R51 PolarHBondContact O-N 2.97Å; K49-I52 PolarHBondContact O-N 2.83Å; K49-S53 WeakPolarHBondContact O-CB 3.48Å; K49-S53 PolarHBondContact O-N 3.42Å; K49-S53 PolarHBondContact O-OG 2.82Å; K49-S53 VanDerWaalsContact O-OG 3.09Å; K49-V70 HydrophobicContact CB-CG1 4.44Å; K49-V70 HydrophobicContact CG-CB 4.39Å; K49-V70 HydrophobicContact CG-CG1 4Å; K49-E71 HydrophobicContact CD-CB 4.07Å; K49-E71 HydrophobicContact CD-CG 4.41Å; K49-E71 IonicContact NZ-OE2 3.99Å; K49-E71 PolarHBondContact NZ-OE2 2.99Å; K49-I74 HydrophobicContact CB-CD1 3.92Å |
| 50 | E | 84.1 | Confident | 75.5 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -35.5 | -179.4 | -65.2 | -176.9 | 164.5 | 0 | 0 | 111.5 | S45 C47 S54 | S45-E50 WeakPolarHBondContact CB-OE2 3.33Å; S45-E50 PolarHBondContact OG-OE2 2.85Å; C47-E50 HydrophobicContact CB-CB 4.24Å; C47-E50 HydrophobicContact CB-CG 4.09Å; C47-E50 PolarHBondContact O-N 2.85Å; E50-S54 WeakPolarHBondContact O-CB 3.41Å; E50-S54 PolarHBondContact O-N 2.89Å; E50-S54 PolarHBondContact O-OG 2.91Å |
| 51 | R | 86.1 | Confident | 76.3 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 14% | 0.143 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.5 | -46.7 | 179 | -163.9 | 158.7 | -175.6 | -112.8 | 6.3 | 112.5 | N30 D34 C47 Y48 K49 F55 | N30-R51 VanDerWaalsContact OD1-CD 3.28Å; N30-R51 WeakPolarHBondContact OD1-CD 3.35Å; N30-R51 PolarHBondContact OD1-NH1 3.43Å; D34-R51 VanDerWaalsContact CG-NH2 3.27Å; D34-R51 IonicContact OD1-CZ 4Å; D34-R51 IonicContact OD1-NH1 3.79Å; D34-R51 IonicContact OD1-NH2 3.68Å; D34-R51 PolarHBondContact OD1-NH2 2.82Å; D34-R51 IonicContact OD2-CZ 3.86Å; D34-R51 IonicContact OD2-NH1 2.81Å; D34-R51 PolarHBondContact OD2-NH1 3.1Å; D34-R51 IonicContact OD2-NH2 2.65Å; D34-R51 PolarHBondContact OD2-NH2 2.68Å; C47-R51 PolarHBondContact O-N 3.34Å; Y48-R51 PolarHBondContact O-N 3.24Å; K49-R51 PolarHBondContact O-N 2.97Å; R51-F55 WeakPolarHBondContact O-CB 3.28Å; R51-F55 PolarHBondContact O-N 3.09Å |
| 52 | I | 87.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 174.5 | -68.5 | 162.9 | 0 | 0 | 0 | 110.8 | L29 I33 Y48 K49 S54 F55 L56 V70 I74 L86 V90 | L29-I52 HydrophobicContact CB-CD1 3.78Å; L29-I52 HydrophobicContact CB-CG1 4.44Å; L29-I52 HydrophobicContact CD1-CD1 4.08Å; I33-I52 HydrophobicContact CD1-CB 4.27Å; I33-I52 HydrophobicContact CD1-CG1 3.67Å; Y48-I52 WeakPolarHBondContact O-CB 3.47Å; Y48-I52 WeakPolarHBondContact O-CD1 3.42Å; Y48-I52 VanDerWaalsContact O-CG1 3.29Å; Y48-I52 WeakPolarHBondContact O-CG1 3.37Å; Y48-I52 PolarHBondContact O-N 3.05Å; K49-I52 PolarHBondContact O-N 2.83Å; I52-S54 PolarHBondContact O-N 3.41Å; I52-F55 PolarHBondContact O-N 3.3Å; I52-L56 HydrophobicContact CG2-CD1 4.09Å; I52-L56 HydrophobicContact CG2-CG 4.46Å; I52-L56 WeakPolarHBondContact O-CG 3.16Å; I52-L56 PolarHBondContact O-N 3.29Å; I52-V70 HydrophobicContact CB-CG1 4.24Å; I52-V70 HydrophobicContact CG2-CG1 4.06Å; I52-I74 HydrophobicContact CD1-CD1 4.14Å; I52-L86 HydrophobicContact CG2-CD1 4.33Å; I52-V90 HydrophobicContact CG2-CG2 4.2Å |
| 53 | S | 86.5 | Confident | 77.5 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 176.9 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | K49 F55 L56 D57 | K49-S53 WeakPolarHBondContact O-CB 3.48Å; K49-S53 PolarHBondContact O-N 3.42Å; K49-S53 PolarHBondContact O-OG 2.82Å; K49-S53 VanDerWaalsContact O-OG 3.09Å; S53-F55 VanDerWaalsContact C-N 3.34Å; S53-F55 PolarHBondContact O-N 2.59Å; S53-L56 PolarHBondContact O-N 3.42Å; S53-D57 WeakPolarHBondContact O-CB 3.27Å; S53-D57 PolarHBondContact O-N 2.89Å |
| 54 | S | 84.2 | Confident | 78.6 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.1 | -34 | 179.7 | -59 | 0 | 0 | 0 | 0 | 112.8 | E50 I52 A58 | E50-S54 WeakPolarHBondContact O-CB 3.41Å; E50-S54 PolarHBondContact O-N 2.89Å; E50-S54 PolarHBondContact O-OG 2.91Å; I52-S54 PolarHBondContact O-N 3.41Å; S54-A58 WeakPolarHBondContact O-CB 3.35Å; S54-A58 PolarHBondContact O-N 2.89Å |
| 55 | F | 88.3 | Confident | 79.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -51.6 | 172.5 | 173.6 | -102.5 | 0 | 0 | 0 | 111.3 | I33 A38 V42 R51 I52 S53 D57 A58 I59 V90 | I33-F55 HydrophobicContact CD1-CB 3.94Å; I33-F55 HydrophobicContact CD1-CD1 3.83Å; I33-F55 HydrophobicContact CD1-CG 3.93Å; I33-F55 HydrophobicContact CG1-CB 4.37Å; I33-F55 HydrophobicContact CG1-CD1 3.72Å; I33-F55 HydrophobicContact CG1-CD2 4.24Å; I33-F55 HydrophobicContact CG1-CE1 3.98Å; I33-F55 HydrophobicContact CG1-CE2 4.46Å; I33-F55 HydrophobicContact CG1-CG 3.86Å; I33-F55 HydrophobicContact CG1-CZ 4.34Å; I33-F55 HydrophobicContact CG2-CB 4.27Å; I33-F55 HydrophobicContact CG2-CD2 3.85Å; I33-F55 HydrophobicContact CG2-CE2 4.36Å; I33-F55 HydrophobicContact CG2-CG 4.05Å; A38-F55 HydrophobicContact CB-CD2 4.26Å; A38-F55 HydrophobicContact CB-CE2 3.85Å; V42-F55 HydrophobicContact CG1-CB 4.43Å; R51-F55 WeakPolarHBondContact O-CB 3.28Å; R51-F55 PolarHBondContact O-N 3.09Å; I52-F55 PolarHBondContact O-N 3.3Å; S53-F55 VanDerWaalsContact C-N 3.34Å; S53-F55 PolarHBondContact O-N 2.59Å; F55-D57 PolarHBondContact O-N 3.47Å; F55-A58 PolarHBondContact O-N 2.95Å; F55-I59 HydrophobicContact CD2-CG1 4.25Å; F55-I59 HydrophobicContact CE2-CD1 4.42Å; F55-I59 HydrophobicContact CE2-CG1 3.99Å; F55-I59 HydrophobicContact CZ-CG1 4.17Å; F55-I59 WeakPolarHBondContact O-CG1 3.27Å; F55-I59 PolarHBondContact O-N 3.49Å; F55-V90 HydrophobicContact CE1-CG1 4.27Å |
| 56 | L | 87.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | -177.5 | -67.2 | -178 | 0 | 0 | 0 | 113.1 | I52 S53 A58 I59 F60 V64 L86 T89 V90 | I52-L56 HydrophobicContact CG2-CD1 4.09Å; I52-L56 HydrophobicContact CG2-CG 4.46Å; I52-L56 WeakPolarHBondContact O-CG 3.16Å; I52-L56 PolarHBondContact O-N 3.29Å; S53-L56 PolarHBondContact O-N 3.42Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.01Å; L56-I59 PolarHBondContact O-N 3.2Å; L56-F60 HydrophobicContact CD2-CD2 4.19Å; L56-F60 HydrophobicContact CD2-CE2 3.85Å; L56-F60 PolarHBondContact O-N 2.97Å; L56-F60 VanDerWaalsContact O-N 3.08Å; L56-V64 HydrophobicContact CB-CG1 4.45Å; L56-L86 HydrophobicContact CD1-CD1 3.64Å; L56-T89 HydrophobicContact CD1-CG2 4.18Å; L56-T89 HydrophobicContact CD2-CG2 3.82Å; L56-V90 HydrophobicContact CD1-CG2 4.39Å; L56-V90 HydrophobicContact CD2-CG2 4.06Å; L56-V90 HydrophobicContact CG-CG2 4.47Å |
| 57 | D | 84.5 | Confident | 81.3 | Confident | 42 Ų | 42 | 52.4 Ų | 52.4 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72 | -23.1 | 178.2 | -72.3 | -26.3 | 0 | 0 | 0 | 113.2 | S53 F55 H61 G63 V64 S65 | S53-D57 WeakPolarHBondContact O-CB 3.27Å; S53-D57 PolarHBondContact O-N 2.89Å; F55-D57 PolarHBondContact O-N 3.47Å; D57-H61 CarbonylContact O-C 3.58Å; D57-G63 WeakPolarHBondContact OD1-CA 3.33Å; D57-G63 PolarHBondContact OD1-N 3.2Å; D57-V64 PolarHBondContact OD1-N 3.39Å; D57-S65 WeakPolarHBondContact OD1-CB 3.25Å; D57-S65 PolarHBondContact OD1-N 3.35Å; D57-S65 PolarHBondContact OD1-OG 2.86Å; D57-S65 VanDerWaalsContact OD2-CB 3.26Å; D57-S65 WeakPolarHBondContact OD2-CB 3.42Å; D57-S65 PolarHBondContact OD2-OG 3.48Å |
| 58 | A | 82.6 | Confident | 81.5 | Confident | 59 Ų | 59 | 50 Ų | 50 | 49% | 0.488 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -82.5 | -30.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S54 F55 L56 | S54-A58 WeakPolarHBondContact O-CB 3.35Å; S54-A58 PolarHBondContact O-N 2.89Å; F55-A58 PolarHBondContact O-N 2.95Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.01Å |
| 59 | I | 83.4 | Confident | 81.5 | Confident | 30 Ų | 30 | 49 Ų | 49 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -84.9 | -57.1 | -179.7 | -64.4 | -66.2 | 0 | 0 | 0 | 111.7 | F55 L56 Q96 | F55-I59 HydrophobicContact CD2-CG1 4.25Å; F55-I59 HydrophobicContact CE2-CD1 4.42Å; F55-I59 HydrophobicContact CE2-CG1 3.99Å; F55-I59 HydrophobicContact CZ-CG1 4.17Å; F55-I59 WeakPolarHBondContact O-CG1 3.27Å; F55-I59 PolarHBondContact O-N 3.49Å; L56-I59 PolarHBondContact O-N 3.2Å; I59-Q96 HydrophobicContact CG2-CB 3.91Å; I59-Q96 HydrophobicContact CG2-CG 4.43Å; I59-Q96 VanDerWaalsContact CG2-OE1 3.29Å |
| 60 | F | 78.1 | Confident | 81.5 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -67.6 | -168.6 | -66 | -73.8 | 0 | 0 | 0 | 112.3 | L56 V64 T89 L92 L129 | L56-F60 HydrophobicContact CD2-CD2 4.19Å; L56-F60 HydrophobicContact CD2-CE2 3.85Å; L56-F60 PolarHBondContact O-N 2.97Å; L56-F60 VanDerWaalsContact O-N 3.08Å; F60-V64 HydrophobicContact CB-CB 4.09Å; F60-V64 HydrophobicContact CB-CG1 4.05Å; F60-V64 HydrophobicContact CB-CG2 3.72Å; F60-V64 HydrophobicContact CD2-CG1 3.83Å; F60-V64 HydrophobicContact CG-CG1 4.17Å; F60-T89 HydrophobicContact CD2-CG2 4.47Å; F60-T89 HydrophobicContact CE2-CG2 3.88Å; F60-T89 WeakPolarHBondContact CE2-O 3.45Å; F60-T89 HydrophobicContact CZ-CG2 4.44Å; F60-T89 WeakPolarHBondContact CZ-O 3.27Å; F60-L92 HydrophobicContact CE1-CB 4.37Å; F60-L92 HydrophobicContact CZ-CB 3.81Å; F60-L129 HydrophobicContact CD1-CD1 4.23Å; F60-L129 HydrophobicContact CD1-CD2 3.71Å; F60-L129 HydrophobicContact CE1-CD1 3.72Å; F60-L129 HydrophobicContact CE1-CD2 4.07Å |
| 61 | H | 70.5 | Confident | 81.5 | Confident | 136 Ų | 136 | 45.4 Ų | 45.4 | 63% | 0.63 | 26% | 0.26 | S | S | * | . | trans | -173.3 | 157.6 | 168.7 | -89.8 | -15.4 | 0 | 0 | 0 | 108.4 | D57 G63 V64 | D57-H61 CarbonylContact O-C 3.58Å; H61-G63 PolarHBondContact O-N 3.49Å; H61-G63 VanDerWaalsContact O-N 3.1Å; H61-V64 PolarHBondContact O-N 3.16Å | ||
| 62 | P | 64.1 | Low | 81.3 | Confident | 120 Ų | 120 | 43.8 Ų | 43.8 | 78% | 0.779 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 115.2 | 178.4 | -22.8 | 33.8 | 0 | 0 | 0 | 111.9 | ||
| 63 | G | 71.6 | Confident | 81.1 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 125.9 | -18 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D57 H61 S65 N66 | D57-G63 WeakPolarHBondContact OD1-CA 3.33Å; D57-G63 PolarHBondContact OD1-N 3.2Å; H61-G63 PolarHBondContact O-N 3.49Å; H61-G63 VanDerWaalsContact O-N 3.1Å; G63-S65 PolarHBondContact O-N 2.85Å; G63-N66 WeakPolarHBondContact CA-ND2 3.4Å; G63-N66 WeakPolarHBondContact O-CB 3.37Å; G63-N66 PolarHBondContact O-N 2.85Å; G63-N66 PolarHBondContact O-ND2 3.4Å |
| 64 | V | 76.8 | Confident | 80.9 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -62.2 | -26.1 | 179.5 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | L56 D57 F60 H61 N66 L67 T89 F135 | L56-V64 HydrophobicContact CB-CG1 4.45Å; D57-V64 PolarHBondContact OD1-N 3.39Å; F60-V64 HydrophobicContact CB-CB 4.09Å; F60-V64 HydrophobicContact CB-CG1 4.05Å; F60-V64 HydrophobicContact CB-CG2 3.72Å; F60-V64 HydrophobicContact CD2-CG1 3.83Å; F60-V64 HydrophobicContact CG-CG1 4.17Å; H61-V64 PolarHBondContact O-N 3.16Å; V64-N66 PolarHBondContact O-N 2.89Å; V64-N66 VanDerWaalsContact O-N 3.1Å; V64-L67 HydrophobicContact CB-CD1 4.44Å; V64-L67 HydrophobicContact CG1-CD1 3.96Å; V64-L67 HydrophobicContact CG2-CD1 4.46Å; V64-L67 WeakPolarHBondContact O-CG 3.35Å; V64-L67 PolarHBondContact O-N 3.34Å; V64-T89 HydrophobicContact CG1-CG2 4.22Å; V64-F135 HydrophobicContact CG1-CD1 4Å; V64-F135 HydrophobicContact CG1-CE1 4.15Å; V64-F135 HydrophobicContact CG2-CD1 4.41Å |
| 65 | S | 77.5 | Confident | 80.7 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -60.7 | -13.4 | 170.2 | 68.5 | 0 | 0 | 0 | 0 | 115.3 | D57 G63 | D57-S65 WeakPolarHBondContact OD1-CB 3.25Å; D57-S65 PolarHBondContact OD1-N 3.35Å; D57-S65 PolarHBondContact OD1-OG 2.86Å; D57-S65 VanDerWaalsContact OD2-CB 3.26Å; D57-S65 WeakPolarHBondContact OD2-CB 3.42Å; D57-S65 PolarHBondContact OD2-OG 3.48Å; G63-S65 PolarHBondContact O-N 2.85Å |
| 66 | N | 81.7 | Confident | 80.3 | Confident | 129 Ų | 129 | 48.7 Ų | 48.7 | 69% | 0.69 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -98.4 | 0.2 | 179.6 | -53.8 | -87.5 | 0 | 0 | 0 | 113.7 | G63 V64 F68 | G63-N66 WeakPolarHBondContact CA-ND2 3.4Å; G63-N66 WeakPolarHBondContact O-CB 3.37Å; G63-N66 PolarHBondContact O-N 2.85Å; G63-N66 PolarHBondContact O-ND2 3.4Å; V64-N66 PolarHBondContact O-N 2.89Å; V64-N66 VanDerWaalsContact O-N 3.1Å; N66-F68 VanDerWaalsContact C-N 3.31Å |
| 67 | L | 82.5 | Confident | 80.1 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -72.1 | -26.6 | 178.9 | -63.8 | 179.1 | 0 | 0 | 0 | 113 | V64 F135 R137 | V64-L67 HydrophobicContact CB-CD1 4.44Å; V64-L67 HydrophobicContact CG1-CD1 3.96Å; V64-L67 HydrophobicContact CG2-CD1 4.46Å; V64-L67 WeakPolarHBondContact O-CG 3.35Å; V64-L67 PolarHBondContact O-N 3.34Å; L67-F135 HydrophobicContact CD1-CD1 3.64Å; L67-F135 HydrophobicContact CD1-CE1 3.99Å; L67-F135 VanDerWaalsContact CD1-O 3.23Å; L67-F135 WeakPolarHBondContact CD1-O 3.48Å; L67-R137 HydrophobicContact CB-CB 4.22Å; L67-R137 HydrophobicContact CD2-CB 4.42Å; L67-R137 VanDerWaalsContact O-CD 3.27Å; L67-R137 WeakPolarHBondContact O-CD 3.26Å; L67-R137 WeakPolarHBondContact O-CG 3.24Å; L67-R137 PolarHBondContact O-NH1 3.46Å |
| 68 | F | 84.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -129.3 | 147.4 | -178.2 | -60.8 | -79.8 | 0 | 0 | 0 | 109.5 | N66 V70 E82 L86 T89 R137 V140 T141 | N66-F68 VanDerWaalsContact C-N 3.31Å; F68-V70 VanDerWaalsContact C-N 3.29Å; F68-V70 PolarHBondContact O-N 3.39Å; F68-E82 WeakPolarHBondContact CA-OE2 3.4Å; F68-E82 HydrophobicContact CD1-CB 4.39Å; F68-E82 HydrophobicContact CD1-CG 4.33Å; F68-L86 HydrophobicContact CB-CB 4.12Å; F68-L86 HydrophobicContact CB-CD1 4.25Å; F68-L86 HydrophobicContact CD2-CB 4.41Å; F68-L86 HydrophobicContact CD2-CD1 4.33Å; F68-L86 HydrophobicContact CG-CB 4.14Å; F68-T89 WeakPolarHBondContact CE2-OG1 3.32Å; F68-R137 HydrophobicContact CE1-CG 4.16Å; F68-R137 HydrophobicContact CZ-CG 4.48Å; F68-V140 HydrophobicContact CZ-CB 4.02Å; F68-V140 HydrophobicContact CZ-CG1 4.01Å; F68-V140 HydrophobicContact CZ-CG2 4.48Å; F68-T141 HydrophobicContact CE1-CG2 3.86Å; F68-T141 HydrophobicContact CZ-CG2 4.44Å |
| 69 | D | 84.3 | Confident | 79.9 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | trans | -75.1 | 84.8 | 172.1 | -175 | 4.6 | 0 | 0 | 0 | 110.2 | E71 G72 V73 E82 | D69-E71 PolarHBondContact O-N 2.94Å; D69-E71 VanDerWaalsContact O-N 3.17Å; D69-E71 PolarHBondContact OD1-N 3.26Å; D69-E71 VanDerWaalsContact OD1-N 3.09Å; D69-G72 CarbonylContact O-C 3.59Å; D69-G72 WeakPolarHBondContact O-CA 3.44Å; D69-G72 PolarHBondContact O-N 3.43Å; D69-G72 VanDerWaalsContact O-N 3.08Å; D69-G72 PolarHBondContact OD1-N 2.99Å; D69-G72 WeakPolarHBondContact OD2-CA 3.42Å; D69-G72 PolarHBondContact OD2-N 3.35Å; D69-V73 WeakPolarHBondContact O-CG2 3.29Å; D69-V73 PolarHBondContact O-N 2.94Å; D69-E82 PolarHBondContact N-OE2 3.16Å | ||
| 70 | V | 84.9 | Confident | 79.9 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.4 | -31 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | K49 I52 F68 I74 L86 | K49-V70 HydrophobicContact CB-CG1 4.44Å; K49-V70 HydrophobicContact CG-CB 4.39Å; K49-V70 HydrophobicContact CG-CG1 4Å; I52-V70 HydrophobicContact CB-CG1 4.24Å; I52-V70 HydrophobicContact CG2-CG1 4.06Å; F68-V70 VanDerWaalsContact C-N 3.29Å; F68-V70 PolarHBondContact O-N 3.39Å; V70-I74 HydrophobicContact CG1-CD1 3.76Å; V70-I74 WeakPolarHBondContact O-CB 3.46Å; V70-I74 WeakPolarHBondContact O-CD1 3.47Å; V70-I74 WeakPolarHBondContact O-CG1 3.38Å; V70-I74 PolarHBondContact O-N 2.87Å; V70-L86 HydrophobicContact CB-CD2 4.35Å; V70-L86 HydrophobicContact CG1-CD2 4.3Å; V70-L86 HydrophobicContact CG2-CD1 4.07Å; V70-L86 HydrophobicContact CG2-CD2 4.05Å |
| 71 | E | 84.9 | Confident | 80.3 | Confident | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -80.8 | -36.3 | 177.4 | -165 | 170.8 | 154.4 | 0 | 0 | 112 | K49 D69 S75 | K49-E71 HydrophobicContact CD-CB 4.07Å; K49-E71 HydrophobicContact CD-CG 4.41Å; K49-E71 IonicContact NZ-OE2 3.99Å; K49-E71 PolarHBondContact NZ-OE2 2.99Å; D69-E71 PolarHBondContact O-N 2.94Å; D69-E71 VanDerWaalsContact O-N 3.17Å; D69-E71 PolarHBondContact OD1-N 3.26Å; D69-E71 VanDerWaalsContact OD1-N 3.09Å; E71-S75 VanDerWaalsContact O-CB 3.23Å; E71-S75 WeakPolarHBondContact O-CB 3.46Å; E71-S75 PolarHBondContact O-N 3.49Å; E71-S75 PolarHBondContact O-OG 2.74Å |
| 72 | G | 82.9 | Confident | 81 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D69 G76 K77 A78 | D69-G72 CarbonylContact O-C 3.59Å; D69-G72 WeakPolarHBondContact O-CA 3.44Å; D69-G72 PolarHBondContact O-N 3.43Å; D69-G72 VanDerWaalsContact O-N 3.08Å; D69-G72 PolarHBondContact OD1-N 2.99Å; D69-G72 WeakPolarHBondContact OD2-CA 3.42Å; D69-G72 PolarHBondContact OD2-N 3.35Å; G72-G76 PolarHBondContact O-N 3.49Å; G72-G76 VanDerWaalsContact O-N 3.15Å; G72-K77 PolarHBondContact O-N 3.07Å; G72-A78 PolarHBondContact O-N 2.92Å |
| 73 | V | 81.6 | Confident | 82.1 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -54.6 | 176.2 | 169.9 | 0 | 0 | 0 | 0 | 111 | L29 D69 S75 G76 A78 E82 L83 L86 | L29-V73 HydrophobicContact CD1-CG1 4.33Å; D69-V73 WeakPolarHBondContact O-CG2 3.29Å; D69-V73 PolarHBondContact O-N 2.94Å; V73-S75 PolarHBondContact O-N 3.23Å; V73-G76 PolarHBondContact O-N 3.32Å; V73-A78 HydrophobicContact CB-CB 4.3Å; V73-A78 HydrophobicContact CG2-CB 3.54Å; V73-E82 HydrophobicContact CG2-CB 4.5Å; V73-L83 HydrophobicContact CG1-CD1 3.59Å; V73-L86 HydrophobicContact CB-CD2 3.9Å; V73-L86 HydrophobicContact CG1-CD2 3.84Å; V73-L86 HydrophobicContact CG2-CB 4.42Å; V73-L86 HydrophobicContact CG2-CD2 3.99Å |
| 74 | I | 83 | Confident | 82.9 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -30.4 | -179.3 | -66.5 | 165.3 | 0 | 0 | 0 | 111.9 | K49 I52 V70 | K49-I74 HydrophobicContact CB-CD1 3.92Å; I52-I74 HydrophobicContact CD1-CD1 4.14Å; V70-I74 HydrophobicContact CG1-CD1 3.76Å; V70-I74 WeakPolarHBondContact O-CB 3.46Å; V70-I74 WeakPolarHBondContact O-CD1 3.47Å; V70-I74 WeakPolarHBondContact O-CG1 3.38Å; V70-I74 PolarHBondContact O-N 2.87Å |
| 75 | S | 80.3 | Confident | 83.5 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.2 | 176.9 | 68.7 | 0 | 0 | 0 | 0 | 115.2 | E71 V73 K77 | E71-S75 VanDerWaalsContact O-CB 3.23Å; E71-S75 WeakPolarHBondContact O-CB 3.46Å; E71-S75 PolarHBondContact O-N 3.49Å; E71-S75 PolarHBondContact O-OG 2.74Å; V73-S75 PolarHBondContact O-N 3.23Å; S75-K77 VanDerWaalsContact C-N 3.3Å; S75-K77 PolarHBondContact O-N 2.62Å; S75-K77 WeakPolarHBondContact OG-CE 3.32Å; S75-K77 PolarHBondContact OG-NZ 2.82Å |
| 76 | G | 79.6 | Confident | 84.1 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 73% | 0.732 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 27 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G72 V73 | G72-G76 PolarHBondContact O-N 3.49Å; G72-G76 VanDerWaalsContact O-N 3.15Å; V73-G76 PolarHBondContact O-N 3.32Å |
| 77 | K | 82.5 | Confident | 84.5 | Confident | 162 Ų | 162 | 41.5 Ų | 41.5 | 70% | 0.704 | 24% | 0.236 | S | C | * | . | trans | -108.8 | -19.7 | -179 | -60.5 | 179.7 | -163.3 | 124.9 | 0 | 114 | G72 S75 | G72-K77 PolarHBondContact O-N 3.07Å; S75-K77 VanDerWaalsContact C-N 3.3Å; S75-K77 PolarHBondContact O-N 2.62Å; S75-K77 WeakPolarHBondContact OG-CE 3.32Å; S75-K77 PolarHBondContact OG-NZ 2.82Å | ||
| 78 | A | 79.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 24% | 0.24 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -64.2 | 157 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G72 V73 E82 | G72-A78 PolarHBondContact O-N 2.92Å; V73-A78 HydrophobicContact CB-CB 4.3Å; V73-A78 HydrophobicContact CG2-CB 3.54Å; A78-E82 HydrophobicContact CB-CB 3.98Å |
| 79 | D | 83.9 | Confident | 85.1 | Confident | 94 Ų | 94 | 39.5 Ų | 39.5 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | trans | -79.3 | 169.3 | 170.5 | 70.5 | 26.1 | 0 | 0 | 0 | 111.8 | V81 E82 L83 | D79-V81 PolarHBondContact O-N 2.92Å; D79-V81 VanDerWaalsContact O-N 3.16Å; D79-V81 WeakPolarHBondContact OD1-CA 3.23Å; D79-V81 WeakPolarHBondContact OD1-CB 3.08Å; D79-V81 PolarHBondContact OD1-N 3.22Å; D79-E82 PolarHBondContact O-N 2.89Å; D79-E82 PolarHBondContact OD1-N 3.26Å; D79-L83 WeakPolarHBondContact O-CB 3.34Å; D79-L83 PolarHBondContact O-N 3.42Å | ||
| 80 | D | 83.7 | Confident | 85.4 | Confident | 72 Ų | 72 | 35.5 Ų | 35.5 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55 | -29.7 | 176.2 | -100.3 | 15.1 | 0 | 0 | 0 | 112.6 | K6 F84 | K6-D80 VanDerWaalsContact NZ-CG 3.29Å; K6-D80 IonicContact NZ-OD1 3.17Å; K6-D80 PolarHBondContact NZ-OD1 3.11Å; K6-D80 IonicContact NZ-OD2 3.47Å; K6-D80 PolarHBondContact NZ-OD2 3.19Å; D80-F84 WeakPolarHBondContact O-CB 3.19Å; D80-F84 VanDerWaalsContact O-CD2 3.28Å; D80-F84 WeakPolarHBondContact O-CD2 3.36Å; D80-F84 PolarHBondContact O-N 3.02Å |
| 81 | V | 85.2 | Confident | 85.7 | Confident | 29 Ų | 29 | 35.2 Ų | 35.2 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -78 | -37.5 | -176 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | D79 G85 T141 I144 L145 | D79-V81 PolarHBondContact O-N 2.92Å; D79-V81 VanDerWaalsContact O-N 3.16Å; D79-V81 WeakPolarHBondContact OD1-CA 3.23Å; D79-V81 WeakPolarHBondContact OD1-CB 3.08Å; D79-V81 PolarHBondContact OD1-N 3.22Å; V81-G85 WeakPolarHBondContact O-CA 3.37Å; V81-G85 PolarHBondContact O-N 3.01Å; V81-T141 HydrophobicContact CG1-CG2 3.8Å; V81-I144 HydrophobicContact CG1-CG2 4.34Å; V81-L145 HydrophobicContact CG1-CD1 4.42Å; V81-L145 HydrophobicContact CG2-CD2 4.09Å |
| 82 | E | 85.7 | Confident | 85.9 | Confident | 30 Ų | 30 | 30.2 Ų | 30.2 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.4 | -39.5 | 170.1 | -74.4 | -150.8 | -133.5 | 0 | 0 | 112.9 | F68 D69 V73 A78 D79 G85 L86 R137 | F68-E82 WeakPolarHBondContact CA-OE2 3.4Å; F68-E82 HydrophobicContact CD1-CB 4.39Å; F68-E82 HydrophobicContact CD1-CG 4.33Å; D69-E82 PolarHBondContact N-OE2 3.16Å; V73-E82 HydrophobicContact CG2-CB 4.5Å; A78-E82 HydrophobicContact CB-CB 3.98Å; D79-E82 PolarHBondContact O-N 2.89Å; D79-E82 PolarHBondContact OD1-N 3.26Å; E82-G85 PolarHBondContact O-N 3.3Å; E82-L86 WeakPolarHBondContact O-CB 3.32Å; E82-L86 PolarHBondContact O-N 3.4Å; E82-R137 VanDerWaalsContact CD-CZ 3.49Å; E82-R137 IonicContact OE1-CZ 2.71Å; E82-R137 IonicContact OE1-NH1 3.13Å; E82-R137 PolarHBondContact OE1-NH1 2.95Å; E82-R137 IonicContact OE1-NH2 3.08Å; E82-R137 PolarHBondContact OE1-NH2 2.96Å; E82-R137 IonicContact OE2-CZ 2.78Å; E82-R137 IonicContact OE2-NH1 3.94Å; E82-R137 PolarHBondContact OE2-NH1 2.92Å; E82-R137 IonicContact OE2-NH2 3.24Å |
| 83 | L | 88.2 | Confident | 86.1 | Confident | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -53.2 | 176.5 | 174.5 | 62.5 | 0 | 0 | 0 | 111.5 | I24 V73 D79 C87 | I24-L83 HydrophobicContact CB-CD1 4Å; I24-L83 HydrophobicContact CB-CG 4.38Å; I24-L83 HydrophobicContact CG2-CD1 3.91Å; V73-L83 HydrophobicContact CG1-CD1 3.59Å; D79-L83 WeakPolarHBondContact O-CB 3.34Å; D79-L83 PolarHBondContact O-N 3.42Å; L83-C87 WeakPolarHBondContact O-CB 3.47Å; L83-C87 PolarHBondContact O-N 3.27Å; L83-C87 VanDerWaalsContact O-N 3.07Å |
| 84 | F | 88.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -76.1 | -26.9 | 179.7 | -77.1 | -100 | 0 | 0 | 0 | 112.3 | M1 K6 L9 L10 I24 D80 C87 L88 I144 | M1-F84 HydrophobicContact CE-CB 3.76Å; M1-F84 HydrophobicContact CE-CD1 3.56Å; M1-F84 HydrophobicContact CE-CD2 4.5Å; M1-F84 HydrophobicContact CE-CE1 4.32Å; M1-F84 HydrophobicContact CE-CG 3.67Å; M1-F84 HydrophobicContact SD-CB 3.75Å; M1-F84 HydrophobicContact SD-CD1 4.11Å; M1-F84 HydrophobicContact SD-CD2 3.97Å; M1-F84 HydrophobicContact SD-CG 3.65Å; K6-F84 HydrophobicContact CD-CE2 4.13Å; K6-F84 HydrophobicContact CD-CZ 3.99Å; K6-F84 HydrophobicContact CG-CE1 3.83Å; K6-F84 HydrophobicContact CG-CE2 4.2Å; K6-F84 HydrophobicContact CG-CZ 3.59Å; L9-F84 HydrophobicContact CB-CD1 4.45Å; L9-F84 HydrophobicContact CB-CE1 4.48Å; L9-F84 HydrophobicContact CD2-CD1 3.67Å; L9-F84 HydrophobicContact CD2-CE1 4.23Å; L10-F84 HydrophobicContact CD1-CZ 4.22Å; L10-F84 HydrophobicContact CD2-CE1 4.29Å; L10-F84 HydrophobicContact CD2-CZ 4.11Å; L10-F84 HydrophobicContact CG-CE1 4.07Å; L10-F84 HydrophobicContact CG-CZ 4.1Å; I24-F84 HydrophobicContact CD1-CD1 3.77Å; I24-F84 HydrophobicContact CD1-CD2 4.4Å; I24-F84 HydrophobicContact CD1-CE1 3.41Å; I24-F84 VanDerWaalsContact CD1-CE1 3.41Å; I24-F84 HydrophobicContact CD1-CE2 4.08Å; I24-F84 HydrophobicContact CD1-CG 4.26Å; I24-F84 HydrophobicContact CD1-CZ 3.56Å; D80-F84 WeakPolarHBondContact O-CB 3.19Å; D80-F84 VanDerWaalsContact O-CD2 3.28Å; D80-F84 WeakPolarHBondContact O-CD2 3.36Å; D80-F84 PolarHBondContact O-N 3.02Å; F84-C87 PolarHBondContact O-N 3.03Å; F84-L88 VanDerWaalsContact O-CB 3.3Å; F84-L88 WeakPolarHBondContact O-CB 3.44Å; F84-L88 PolarHBondContact O-N 3.29Å; F84-I144 HydrophobicContact CB-CD1 4.31Å |
| 85 | G | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -50.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V81 E82 C87 L88 T89 | V81-G85 WeakPolarHBondContact O-CA 3.37Å; V81-G85 PolarHBondContact O-N 3.01Å; E82-G85 PolarHBondContact O-N 3.3Å; G85-C87 VanDerWaalsContact C-N 3.34Å; G85-C87 PolarHBondContact O-N 2.88Å; G85-L88 PolarHBondContact O-N 3.33Å; G85-T89 WeakPolarHBondContact O-CB 3.33Å; G85-T89 PolarHBondContact O-N 2.81Å; G85-T89 PolarHBondContact O-OG1 2.93Å; G85-T89 VanDerWaalsContact O-OG1 3.11Å |
| 86 | L | 89.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.4 | -178.9 | 61.7 | 0 | 0 | 0 | 111.4 | L29 I52 L56 F68 V70 V73 E82 T89 V90 | L29-L86 HydrophobicContact CD1-CD2 4.15Å; L29-L86 HydrophobicContact CD1-CG 4.46Å; I52-L86 HydrophobicContact CG2-CD1 4.33Å; L56-L86 HydrophobicContact CD1-CD1 3.64Å; F68-L86 HydrophobicContact CB-CB 4.12Å; F68-L86 HydrophobicContact CB-CD1 4.25Å; F68-L86 HydrophobicContact CD2-CB 4.41Å; F68-L86 HydrophobicContact CD2-CD1 4.33Å; F68-L86 HydrophobicContact CG-CB 4.14Å; V70-L86 HydrophobicContact CB-CD2 4.35Å; V70-L86 HydrophobicContact CG1-CD2 4.3Å; V70-L86 HydrophobicContact CG2-CD1 4.07Å; V70-L86 HydrophobicContact CG2-CD2 4.05Å; V73-L86 HydrophobicContact CB-CD2 3.9Å; V73-L86 HydrophobicContact CG1-CD2 3.84Å; V73-L86 HydrophobicContact CG2-CB 4.42Å; V73-L86 HydrophobicContact CG2-CD2 3.99Å; E82-L86 WeakPolarHBondContact O-CB 3.32Å; E82-L86 PolarHBondContact O-N 3.4Å; L86-T89 PolarHBondContact O-N 2.99Å; L86-V90 HydrophobicContact CD1-CG2 4.49Å; L86-V90 WeakPolarHBondContact O-CG2 3.11Å; L86-V90 PolarHBondContact O-N 3.46Å |
| 87 | C | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 178.7 | -165.6 | 0 | 0 | 0 | 0 | 112.7 | L9 I13 I24 L29 L83 F84 G85 T89 V90 L91 | L9-C87 HydrophobicContact CD2-CB 4.39Å; I13-C87 WeakPolarHBondContact CD1-SG 3.42Å; I24-C87 HydrophobicContact CD1-CB 3.91Å; I24-C87 HydrophobicContact CG2-CB 4.18Å; L29-C87 HydrophobicContact CD2-CB 3.97Å; L83-C87 WeakPolarHBondContact O-CB 3.47Å; L83-C87 PolarHBondContact O-N 3.27Å; L83-C87 VanDerWaalsContact O-N 3.07Å; F84-C87 PolarHBondContact O-N 3.03Å; G85-C87 VanDerWaalsContact C-N 3.34Å; G85-C87 PolarHBondContact O-N 2.88Å; C87-T89 VanDerWaalsContact C-N 3.31Å; C87-T89 PolarHBondContact O-N 3.37Å; C87-V90 PolarHBondContact O-N 2.79Å; C87-L91 WeakPolarHBondContact O-CG 3.48Å; C87-L91 PolarHBondContact O-N 3.01Å |
| 88 | L | 89.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 174.5 | -178.8 | 59 | 0 | 0 | 0 | 111.2 | L9 F84 G85 L91 L92 L121 V140 I144 | L9-L88 HydrophobicContact CD1-CD1 4.4Å; F84-L88 VanDerWaalsContact O-CB 3.3Å; F84-L88 WeakPolarHBondContact O-CB 3.44Å; F84-L88 PolarHBondContact O-N 3.29Å; G85-L88 PolarHBondContact O-N 3.33Å; L88-L91 PolarHBondContact O-N 3.04Å; L88-L92 HydrophobicContact CD1-CD1 4.43Å; L88-L92 HydrophobicContact CD1-CG 4.37Å; L88-L92 HydrophobicContact CG-CD1 4.08Å; L88-L92 WeakPolarHBondContact O-CB 3.42Å; L88-L92 VanDerWaalsContact O-CG 3.23Å; L88-L92 WeakPolarHBondContact O-CG 3.25Å; L88-L92 PolarHBondContact O-N 2.86Å; L88-L121 HydrophobicContact CD1-CB 4.22Å; L88-L121 HydrophobicContact CD2-CB 4.45Å; L88-L121 HydrophobicContact CD2-CD2 3.86Å; L88-V140 HydrophobicContact CB-CG1 4.37Å; L88-V140 HydrophobicContact CD2-CG1 3.98Å; L88-V140 HydrophobicContact CG-CG1 4.37Å; L88-I144 HydrophobicContact CD2-CD1 4.19Å; L88-I144 HydrophobicContact CD2-CG1 4.35Å |
| 89 | T | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.8 | -38.5 | 174.4 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | L56 F60 V64 F68 G85 L86 C87 G93 F135 | L56-T89 HydrophobicContact CD1-CG2 4.18Å; L56-T89 HydrophobicContact CD2-CG2 3.82Å; F60-T89 HydrophobicContact CD2-CG2 4.47Å; F60-T89 HydrophobicContact CE2-CG2 3.88Å; F60-T89 WeakPolarHBondContact CE2-O 3.45Å; F60-T89 HydrophobicContact CZ-CG2 4.44Å; F60-T89 WeakPolarHBondContact CZ-O 3.27Å; V64-T89 HydrophobicContact CG1-CG2 4.22Å; F68-T89 WeakPolarHBondContact CE2-OG1 3.32Å; G85-T89 WeakPolarHBondContact O-CB 3.33Å; G85-T89 PolarHBondContact O-N 2.81Å; G85-T89 PolarHBondContact O-OG1 2.93Å; G85-T89 VanDerWaalsContact O-OG1 3.11Å; L86-T89 PolarHBondContact O-N 2.99Å; C87-T89 VanDerWaalsContact C-N 3.31Å; C87-T89 PolarHBondContact O-N 3.37Å; T89-G93 PolarHBondContact O-N 3.3Å; T89-F135 HydrophobicContact CG2-CE1 3.74Å; T89-F135 HydrophobicContact CG2-CZ 4.11Å |
| 90 | V | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 172.4 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | L29 L32 I33 I52 F55 L56 L86 C87 G93 C94 | L29-V90 HydrophobicContact CD2-CB 4.28Å; L29-V90 HydrophobicContact CD2-CG1 4.43Å; L29-V90 HydrophobicContact CD2-CG2 4.29Å; L32-V90 HydrophobicContact CB-CG1 4.35Å; I33-V90 HydrophobicContact CD1-CG1 4.37Å; I33-V90 HydrophobicContact CG1-CG1 3.96Å; I52-V90 HydrophobicContact CG2-CG2 4.2Å; F55-V90 HydrophobicContact CE1-CG1 4.27Å; L56-V90 HydrophobicContact CD1-CG2 4.39Å; L56-V90 HydrophobicContact CD2-CG2 4.06Å; L56-V90 HydrophobicContact CG-CG2 4.47Å; L86-V90 HydrophobicContact CD1-CG2 4.49Å; L86-V90 WeakPolarHBondContact O-CG2 3.11Å; L86-V90 PolarHBondContact O-N 3.46Å; C87-V90 PolarHBondContact O-N 2.79Å; V90-G93 WeakPolarHBondContact O-CA 3.4Å; V90-G93 PolarHBondContact O-N 3.33Å; V90-G93 VanDerWaalsContact O-N 3.12Å; V90-C94 PolarHBondContact O-N 3.32Å; V90-C94 PolarHBondContact O-SG 3.23Å |
| 91 | L | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 176.6 | -73.6 | 165 | 0 | 0 | 0 | 112.4 | L9 W12 I13 I16 L32 C87 L88 G93 C94 L95 F103 | L9-L91 HydrophobicContact CD1-CD1 4.01Å; L9-L91 HydrophobicContact CD2-CD1 4.28Å; L9-L91 HydrophobicContact CG-CD1 4.16Å; W12-L91 HydrophobicContact CE3-CD1 4.04Å; W12-L91 HydrophobicContact CH2-CB 4.23Å; W12-L91 HydrophobicContact CH2-CD1 4.47Å; W12-L91 HydrophobicContact CH2-CD2 4.45Å; W12-L91 HydrophobicContact CZ3-CB 4.27Å; W12-L91 HydrophobicContact CZ3-CD1 3.82Å; W12-L91 HydrophobicContact CZ3-CG 4.44Å; I13-L91 HydrophobicContact CD1-CD1 4.17Å; I13-L91 HydrophobicContact CG1-CD1 3.96Å; I16-L91 HydrophobicContact CD1-CD2 3.81Å; L32-L91 HydrophobicContact CD1-CD2 3.98Å; L32-L91 HydrophobicContact CD1-CG 4.31Å; L32-L91 HydrophobicContact CD2-CD2 4Å; C87-L91 WeakPolarHBondContact O-CG 3.48Å; C87-L91 PolarHBondContact O-N 3.01Å; L88-L91 PolarHBondContact O-N 3.04Å; L91-G93 PolarHBondContact O-N 2.88Å; L91-C94 WeakPolarHBondContact O-CB 3.42Å; L91-C94 PolarHBondContact O-N 3.37Å; L91-C94 VanDerWaalsContact O-N 3.14Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 3.1Å; L91-F103 HydrophobicContact CD2-CD1 4.37Å |
| 92 | L | 88.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -35.3 | 171.5 | -74.6 | 165.9 | 0 | 0 | 0 | 111.7 | F60 L88 L95 Q96 I122 P125 M126 F135 | F60-L92 HydrophobicContact CE1-CB 4.37Å; F60-L92 HydrophobicContact CZ-CB 3.81Å; L88-L92 HydrophobicContact CD1-CD1 4.43Å; L88-L92 HydrophobicContact CD1-CG 4.37Å; L88-L92 HydrophobicContact CG-CD1 4.08Å; L88-L92 WeakPolarHBondContact O-CB 3.42Å; L88-L92 VanDerWaalsContact O-CG 3.23Å; L88-L92 WeakPolarHBondContact O-CG 3.25Å; L88-L92 PolarHBondContact O-N 2.86Å; L92-L95 PolarHBondContact O-N 3.42Å; L92-Q96 PolarHBondContact O-N 3.14Å; L92-I122 HydrophobicContact CD2-CG2 4.31Å; L92-P125 HydrophobicContact CD1-CB 3.5Å; L92-P125 HydrophobicContact CD1-CG 4.01Å; L92-P125 HydrophobicContact CD2-CB 4Å; L92-P125 HydrophobicContact CG-CB 4.43Å; L92-M126 HydrophobicContact CD2-CG 3.84Å; L92-M126 HydrophobicContact CD2-SD 3.99Å; L92-F135 HydrophobicContact CD1-CE2 4.26Å; L92-F135 HydrophobicContact CD1-CZ 4.22Å |
| 93 | G | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T89 V90 L91 L95 Q96 C97 | T89-G93 PolarHBondContact O-N 3.3Å; V90-G93 WeakPolarHBondContact O-CA 3.4Å; V90-G93 PolarHBondContact O-N 3.33Å; V90-G93 VanDerWaalsContact O-N 3.12Å; L91-G93 PolarHBondContact O-N 2.88Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.1Å; G93-Q96 PolarHBondContact O-N 2.96Å; G93-Q96 VanDerWaalsContact O-N 3.07Å; G93-C97 PolarHBondContact O-N 3.49Å; G93-C97 PolarHBondContact O-SG 2.89Å |
| 94 | C | 89.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -35.6 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | V90 L91 Q96 C97 F103 | V90-C94 PolarHBondContact O-N 3.32Å; V90-C94 PolarHBondContact O-SG 3.23Å; L91-C94 WeakPolarHBondContact O-CB 3.42Å; L91-C94 PolarHBondContact O-N 3.37Å; L91-C94 VanDerWaalsContact O-N 3.14Å; C94-Q96 PolarHBondContact O-N 2.72Å; C94-C97 VanDerWaalsContact O-CB 3.28Å; C94-C97 WeakPolarHBondContact O-CB 3.49Å; C94-C97 PolarHBondContact O-N 2.58Å; C94-F103 HydrophobicContact CB-CD1 3.67Å; C94-F103 HydrophobicContact CB-CD2 4.1Å; C94-F103 HydrophobicContact CB-CE1 3.46Å; C94-F103 VanDerWaalsContact CB-CE1 3.46Å; C94-F103 HydrophobicContact CB-CE2 3.93Å; C94-F103 HydrophobicContact CB-CG 4Å; C94-F103 HydrophobicContact CB-CZ 3.6Å |
| 95 | L | 88.8 | Confident | 87.6 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -16.2 | 174.5 | -71.6 | 171.2 | 0 | 0 | 0 | 114.3 | W12 L91 L92 G93 K100 F103 M104 I122 | W12-L95 HydrophobicContact CH2-CD1 4.07Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 3.1Å; L92-L95 PolarHBondContact O-N 3.42Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.1Å; L95-K100 WeakPolarHBondContact O-CB 3.33Å; L95-F103 HydrophobicContact CD2-CB 3.99Å; L95-M104 HydrophobicContact CD2-CE 4.03Å; L95-M104 HydrophobicContact CD2-CG 3.63Å; L95-M104 HydrophobicContact CD2-SD 3.82Å; L95-I122 HydrophobicContact CD1-CD1 3.89Å; L95-I122 HydrophobicContact CD1-CG1 4.02Å; L95-I122 HydrophobicContact CD1-CG2 3.98Å |
| 96 | Q | 84.5 | Confident | 87.7 | Confident | 77 Ų | 77 | 33 Ų | 33 | 36% | 0.36 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -8 | 169.3 | -64.5 | -173.3 | 9.8 | 0 | 0 | 113.1 | I59 L92 G93 C94 | I59-Q96 HydrophobicContact CG2-CB 3.91Å; I59-Q96 HydrophobicContact CG2-CG 4.43Å; I59-Q96 VanDerWaalsContact CG2-OE1 3.29Å; L92-Q96 PolarHBondContact O-N 3.14Å; G93-Q96 PolarHBondContact O-N 2.96Å; G93-Q96 VanDerWaalsContact O-N 3.07Å; C94-Q96 PolarHBondContact O-N 2.72Å |
| 97 | C | 83.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -83.3 | 160.6 | -179.3 | -60.8 | 0 | 0 | 0 | 0 | 112 | S36 A38 G93 C94 S99 K100 | S36-C97 WeakPolarHBondContact O-CB 3.26Å; A38-C97 HydrophobicContact CB-CB 4.49Å; G93-C97 PolarHBondContact O-N 3.49Å; G93-C97 PolarHBondContact O-SG 2.89Å; C94-C97 VanDerWaalsContact O-CB 3.28Å; C94-C97 WeakPolarHBondContact O-CB 3.49Å; C94-C97 PolarHBondContact O-N 2.58Å; C97-S99 PolarHBondContact O-N 3.39Å; C97-K100 WeakPolarHBondContact O-CB 3.23Å; C97-K100 PolarHBondContact O-N 3.25Å |
| 98 | P | 77.2 | Confident | 87.6 | Confident | 126 Ų | 126 | 38.5 Ų | 38.5 | 82% | 0.818 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.4 | -179.6 | -26 | 35.9 | 0 | 0 | 0 | 114.3 | K100 | P98-K100 VanDerWaalsContact C-N 3.29Å; P98-K100 PolarHBondContact O-N 2.89Å |
| 99 | S | 83 | Confident | 87.6 | Confident | 34 Ų | 34 | 44.6 Ų | 44.6 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 12.3 | 176.8 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | L35 S36 C97 Q101 S102 | L35-S99 PolarHBondContact O-OG 3.28Å; S36-S99 WeakPolarHBondContact CA-OG 3.29Å; S36-S99 PolarHBondContact O-OG 2.86Å; C97-S99 PolarHBondContact O-N 3.39Å; S99-Q101 PolarHBondContact O-N 3.27Å; S99-S102 PolarHBondContact O-N 2.95Å; S99-S102 PolarHBondContact O-OG 2.73Å |
| 100 | K | 87.5 | Confident | 87.6 | Confident | 114 Ų | 114 | 45.5 Ų | 45.5 | 50% | 0.496 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.8 | -30.2 | -179.6 | 66.5 | -179.7 | -175.4 | 174.8 | 0 | 115.7 | L95 C97 P98 F103 M104 | L95-K100 WeakPolarHBondContact O-CB 3.33Å; C97-K100 WeakPolarHBondContact O-CB 3.23Å; C97-K100 PolarHBondContact O-N 3.25Å; P98-K100 VanDerWaalsContact C-N 3.29Å; P98-K100 PolarHBondContact O-N 2.89Å; K100-F103 PolarHBondContact O-N 2.82Å; K100-F103 VanDerWaalsContact O-N 3.13Å; K100-M104 VanDerWaalsContact O-CG 3.29Å; K100-M104 WeakPolarHBondContact O-CG 3.27Å; K100-M104 PolarHBondContact O-N 3.44Å |
| 101 | Q | 85.9 | Confident | 87.6 | Confident | 109 Ų | 109 | 48.2 Ų | 48.2 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.7 | -158.7 | 65 | 40.8 | 0 | 0 | 111.8 | S99 F103 M104 D105 | S99-Q101 PolarHBondContact O-N 3.27Å; Q101-F103 PolarHBondContact O-N 3.01Å; Q101-M104 PolarHBondContact O-N 2.87Å; Q101-D105 PolarHBondContact NE2-OD1 3.48Å; Q101-D105 VanDerWaalsContact O-CG 3.26Å; Q101-D105 PolarHBondContact O-N 3.18Å |
| 102 | S | 85.8 | Confident | 87.4 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.9 | -3.8 | 176.4 | 69.4 | 0 | 0 | 0 | 0 | 114.3 | S99 P106 | S99-S102 PolarHBondContact O-N 2.95Å; S99-S102 PolarHBondContact O-OG 2.73Å; S102-P106 WeakPolarHBondContact O-CD 3.37Å; S102-P106 WeakPolarHBondContact O-CG 3.41Å |
| 103 | F | 90 | Very high | 87.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -102.7 | -22.3 | 167.9 | -64.2 | -96.8 | 0 | 0 | 0 | 111.8 | W12 I16 L32 L35 L91 C94 L95 K100 Q101 | W12-F103 WeakPolarHBondContact CZ2-O 3.37Å; W12-F103 PolarHBondContact NE1-O 3.36Å; I16-F103 HydrophobicContact CD1-CD1 3.95Å; I16-F103 HydrophobicContact CG1-CD1 4.38Å; I16-F103 HydrophobicContact CG2-CD1 3.81Å; I16-F103 HydrophobicContact CG2-CE1 3.78Å; L32-F103 HydrophobicContact CD2-CE1 4.09Å; L32-F103 WeakPolarHBondContact O-CZ 3.39Å; L35-F103 HydrophobicContact CB-CE1 4.49Å; L35-F103 HydrophobicContact CB-CE2 4.41Å; L35-F103 HydrophobicContact CB-CZ 3.74Å; L91-F103 HydrophobicContact CD2-CD1 4.37Å; C94-F103 HydrophobicContact CB-CD1 3.67Å; C94-F103 HydrophobicContact CB-CD2 4.1Å; C94-F103 HydrophobicContact CB-CE1 3.46Å; C94-F103 VanDerWaalsContact CB-CE1 3.46Å; C94-F103 HydrophobicContact CB-CE2 3.93Å; C94-F103 HydrophobicContact CB-CG 4Å; C94-F103 HydrophobicContact CB-CZ 3.6Å; L95-F103 HydrophobicContact CD2-CB 3.99Å; K100-F103 PolarHBondContact O-N 2.82Å; K100-F103 VanDerWaalsContact O-N 3.13Å; Q101-F103 PolarHBondContact O-N 3.01Å |
| 104 | M | 89.4 | Confident | 87.4 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 32% | 0.32 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87 | -42.4 | 178.9 | -67.4 | -93.4 | 61.6 | 0 | 0 | 112.5 | L95 K100 Q101 A107 L108 I122 | L95-M104 HydrophobicContact CD2-CE 4.03Å; L95-M104 HydrophobicContact CD2-CG 3.63Å; L95-M104 HydrophobicContact CD2-SD 3.82Å; K100-M104 VanDerWaalsContact O-CG 3.29Å; K100-M104 WeakPolarHBondContact O-CG 3.27Å; K100-M104 PolarHBondContact O-N 3.44Å; Q101-M104 PolarHBondContact O-N 2.87Å; M104-A107 HydrophobicContact CE-CB 4.38Å; M104-A107 WeakPolarHBondContact O-CA 3.48Å; M104-A107 VanDerWaalsContact O-CB 3.23Å; M104-A107 WeakPolarHBondContact O-CB 3.46Å; M104-A107 PolarHBondContact O-N 3.1Å; M104-L108 PolarHBondContact O-N 3.21Å; M104-I122 HydrophobicContact CE-CD1 4.02Å |
| 105 | D | 89.2 | Confident | 87.4 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | -179.9 | -50.3 | -32.2 | 0 | 0 | 0 | 111.3 | Q101 A107 L108 | Q101-D105 PolarHBondContact NE2-OD1 3.48Å; Q101-D105 VanDerWaalsContact O-CG 3.26Å; Q101-D105 PolarHBondContact O-N 3.18Å; D105-A107 PolarHBondContact O-N 3.16Å; D105-L108 WeakPolarHBondContact O-CB 3.45Å; D105-L108 PolarHBondContact O-N 2.88Å |
| 106 | P | 90.2 | Very high | 87.3 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.6 | -9.7 | 173.9 | -24.1 | 37.1 | 0 | 0 | 0 | 115.6 | L15 I16 S102 | L15-P106 HydrophobicContact CB-CB 3.76Å; L15-P106 WeakPolarHBondContact CD1-O 3.3Å; I16-P106 HydrophobicContact CG1-CB 3.86Å; I16-P106 HydrophobicContact CG1-CG 4.06Å; S102-P106 WeakPolarHBondContact O-CD 3.37Å; S102-P106 WeakPolarHBondContact O-CG 3.41Å |
| 107 | A | 88.6 | Confident | 87.3 | Confident | 8 Ų | 8 | 61 Ų | 61 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.2 | -31.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M104 D105 L110 Q115 I118 | M104-A107 HydrophobicContact CE-CB 4.38Å; M104-A107 WeakPolarHBondContact O-CA 3.48Å; M104-A107 VanDerWaalsContact O-CB 3.23Å; M104-A107 WeakPolarHBondContact O-CB 3.46Å; M104-A107 PolarHBondContact O-N 3.1Å; D105-A107 PolarHBondContact O-N 3.16Å; A107-L110 PolarHBondContact O-N 3.1Å; A107-Q115 WeakPolarHBondContact O-CG 3.44Å; A107-I118 HydrophobicContact CB-CG2 4.38Å |
| 108 | L | 88.3 | Confident | 87.6 | Confident | 108 Ų | 108 | 61 Ų | 61 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -77.7 | -21 | -175.6 | -60.4 | 174.7 | 0 | 0 | 0 | 112.9 | M104 D105 L110 Q115 | M104-L108 PolarHBondContact O-N 3.21Å; D105-L108 WeakPolarHBondContact O-CB 3.45Å; D105-L108 PolarHBondContact O-N 2.88Å; L108-L110 PolarHBondContact O-N 3.02Å; L108-Q115 PolarHBondContact O-NE2 2.94Å |
| 109 | D | 89.9 | Confident | 88.1 | Confident | 131 Ų | 131 | 60 Ų | 60 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.8 | 174.6 | -66.2 | -34.9 | 0 | 0 | 0 | 113.9 | L15 | L15-D109 HydrophobicContact CD1-CB 4.26Š|
| 110 | L | 91 | Very high | 88 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -86.8 | 165.9 | 178.7 | -64.5 | 170 | 0 | 0 | 0 | 112.1 | K11 W12 L15 A107 L108 M114 Q115 I118 | K11-L110 HydrophobicContact CB-CD2 3.84Å; W12-L110 HydrophobicContact CB-CD1 3.92Å; W12-L110 HydrophobicContact CG-CD1 4.48Å; L15-L110 HydrophobicContact CD1-CD2 3.55Å; L15-L110 HydrophobicContact CD1-CG 3.89Å; A107-L110 PolarHBondContact O-N 3.1Å; L108-L110 PolarHBondContact O-N 3.02Å; L110-M114 HydrophobicContact CB-CB 4.02Å; L110-Q115 HydrophobicContact CB-CG 4.35Å; L110-Q115 PolarHBondContact O-NE2 3.27Å; L110-I118 HydrophobicContact CD1-CD1 3.28Å |
| 111 | S | 90.1 | Very high | 87.9 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | trans | -64.4 | 152.5 | 174.4 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | D113 M114 Q115 | S111-D113 PolarHBondContact O-N 2.88Å; S111-D113 VanDerWaalsContact O-N 3.12Å; S111-M114 CarbonylContact O-C 3.59Å; S111-M114 WeakPolarHBondContact O-CA 3.4Å; S111-M114 WeakPolarHBondContact O-CB 3.21Å; S111-M114 PolarHBondContact O-N 3.42Å; S111-M114 WeakPolarHBondContact OG-CG 3.42Å; S111-Q115 WeakPolarHBondContact O-CG 3.38Å; S111-Q115 PolarHBondContact O-N 3.35Å | ||
| 112 | L | 86.6 | Confident | 87.9 | Confident | 124 Ų | 124 | 52 Ų | 52 | 65% | 0.649 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -54.3 | -36 | -175 | -174.7 | 62.5 | 0 | 0 | 0 | 113.4 | Q115 T116 | L112-Q115 PolarHBondContact O-N 2.85Å; L112-T116 WeakPolarHBondContact O-CB 3.28Å; L112-T116 PolarHBondContact O-N 2.99Å; L112-T116 PolarHBondContact O-OG1 3.25Å |
| 113 | D | 85.6 | Confident | 87.8 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 56% | 0.556 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 175.7 | -47.7 | -56.5 | 0 | 0 | 0 | 111.9 | F4 S111 T116 A117 | F4-D113 HydrophobicContact CE1-CB 4.26Å; F4-D113 HydrophobicContact CE2-CB 4.5Å; F4-D113 HydrophobicContact CZ-CB 3.61Å; S111-D113 PolarHBondContact O-N 2.88Å; S111-D113 VanDerWaalsContact O-N 3.12Å; D113-T116 PolarHBondContact O-N 2.99Å; D113-A117 WeakPolarHBondContact O-CB 3.42Å; D113-A117 PolarHBondContact O-N 3.46Å |
| 114 | M | 90.9 | Very high | 87 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.069 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.8 | -39.4 | 178.3 | -64.9 | -176.8 | 177.4 | 0 | 0 | 111.1 | F4 K11 L110 S111 T116 A117 I118 | F4-M114 HydrophobicContact CE1-CG 4.46Å; F4-M114 HydrophobicContact CE2-CE 3.79Å; F4-M114 HydrophobicContact CE2-CG 4.03Å; F4-M114 HydrophobicContact CZ-CB 4.5Å; F4-M114 HydrophobicContact CZ-CE 4.33Å; F4-M114 HydrophobicContact CZ-CG 3.61Å; K11-M114 HydrophobicContact CD-CE 4.01Å; K11-M114 HydrophobicContact CD-SD 3.64Å; L110-M114 HydrophobicContact CB-CB 4.02Å; S111-M114 CarbonylContact O-C 3.59Å; S111-M114 WeakPolarHBondContact O-CA 3.4Å; S111-M114 WeakPolarHBondContact O-CB 3.21Å; S111-M114 PolarHBondContact O-N 3.42Å; S111-M114 WeakPolarHBondContact OG-CG 3.42Å; M114-T116 VanDerWaalsContact C-N 3.3Å; M114-T116 PolarHBondContact O-N 3.46Å; M114-A117 PolarHBondContact O-N 2.84Å; M114-I118 WeakPolarHBondContact O-CB 3.4Å; M114-I118 WeakPolarHBondContact O-CD1 3.37Å; M114-I118 VanDerWaalsContact O-CG1 3.27Å; M114-I118 WeakPolarHBondContact O-CG1 3.44Å; M114-I118 PolarHBondContact O-N 3.29Å |
| 115 | Q | 90.2 | Very high | 86.3 | Confident | 59 Ų | 59 | 50.5 Ų | 50.5 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.2 | -46 | 169.5 | -66.5 | -174 | 29.4 | 0 | 0 | 110.9 | A107 L108 L110 S111 L112 I118 F119 | A107-Q115 WeakPolarHBondContact O-CG 3.44Å; L108-Q115 PolarHBondContact O-NE2 2.94Å; L110-Q115 HydrophobicContact CB-CG 4.35Å; L110-Q115 PolarHBondContact O-NE2 3.27Å; S111-Q115 WeakPolarHBondContact O-CG 3.38Å; S111-Q115 PolarHBondContact O-N 3.35Å; L112-Q115 PolarHBondContact O-N 2.85Å; Q115-I118 PolarHBondContact O-N 3.25Å; Q115-F119 VanDerWaalsContact O-CB 3.26Å; Q115-F119 WeakPolarHBondContact O-CB 3.49Å; Q115-F119 PolarHBondContact O-N 2.7Å |
| 116 | T | 85.7 | Confident | 85.7 | Confident | 54 Ų | 54 | 50 Ų | 50 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | -179.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | L112 D113 M114 F119 H120 | L112-T116 WeakPolarHBondContact O-CB 3.28Å; L112-T116 PolarHBondContact O-N 2.99Å; L112-T116 PolarHBondContact O-OG1 3.25Å; D113-T116 PolarHBondContact O-N 2.99Å; M114-T116 VanDerWaalsContact C-N 3.3Å; M114-T116 PolarHBondContact O-N 3.46Å; T116-F119 PolarHBondContact O-N 3.03Å; T116-H120 PolarHBondContact O-CD2 2.83Å; T116-H120 VanDerWaalsContact O-CD2 3.3Å; T116-H120 PolarHBondContact O-N 3.39Å |
| 117 | A | 85.1 | Confident | 85 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F4 M5 D113 M114 H120 L121 | F4-A117 HydrophobicContact CD1-CB 4.33Å; F4-A117 HydrophobicContact CE1-CB 3.89Å; M5-A117 HydrophobicContact CE-CB 4.35Å; M5-A117 HydrophobicContact SD-CB 3.58Å; M5-A117 VanDerWaalsContact SD-CB 3.58Å; D113-A117 WeakPolarHBondContact O-CB 3.42Å; D113-A117 PolarHBondContact O-N 3.46Å; M114-A117 PolarHBondContact O-N 2.84Å; A117-H120 PolarHBondContact O-N 2.85Å; A117-L121 WeakPolarHBondContact O-CG 3.5Å; A117-L121 PolarHBondContact O-N 3.49Å |
| 118 | I | 89.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 178.3 | -70.2 | 161.5 | 0 | 0 | 0 | 111 | W12 A107 L110 M114 Q115 H120 L121 I122 | W12-I118 HydrophobicContact CB-CD1 3.76Å; W12-I118 HydrophobicContact CD2-CD1 4.31Å; W12-I118 HydrophobicContact CD2-CG2 4.08Å; W12-I118 HydrophobicContact CE3-CD1 4.44Å; W12-I118 HydrophobicContact CE3-CG1 4.31Å; W12-I118 HydrophobicContact CE3-CG2 3.81Å; W12-I118 HydrophobicContact CG-CD1 4.04Å; W12-I118 HydrophobicContact CH2-CG2 4.31Å; W12-I118 HydrophobicContact CZ3-CG2 3.93Å; A107-I118 HydrophobicContact CB-CG2 4.38Å; L110-I118 HydrophobicContact CD1-CD1 3.28Å; M114-I118 WeakPolarHBondContact O-CB 3.4Å; M114-I118 WeakPolarHBondContact O-CD1 3.37Å; M114-I118 VanDerWaalsContact O-CG1 3.27Å; M114-I118 WeakPolarHBondContact O-CG1 3.44Å; M114-I118 PolarHBondContact O-N 3.29Å; Q115-I118 PolarHBondContact O-N 3.25Å; I118-H120 PolarHBondContact O-N 3.49Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 PolarHBondContact O-N 2.9Å; I118-I122 HydrophobicContact CG2-CD1 3.56Å; I118-I122 HydrophobicContact CG2-CG1 4.4Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.33Å; I118-I122 PolarHBondContact O-N 3.38Å |
| 119 | F | 88.2 | Confident | 83.2 | Confident | 105 Ų | 105 | 48.5 Ų | 48.5 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 174.5 | -178.2 | -100.8 | 0 | 0 | 0 | 111.5 | Q115 T116 L121 I122 Q123 | Q115-F119 VanDerWaalsContact O-CB 3.26Å; Q115-F119 WeakPolarHBondContact O-CB 3.49Å; Q115-F119 PolarHBondContact O-N 2.7Å; T116-F119 PolarHBondContact O-N 3.03Å; F119-L121 PolarHBondContact O-N 3.44Å; F119-I122 PolarHBondContact O-N 3.46Å; F119-Q123 HydrophobicContact CD1-CB 4.47Å; F119-Q123 HydrophobicContact CE1-CB 4.21Å; F119-Q123 VanDerWaalsContact CE1-CD 3.44Å; F119-Q123 HydrophobicContact CE1-CG 4.18Å; F119-Q123 HydrophobicContact CZ-CB 4.29Å; F119-Q123 HydrophobicContact CZ-CG 4.1Å; F119-Q123 WeakPolarHBondContact O-CB 3.49Å; F119-Q123 PolarHBondContact O-N 2.86Å |
| 120 | H | 81.5 | Confident | 82.3 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.4 | -34 | 175.2 | -76.5 | -47.8 | 0 | 0 | 0 | 113.8 | T116 A117 I118 I122 | T116-H120 PolarHBondContact O-CD2 2.83Å; T116-H120 VanDerWaalsContact O-CD2 3.3Å; T116-H120 PolarHBondContact O-N 3.39Å; A117-H120 PolarHBondContact O-N 2.85Å; I118-H120 PolarHBondContact O-N 3.49Å; H120-I122 VanDerWaalsContact C-N 3.33Å |
| 121 | L | 83.4 | Confident | 81.2 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 172.5 | -75.7 | 161.6 | 0 | 0 | 0 | 112.6 | M5 L9 L88 A117 I118 F119 P125 I144 | M5-L121 HydrophobicContact CE-CD1 3.77Å; M5-L121 HydrophobicContact CE-CD2 3.86Å; M5-L121 HydrophobicContact CE-CG 3.56Å; L9-L121 HydrophobicContact CD1-CD1 4.22Å; L88-L121 HydrophobicContact CD1-CB 4.22Å; L88-L121 HydrophobicContact CD2-CB 4.45Å; L88-L121 HydrophobicContact CD2-CD2 3.86Å; A117-L121 WeakPolarHBondContact O-CG 3.5Å; A117-L121 PolarHBondContact O-N 3.49Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 PolarHBondContact O-N 2.9Å; F119-L121 PolarHBondContact O-N 3.44Å; L121-P125 WeakPolarHBondContact O-CD 3.48Å; L121-P125 VanDerWaalsContact O-CG 3.29Å; L121-P125 WeakPolarHBondContact O-CG 3.44Å; L121-I144 HydrophobicContact CD2-CG1 4.32Å |
| 122 | I | 86.4 | Confident | 79.8 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.097 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -87.6 | -45.5 | -178.1 | -63.9 | 163.4 | 0 | 0 | 0 | 112 | W12 L92 L95 M104 I118 F119 H120 V124 P125 M126 | W12-I122 HydrophobicContact CH2-CD1 3.67Å; W12-I122 HydrophobicContact CH2-CG1 4.23Å; W12-I122 HydrophobicContact CZ2-CD1 4.24Å; W12-I122 HydrophobicContact CZ3-CD1 4.16Å; W12-I122 HydrophobicContact CZ3-CG1 4.48Å; L92-I122 HydrophobicContact CD2-CG2 4.31Å; L95-I122 HydrophobicContact CD1-CD1 3.89Å; L95-I122 HydrophobicContact CD1-CG1 4.02Å; L95-I122 HydrophobicContact CD1-CG2 3.98Å; M104-I122 HydrophobicContact CE-CD1 4.02Å; I118-I122 HydrophobicContact CG2-CD1 3.56Å; I118-I122 HydrophobicContact CG2-CG1 4.4Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.33Å; I118-I122 PolarHBondContact O-N 3.38Å; F119-I122 PolarHBondContact O-N 3.46Å; H120-I122 VanDerWaalsContact C-N 3.33Å; I122-V124 PolarHBondContact O-N 2.68Å; I122-P125 WeakPolarHBondContact O-CD 3.31Å; I122-M126 HydrophobicContact CG2-CB 4.45Å; I122-M126 HydrophobicContact CG2-CG 3.58Å; I122-M126 VanDerWaalsContact O-CB 3.3Å; I122-M126 WeakPolarHBondContact O-CB 3.21Å; I122-M126 WeakPolarHBondContact O-CG 3.46Å; I122-M126 PolarHBondContact O-N 2.84Å |
| 123 | Q | 84.1 | Confident | 78.7 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 34% | 0.341 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | -167.2 | -174.9 | -171.3 | 37.4 | 0 | 0 | 112.7 | F119 T127 | F119-Q123 HydrophobicContact CD1-CB 4.47Å; F119-Q123 HydrophobicContact CE1-CB 4.21Å; F119-Q123 VanDerWaalsContact CE1-CD 3.44Å; F119-Q123 HydrophobicContact CE1-CG 4.18Å; F119-Q123 HydrophobicContact CZ-CB 4.29Å; F119-Q123 HydrophobicContact CZ-CG 4.1Å; F119-Q123 WeakPolarHBondContact O-CB 3.49Å; F119-Q123 PolarHBondContact O-N 2.86Å; Q123-T127 WeakPolarHBondContact O-CB 3.33Å; Q123-T127 WeakPolarHBondContact O-CG2 3.49Å; Q123-T127 PolarHBondContact O-N 3.5Å; Q123-T127 PolarHBondContact O-OG1 3.37Å |
| 124 | V | 72.5 | Confident | 77.8 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.4 | -50.8 | -177.7 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | I122 M126 T127 Q128 L139 R143 I163 | I122-V124 PolarHBondContact O-N 2.68Å; V124-M126 PolarHBondContact O-N 3.45Å; V124-T127 PolarHBondContact O-N 2.84Å; V124-T127 PolarHBondContact O-OG1 2.98Å; V124-T127 VanDerWaalsContact O-OG1 3.08Å; V124-Q128 WeakPolarHBondContact O-CB 3.43Å; V124-Q128 WeakPolarHBondContact O-CG 3.46Å; V124-Q128 PolarHBondContact O-N 3.4Å; V124-L139 HydrophobicContact CG1-CD1 4.09Å; V124-R143 HydrophobicContact CG1-CG 4.31Å; V124-I163 HydrophobicContact CB-CD1 4.4Å; V124-I163 HydrophobicContact CG1-CD1 3.96Å; V124-I163 HydrophobicContact CG2-CD1 4.28Å |
| 125 | P | 76.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | 171.4 | -29.5 | 38.3 | 0 | 0 | 0 | 113.6 | L92 L121 I122 T127 Q128 L129 F135 | L92-P125 HydrophobicContact CD1-CB 3.5Å; L92-P125 HydrophobicContact CD1-CG 4.01Å; L92-P125 HydrophobicContact CD2-CB 4Å; L92-P125 HydrophobicContact CG-CB 4.43Å; L121-P125 WeakPolarHBondContact O-CD 3.48Å; L121-P125 VanDerWaalsContact O-CG 3.29Å; L121-P125 WeakPolarHBondContact O-CG 3.44Å; I122-P125 WeakPolarHBondContact O-CD 3.31Å; P125-T127 PolarHBondContact O-N 2.9Å; P125-Q128 PolarHBondContact O-N 2.96Å; P125-L129 WeakPolarHBondContact O-CB 3.29Å; P125-L129 WeakPolarHBondContact O-CD1 3.23Å; P125-L129 VanDerWaalsContact O-CG 3.24Å; P125-L129 WeakPolarHBondContact O-CG 3.23Å; P125-L129 PolarHBondContact O-N 3.18Å; P125-F135 HydrophobicContact CB-CE2 4.31Å |
| 126 | M | 76.6 | Confident | 76.5 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | -179.2 | -73.7 | -61.6 | -68.6 | 0 | 0 | 113.1 | L92 I122 V124 L129 S130 | L92-M126 HydrophobicContact CD2-CG 3.84Å; L92-M126 HydrophobicContact CD2-SD 3.99Å; I122-M126 HydrophobicContact CG2-CB 4.45Å; I122-M126 HydrophobicContact CG2-CG 3.58Å; I122-M126 VanDerWaalsContact O-CB 3.3Å; I122-M126 WeakPolarHBondContact O-CB 3.21Å; I122-M126 WeakPolarHBondContact O-CG 3.46Å; I122-M126 PolarHBondContact O-N 2.84Å; V124-M126 PolarHBondContact O-N 3.45Å; M126-L129 HydrophobicContact SD-CD1 4.25Å; M126-S130 VanDerWaalsContact O-CB 3.28Å; M126-S130 WeakPolarHBondContact O-CB 3.33Å; M126-S130 PolarHBondContact O-N 2.82Å |
| 127 | T | 75 | Confident | 76.4 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.1 | -36.3 | 174.5 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | Q123 V124 P125 S130 L131 I163 | Q123-T127 WeakPolarHBondContact O-CB 3.33Å; Q123-T127 WeakPolarHBondContact O-CG2 3.49Å; Q123-T127 PolarHBondContact O-N 3.5Å; Q123-T127 PolarHBondContact O-OG1 3.37Å; V124-T127 PolarHBondContact O-N 2.84Å; V124-T127 PolarHBondContact O-OG1 2.98Å; V124-T127 VanDerWaalsContact O-OG1 3.08Å; P125-T127 PolarHBondContact O-N 2.9Å; T127-S130 PolarHBondContact O-N 2.81Å; T127-L131 WeakPolarHBondContact O-CB 3.42Å; T127-L131 WeakPolarHBondContact O-CD1 3.37Å; T127-L131 VanDerWaalsContact O-CG 3.24Å; T127-L131 WeakPolarHBondContact O-CG 3.5Å; T127-L131 PolarHBondContact O-N 3.14Å; T127-L131 VanDerWaalsContact O-N 3.09Å; T127-I163 WeakPolarHBondContact OG1-CD1 3.38Å |
| 128 | Q | 68.8 | Low | 76.2 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 172.5 | -71.5 | -97.7 | 29.9 | 0 | 0 | 112.3 | V124 P125 L131 H132 H133 L139 I163 C165 | V124-Q128 WeakPolarHBondContact O-CB 3.43Å; V124-Q128 WeakPolarHBondContact O-CG 3.46Å; V124-Q128 PolarHBondContact O-N 3.4Å; P125-Q128 PolarHBondContact O-N 2.96Å; Q128-L131 PolarHBondContact O-N 2.97Å; Q128-L131 VanDerWaalsContact O-N 3.15Å; Q128-H132 PolarHBondContact O-N 2.84Å; Q128-H133 PolarHBondContact O-N 2.88Å; Q128-H133 PolarHBondContact OE1-CD2 2.92Å; Q128-H133 VanDerWaalsContact OE1-CD2 3.31Å; Q128-L139 HydrophobicContact CB-CD2 3.64Å; Q128-L139 HydrophobicContact CG-CD1 3.99Å; Q128-L139 HydrophobicContact CG-CD2 3.61Å; Q128-L139 HydrophobicContact CG-CG 4.43Å; Q128-L139 VanDerWaalsContact NE2-CD1 3.32Å; Q128-I163 HydrophobicContact CG-CD1 4.17Å; Q128-C165 PolarHBondContact NE2-SG 3.39Å; Q128-C165 PolarHBondContact OE1-SG 2.94Å; Q128-C165 VanDerWaalsContact OE1-SG 3.37Å |
| 129 | L | 71 | Confident | 75.7 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 174.9 | -73.7 | 160.7 | 0 | 0 | 0 | 111.4 | F60 P125 M126 L131 H132 F135 | F60-L129 HydrophobicContact CD1-CD1 4.23Å; F60-L129 HydrophobicContact CD1-CD2 3.71Å; F60-L129 HydrophobicContact CE1-CD1 3.72Å; F60-L129 HydrophobicContact CE1-CD2 4.07Å; P125-L129 WeakPolarHBondContact O-CB 3.29Å; P125-L129 WeakPolarHBondContact O-CD1 3.23Å; P125-L129 VanDerWaalsContact O-CG 3.24Å; P125-L129 WeakPolarHBondContact O-CG 3.23Å; P125-L129 PolarHBondContact O-N 3.18Å; M126-L129 HydrophobicContact SD-CD1 4.25Å; L129-L131 PolarHBondContact O-N 2.76Å; L129-H132 PolarHBondContact O-N 3.3Å; L129-H132 VanDerWaalsContact O-N 3.1Å; L129-F135 HydrophobicContact CD1-CD2 3.99Å; L129-F135 HydrophobicContact CD1-CE2 3.97Å; L129-F135 HydrophobicContact CD2-CB 3.96Å; L129-F135 HydrophobicContact CD2-CD2 3.62Å; L129-F135 HydrophobicContact CD2-CE2 4.38Å; L129-F135 HydrophobicContact CD2-CG 3.98Å; L129-F135 HydrophobicContact CG-CD2 3.79Å; L129-F135 HydrophobicContact CG-CE2 4.29Å |
| 130 | S | 70.1 | Confident | 75.2 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 53% | 0.531 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.3 | -19.2 | 175.5 | -172.9 | 0 | 0 | 0 | 0 | 114.1 | M126 T127 | M126-S130 VanDerWaalsContact O-CB 3.28Å; M126-S130 WeakPolarHBondContact O-CB 3.33Å; M126-S130 PolarHBondContact O-N 2.82Å; T127-S130 PolarHBondContact O-N 2.81Å |
| 131 | L | 68.2 | Low | 75.2 | Confident | 103 Ų | 103 | 55.5 Ų | 55.5 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4.8 | 175.6 | -72.4 | 168.4 | 0 | 0 | 0 | 112.9 | T127 Q128 L129 H133 | T127-L131 WeakPolarHBondContact O-CB 3.42Å; T127-L131 WeakPolarHBondContact O-CD1 3.37Å; T127-L131 VanDerWaalsContact O-CG 3.24Å; T127-L131 WeakPolarHBondContact O-CG 3.5Å; T127-L131 PolarHBondContact O-N 3.14Å; T127-L131 VanDerWaalsContact O-N 3.09Å; Q128-L131 PolarHBondContact O-N 2.97Å; Q128-L131 VanDerWaalsContact O-N 3.15Å; L129-L131 PolarHBondContact O-N 2.76Å; L131-H133 PolarHBondContact O-N 3.44Å |
| 132 | H | 60.7 | Low | 74.8 | Confident | 150 Ų | 150 | 57.1 Ų | 57.1 | 69% | 0.694 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 32.4 | -171.7 | -67.9 | -74.2 | 0 | 0 | 0 | 113.5 | Q128 L129 | Q128-H132 PolarHBondContact O-N 2.84Å; L129-H132 PolarHBondContact O-N 3.3Å; L129-H132 VanDerWaalsContact O-N 3.1Å |
| 133 | H | 64.2 | Low | 74.1 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | trans | -78.4 | 152.7 | 169.3 | -92 | -2.4 | 0 | 0 | 0 | 111.6 | Q128 L131 F135 C165 | Q128-H133 PolarHBondContact O-N 2.88Å; Q128-H133 PolarHBondContact OE1-CD2 2.92Å; Q128-H133 VanDerWaalsContact OE1-CD2 3.31Å; L131-H133 PolarHBondContact O-N 3.44Å; H133-F135 PolarHBondContact O-N 3.39Å; H133-C165 VanDerWaalsContact CD2-SG 3.56Å | ||
| 134 | E | 66.5 | Low | 73.5 | Confident | 166 Ų | 166 | 56.8 Ų | 56.8 | 78% | 0.776 | 29% | 0.289 | S | S | * | . | trans | -65.6 | 109.6 | -176.1 | -166.4 | 166.6 | -154.4 | 0 | 0 | 109.9 | T136 | E134-T136 HydrophobicContact CB-CG2 4.49Å; E134-T136 HydrophobicContact CG-CG2 4.21Å; E134-T136 WeakPolarHBondContact O-CG2 3.36Å; E134-T136 PolarHBondContact O-N 2.84Å; E134-T136 PolarHBondContact O-OG1 3.34Å | ||
| 135 | F | 76.1 | Confident | 73.4 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 9% | 0.088 | 31% | 0.307 | C | S | . | . | trans | -68.2 | 101.2 | -179.4 | -174.5 | -98.8 | 0 | 0 | 0 | 109 | V64 L67 T89 L92 P125 L129 H133 V140 | V64-F135 HydrophobicContact CG1-CD1 4Å; V64-F135 HydrophobicContact CG1-CE1 4.15Å; V64-F135 HydrophobicContact CG2-CD1 4.41Å; L67-F135 HydrophobicContact CD1-CD1 3.64Å; L67-F135 HydrophobicContact CD1-CE1 3.99Å; L67-F135 VanDerWaalsContact CD1-O 3.23Å; L67-F135 WeakPolarHBondContact CD1-O 3.48Å; T89-F135 HydrophobicContact CG2-CE1 3.74Å; T89-F135 HydrophobicContact CG2-CZ 4.11Å; L92-F135 HydrophobicContact CD1-CE2 4.26Å; L92-F135 HydrophobicContact CD1-CZ 4.22Å; P125-F135 HydrophobicContact CB-CE2 4.31Å; L129-F135 HydrophobicContact CD1-CD2 3.99Å; L129-F135 HydrophobicContact CD1-CE2 3.97Å; L129-F135 HydrophobicContact CD2-CB 3.96Å; L129-F135 HydrophobicContact CD2-CD2 3.62Å; L129-F135 HydrophobicContact CD2-CE2 4.38Å; L129-F135 HydrophobicContact CD2-CG 3.98Å; L129-F135 HydrophobicContact CG-CD2 3.79Å; L129-F135 HydrophobicContact CG-CE2 4.29Å; H133-F135 PolarHBondContact O-N 3.39Å; F135-V140 HydrophobicContact CE1-CG2 3.99Å; F135-V140 HydrophobicContact CE2-CG2 3.89Å; F135-V140 HydrophobicContact CZ-CG2 3.44Å; F135-V140 VanDerWaalsContact CZ-CG2 3.44Å | ||
| 136 | T | 77.7 | Confident | 72.9 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | trans | -108.9 | 148.5 | -169.7 | 38.1 | 0 | 0 | 0 | 0 | 111.3 | E134 D138 L139 V140 | E134-T136 HydrophobicContact CB-CG2 4.49Å; E134-T136 HydrophobicContact CG-CG2 4.21Å; E134-T136 WeakPolarHBondContact O-CG2 3.36Å; E134-T136 PolarHBondContact O-N 2.84Å; E134-T136 PolarHBondContact O-OG1 3.34Å; T136-D138 PolarHBondContact O-N 3.31Å; T136-L139 WeakPolarHBondContact O-CB 3.46Å; T136-L139 PolarHBondContact O-N 2.85Å; T136-L139 VanDerWaalsContact O-N 3.13Å; T136-V140 PolarHBondContact O-N 3.5Å | ||
| 137 | R | 82.7 | Confident | 71.9 | Confident | 85 Ų | 85 | 62.5 Ų | 62.5 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -47.1 | -48.5 | 173.3 | 178.3 | -169.1 | 173.2 | 104.1 | -7.8 | 111.3 | L67 F68 E82 L139 V140 T141 | L67-R137 HydrophobicContact CB-CB 4.22Å; L67-R137 HydrophobicContact CD2-CB 4.42Å; L67-R137 VanDerWaalsContact O-CD 3.27Å; L67-R137 WeakPolarHBondContact O-CD 3.26Å; L67-R137 WeakPolarHBondContact O-CG 3.24Å; L67-R137 PolarHBondContact O-NH1 3.46Å; F68-R137 HydrophobicContact CE1-CG 4.16Å; F68-R137 HydrophobicContact CZ-CG 4.48Å; E82-R137 VanDerWaalsContact CD-CZ 3.49Å; E82-R137 IonicContact OE1-CZ 2.71Å; E82-R137 IonicContact OE1-NH1 3.13Å; E82-R137 PolarHBondContact OE1-NH1 2.95Å; E82-R137 IonicContact OE1-NH2 3.08Å; E82-R137 PolarHBondContact OE1-NH2 2.96Å; E82-R137 IonicContact OE2-CZ 2.78Å; E82-R137 IonicContact OE2-NH1 3.94Å; E82-R137 PolarHBondContact OE2-NH1 2.92Å; E82-R137 IonicContact OE2-NH2 3.24Å; R137-L139 VanDerWaalsContact C-N 3.32Å; R137-L139 PolarHBondContact O-N 3.45Å; R137-V140 PolarHBondContact O-N 2.72Å; R137-V140 VanDerWaalsContact O-N 3.1Å; R137-T141 HydrophobicContact CG-CG2 4.14Å; R137-T141 WeakPolarHBondContact O-CG2 3.48Å; R137-T141 PolarHBondContact O-N 3.38Å; R137-T141 PolarHBondContact O-OG1 3.12Å |
| 138 | D | 80.6 | Confident | 70.6 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.3 | -27.5 | -174.3 | -61.3 | -20.8 | 0 | 0 | 0 | 113.4 | T136 V140 T141 S142 | T136-D138 PolarHBondContact O-N 3.31Å; D138-V140 VanDerWaalsContact C-N 3.33Å; D138-T141 WeakPolarHBondContact CA-OG1 3.24Å; D138-S142 WeakPolarHBondContact O-CB 3.31Å; D138-S142 PolarHBondContact O-N 3.26Å; D138-S142 PolarHBondContact O-OG 2.99Å |
| 139 | L | 78.3 | Confident | 69.7 | Low | 16 Ų | 16 | 72.1 Ų | 72.1 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.1 | -38 | 172 | 175.1 | 63 | 0 | 0 | 0 | 111.8 | V124 Q128 T136 R137 S142 | V124-L139 HydrophobicContact CG1-CD1 4.09Å; Q128-L139 HydrophobicContact CB-CD2 3.64Å; Q128-L139 HydrophobicContact CG-CD1 3.99Å; Q128-L139 HydrophobicContact CG-CD2 3.61Å; Q128-L139 HydrophobicContact CG-CG 4.43Å; Q128-L139 VanDerWaalsContact NE2-CD1 3.32Å; T136-L139 WeakPolarHBondContact O-CB 3.46Å; T136-L139 PolarHBondContact O-N 2.85Å; T136-L139 VanDerWaalsContact O-N 3.13Å; R137-L139 VanDerWaalsContact C-N 3.32Å; R137-L139 PolarHBondContact O-N 3.45Å; L139-S142 PolarHBondContact O-OG 3.39Å |
| 140 | V | 78.7 | Confident | 68.5 | Low | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -79.2 | -48.2 | -179.5 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | F68 L88 F135 T136 R137 D138 R143 I144 | F68-V140 HydrophobicContact CZ-CB 4.02Å; F68-V140 HydrophobicContact CZ-CG1 4.01Å; F68-V140 HydrophobicContact CZ-CG2 4.48Å; L88-V140 HydrophobicContact CB-CG1 4.37Å; L88-V140 HydrophobicContact CD2-CG1 3.98Å; L88-V140 HydrophobicContact CG-CG1 4.37Å; F135-V140 HydrophobicContact CE1-CG2 3.99Å; F135-V140 HydrophobicContact CE2-CG2 3.89Å; F135-V140 HydrophobicContact CZ-CG2 3.44Å; F135-V140 VanDerWaalsContact CZ-CG2 3.44Å; T136-V140 PolarHBondContact O-N 3.5Å; R137-V140 PolarHBondContact O-N 2.72Å; R137-V140 VanDerWaalsContact O-N 3.1Å; D138-V140 VanDerWaalsContact C-N 3.33Å; V140-R143 PolarHBondContact O-N 2.79Å; V140-I144 HydrophobicContact CG1-CD1 4.37Å; V140-I144 PolarHBondContact O-N 3.26Å |
| 141 | T | 81 | Confident | 67.4 | Low | 16 Ų | 16 | 73.3 Ų | 73.3 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70 | -34.7 | -176.9 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | F68 V81 R137 D138 R143 I144 L145 | F68-T141 HydrophobicContact CE1-CG2 3.86Å; F68-T141 HydrophobicContact CZ-CG2 4.44Å; V81-T141 HydrophobicContact CG1-CG2 3.8Å; R137-T141 HydrophobicContact CG-CG2 4.14Å; R137-T141 WeakPolarHBondContact O-CG2 3.48Å; R137-T141 PolarHBondContact O-N 3.38Å; R137-T141 PolarHBondContact O-OG1 3.12Å; D138-T141 WeakPolarHBondContact CA-OG1 3.24Å; T141-R143 VanDerWaalsContact C-N 3.31Å; T141-R143 PolarHBondContact O-N 3.25Å; T141-I144 WeakPolarHBondContact O-CB 3.36Å; T141-I144 PolarHBondContact O-N 2.9Å; T141-L145 WeakPolarHBondContact O-CG 3.48Å; T141-L145 PolarHBondContact O-N 2.94Å |
| 142 | S | 76 | Confident | 66 | Low | 40 Ų | 40 | 76.7 Ų | 76.7 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 175.4 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | D138 L139 I144 L145 D146 | D138-S142 WeakPolarHBondContact O-CB 3.31Å; D138-S142 PolarHBondContact O-N 3.26Å; D138-S142 PolarHBondContact O-OG 2.99Å; L139-S142 PolarHBondContact O-OG 3.39Å; S142-I144 VanDerWaalsContact C-N 3.31Å; S142-I144 PolarHBondContact O-N 3.47Å; S142-L145 CarbonylContact O-C 3.58Å; S142-L145 PolarHBondContact O-N 3.37Å; S142-D146 WeakPolarHBondContact O-CB 3.41Å; S142-D146 PolarHBondContact O-N 2.89Å |
| 143 | R | 71.1 | Confident | 64.6 | Low | 81 Ų | 81 | 75.5 Ų | 75.5 | 31% | 0.306 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.8 | -22.6 | 178.1 | -62.5 | -53.9 | -174.8 | 168.5 | 5 | 114.2 | V124 V140 T141 L145 S147 | V124-R143 HydrophobicContact CG1-CG 4.31Å; V140-R143 PolarHBondContact O-N 2.79Å; T141-R143 VanDerWaalsContact C-N 3.31Å; T141-R143 PolarHBondContact O-N 3.25Å; R143-L145 PolarHBondContact O-N 2.98Å; R143-S147 PolarHBondContact O-OG 3Å |
| 144 | I | 71 | Confident | 63.1 | Low | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.015 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.7 | 169.5 | -70.4 | 169.6 | 0 | 0 | 0 | 112.1 | M1 V81 F84 L88 L121 V140 T141 S142 | M1-I144 WeakPolarHBondContact CA-O 3.26Å; M1-I144 HydrophobicContact CB-CG2 4.14Å; M1-I144 HydrophobicContact CE-CG2 3.96Å; M1-I144 HydrophobicContact CG-CG2 3.75Å; M1-I144 HydrophobicContact SD-CG2 3.69Å; V81-I144 HydrophobicContact CG1-CG2 4.34Å; F84-I144 HydrophobicContact CB-CD1 4.31Å; L88-I144 HydrophobicContact CD2-CD1 4.19Å; L88-I144 HydrophobicContact CD2-CG1 4.35Å; L121-I144 HydrophobicContact CD2-CG1 4.32Å; V140-I144 HydrophobicContact CG1-CD1 4.37Å; V140-I144 PolarHBondContact O-N 3.26Å; T141-I144 WeakPolarHBondContact O-CB 3.36Å; T141-I144 PolarHBondContact O-N 2.9Å; S142-I144 VanDerWaalsContact C-N 3.31Å; S142-I144 PolarHBondContact O-N 3.47Å |
| 145 | L | 70.5 | Confident | 61.4 | Low | 93 Ų | 93 | 75 Ų | 75 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -39.4 | -177.1 | -65.7 | 172 | 0 | 0 | 0 | 114.2 | V81 T141 S142 R143 S147 | V81-L145 HydrophobicContact CG1-CD1 4.42Å; V81-L145 HydrophobicContact CG2-CD2 4.09Å; T141-L145 WeakPolarHBondContact O-CG 3.48Å; T141-L145 PolarHBondContact O-N 2.94Å; S142-L145 CarbonylContact O-C 3.58Å; S142-L145 PolarHBondContact O-N 3.37Å; R143-L145 PolarHBondContact O-N 2.98Å; L145-S147 VanDerWaalsContact C-N 3.26Å; L145-S147 PolarHBondContact O-N 3.01Å |
| 146 | D | 65.5 | Low | 59.3 | Low | 101 Ų | 101 | 80.9 Ų | 80.9 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | trans | -79.6 | 4.2 | -175.2 | -89.9 | -13.7 | 0 | 0 | 0 | 114.9 | S142 S148 | S142-D146 WeakPolarHBondContact O-CB 3.41Å; S142-D146 PolarHBondContact O-N 2.89Å; D146-S148 PolarHBondContact O-N 3.48Å; D146-S148 PolarHBondContact O-OG 3.24Å | ||
| 147 | S | 55.8 | Low | 57.2 | Low | 4 Ų | 4 | 83.8 Ų | 83.8 | 3% | 0.028 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -55.3 | -17.9 | -168.4 | -37.7 | 0 | 0 | 0 | 0 | 115.5 | R143 L145 Q149 C150 | R143-S147 PolarHBondContact O-OG 3Å; L145-S147 VanDerWaalsContact C-N 3.26Å; L145-S147 PolarHBondContact O-N 3.01Å; S147-Q149 PolarHBondContact O-N 3.07Å; S147-C150 PolarHBondContact O-N 3.45Å |
| 148 | S | 47.4 | Very low | 54.7 | Low | 103 Ų | 103 | 88.9 Ų | 88.9 | 72% | 0.72 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -50.2 | -9.8 | 177 | 64.6 | 0 | 0 | 0 | 0 | 117.8 | D146 | D146-S148 PolarHBondContact O-N 3.48Å; D146-S148 PolarHBondContact O-OG 3.24Å |
| 149 | Q | 50.1 | Low | 52.2 | Low | 170 Ų | 170 | 94.5 Ų | 94.5 | 79% | 0.794 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -101.6 | -8.7 | 177 | -65.8 | -174.3 | 6.4 | 0 | 0 | 114.3 | S147 | S147-Q149 PolarHBondContact O-N 3.07Š|
| 150 | C | 46.6 | Very low | 49.9 | Very low | 46 Ų | 46 | 102.3 Ų | 102.3 | 31% | 0.311 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -88.6 | -17.8 | -167.5 | -71.7 | 0 | 0 | 0 | 0 | 116.2 | S147 | S147-C150 PolarHBondContact O-N 3.45Š|
| 151 | I | 46.5 | Very low | 47.7 | Very low | 86 Ų | 86 | 110 Ų | 110 | 44% | 0.441 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -103.5 | 4 | -162.2 | -53.4 | 175.9 | 0 | 0 | 0 | 113.2 | F4 | F4-I151 HydrophobicContact CB-CD1 4.29Å; F4-I151 HydrophobicContact CD1-CD1 3.73Å; F4-I151 HydrophobicContact CE1-CD1 4.46Å; F4-I151 HydrophobicContact CG-CD1 4.2Å |
| 152 | H | 39.5 | Very low | 45.1 | Very low | 174 Ų | 174 | 114.3 Ų | 114.3 | 81% | 0.806 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -144.6 | 38.9 | -164.5 | -103.7 | 27.6 | 0 | 0 | 0 | 116.6 | ||
| 153 | N | 31.1 | Very low | 43 | Very low | 125 Ų | 125 | 114.2 Ų | 114.2 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | trans | -153.1 | 83.9 | 170.4 | -85.2 | -67.5 | 0 | 0 | 0 | 114.2 | N155 | N153-N155 PolarHBondContact O-N 3.2Š| ||
| 154 | D | 33.5 | Very low | 41 | Very low | 142 Ų | 142 | 116.1 Ų | 116.1 | 76% | 0.759 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -72.3 | 12 | 175.2 | -73.1 | -53.1 | 0 | 0 | 0 | 115.7 | R683 | D154-R683 PolarHBondContact O-NH2 2.92Š|
| 155 | N | 30.4 | Very low | 39 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 55% | 0.551 | 61% | 0.612 | S | S | * | * | trans | -146 | 72.6 | -172.5 | -79.4 | -50.7 | 0 | 0 | 0 | 113 | N153 | N153-N155 PolarHBondContact O-N 3.2Š| ||
| 156 | L | 32.5 | Very low | 37.2 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | trans | -150 | 121.1 | 163 | -105.8 | 158.7 | 0 | 0 | 0 | 109.9 | ||||
| 157 | P | 32.3 | Very low | 35.6 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 65% | 0.645 | S | S | * | * | trans | -71.9 | 152.2 | -176 | 28.7 | -35.7 | 0 | 0 | 0 | 112.8 | R159 | P157-R159 PolarHBondContact O-N 3.28Š| ||
| 158 | F | 29.5 | Very low | 34.4 | Very low | 193 Ų | 193 | 134 Ų | 134 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | trans | -49 | 107.9 | 178 | -82.4 | -98.5 | 0 | 0 | 0 | 112.6 | ||||
| 159 | R | 29.9 | Very low | 33.7 | Very low | 231 Ų | 231 | 138.3 Ų | 138.3 | 87% | 0.872 | 69% | 0.693 | S | S | * | * | trans | -114.9 | 117.3 | 160.8 | -166.6 | 177.8 | -168.1 | -172.8 | 3.7 | 107.5 | P157 Q161 | P157-R159 PolarHBondContact O-N 3.28Å; R159-Q161 PolarHBondContact O-N 3.49Å | ||
| 160 | H | 29.5 | Very low | 33 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 83% | 0.833 | 69% | 0.692 | S | S | * | * | trans | -51.4 | 106.1 | 178.2 | -72.4 | -91.3 | 0 | 0 | 0 | 110.3 | T162 | H160-T162 PolarHBondContact O-N 2.93Š| ||
| 161 | Q | 31.2 | Very low | 32.5 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | trans | -81.2 | 79.3 | 173.3 | -171.8 | 171.8 | 89.2 | 0 | 0 | 107.6 | R159 I163 | R159-Q161 PolarHBondContact O-N 3.49Å; Q161-I163 PolarHBondContact O-N 3Å | ||
| 162 | T | 28.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 142 Ų | 142 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | trans | -51.7 | 114.7 | 168.7 | -55.3 | 0 | 0 | 0 | 0 | 108.1 | H160 T164 | H160-T162 PolarHBondContact O-N 2.93Å; T162-T164 PolarHBondContact O-N 2.95Å | ||
| 163 | I | 31.4 | Very low | 31.7 | Very low | 38 Ų | 38 | 141 Ų | 141 | 20% | 0.195 | 71% | 0.712 | C | S | . | * | trans | -76.5 | 82.9 | -179.8 | -53.7 | 163.5 | 0 | 0 | 0 | 107.7 | V124 T127 Q128 Q161 C165 | V124-I163 HydrophobicContact CB-CD1 4.4Å; V124-I163 HydrophobicContact CG1-CD1 3.96Å; V124-I163 HydrophobicContact CG2-CD1 4.28Å; T127-I163 WeakPolarHBondContact OG1-CD1 3.38Å; Q128-I163 HydrophobicContact CG-CD1 4.17Å; Q161-I163 PolarHBondContact O-N 3Å; I163-C165 VanDerWaalsContact C-N 3.28Å; I163-C165 PolarHBondContact O-N 2.81Å | ||
| 164 | T | 29.1 | Very low | 32 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | trans | -68.6 | 90.8 | 165.2 | 31.5 | 0 | 0 | 0 | 0 | 108.6 | T162 K166 | T162-T164 PolarHBondContact O-N 2.95Å; T164-K166 PolarHBondContact O-N 3.29Å | ||
| 165 | C | 28.8 | Very low | 31.9 | Very low | 54 Ų | 54 | 138.9 Ų | 138.9 | 37% | 0.365 | 72% | 0.715 | S | S | . | * | trans | -55.9 | 126.5 | 168.6 | -79.8 | 0 | 0 | 0 | 0 | 109.5 | Q128 H133 I163 V167 | Q128-C165 PolarHBondContact NE2-SG 3.39Å; Q128-C165 PolarHBondContact OE1-SG 2.94Å; Q128-C165 VanDerWaalsContact OE1-SG 3.37Å; H133-C165 VanDerWaalsContact CD2-SG 3.56Å; I163-C165 VanDerWaalsContact C-N 3.28Å; I163-C165 PolarHBondContact O-N 2.81Å; C165-V167 PolarHBondContact O-N 2.85Å | ||
| 166 | K | 31.9 | Very low | 32 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 87% | 0.865 | 72% | 0.723 | S | S | * | * | trans | -75.6 | 95.3 | 174.1 | -65.4 | 177.3 | -176.5 | 172.4 | 0 | 108.4 | T164 | T164-K166 PolarHBondContact O-N 3.29Š| ||
| 167 | V | 32.8 | Very low | 32 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | -68.6 | 128.6 | 148.5 | 179.7 | 0 | 0 | 0 | 0 | 106.4 | C165 E169 | C165-V167 PolarHBondContact O-N 2.85Å; V167-E169 PolarHBondContact O-N 3.34Å | ||
| 168 | E | 31.3 | Very low | 32.2 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | trans | -77.4 | 114.4 | -179.3 | -60.1 | -175.5 | 127.7 | 0 | 0 | 110.6 | ||||
| 169 | E | 32.5 | Very low | 33 | Very low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -145.3 | 150.3 | 147.7 | -145.8 | 170.4 | -165 | 0 | 0 | 110.5 | V167 | V167-E169 PolarHBondContact O-N 3.34Š| ||
| 170 | E | 33.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -89.5 | 171.6 | -147.1 | -55.6 | -173.5 | 112.3 | 0 | 0 | 117.3 | ||||
| 171 | I | 36.8 | Very low | 33.2 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 67% | 0.667 | 71% | 0.71 | S | S | * | * | trans | 87.4 | 136.1 | 154.7 | -65.9 | 146.2 | 0 | 0 | 0 | 117.1 | ||||
| 172 | S | 33.6 | Very low | 33.2 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 58% | 0.58 | 71% | 0.713 | S | S | * | * | trans | -143.5 | 161.6 | -176.4 | -55.4 | 0 | 0 | 0 | 0 | 113.7 | R763 | S172-R763 PolarHBondContact O-NH2 3.35Š| ||
| 173 | E | 35.3 | Very low | 33.3 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 71% | 0.71 | 72% | 0.715 | S | S | * | * | trans | 79.8 | 135.6 | 152.7 | -75.9 | -171.4 | 162.6 | 0 | 0 | 122.5 | ||||
| 174 | P | 38.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -103.7 | 178.1 | -176.7 | 43.8 | -38.5 | 0 | 0 | 0 | 114.5 | ||||
| 175 | S | 31 | Very low | 33.3 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -169.1 | 119.1 | 155.1 | -170.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 176 | S | 33 | Very low | 33.3 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | 72 | 138 | 65.1 | 100 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 177 | K | 33.3 | Very low | 33.2 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | trans | -159.9 | 145.7 | 152.7 | -120.6 | 156.5 | -170.5 | 158.1 | 0 | 114.8 | ||||
| 178 | P | 36.5 | Very low | 33 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -124 | -133 | -176.9 | 38.7 | -16.3 | 0 | 0 | 0 | 109.3 | ||||
| 179 | P | 45.3 | Very low | 33 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | -137.4 | -177.6 | -27.5 | 37.9 | -19.5 | 0 | 0 | 0 | 116 | ||||
| 180 | S | 31 | Very low | 33 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 69.4 | 164.8 | 152.2 | 76.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 181 | S | 32.5 | Very low | 32.9 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -165.6 | 165.7 | 5.8 | 112.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 182 | T | 31.8 | Very low | 32.7 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | cis | 177.4 | 136.2 | -17.1 | -84.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 183 | G | 30.5 | Very low | 32.5 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | 133.8 | 140.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 184 | M | 33 | Very low | 32.5 | Very low | 179 Ų | 179 | 128.2 Ų | 128.2 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | 27.8 | 150.4 | 149.8 | -39.8 | -143.8 | 81.7 | 0 | 0 | 121.5 | ||||
| 185 | C | 27.1 | Very low | 32.1 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 60% | 0.595 | 77% | 0.772 | S | S | * | * | cis | -167.3 | 164.3 | 21.6 | -148.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 186 | N | 29.2 | Very low | 32.2 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | 51.8 | 132.3 | 155.9 | -64.6 | -26.5 | 0 | 0 | 0 | 122.1 | ||||
| 187 | G | 28.3 | Very low | 32.1 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | 153.2 | 84.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 188 | Q | 29.1 | Very low | 32.1 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | trans | 42.4 | 138.1 | 147.2 | -78.8 | 173.2 | -29.9 | 0 | 0 | 124 | ||||
| 189 | K | 31.6 | Very low | 31.8 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -58.4 | 144.1 | 166.3 | -60.7 | 176.1 | 176.1 | -178.6 | 0 | 113.1 | ||||
| 190 | V | 32.2 | Very low | 31.1 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -135.8 | 137 | 134.9 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 191 | V | 32.5 | Very low | 30.9 | Very low | 124 Ų | 124 | 136 Ų | 136 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -101.7 | 125.3 | 169 | 172.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 192 | C | 32.1 | Very low | 30.9 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -132.7 | 110.2 | 162.9 | -77.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 193 | T | 29.3 | Very low | 30.7 | Very low | 130 Ų | 130 | 140 Ų | 140 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -70.6 | 138.3 | 158.3 | 49.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 194 | D | 34 | Very low | 30.8 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | -147.2 | 132.6 | 143.6 | -150.9 | -1.1 | 0 | 0 | 0 | 110.4 | R196 | D194-R196 IonicContact OD1-NH2 2.73Å; D194-R196 IonicContact OD2-CZ 2.82Å; D194-R196 IonicContact OD2-NH2 3.75Å; D194-R196 PolarHBondContact OD2-NH2 2.93Å | ||
| 195 | N | 29.9 | Very low | 30.8 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -104.9 | 123.8 | -171 | -156.6 | -0 | 0 | 0 | 0 | 108.2 | ||||
| 196 | R | 34.3 | Very low | 30.9 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -156.2 | 99.2 | 174.2 | -133.6 | 160.4 | -67.7 | -174.2 | 4.1 | 113.7 | D194 F198 | D194-R196 IonicContact OD1-NH2 2.73Å; D194-R196 IonicContact OD2-CZ 2.82Å; D194-R196 IonicContact OD2-NH2 3.75Å; D194-R196 PolarHBondContact OD2-NH2 2.93Å; R196-F198 HydrophobicContact CG-CE2 4.43Å; R196-F198 PolarHBondContact O-N 3.49Å | ||
| 197 | N | 30.5 | Very low | 31.1 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -57.1 | 130.8 | 166.3 | -70.8 | -26.5 | 0 | 0 | 0 | 110.7 | ||||
| 198 | F | 33.2 | Very low | 31.2 | Very low | 194 Ų | 194 | 149 Ų | 149 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -132.2 | 123.6 | 152.6 | -90.5 | -80.9 | 0 | 0 | 0 | 108.5 | R196 | R196-F198 HydrophobicContact CG-CE2 4.43Å; R196-F198 PolarHBondContact O-N 3.49Å | ||
| 199 | G | 31.2 | Very low | 31.4 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -88.1 | 148.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 200 | L | 29 | Very low | 31.5 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | trans | 26.2 | 103.3 | 137.2 | -57 | 175.7 | 0 | 0 | 0 | 117.5 | ||||
| 201 | S | 27.3 | Very low | 31.4 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | -169.6 | 109.9 | 122.2 | 40.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 202 | L | 32 | Very low | 31.6 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -129.2 | 125.5 | 154.8 | -118.6 | 90.1 | 0 | 0 | 0 | 107.6 | T204 | L202-T204 PolarHBondContact O-N 3.08Š| ||
| 203 | N | 28.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -78.2 | 120.3 | -170.1 | -62 | -39.6 | 0 | 0 | 0 | 110.8 | F205 | N203-F205 PolarHBondContact O-N 2.85Š| ||
| 204 | T | 31.7 | Very low | 32 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -67.7 | 112.7 | 165 | -62.2 | 0 | 0 | 0 | 0 | 108.4 | L202 G206 | L202-T204 PolarHBondContact O-N 3.08Å; T204-G206 PolarHBondContact O-N 3.36Å | ||
| 205 | F | 32.7 | Very low | 31.9 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -69.8 | 95.4 | 171 | -97.8 | -92.6 | 0 | 0 | 0 | 109.5 | N203 F207 | N203-F205 PolarHBondContact O-N 2.85Å; F205-F207 PolarHBondContact O-N 2.94Å | ||
| 206 | G | 29.4 | Very low | 32.3 | Very low | 68 Ų | 68 | 147.7 Ų | 147.7 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -67.8 | 118 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T204 | T204-G206 PolarHBondContact O-N 3.36Š| ||
| 207 | F | 33.7 | Very low | 32.2 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -100.8 | 101.8 | 160.3 | -100.4 | -88.9 | 0 | 0 | 0 | 108.1 | F205 F209 | F205-F207 PolarHBondContact O-N 2.94Å; F207-F209 PolarHBondContact O-N 3.44Å | ||
| 208 | E | 29.8 | Very low | 32.3 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -66 | 122.9 | 167 | -68.5 | -177 | 106.1 | 0 | 0 | 109.4 | ||||
| 209 | F | 33.3 | Very low | 32.4 | Very low | 201 Ų | 201 | 145 Ų | 145 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -102.8 | 92 | 164.4 | -126.5 | -86.7 | 0 | 0 | 0 | 108.4 | F207 R211 | F207-F209 PolarHBondContact O-N 3.44Å; F209-R211 PolarHBondContact O-N 3.46Å | ||
| 210 | T | 33.8 | Very low | 32.5 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | -65.2 | 115.2 | -175 | -34.2 | 0 | 0 | 0 | 0 | 110.4 | P212 | T210-P212 VanDerWaalsContact O-CD 3.26Å; T210-P212 WeakPolarHBondContact O-CD 3.48Å | ||
| 211 | R | 30.6 | Very low | 32.8 | Very low | 212 Ų | 212 | 144.5 Ų | 144.5 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 118.4 | 179.3 | 179.2 | -177.1 | -79.6 | -176.6 | -5.7 | 110.6 | F209 N213 | F209-R211 PolarHBondContact O-N 3.46Å; R211-N213 PolarHBondContact O-N 2.91Å |
| 212 | P | 37.8 | Very low | 33.2 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 118.2 | 176.6 | -10.6 | 28 | 0 | 0 | 0 | 110.7 | T210 | T210-P212 VanDerWaalsContact O-CD 3.26Å; T210-P212 WeakPolarHBondContact O-CD 3.48Å |
| 213 | N | 33.5 | Very low | 33.5 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 138.2 | 173 | -71 | -21.2 | 0 | 0 | 0 | 111.1 | R211 | R211-N213 PolarHBondContact O-N 2.91Š|
| 214 | S | 34.4 | Very low | 33.9 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 40.6 | 114.1 | 154.9 | 58.6 | 0 | 0 | 0 | 0 | 119.6 | T216 | S214-T216 PolarHBondContact O-N 2.91Š| ||
| 215 | P | 33.8 | Very low | 34.2 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -77.8 | 115.1 | 168.8 | 31.7 | -31.5 | 0 | 0 | 0 | 111.5 | ||||
| 216 | T | 37.5 | Very low | 34.4 | Very low | 127 Ų | 127 | 147.9 Ų | 147.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -123.6 | 127.5 | 171.6 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | S214 | S214-T216 PolarHBondContact O-N 2.91Š| ||
| 217 | E | 33 | Very low | 34.7 | Very low | 161 Ų | 161 | 153 Ų | 153 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -22.2 | 137.1 | 174.6 | -78.6 | -170.9 | 128.2 | 0 | 0 | 123.4 | ||||
| 218 | Y | 31.9 | Very low | 34.8 | Very low | 216 Ų | 216 | 151.6 Ų | 151.6 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | 74 | 159.7 | 141 | -80.6 | -70 | 0 | 0 | 0 | 123.5 | ||||
| 219 | A | 34.8 | Very low | 35 | Very low | 92 Ų | 92 | 146.5 Ų | 146.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 82.3 | 62.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 220 | N | 34.1 | Very low | 35.2 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | 34 | 115.7 | 121.1 | -166.6 | 20.9 | 0 | 0 | 0 | 120.6 | |||||
| 221 | G | 35.8 | Very low | 35.2 | Very low | 78 Ų | 78 | 145 Ų | 145 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -166.3 | 117.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 222 | H | 35.8 | Very low | 35.6 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -82.2 | 148.5 | -179.7 | -77.3 | -62.3 | 0 | 0 | 0 | 114.1 | ||||
| 223 | T | 38.1 | Very low | 35.1 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | -175.1 | 154.1 | 106.2 | 26.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 224 | N | 36.8 | Very low | 35.3 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -102.2 | 149.7 | -172.6 | -57 | -60.8 | 0 | 0 | 0 | 113.3 | ||||
| 225 | K | 36.6 | Very low | 35.2 | Very low | 207 Ų | 207 | 146.5 Ų | 146.5 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | trans | -141.6 | 102.2 | 140.5 | -74.4 | -162.6 | 178.1 | 175.1 | 0 | 112.9 | ||||
| 226 | L | 37.3 | Very low | 35.1 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | 11.8 | 146.2 | 138.9 | -61.8 | 167 | 0 | 0 | 0 | 118.1 | ||||
| 227 | K | 35.9 | Very low | 34.9 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | -171.7 | 142.6 | 63.3 | -178 | 168.3 | 179.5 | 179.5 | 0 | 115.9 | |||||
| 228 | N | 36.9 | Very low | 34.9 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 68.8 | 128.3 | 164.5 | -69.4 | 7 | 0 | 0 | 0 | 120 | ||||
| 229 | G | 34.2 | Very low | 34.8 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 156 | 35.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 230 | L | 36.2 | Very low | 34.7 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 8.9 | 137 | 163.1 | -73.6 | 97.5 | 0 | 0 | 0 | 120.5 | ||||
| 231 | D | 33.6 | Very low | 34.5 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | cis | -167.6 | -177.3 | -6.9 | -139.8 | -62.6 | 0 | 0 | 0 | 111.4 | ||||
| 232 | H | 38.6 | Very low | 34.5 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | 75.8 | 92 | 169.3 | -61.2 | -8.7 | 0 | 0 | 0 | 117.9 | ||||
| 233 | R | 29.4 | Very low | 34.5 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 73% | 0.725 | 80% | 0.801 | S | S | * | * | trans | -136.5 | 119.6 | 170.3 | 167.5 | -178.5 | 174.8 | 171.4 | 1.4 | 110.2 | N235 | R233-N235 PolarHBondContact NE-OD1 3.32Å; R233-N235 PolarHBondContact NH2-OD1 3.04Å | ||
| 234 | P | 35.7 | Very low | 34.3 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -73.1 | 151 | 154.9 | -10.3 | 27.9 | 0 | 0 | 0 | 109.5 | ||||
| 235 | N | 32.9 | Very low | 34.2 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 50% | 0.497 | 80% | 0.798 | S | S | . | * | trans | -143.1 | 144.7 | -168.6 | -150 | 23.4 | 0 | 0 | 0 | 112.8 | R233 | R233-N235 PolarHBondContact NE-OD1 3.32Å; R233-N235 PolarHBondContact NH2-OD1 3.04Å | ||
| 236 | N | 31.2 | Very low | 34 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | trans | 55.8 | 118 | 162.4 | -54.6 | -18.3 | 0 | 0 | 0 | 118.7 | ||||
| 237 | L | 34.7 | Very low | 33.6 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | trans | -126.4 | 115.5 | 139.3 | -83.3 | 175.9 | 0 | 0 | 0 | 108.7 | ||||
| 238 | S | 33.3 | Very low | 33.2 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -110.7 | 157.3 | 169.2 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 239 | L | 29.1 | Very low | 32.9 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -49.8 | 143 | -173.9 | -66.1 | 68.5 | 0 | 0 | 0 | 114 | ||||
| 240 | C | 32.4 | Very low | 32.7 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | -162.3 | 136.1 | 123.4 | -99.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 241 | N | 30.8 | Very low | 32.4 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -96.4 | 115.5 | 171.3 | -72.9 | -37 | 0 | 0 | 0 | 109.8 | ||||
| 242 | T | 35 | Very low | 32.2 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -171.6 | 113.7 | 151 | 31.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 243 | P | 34.9 | Very low | 32 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -101.7 | 103.8 | 170.2 | 34.1 | -25.5 | 0 | 0 | 0 | 110.9 | ||||
| 244 | D | 35.7 | Very low | 32.2 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -147.8 | 150.4 | 158.9 | -146.4 | -8.5 | 0 | 0 | 0 | 114.1 | ||||
| 245 | R | 33 | Very low | 32.2 | Very low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -15.9 | 115.6 | -179.3 | -67 | 147 | 170.6 | 174.1 | -5.8 | 118.6 | ||||
| 246 | S | 32.8 | Very low | 32.1 | Very low | 123 Ų | 123 | 146 Ų | 146 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | -147.2 | 141.2 | 112.8 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 247 | L | 29.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -101.4 | 168.1 | 177.6 | -99 | 164.3 | 0 | 0 | 0 | 110.2 | ||||
| 248 | C | 28.1 | Very low | 32.2 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 72% | 0.716 | 81% | 0.81 | S | S | * | * | trans | 85.7 | 141.7 | 163.8 | -57.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 249 | I | 30.1 | Very low | 32.5 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | 73.4 | 120.1 | 162.5 | -55.2 | 145.8 | 0 | 0 | 0 | 114 | ||||
| 250 | A | 29.4 | Very low | 32.9 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | cis | -147.6 | 157 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 251 | S | 29.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 150 Ų | 150 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -67.5 | 138.9 | 174.9 | -39.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 252 | R | 30 | Very low | 33.5 | Very low | 228 Ų | 228 | 149 Ų | 149 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -137.9 | 91.9 | 148 | -83.8 | -155.9 | 161.1 | -154.8 | -8.1 | 111.6 | N254 | R252-N254 PolarHBondContact O-N 3.1Š| ||
| 253 | L | 34 | Very low | 33.6 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -65.3 | 118.4 | 153.3 | -72.8 | 165.5 | 0 | 0 | 0 | 107.7 | ||||
| 254 | N | 33.6 | Very low | 33.7 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -96.5 | 72.3 | 159 | -87 | -5.4 | 0 | 0 | 0 | 108 | R252 | R252-N254 PolarHBondContact O-N 3.1Š| ||
| 255 | L | 35.9 | Very low | 33.7 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -96.3 | 119.4 | 156.8 | -145.2 | 168.8 | 0 | 0 | 0 | 105.6 | ||||
| 256 | T | 31.3 | Very low | 33.8 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | -79.9 | 120.8 | -172.6 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 257 | D | 29.8 | Very low | 34.1 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -130.1 | 144.6 | 148.1 | -89.7 | -44.4 | 0 | 0 | 0 | 108.1 | ||||
| 258 | N | 37.7 | Very low | 34.5 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -131.6 | 152.1 | 179 | -84.8 | -54.8 | 0 | 0 | 0 | 109.2 | ||||
| 259 | L | 39.2 | Very low | 35.2 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 72 | 137.7 | -173.2 | -72.5 | 64.5 | 0 | 0 | 0 | 113.2 | ||||
| 260 | E | 38.4 | Very low | 35.8 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -153.9 | 175.5 | -1.5 | -132.5 | 159.7 | -149.8 | 0 | 0 | 113.6 | ||||
| 261 | H | 38.5 | Very low | 36.4 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -83.7 | 178.3 | 176.4 | -68.8 | -46.5 | 0 | 0 | 0 | 112.1 | ||||
| 262 | N | 36.1 | Very low | 37.3 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | cis | -164.1 | 164.2 | 8.2 | -140.8 | -22.2 | 0 | 0 | 0 | 111.9 | ||||
| 263 | A | 37.1 | Very low | 37.7 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | trans | 60.2 | 157.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 264 | N | 36.7 | Very low | 37.7 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | cis | -164.6 | 150.3 | -1.9 | -114 | -7.7 | 0 | 0 | 0 | 110.9 | ||||
| 265 | H | 37.1 | Very low | 38 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 60.2 | 160.7 | 154.7 | -63.9 | -44.4 | 0 | 0 | 0 | 120.4 | ||||
| 266 | T | 35.2 | Very low | 38.2 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | cis | -162.4 | 165.9 | -22.3 | -85 | 0 | 0 | 0 | 0 | 109 | ||||
| 267 | H | 38.5 | Very low | 38.7 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -40.2 | 148.7 | -177.1 | -62.1 | -85.9 | 0 | 0 | 0 | 119.4 | ||||
| 268 | H | 37.7 | Very low | 39.6 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | -180 | 158.3 | 108 | -98.5 | -76.5 | 0 | 0 | 0 | 113.5 | |||||
| 269 | A | 42.5 | Very low | 40.2 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | -112.6 | 172.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 270 | P | 43.4 | Very low | 40.7 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | -151.2 | -145.1 | 104.4 | 45.5 | -25 | 0 | 0 | 0 | 114 | |||||
| 271 | P | 40.8 | Very low | 41.4 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | -126 | 179.1 | -126.9 | 28.4 | -1.5 | 0 | 0 | 0 | 116.7 | |||||
| 272 | P | 49.8 | Very low | 42.1 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | -90.2 | 155.8 | 178.8 | 35.5 | -36 | 0 | 0 | 0 | 115.1 | ||||
| 273 | L | 37.8 | Very low | 42.9 | Very low | 187 Ų | 187 | 121.7 Ų | 121.7 | 98% | 0.979 | 72% | 0.718 | S | S | * | * | trans | -138.1 | 163.5 | 168.5 | -80 | 174.5 | 0 | 0 | 0 | 111.2 | ||||
| 274 | A | 34.7 | Very low | 43.7 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | trans | -127.3 | 159.5 | -156.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 275 | S | 40.6 | Very low | 44.5 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | 61.9 | 126.5 | 158.1 | -61.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 276 | P | 38.6 | Very low | 45.3 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | -150.5 | 70.6 | 96.8 | 38.7 | -20.5 | 0 | 0 | 0 | 114.4 | |||||
| 277 | L | 43.3 | Very low | 46.7 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 60% | 0.602 | 68% | 0.675 | S | S | * | * | trans | -128.3 | 27.9 | -179.1 | -68.7 | 179.8 | 0 | 0 | 0 | 115.3 | S279 L280 K281 | L277-S279 PolarHBondContact O-N 2.86Å; L277-L280 HydrophobicContact CB-CB 4.27Å; L277-L280 HydrophobicContact CD2-CB 4.17Å; L277-L280 HydrophobicContact CD2-CD1 3.84Å; L277-L280 PolarHBondContact O-N 3.09Å; L277-K281 PolarHBondContact O-N 3.32Å | ||
| 278 | T | 48.8 | Very low | 48.2 | Very low | 115 Ų | 115 | 110.9 Ų | 110.9 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -55.4 | -36.8 | 172.6 | 38.2 | 0 | 0 | 0 | 0 | 112.8 | L280 | T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L280 PolarHBondContact O-N 3.42Å |
| 279 | S | 50 | Low | 49.4 | Very low | 107 Ų | 107 | 105 Ų | 105 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.3 | -20.1 | 176.6 | -49.1 | 0 | 0 | 0 | 0 | 114.5 | L277 | L277-S279 PolarHBondContact O-N 2.86Å |
| 280 | L | 49.8 | Very low | 50.7 | Low | 77 Ų | 77 | 103.7 Ų | 103.7 | 40% | 0.403 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -91.4 | -21.7 | 178.8 | -126.4 | 166 | 0 | 0 | 0 | 111.8 | L277 T278 C282 L283 L284 | L277-L280 HydrophobicContact CB-CB 4.27Å; L277-L280 HydrophobicContact CD2-CB 4.17Å; L277-L280 HydrophobicContact CD2-CD1 3.84Å; L277-L280 PolarHBondContact O-N 3.09Å; T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L280 PolarHBondContact O-N 3.42Å; L280-C282 VanDerWaalsContact C-N 3.32Å; L280-C282 PolarHBondContact O-N 2.98Å; L280-L283 HydrophobicContact CD2-CB 4.28Å; L280-L283 PolarHBondContact O-N 3.14Å; L280-L284 HydrophobicContact CD2-CD1 4.48Å; L280-L284 HydrophobicContact CD2-CG 4.21Å; L280-L284 WeakPolarHBondContact O-CG 3.35Å; L280-L284 PolarHBondContact O-N 2.95Å |
| 281 | K | 52.8 | Low | 52.3 | Low | 128 Ų | 128 | 103.6 Ų | 103.6 | 56% | 0.557 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -55.3 | -44.2 | 176.1 | -172.8 | 170.8 | -178.1 | -177.7 | 0 | 112.6 | L277 L283 L284 D285 | L277-K281 PolarHBondContact O-N 3.32Å; K281-L283 PolarHBondContact O-N 3.32Å; K281-L284 PolarHBondContact O-N 3.02Å; K281-D285 WeakPolarHBondContact CE-OD2 3.46Å; K281-D285 VanDerWaalsContact CG-OD2 3.32Å; K281-D285 WeakPolarHBondContact CG-OD2 3.41Å; K281-D285 WeakPolarHBondContact O-CB 3.44Å; K281-D285 PolarHBondContact O-N 3.06Å |
| 282 | C | 53.3 | Low | 54.1 | Low | 102 Ų | 102 | 104.2 Ų | 104.2 | 69% | 0.689 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.8 | -18.3 | 178.7 | -58.2 | 0 | 0 | 0 | 0 | 114.3 | L280 | L280-C282 VanDerWaalsContact C-N 3.32Å; L280-C282 PolarHBondContact O-N 2.98Å |
| 283 | L | 51.4 | Low | 55.4 | Low | 118 Ų | 118 | 101.9 Ų | 101.9 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -92.1 | -27.6 | 172.4 | -80.6 | 163.9 | 0 | 0 | 0 | 112.4 | L280 K281 S286 | L280-L283 HydrophobicContact CD2-CB 4.28Å; L280-L283 PolarHBondContact O-N 3.14Å; K281-L283 PolarHBondContact O-N 3.32Å; L283-S286 PolarHBondContact O-OG 3.42Å |
| 284 | L | 55.4 | Low | 57.4 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.3 | -35.4 | 173.5 | -69 | 166.8 | 0 | 0 | 0 | 112.1 | L280 K281 S286 L289 | L280-L284 HydrophobicContact CD2-CD1 4.48Å; L280-L284 HydrophobicContact CD2-CG 4.21Å; L280-L284 WeakPolarHBondContact O-CG 3.35Å; L280-L284 PolarHBondContact O-N 2.95Å; K281-L284 PolarHBondContact O-N 3.02Å; L284-S286 PolarHBondContact O-N 3.32Å; L284-L289 HydrophobicContact CD2-CD2 3.88Å |
| 285 | D | 54 | Low | 59.8 | Low | 103 Ų | 103 | 100.6 Ų | 100.6 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 9.3 | 177.4 | -65.9 | -23.5 | 0 | 0 | 0 | 113.2 | K281 P287 | K281-D285 WeakPolarHBondContact CE-OD2 3.46Å; K281-D285 VanDerWaalsContact CG-OD2 3.32Å; K281-D285 WeakPolarHBondContact CG-OD2 3.41Å; K281-D285 WeakPolarHBondContact O-CB 3.44Å; K281-D285 PolarHBondContact O-N 3.06Å; D285-P287 WeakPolarHBondContact O-CD 3.4Å |
| 286 | S | 53 | Low | 62 | Low | 40 Ų | 40 | 102.6 Ų | 102.6 | 28% | 0.28 | 56% | 0.555 | S | S | . | * | trans | -70.8 | 123.1 | 174.2 | -77 | 0 | 0 | 0 | 0 | 111.3 | L283 L284 S288 L289 T290 | L283-S286 PolarHBondContact O-OG 3.42Å; L284-S286 PolarHBondContact O-N 3.32Å; S286-S288 PolarHBondContact O-N 2.94Å; S286-L289 WeakPolarHBondContact O-CA 3.4Å; S286-L289 WeakPolarHBondContact O-CB 3.31Å; S286-L289 PolarHBondContact O-N 2.89Å; S286-T290 PolarHBondContact O-N 2.91Å; S286-T290 PolarHBondContact O-OG1 3.17Å | ||
| 287 | P | 64.8 | Low | 64.2 | Low | 87 Ų | 87 | 102.7 Ų | 102.7 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57 | -30 | -174.8 | -28.7 | 35.5 | 0 | 0 | 0 | 115 | D285 L289 T290 H291 | D285-P287 WeakPolarHBondContact O-CD 3.4Å; P287-L289 VanDerWaalsContact C-N 3.3Å; P287-L289 PolarHBondContact O-N 3.37Å; P287-T290 PolarHBondContact O-N 2.94Å; P287-H291 PolarHBondContact O-CD2 3.47Å; P287-H291 PolarHBondContact O-N 2.85Å |
| 288 | S | 69 | Low | 66.2 | Low | 94 Ų | 94 | 101.1 Ų | 101.1 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.4 | -28.8 | 174.8 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | S286 K292 | S286-S288 PolarHBondContact O-N 2.94Å; S288-K292 VanDerWaalsContact O-CB 3.23Å; S288-K292 WeakPolarHBondContact O-CB 3.47Å; S288-K292 PolarHBondContact O-N 3.34Å |
| 289 | L | 64.5 | Low | 68.2 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 37% | 0.366 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -77.5 | -44.3 | 170.9 | -165.7 | 72.9 | 0 | 0 | 0 | 110.3 | L284 S286 P287 H291 K292 T293 | L284-L289 HydrophobicContact CD2-CD2 3.88Å; S286-L289 WeakPolarHBondContact O-CA 3.4Å; S286-L289 WeakPolarHBondContact O-CB 3.31Å; S286-L289 PolarHBondContact O-N 2.89Å; P287-L289 VanDerWaalsContact C-N 3.3Å; P287-L289 PolarHBondContact O-N 3.37Å; L289-H291 PolarHBondContact O-N 3.34Å; L289-K292 CarbonylContact O-C 3.53Å; L289-K292 WeakPolarHBondContact O-CA 3.39Å; L289-K292 PolarHBondContact O-N 3.17Å; L289-T293 PolarHBondContact O-N 2.87Å; L289-T293 PolarHBondContact O-OG1 3.32Å |
| 290 | T | 69.8 | Low | 70.1 | Confident | 56 Ų | 56 | 101.7 Ų | 101.7 | 34% | 0.344 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 178.7 | -37.5 | 0 | 0 | 0 | 0 | 112.3 | S286 P287 K292 T293 Q294 | S286-T290 PolarHBondContact O-N 2.91Å; S286-T290 PolarHBondContact O-OG1 3.17Å; P287-T290 PolarHBondContact O-N 2.94Å; T290-K292 VanDerWaalsContact C-N 3.31Å; T290-K292 PolarHBondContact O-N 3.42Å; T290-T293 PolarHBondContact O-N 2.84Å; T290-T293 PolarHBondContact O-OG1 2.97Å; T290-Q294 VanDerWaalsContact O-CB 3.31Å; T290-Q294 WeakPolarHBondContact O-CB 3.41Å; T290-Q294 VanDerWaalsContact O-CG 3.27Å; T290-Q294 WeakPolarHBondContact O-CG 3.47Å; T290-Q294 PolarHBondContact O-N 3.14Å |
| 291 | H | 76.2 | Confident | 72 | Confident | 124 Ų | 124 | 101.6 Ų | 101.6 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.6 | -30.6 | 174.4 | -70.7 | -50.8 | 0 | 0 | 0 | 112.5 | P287 L289 F295 | P287-H291 PolarHBondContact O-CD2 3.47Å; P287-H291 PolarHBondContact O-N 2.85Å; L289-H291 PolarHBondContact O-N 3.34Å; H291-F295 WeakPolarHBondContact O-CB 3.15Å; H291-F295 PolarHBondContact O-N 3.3Å |
| 292 | K | 78 | Confident | 73.8 | Confident | 130 Ų | 130 | 103 Ų | 103 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -77.2 | -30.5 | 177.8 | -171.4 | 173.1 | -176.2 | 175.1 | 0 | 112.9 | S288 L289 T290 R296 | S288-K292 VanDerWaalsContact O-CB 3.23Å; S288-K292 WeakPolarHBondContact O-CB 3.47Å; S288-K292 PolarHBondContact O-N 3.34Å; L289-K292 CarbonylContact O-C 3.53Å; L289-K292 WeakPolarHBondContact O-CA 3.39Å; L289-K292 PolarHBondContact O-N 3.17Å; T290-K292 VanDerWaalsContact C-N 3.31Å; T290-K292 PolarHBondContact O-N 3.42Å; K292-R296 WeakPolarHBondContact O-CB 3.34Å; K292-R296 WeakPolarHBondContact O-CG 3.41Å; K292-R296 PolarHBondContact O-N 2.89Å |
| 293 | T | 78.4 | Confident | 75.7 | Confident | 71 Ų | 71 | 105.7 Ų | 105.7 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.9 | -49.4 | 169 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | L289 T290 F295 R296 E297 | L289-T293 PolarHBondContact O-N 2.87Å; L289-T293 PolarHBondContact O-OG1 3.32Å; T290-T293 PolarHBondContact O-N 2.84Å; T290-T293 PolarHBondContact O-OG1 2.97Å; T293-F295 VanDerWaalsContact C-N 3.32Å; T293-F295 PolarHBondContact O-N 3.4Å; T293-R296 CarbonylContact O-C 3.56Å; T293-R296 PolarHBondContact O-N 3.46Å; T293-R296 VanDerWaalsContact O-N 3.11Å; T293-E297 VanDerWaalsContact O-CB 3.27Å; T293-E297 WeakPolarHBondContact O-CB 3.46Å; T293-E297 PolarHBondContact O-N 2.91Å |
| 294 | Q | 79.6 | Confident | 77.6 | Confident | 103 Ų | 103 | 105.3 Ų | 105.3 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56 | -41.6 | 174.5 | -76 | 176.3 | -13.2 | 0 | 0 | 112.7 | T290 E297 S298 | T290-Q294 VanDerWaalsContact O-CB 3.31Å; T290-Q294 WeakPolarHBondContact O-CB 3.41Å; T290-Q294 VanDerWaalsContact O-CG 3.27Å; T290-Q294 WeakPolarHBondContact O-CG 3.47Å; T290-Q294 PolarHBondContact O-N 3.14Å; Q294-E297 PolarHBondContact O-N 3.23Å; Q294-S298 VanDerWaalsContact O-CB 3.23Å; Q294-S298 WeakPolarHBondContact O-CB 3.49Å; Q294-S298 PolarHBondContact O-N 3.14Å |
| 295 | F | 84.9 | Confident | 79.3 | Confident | 147 Ų | 147 | 104.6 Ų | 104.6 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 175.8 | -175.8 | -89 | 0 | 0 | 0 | 111.8 | H291 T293 E297 E299 | H291-F295 WeakPolarHBondContact O-CB 3.15Å; H291-F295 PolarHBondContact O-N 3.3Å; T293-F295 VanDerWaalsContact C-N 3.32Å; T293-F295 PolarHBondContact O-N 3.4Å; F295-E297 VanDerWaalsContact C-N 3.3Å; F295-E297 PolarHBondContact O-N 2.99Å; F295-E299 VanDerWaalsContact O-CB 3.29Å; F295-E299 WeakPolarHBondContact O-CB 3.44Å; F295-E299 PolarHBondContact O-N 3.35Å |
| 296 | R | 85.6 | Confident | 81.2 | Confident | 149 Ų | 149 | 102.4 Ų | 102.4 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -29.3 | 175.6 | -78.6 | 179.1 | 162.2 | -163 | -7.1 | 113.1 | K292 T293 R300 | K292-R296 WeakPolarHBondContact O-CB 3.34Å; K292-R296 WeakPolarHBondContact O-CG 3.41Å; K292-R296 PolarHBondContact O-N 2.89Å; T293-R296 CarbonylContact O-C 3.56Å; T293-R296 PolarHBondContact O-N 3.46Å; T293-R296 VanDerWaalsContact O-N 3.11Å; R296-R300 WeakPolarHBondContact O-CG 3.41Å; R296-R300 PolarHBondContact O-N 3.34Å |
| 297 | E | 85 | Confident | 83.1 | Confident | 121 Ų | 121 | 104.8 Ų | 104.8 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -75.4 | -47 | 176.8 | -171.3 | 154.3 | -125.3 | 0 | 0 | 110.9 | T293 Q294 F295 E299 R300 E301 | T293-E297 VanDerWaalsContact O-CB 3.27Å; T293-E297 WeakPolarHBondContact O-CB 3.46Å; T293-E297 PolarHBondContact O-N 2.91Å; Q294-E297 PolarHBondContact O-N 3.23Å; F295-E297 VanDerWaalsContact C-N 3.3Å; F295-E297 PolarHBondContact O-N 2.99Å; E297-E299 VanDerWaalsContact C-N 3.27Å; E297-E299 PolarHBondContact O-N 3.27Å; E297-R300 PolarHBondContact O-N 2.92Å; E297-R300 VanDerWaalsContact O-N 3.15Å; E297-E301 WeakPolarHBondContact O-CB 3.42Å; E297-E301 PolarHBondContact O-N 2.9Å |
| 298 | S | 86.6 | Confident | 84.3 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 57% | 0.573 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.4 | -36.8 | 168.5 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | Q294 E301 K302 | Q294-S298 VanDerWaalsContact O-CB 3.23Å; Q294-S298 WeakPolarHBondContact O-CB 3.49Å; Q294-S298 PolarHBondContact O-N 3.14Å; S298-E301 PolarHBondContact O-N 2.94Å; S298-K302 WeakPolarHBondContact O-CB 3.38Å; S298-K302 PolarHBondContact O-N 3.15Å |
| 299 | E | 89.5 | Confident | 85.4 | Confident | 76 Ų | 76 | 105 Ų | 105 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 174.4 | -165.2 | -169.6 | 176.6 | 0 | 0 | 112.2 | F295 E297 R303 | F295-E299 VanDerWaalsContact O-CB 3.29Å; F295-E299 WeakPolarHBondContact O-CB 3.44Å; F295-E299 PolarHBondContact O-N 3.35Å; E297-E299 VanDerWaalsContact C-N 3.27Å; E297-E299 PolarHBondContact O-N 3.27Å; E299-R303 VanDerWaalsContact O-CG 3.29Å; E299-R303 WeakPolarHBondContact O-CG 3.42Å; E299-R303 PolarHBondContact O-N 2.82Å; E299-R303 VanDerWaalsContact O-N 3.1Å; E299-R303 IonicContact OE1-CZ 3.56Å; E299-R303 IonicContact OE1-NE 3.69Å; E299-R303 IonicContact OE1-NH2 2.67Å; E299-R303 PolarHBondContact OE1-NH2 3.06Å; E299-R303 IonicContact OE2-NH2 4Å |
| 300 | R | 89.8 | Confident | 86.8 | Confident | 159 Ų | 159 | 106.5 Ų | 106.5 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 172.5 | -75.2 | -174 | -154.3 | 104.2 | -11.5 | 111.4 | R296 E297 R303 R304 | R296-R300 WeakPolarHBondContact O-CG 3.41Å; R296-R300 PolarHBondContact O-N 3.34Å; E297-R300 PolarHBondContact O-N 2.92Å; E297-R300 VanDerWaalsContact O-N 3.15Å; R300-R303 CarbonylContact O-C 3.57Å; R300-R303 WeakPolarHBondContact O-CA 3.27Å; R300-R303 WeakPolarHBondContact O-CB 3.23Å; R300-R303 PolarHBondContact O-N 3.45Å; R300-R303 VanDerWaalsContact O-N 3.1Å; R300-R304 PolarHBondContact O-N 3.02Å |
| 301 | E | 90.9 | Very high | 87.9 | Confident | 74 Ų | 74 | 110.8 Ų | 110.8 | 35% | 0.346 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | 179.9 | -173.9 | 55.3 | -157.9 | 0 | 0 | 111.3 | E297 S298 R303 R304 L305 | E297-E301 WeakPolarHBondContact O-CB 3.42Å; E297-E301 PolarHBondContact O-N 2.9Å; S298-E301 PolarHBondContact O-N 2.94Å; E301-R303 VanDerWaalsContact C-N 3.26Å; E301-R303 PolarHBondContact O-N 2.84Å; E301-R304 VanDerWaalsContact CD-NE 3.29Å; E301-R304 WeakPolarHBondContact O-CB 3.13Å; E301-R304 PolarHBondContact O-N 3.16Å; E301-R304 VanDerWaalsContact O-N 3.11Å; E301-R304 IonicContact OE1-CZ 3.25Å; E301-R304 VanDerWaalsContact OE1-CZ 3.25Å; E301-R304 IonicContact OE1-NE 2.94Å; E301-R304 PolarHBondContact OE1-NE 3.18Å; E301-R304 IonicContact OE1-NH2 2.66Å; E301-R304 PolarHBondContact OE1-NH2 2.96Å; E301-R304 WeakPolarHBondContact OE2-CD 3.36Å; E301-R304 IonicContact OE2-CZ 3.92Å; E301-R304 IonicContact OE2-NE 2.87Å; E301-R304 PolarHBondContact OE2-NE 3.21Å; E301-L305 HydrophobicContact CG-CD1 4Å; E301-L305 HydrophobicContact CG-CG 4.3Å; E301-L305 WeakPolarHBondContact O-CB 3.4Å; E301-L305 WeakPolarHBondContact O-CG 3.32Å; E301-L305 PolarHBondContact O-N 3.04Å; E301-L305 WeakPolarHBondContact OE1-CG 3.46Å |
| 302 | K | 90.5 | Very high | 88.7 | Confident | 158 Ų | 158 | 109.8 Ų | 109.8 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.5 | -38.3 | 169.1 | -179.6 | 177.1 | 178.1 | 178.7 | 0 | 112.1 | S298 A306 | S298-K302 WeakPolarHBondContact O-CB 3.38Å; S298-K302 PolarHBondContact O-N 3.15Å; K302-A306 VanDerWaalsContact O-CB 3.24Å; K302-A306 WeakPolarHBondContact O-CB 3.47Å; K302-A306 PolarHBondContact O-N 3.31Å |
| 303 | R | 92.1 | Very high | 89.4 | Confident | 158 Ų | 158 | 110 Ų | 110 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.1 | -37.6 | 174.2 | -66.1 | 169.6 | -167.9 | -160.6 | 5.1 | 112 | E299 R300 E301 A306 V307 | E299-R303 VanDerWaalsContact O-CG 3.29Å; E299-R303 WeakPolarHBondContact O-CG 3.42Å; E299-R303 PolarHBondContact O-N 2.82Å; E299-R303 VanDerWaalsContact O-N 3.1Å; E299-R303 IonicContact OE1-CZ 3.56Å; E299-R303 IonicContact OE1-NE 3.69Å; E299-R303 IonicContact OE1-NH2 2.67Å; E299-R303 PolarHBondContact OE1-NH2 3.06Å; E299-R303 IonicContact OE2-NH2 4Å; R300-R303 CarbonylContact O-C 3.57Å; R300-R303 WeakPolarHBondContact O-CA 3.27Å; R300-R303 WeakPolarHBondContact O-CB 3.23Å; R300-R303 PolarHBondContact O-N 3.45Å; R300-R303 VanDerWaalsContact O-N 3.1Å; E301-R303 VanDerWaalsContact C-N 3.26Å; E301-R303 PolarHBondContact O-N 2.84Å; R303-A306 PolarHBondContact O-N 3.23Å; R303-V307 WeakPolarHBondContact O-CG2 3.36Å; R303-V307 PolarHBondContact O-N 2.98Å; R303-V307 VanDerWaalsContact O-N 3.13Å |
| 304 | R | 91.9 | Very high | 90.1 | Very high | 111 Ų | 111 | 110.1 Ų | 110.1 | 42% | 0.419 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -51.8 | 174.9 | -160.9 | -167 | 71.2 | 67.2 | 15.5 | 110.6 | R300 E301 A306 V307 E308 | R300-R304 PolarHBondContact O-N 3.02Å; E301-R304 VanDerWaalsContact CD-NE 3.29Å; E301-R304 WeakPolarHBondContact O-CB 3.13Å; E301-R304 PolarHBondContact O-N 3.16Å; E301-R304 VanDerWaalsContact O-N 3.11Å; E301-R304 IonicContact OE1-CZ 3.25Å; E301-R304 VanDerWaalsContact OE1-CZ 3.25Å; E301-R304 IonicContact OE1-NE 2.94Å; E301-R304 PolarHBondContact OE1-NE 3.18Å; E301-R304 IonicContact OE1-NH2 2.66Å; E301-R304 PolarHBondContact OE1-NH2 2.96Å; E301-R304 WeakPolarHBondContact OE2-CD 3.36Å; E301-R304 IonicContact OE2-CZ 3.92Å; E301-R304 IonicContact OE2-NE 2.87Å; E301-R304 PolarHBondContact OE2-NE 3.21Å; R304-A306 VanDerWaalsContact C-N 3.32Å; R304-A306 PolarHBondContact O-N 2.92Å; R304-V307 PolarHBondContact O-N 2.96Å; R304-E308 IonicContact CZ-OE1 3.99Å; R304-E308 IonicContact CZ-OE2 2.81Å; R304-E308 IonicContact NH1-OE1 2.92Å; R304-E308 PolarHBondContact NH1-OE1 3.48Å; R304-E308 IonicContact NH1-OE2 2.74Å; R304-E308 PolarHBondContact NH1-OE2 3.37Å; R304-E308 IonicContact NH2-OE2 3.2Å; R304-E308 PolarHBondContact NH2-OE2 2.99Å; R304-E308 WeakPolarHBondContact O-CB 3.31Å; R304-E308 PolarHBondContact O-N 2.7Å |
| 305 | L | 92.2 | Very high | 90.7 | Very high | 84 Ų | 84 | 108.7 Ų | 108.7 | 44% | 0.44 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -33.4 | 176 | -68.8 | 170.6 | 0 | 0 | 0 | 112.7 | E301 E308 L309 | E301-L305 HydrophobicContact CG-CD1 4Å; E301-L305 HydrophobicContact CG-CG 4.3Å; E301-L305 WeakPolarHBondContact O-CB 3.4Å; E301-L305 WeakPolarHBondContact O-CG 3.32Å; E301-L305 PolarHBondContact O-N 3.04Å; E301-L305 WeakPolarHBondContact OE1-CG 3.46Å; L305-E308 PolarHBondContact O-N 2.91Å; L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 PolarHBondContact O-N 3.35Å |
| 306 | A | 92.2 | Very high | 91.1 | Very high | 56 Ų | 56 | 107.8 Ų | 107.8 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K302 R303 R304 E310 | K302-A306 VanDerWaalsContact O-CB 3.24Å; K302-A306 WeakPolarHBondContact O-CB 3.47Å; K302-A306 PolarHBondContact O-N 3.31Å; R303-A306 PolarHBondContact O-N 3.23Å; R304-A306 VanDerWaalsContact C-N 3.32Å; R304-A306 PolarHBondContact O-N 2.92Å; A306-E310 WeakPolarHBondContact O-CB 3.07Å; A306-E310 PolarHBondContact O-N 3.37Å |
| 307 | V | 93.6 | Very high | 91.4 | Very high | 90 Ų | 90 | 105.6 Ų | 105.6 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.2 | -35.7 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | R303 R304 K311 | R303-V307 WeakPolarHBondContact O-CG2 3.36Å; R303-V307 PolarHBondContact O-N 2.98Å; R303-V307 VanDerWaalsContact O-N 3.13Å; R304-V307 PolarHBondContact O-N 2.96Å; V307-K311 WeakPolarHBondContact O-CG 3.5Å; V307-K311 PolarHBondContact O-N 2.86Å; V307-K311 VanDerWaalsContact O-N 3.12Å |
| 308 | E | 90.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 105.9 Ų | 105.9 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 176.3 | -164.5 | 156.1 | -113.3 | 0 | 0 | 111.7 | R304 L305 K311 E312 | R304-E308 IonicContact CZ-OE1 3.99Å; R304-E308 IonicContact CZ-OE2 2.81Å; R304-E308 IonicContact NH1-OE1 2.92Å; R304-E308 PolarHBondContact NH1-OE1 3.48Å; R304-E308 IonicContact NH1-OE2 2.74Å; R304-E308 PolarHBondContact NH1-OE2 3.37Å; R304-E308 IonicContact NH2-OE2 3.2Å; R304-E308 PolarHBondContact NH2-OE2 2.99Å; R304-E308 WeakPolarHBondContact O-CB 3.31Å; R304-E308 PolarHBondContact O-N 2.7Å; L305-E308 PolarHBondContact O-N 2.91Å; E308-K311 PolarHBondContact O-N 3.24Å; E308-E312 WeakPolarHBondContact O-CB 3.46Å; E308-E312 PolarHBondContact O-N 2.91Å |
| 309 | L | 92.7 | Very high | 92.1 | Very high | 92 Ų | 92 | 104.3 Ų | 104.3 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -33.3 | 174.9 | -176.6 | 147.7 | 0 | 0 | 0 | 112.7 | L305 E312 R313 | L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 PolarHBondContact O-N 3.35Å; L309-E312 PolarHBondContact O-N 3.4Å; L309-R313 HydrophobicContact CD2-CG 4.48Å; L309-R313 WeakPolarHBondContact O-CG 3.24Å; L309-R313 PolarHBondContact O-N 3.16Å |
| 310 | E | 92.2 | Very high | 92.2 | Very high | 100 Ų | 100 | 106.5 Ų | 106.5 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.9 | -33.8 | 174.8 | -159.7 | 69.8 | 175.7 | 0 | 0 | 112 | A306 R313 V314 | A306-E310 WeakPolarHBondContact O-CB 3.07Å; A306-E310 PolarHBondContact O-N 3.37Å; E310-R313 WeakPolarHBondContact O-CB 3.24Å; E310-R313 PolarHBondContact O-N 3.14Å; E310-R313 WeakPolarHBondContact OE2-CD 3.45Å; E310-R313 IonicContact OE2-CZ 2.72Å; E310-R313 IonicContact OE2-NE 2.67Å; E310-R313 IonicContact OE2-NH1 3.33Å; E310-R313 PolarHBondContact OE2-NH1 3.13Å; E310-V314 WeakPolarHBondContact O-CG2 3.36Å; E310-V314 PolarHBondContact O-N 2.65Å |
| 311 | K | 93.8 | Very high | 92.3 | Very high | 146 Ų | 146 | 102.6 Ų | 102.6 | 64% | 0.635 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 169.3 | -72.8 | 175.5 | 178.1 | -173.2 | 0 | 112.2 | V307 E308 R313 V314 C315 | V307-K311 WeakPolarHBondContact O-CG 3.5Å; V307-K311 PolarHBondContact O-N 2.86Å; V307-K311 VanDerWaalsContact O-N 3.12Å; E308-K311 PolarHBondContact O-N 3.24Å; K311-R313 VanDerWaalsContact C-N 3.27Å; K311-R313 PolarHBondContact O-N 3.43Å; K311-V314 PolarHBondContact O-N 2.86Å; K311-C315 WeakPolarHBondContact O-CB 3.32Å; K311-C315 PolarHBondContact O-N 3.28Å |
| 312 | E | 91.9 | Very high | 92.5 | Very high | 104 Ų | 104 | 104.5 Ų | 104.5 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 175.3 | 174.7 | 61 | -159.9 | 0 | 0 | 111.8 | E308 L309 R316 | E308-E312 WeakPolarHBondContact O-CB 3.46Å; E308-E312 PolarHBondContact O-N 2.91Å; L309-E312 PolarHBondContact O-N 3.4Å; E312-R316 VanDerWaalsContact O-CB 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.41Å; E312-R316 PolarHBondContact O-N 3.36Å; E312-R316 IonicContact OE1-NH2 3.3Å |
| 313 | R | 93.3 | Very high | 92.6 | Very high | 133 Ų | 133 | 100 Ų | 100 | 50% | 0.502 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -51.8 | 170.6 | -78.3 | 166.4 | 166.4 | -179.5 | -6.4 | 112.5 | L309 E310 K311 C315 R316 D317 | L309-R313 HydrophobicContact CD2-CG 4.48Å; L309-R313 WeakPolarHBondContact O-CG 3.24Å; L309-R313 PolarHBondContact O-N 3.16Å; E310-R313 WeakPolarHBondContact O-CB 3.24Å; E310-R313 PolarHBondContact O-N 3.14Å; E310-R313 WeakPolarHBondContact OE2-CD 3.45Å; E310-R313 IonicContact OE2-CZ 2.72Å; E310-R313 IonicContact OE2-NE 2.67Å; E310-R313 IonicContact OE2-NH1 3.33Å; E310-R313 PolarHBondContact OE2-NH1 3.13Å; K311-R313 VanDerWaalsContact C-N 3.27Å; K311-R313 PolarHBondContact O-N 3.43Å; R313-C315 VanDerWaalsContact C-N 3.29Å; R313-C315 PolarHBondContact O-N 3.16Å; R313-R316 CarbonylContact O-C 3.57Å; R313-R316 WeakPolarHBondContact O-CA 3.44Å; R313-R316 WeakPolarHBondContact O-CB 3.48Å; R313-R316 PolarHBondContact O-N 3.18Å; R313-D317 VanDerWaalsContact O-CG 3.31Å; R313-D317 PolarHBondContact O-N 2.8Å |
| 314 | V | 92.7 | Very high | 92.5 | Very high | 74 Ų | 74 | 95.8 Ų | 95.8 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 178.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | E310 K311 R316 D317 E318 | E310-V314 WeakPolarHBondContact O-CG2 3.36Å; E310-V314 PolarHBondContact O-N 2.65Å; K311-V314 PolarHBondContact O-N 2.86Å; V314-R316 VanDerWaalsContact C-N 3.31Å; V314-R316 PolarHBondContact O-N 3.11Å; V314-D317 PolarHBondContact O-N 2.81Å; V314-E318 WeakPolarHBondContact O-CB 3.44Å; V314-E318 WeakPolarHBondContact O-CG 3.3Å; V314-E318 PolarHBondContact O-N 2.67Å |
| 315 | C | 93.1 | Very high | 92.6 | Very high | 73 Ų | 73 | 92.1 Ų | 92.1 | 49% | 0.493 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -35.2 | 175.9 | -168.8 | 0 | 0 | 0 | 0 | 112.5 | K311 R313 A319 | K311-C315 WeakPolarHBondContact O-CB 3.32Å; K311-C315 PolarHBondContact O-N 3.28Å; R313-C315 VanDerWaalsContact C-N 3.29Å; R313-C315 PolarHBondContact O-N 3.16Å; C315-A319 WeakPolarHBondContact O-CB 3.32Å; C315-A319 PolarHBondContact O-N 2.97Å |
| 316 | R | 92.4 | Very high | 92.6 | Very high | 129 Ų | 129 | 92.5 Ų | 92.5 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 172.3 | -175.5 | -179.1 | -51.7 | -155.1 | -3 | 112.6 | E312 R313 V314 E318 A319 E320 | E312-R316 VanDerWaalsContact O-CB 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.41Å; E312-R316 PolarHBondContact O-N 3.36Å; E312-R316 IonicContact OE1-NH2 3.3Å; R313-R316 CarbonylContact O-C 3.57Å; R313-R316 WeakPolarHBondContact O-CA 3.44Å; R313-R316 WeakPolarHBondContact O-CB 3.48Å; R313-R316 PolarHBondContact O-N 3.18Å; V314-R316 VanDerWaalsContact C-N 3.31Å; V314-R316 PolarHBondContact O-N 3.11Å; R316-E318 VanDerWaalsContact C-N 3.28Å; R316-E318 PolarHBondContact O-N 3.23Å; R316-A319 CarbonylContact O-C 3.56Å; R316-A319 PolarHBondContact O-N 3.44Å; R316-A319 VanDerWaalsContact O-N 3.1Å; R316-E320 WeakPolarHBondContact CD-OE1 3.35Å; R316-E320 HydrophobicContact CG-CG 4.25Å; R316-E320 WeakPolarHBondContact CG-OE1 3.3Å; R316-E320 WeakPolarHBondContact O-CB 3.47Å; R316-E320 WeakPolarHBondContact O-CG 3.38Å; R316-E320 PolarHBondContact O-N 2.98Å |
| 317 | D | 93 | Very high | 92.7 | Very high | 103 Ų | 103 | 98.3 Ų | 98.3 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 178.1 | -64.5 | -17.2 | 0 | 0 | 0 | 110.5 | R313 V314 S321 | R313-D317 VanDerWaalsContact O-CG 3.31Å; R313-D317 PolarHBondContact O-N 2.8Å; V314-D317 PolarHBondContact O-N 2.81Å; D317-S321 WeakPolarHBondContact O-CB 3.36Å; D317-S321 PolarHBondContact O-N 3.19Å |
| 318 | E | 92.4 | Very high | 92.7 | Very high | 127 Ų | 127 | 99.8 Ų | 99.8 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 170.2 | -74.1 | 175.5 | 179.6 | 0 | 0 | 112.4 | V314 R316 S321 L322 | V314-E318 WeakPolarHBondContact O-CB 3.44Å; V314-E318 WeakPolarHBondContact O-CG 3.3Å; V314-E318 PolarHBondContact O-N 2.67Å; R316-E318 VanDerWaalsContact C-N 3.28Å; R316-E318 PolarHBondContact O-N 3.23Å; E318-S321 WeakPolarHBondContact O-CB 3.37Å; E318-S321 PolarHBondContact O-N 3.21Å; E318-L322 WeakPolarHBondContact O-CB 3.11Å; E318-L322 PolarHBondContact O-N 2.97Å |
| 319 | A | 92.5 | Very high | 92.8 | Very high | 49 Ų | 49 | 101.1 Ų | 101.1 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | C315 R316 L322 V323 | C315-A319 WeakPolarHBondContact O-CB 3.32Å; C315-A319 PolarHBondContact O-N 2.97Å; R316-A319 CarbonylContact O-C 3.56Å; R316-A319 PolarHBondContact O-N 3.44Å; R316-A319 VanDerWaalsContact O-N 3.1Å; A319-L322 PolarHBondContact O-N 3.11Å; A319-V323 WeakPolarHBondContact O-CB 3.38Å; A319-V323 VanDerWaalsContact O-CG2 3.29Å; A319-V323 WeakPolarHBondContact O-CG2 3.29Å; A319-V323 PolarHBondContact O-N 2.96Å |
| 320 | E | 92.5 | Very high | 92.8 | Very high | 122 Ų | 122 | 102.6 Ų | 102.6 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.1 | -37.5 | 174.8 | -72.4 | -174.2 | -153.9 | 0 | 0 | 110.9 | R316 V323 S324 | R316-E320 WeakPolarHBondContact CD-OE1 3.35Å; R316-E320 HydrophobicContact CG-CG 4.25Å; R316-E320 WeakPolarHBondContact CG-OE1 3.3Å; R316-E320 WeakPolarHBondContact O-CB 3.47Å; R316-E320 WeakPolarHBondContact O-CG 3.38Å; R316-E320 PolarHBondContact O-N 2.98Å; E320-V323 PolarHBondContact O-N 2.94Å; E320-S324 WeakPolarHBondContact O-CB 3.1Å; E320-S324 PolarHBondContact O-N 3.23Å |
| 321 | S | 92.8 | Very high | 92.8 | Very high | 77 Ų | 77 | 104.8 Ų | 104.8 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 169.3 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | D317 E318 V323 S324 G325 | D317-S321 WeakPolarHBondContact O-CB 3.36Å; D317-S321 PolarHBondContact O-N 3.19Å; E318-S321 WeakPolarHBondContact O-CB 3.37Å; E318-S321 PolarHBondContact O-N 3.21Å; S321-V323 PolarHBondContact O-N 3.41Å; S321-S324 WeakPolarHBondContact O-CB 3.45Å; S321-S324 PolarHBondContact O-N 3.41Å; S321-S324 VanDerWaalsContact O-N 3.14Å; S321-S324 PolarHBondContact O-OG 2.79Å; S321-G325 PolarHBondContact O-N 3.01Å |
| 322 | L | 93.4 | Very high | 92.7 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 175.6 | -175.7 | 70.7 | 0 | 0 | 0 | 112 | E318 A319 S324 G325 L326 | E318-L322 WeakPolarHBondContact O-CB 3.11Å; E318-L322 PolarHBondContact O-N 2.97Å; A319-L322 PolarHBondContact O-N 3.11Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 3.06Å; L322-G325 PolarHBondContact O-N 3.23Å; L322-L326 HydrophobicContact CG-CD1 4.12Å; L322-L326 WeakPolarHBondContact O-CG 3.05Å; L322-L326 PolarHBondContact O-N 2.83Å |
| 323 | V | 92.6 | Very high | 92.7 | Very high | 64 Ų | 64 | 98.4 Ų | 98.4 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 175.9 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | A319 E320 S321 R327 | A319-V323 WeakPolarHBondContact O-CB 3.38Å; A319-V323 VanDerWaalsContact O-CG2 3.29Å; A319-V323 WeakPolarHBondContact O-CG2 3.29Å; A319-V323 PolarHBondContact O-N 2.96Å; E320-V323 PolarHBondContact O-N 2.94Å; S321-V323 PolarHBondContact O-N 3.41Å; V323-R327 HydrophobicContact CG1-CG 4.48Å; V323-R327 WeakPolarHBondContact O-CB 3.31Å; V323-R327 VanDerWaalsContact O-CG 3.27Å; V323-R327 WeakPolarHBondContact O-CG 3.4Å; V323-R327 PolarHBondContact O-N 3.31Å |
| 324 | S | 91.4 | Very high | 92.5 | Very high | 70 Ų | 70 | 94.6 Ų | 94.6 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 174.2 | 82.9 | 0 | 0 | 0 | 0 | 111.9 | E320 S321 L322 R327 K328 | E320-S324 WeakPolarHBondContact O-CB 3.1Å; E320-S324 PolarHBondContact O-N 3.23Å; S321-S324 WeakPolarHBondContact O-CB 3.45Å; S321-S324 PolarHBondContact O-N 3.41Å; S321-S324 VanDerWaalsContact O-N 3.14Å; S321-S324 PolarHBondContact O-OG 2.79Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 3.06Å; S324-R327 PolarHBondContact O-N 3.14Å; S324-K328 PolarHBondContact O-N 2.96Å |
| 325 | G | 92.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 93.8 Ų | 93.8 | 34% | 0.34 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S321 L322 K328 Q329 | S321-G325 PolarHBondContact O-N 3.01Å; L322-G325 PolarHBondContact O-N 3.23Å; G325-K328 PolarHBondContact O-N 3.16Å; G325-Q329 WeakPolarHBondContact O-CG 3.23Å; G325-Q329 PolarHBondContact O-N 3.13Å |
| 326 | L | 93.9 | Very high | 92.4 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.2 | -71.4 | 171.4 | 0 | 0 | 0 | 112.3 | L322 Q329 L330 | L322-L326 HydrophobicContact CG-CD1 4.12Å; L322-L326 WeakPolarHBondContact O-CG 3.05Å; L322-L326 PolarHBondContact O-N 2.83Å; L326-Q329 PolarHBondContact O-N 3.35Å; L326-L330 WeakPolarHBondContact O-CB 3.44Å; L326-L330 PolarHBondContact O-N 3.44Å |
| 327 | R | 93.1 | Very high | 92.2 | Very high | 178 Ų | 178 | 92.5 Ų | 92.5 | 67% | 0.672 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | 172.8 | -77.8 | 174.5 | -179 | 175.7 | 2.8 | 111.6 | V323 S324 Q329 L330 E331 | V323-R327 HydrophobicContact CG1-CG 4.48Å; V323-R327 WeakPolarHBondContact O-CB 3.31Å; V323-R327 VanDerWaalsContact O-CG 3.27Å; V323-R327 WeakPolarHBondContact O-CG 3.4Å; V323-R327 PolarHBondContact O-N 3.31Å; S324-R327 PolarHBondContact O-N 3.14Å; R327-Q329 PolarHBondContact O-N 2.92Å; R327-L330 PolarHBondContact O-N 2.68Å; R327-E331 WeakPolarHBondContact O-CB 3.44Å; R327-E331 PolarHBondContact O-N 2.91Å |
| 328 | K | 94.2 | Very high | 92.1 | Very high | 122 Ų | 122 | 91.5 Ų | 91.5 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.9 | -173.7 | 174.8 | -176.3 | -78 | 0 | 112.1 | S324 G325 L330 E331 E332 | S324-K328 PolarHBondContact O-N 2.96Å; G325-K328 PolarHBondContact O-N 3.16Å; K328-L330 VanDerWaalsContact C-N 3.33Å; K328-L330 PolarHBondContact O-N 3.28Å; K328-E331 PolarHBondContact O-N 3.38Å; K328-E332 IonicContact NZ-OE1 2.8Å; K328-E332 PolarHBondContact NZ-OE1 3.47Å; K328-E332 WeakPolarHBondContact O-CB 3.2Å; K328-E332 WeakPolarHBondContact O-CG 3.46Å; K328-E332 PolarHBondContact O-N 3.42Å |
| 329 | Q | 91.7 | Very high | 91.9 | Very high | 122 Ų | 122 | 89.9 Ų | 89.9 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -36.8 | 175.5 | -75.1 | 179.4 | -4.2 | 0 | 0 | 112.5 | G325 L326 R327 A333 | G325-Q329 WeakPolarHBondContact O-CG 3.23Å; G325-Q329 PolarHBondContact O-N 3.13Å; L326-Q329 PolarHBondContact O-N 3.35Å; R327-Q329 PolarHBondContact O-N 2.92Å; Q329-A333 WeakPolarHBondContact O-CB 3.36Å; Q329-A333 PolarHBondContact O-N 2.9Å |
| 330 | L | 92.3 | Very high | 91.7 | Very high | 124 Ų | 124 | 90.7 Ų | 90.7 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.7 | -42.7 | 174.8 | -179.1 | 63 | 0 | 0 | 0 | 111.9 | L326 R327 K328 A333 A334 | L326-L330 WeakPolarHBondContact O-CB 3.44Å; L326-L330 PolarHBondContact O-N 3.44Å; R327-L330 PolarHBondContact O-N 2.68Å; K328-L330 VanDerWaalsContact C-N 3.33Å; K328-L330 PolarHBondContact O-N 3.28Å; L330-A333 PolarHBondContact O-N 3.38Å; L330-A334 WeakPolarHBondContact O-CB 3.21Å; L330-A334 PolarHBondContact O-N 2.68Å |
| 331 | E | 92.6 | Very high | 91.5 | Very high | 146 Ų | 146 | 90.2 Ų | 90.2 | 68% | 0.682 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.2 | -45.4 | 176 | -174.6 | 172.5 | -149.2 | 0 | 0 | 111.6 | R327 K328 A333 A334 A335 | R327-E331 WeakPolarHBondContact O-CB 3.44Å; R327-E331 PolarHBondContact O-N 2.91Å; K328-E331 PolarHBondContact O-N 3.38Å; E331-A333 VanDerWaalsContact C-N 3.3Å; E331-A333 PolarHBondContact O-N 2.81Å; E331-A334 PolarHBondContact O-N 3.31Å; E331-A335 PolarHBondContact O-N 3.07Å |
| 332 | E | 91.6 | Very high | 91.3 | Very high | 72 Ų | 72 | 89.8 Ų | 89.8 | 34% | 0.336 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -34.5 | 171.7 | -74.3 | -178 | -157 | 0 | 0 | 113 | K328 R336 | K328-E332 IonicContact NZ-OE1 2.8Å; K328-E332 PolarHBondContact NZ-OE1 3.47Å; K328-E332 WeakPolarHBondContact O-CB 3.2Å; K328-E332 WeakPolarHBondContact O-CG 3.46Å; K328-E332 PolarHBondContact O-N 3.42Å; E332-R336 WeakPolarHBondContact O-CG 3.47Å; E332-R336 VanDerWaalsContact O-CZ 3.31Å; E332-R336 PolarHBondContact O-N 2.71Å; E332-R336 VanDerWaalsContact O-N 3.1Å; E332-R336 PolarHBondContact O-NE 2.95Å; E332-R336 IonicContact OE2-NH1 2.67Å; E332-R336 PolarHBondContact OE2-NH1 3.04Å; E332-R336 VanDerWaalsContact OE2-NH1 3.14Å; E332-R336 IonicContact OE2-NH2 3.86Å |
| 333 | A | 91.7 | Very high | 91.2 | Very high | 43 Ų | 43 | 91.1 Ų | 91.1 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.9 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q329 L330 E331 R336 A337 | Q329-A333 WeakPolarHBondContact O-CB 3.36Å; Q329-A333 PolarHBondContact O-N 2.9Å; L330-A333 PolarHBondContact O-N 3.38Å; E331-A333 VanDerWaalsContact C-N 3.3Å; E331-A333 PolarHBondContact O-N 2.81Å; A333-R336 PolarHBondContact O-N 3.3Å; A333-A337 WeakPolarHBondContact O-CB 3.1Å; A333-A337 PolarHBondContact O-N 2.96Å |
| 334 | A | 90.6 | Very high | 91 | Very high | 53 Ų | 53 | 90.4 Ų | 90.4 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | L330 E331 R336 A337 T338 | L330-A334 WeakPolarHBondContact O-CB 3.21Å; L330-A334 PolarHBondContact O-N 2.68Å; E331-A334 PolarHBondContact O-N 3.31Å; A334-R336 PolarHBondContact O-N 3.08Å; A334-A337 WeakPolarHBondContact O-CB 3.5Å; A334-A337 PolarHBondContact O-N 3.46Å; A334-A337 VanDerWaalsContact O-N 3.12Å; A334-T338 PolarHBondContact O-N 3.04Å; A334-T338 PolarHBondContact O-OG1 2.88Å |
| 335 | A | 92.9 | Very high | 90.9 | Very high | 58 Ų | 58 | 92.1 Ų | 92.1 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E331 A337 T338 E339 | E331-A335 PolarHBondContact O-N 3.07Å; A335-A337 VanDerWaalsContact C-N 3.34Å; A335-T338 PolarHBondContact O-N 2.93Å; A335-T338 PolarHBondContact O-OG1 3.25Å; A335-E339 WeakPolarHBondContact O-CB 3.36Å; A335-E339 PolarHBondContact O-N 3.43Å |
| 336 | R | 89.8 | Confident | 90.8 | Very high | 135 Ų | 135 | 97.7 Ų | 97.7 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -35 | 173.7 | -73.8 | -178.7 | -65.3 | -104.1 | -2.5 | 112.6 | E332 A333 A334 S340 | E332-R336 WeakPolarHBondContact O-CG 3.47Å; E332-R336 VanDerWaalsContact O-CZ 3.31Å; E332-R336 PolarHBondContact O-N 2.71Å; E332-R336 VanDerWaalsContact O-N 3.1Å; E332-R336 PolarHBondContact O-NE 2.95Å; E332-R336 IonicContact OE2-NH1 2.67Å; E332-R336 PolarHBondContact OE2-NH1 3.04Å; E332-R336 VanDerWaalsContact OE2-NH1 3.14Å; E332-R336 IonicContact OE2-NH2 3.86Å; A333-R336 PolarHBondContact O-N 3.3Å; A334-R336 PolarHBondContact O-N 3.08Å; R336-S340 WeakPolarHBondContact O-CB 3.45Å; R336-S340 PolarHBondContact O-N 3.49Å; R336-S340 PolarHBondContact O-OG 3.12Å |
| 337 | A | 88.7 | Confident | 90.7 | Very high | 39 Ų | 39 | 97.7 Ų | 97.7 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -52.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A333 A334 A335 E339 S340 E341 | A333-A337 WeakPolarHBondContact O-CB 3.1Å; A333-A337 PolarHBondContact O-N 2.96Å; A334-A337 WeakPolarHBondContact O-CB 3.5Å; A334-A337 PolarHBondContact O-N 3.46Å; A334-A337 VanDerWaalsContact O-N 3.12Å; A335-A337 VanDerWaalsContact C-N 3.34Å; A337-E339 VanDerWaalsContact C-N 3.28Å; A337-E339 PolarHBondContact O-N 2.72Å; A337-S340 CarbonylContact O-C 3.57Å; A337-S340 WeakPolarHBondContact O-CA 3.32Å; A337-S340 WeakPolarHBondContact O-CB 3.41Å; A337-S340 PolarHBondContact O-N 3.38Å; A337-S340 PolarHBondContact O-OG 3.2Å; A337-E341 WeakPolarHBondContact O-CG 3.5Å; A337-E341 PolarHBondContact O-N 3.25Å |
| 338 | T | 91.3 | Very high | 90.5 | Very high | 82 Ų | 82 | 92.6 Ų | 92.6 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -31.2 | 178.3 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | A334 A335 S342 | A334-T338 PolarHBondContact O-N 3.04Å; A334-T338 PolarHBondContact O-OG1 2.88Å; A335-T338 PolarHBondContact O-N 2.93Å; A335-T338 PolarHBondContact O-OG1 3.25Å; T338-S342 WeakPolarHBondContact O-CB 3.48Å; T338-S342 PolarHBondContact O-N 3.11Å; T338-S342 PolarHBondContact O-OG 2.93Å |
| 339 | E | 88.5 | Confident | 90.3 | Very high | 93 Ų | 93 | 95.9 Ų | 95.9 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 170.5 | -160.3 | -165.5 | 171.5 | 0 | 0 | 111.3 | A335 A337 S342 R343 | A335-E339 WeakPolarHBondContact O-CB 3.36Å; A335-E339 PolarHBondContact O-N 3.43Å; A337-E339 VanDerWaalsContact C-N 3.28Å; A337-E339 PolarHBondContact O-N 2.72Å; E339-S342 WeakPolarHBondContact CA-OG 3.46Å; E339-S342 PolarHBondContact O-OG 3.36Å; E339-R343 WeakPolarHBondContact O-CB 3.24Å; E339-R343 WeakPolarHBondContact O-CD 3.39Å; E339-R343 WeakPolarHBondContact O-CG 3.32Å; E339-R343 PolarHBondContact O-N 3.18Å; E339-R343 IonicContact OE1-CZ 3.51Å; E339-R343 VanDerWaalsContact OE1-CZ 3.24Å; E339-R343 IonicContact OE1-NE 3.69Å; E339-R343 PolarHBondContact OE1-NE 3.31Å; E339-R343 IonicContact OE1-NH2 2.62Å; E339-R343 PolarHBondContact OE1-NH2 2.95Å; E339-R343 IonicContact OE2-NH2 2.74Å |
| 340 | S | 88.2 | Confident | 90.2 | Very high | 67 Ų | 67 | 94 Ų | 94 | 47% | 0.469 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 176.4 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | R336 A337 A344 | R336-S340 WeakPolarHBondContact O-CB 3.45Å; R336-S340 PolarHBondContact O-N 3.49Å; R336-S340 PolarHBondContact O-OG 3.12Å; A337-S340 CarbonylContact O-C 3.57Å; A337-S340 WeakPolarHBondContact O-CA 3.32Å; A337-S340 WeakPolarHBondContact O-CB 3.41Å; A337-S340 PolarHBondContact O-N 3.38Å; A337-S340 PolarHBondContact O-OG 3.2Å; S340-A344 VanDerWaalsContact O-CB 3.31Å; S340-A344 WeakPolarHBondContact O-CB 3.43Å; S340-A344 PolarHBondContact O-N 3.43Å |
| 341 | E | 87.2 | Confident | 90.1 | Very high | 111 Ų | 111 | 93.1 Ų | 93.1 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 175.9 | -71.3 | 167.4 | 174.6 | 0 | 0 | 111.7 | A337 R343 A344 L345 | A337-E341 WeakPolarHBondContact O-CG 3.5Å; A337-E341 PolarHBondContact O-N 3.25Å; E341-R343 PolarHBondContact O-N 2.9Å; E341-A344 PolarHBondContact O-N 2.69Å; E341-L345 WeakPolarHBondContact O-CB 3.41Å; E341-L345 WeakPolarHBondContact O-CG 3.41Å; E341-L345 PolarHBondContact O-N 3.28Å |
| 342 | S | 90 | Very high | 90 | Very high | 68 Ų | 68 | 88.5 Ų | 88.5 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 176.2 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | T338 E339 R346 | T338-S342 WeakPolarHBondContact O-CB 3.48Å; T338-S342 PolarHBondContact O-N 3.11Å; T338-S342 PolarHBondContact O-OG 2.93Å; E339-S342 WeakPolarHBondContact CA-OG 3.46Å; E339-S342 PolarHBondContact O-OG 3.36Å; S342-R346 PolarHBondContact O-N 3.02Å |
| 343 | R | 90.8 | Very high | 90 | Very high | 141 Ų | 141 | 87.3 Ų | 87.3 | 53% | 0.532 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 169.6 | -72.3 | 167.4 | 177.2 | -140.7 | 8.2 | 111.8 | E339 E341 R346 L347 | E339-R343 WeakPolarHBondContact O-CB 3.24Å; E339-R343 WeakPolarHBondContact O-CD 3.39Å; E339-R343 WeakPolarHBondContact O-CG 3.32Å; E339-R343 PolarHBondContact O-N 3.18Å; E339-R343 IonicContact OE1-CZ 3.51Å; E339-R343 VanDerWaalsContact OE1-CZ 3.24Å; E339-R343 IonicContact OE1-NE 3.69Å; E339-R343 PolarHBondContact OE1-NE 3.31Å; E339-R343 IonicContact OE1-NH2 2.62Å; E339-R343 PolarHBondContact OE1-NH2 2.95Å; E339-R343 IonicContact OE2-NH2 2.74Å; E341-R343 PolarHBondContact O-N 2.9Å; R343-R346 PolarHBondContact O-N 3.44Å; R343-L347 WeakPolarHBondContact O-CG 3.27Å; R343-L347 PolarHBondContact O-N 2.8Å |
| 344 | A | 87.9 | Confident | 89.9 | Confident | 49 Ų | 49 | 90.4 Ų | 90.4 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S340 E341 R346 L347 S348 | S340-A344 VanDerWaalsContact O-CB 3.31Å; S340-A344 WeakPolarHBondContact O-CB 3.43Å; S340-A344 PolarHBondContact O-N 3.43Å; E341-A344 PolarHBondContact O-N 2.69Å; A344-R346 VanDerWaalsContact C-N 3.28Å; A344-R346 PolarHBondContact O-N 3.03Å; A344-L347 CarbonylContact O-C 3.59Å; A344-L347 PolarHBondContact O-N 3.48Å; A344-S348 PolarHBondContact O-N 2.88Å; A344-S348 PolarHBondContact O-OG 3.02Å; A344-S348 VanDerWaalsContact O-OG 3.09Å |
| 345 | L | 89.8 | Confident | 89.8 | Confident | 107 Ų | 107 | 94.1 Ų | 94.1 | 56% | 0.56 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -35 | 175.2 | -73.7 | 170.7 | 0 | 0 | 0 | 112.6 | E341 R349 | E341-L345 WeakPolarHBondContact O-CB 3.41Å; E341-L345 WeakPolarHBondContact O-CG 3.41Å; E341-L345 PolarHBondContact O-N 3.28Å; L345-R349 WeakPolarHBondContact O-CG 3.5Å; L345-R349 PolarHBondContact O-N 3.04Å |
| 346 | R | 89.7 | Confident | 89.6 | Confident | 150 Ų | 150 | 94.5 Ų | 94.5 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.6 | -47.3 | 173.8 | -155 | -172.6 | 72.7 | -153.1 | -2.5 | 111.2 | S342 R343 A344 S348 R349 E350 | S342-R346 PolarHBondContact O-N 3.02Å; R343-R346 PolarHBondContact O-N 3.44Å; A344-R346 VanDerWaalsContact C-N 3.28Å; A344-R346 PolarHBondContact O-N 3.03Å; R346-S348 VanDerWaalsContact C-N 3.29Å; R346-S348 PolarHBondContact O-N 2.96Å; R346-R349 WeakPolarHBondContact O-CB 3.49Å; R346-R349 PolarHBondContact O-N 2.94Å; R346-R349 VanDerWaalsContact O-N 3.08Å; R346-E350 WeakPolarHBondContact CD-OE1 3.32Å; R346-E350 WeakPolarHBondContact CG-OE1 3.31Å; R346-E350 IonicContact CZ-OE1 3.49Å; R346-E350 IonicContact NE-OE1 3.24Å; R346-E350 PolarHBondContact NE-OE1 2.89Å; R346-E350 IonicContact NH2-OE1 2.65Å; R346-E350 WeakPolarHBondContact O-CG 3.28Å; R346-E350 PolarHBondContact O-N 3.41Å |
| 347 | L | 92.3 | Very high | 89.7 | Confident | 91 Ų | 91 | 93 Ų | 93 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -35.9 | 174.8 | -70.6 | 169.1 | 0 | 0 | 0 | 112.5 | R343 A344 R349 E350 L351 | R343-L347 WeakPolarHBondContact O-CG 3.27Å; R343-L347 PolarHBondContact O-N 2.8Å; A344-L347 CarbonylContact O-C 3.59Å; A344-L347 PolarHBondContact O-N 3.48Å; L347-R349 VanDerWaalsContact C-N 3.35Å; L347-R349 PolarHBondContact O-N 2.92Å; L347-E350 PolarHBondContact O-N 2.86Å; L347-L351 WeakPolarHBondContact O-CB 3.32Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 3.45Å; L347-L351 PolarHBondContact O-N 3.12Å |
| 348 | S | 88.7 | Confident | 89.8 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | 173.7 | -60 | 0 | 0 | 0 | 0 | 112.9 | A344 R346 A352 | A344-S348 PolarHBondContact O-N 2.88Å; A344-S348 PolarHBondContact O-OG 3.02Å; A344-S348 VanDerWaalsContact O-OG 3.09Å; R346-S348 VanDerWaalsContact C-N 3.29Å; R346-S348 PolarHBondContact O-N 2.96Å; S348-A352 WeakPolarHBondContact O-CB 3.44Å; S348-A352 PolarHBondContact O-N 2.74Å |
| 349 | R | 90.2 | Very high | 89.8 | Confident | 191 Ų | 191 | 94.1 Ų | 94.1 | 72% | 0.721 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.6 | -40.8 | 173.6 | -67.8 | 170.9 | -172.8 | 179.5 | 2.2 | 111.8 | L345 R346 L347 A352 A353 | L345-R349 WeakPolarHBondContact O-CG 3.5Å; L345-R349 PolarHBondContact O-N 3.04Å; R346-R349 WeakPolarHBondContact O-CB 3.49Å; R346-R349 PolarHBondContact O-N 2.94Å; R346-R349 VanDerWaalsContact O-N 3.08Å; L347-R349 VanDerWaalsContact C-N 3.35Å; L347-R349 PolarHBondContact O-N 2.92Å; R349-A352 PolarHBondContact O-N 3.48Å; R349-A353 PolarHBondContact O-N 3.39Å |
| 350 | E | 90.3 | Very high | 89.7 | Confident | 81 Ų | 81 | 95.7 Ų | 95.7 | 38% | 0.379 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.1 | -69 | 166.5 | -148.7 | 0 | 0 | 110.8 | R346 L347 A353 L354 | R346-E350 WeakPolarHBondContact CD-OE1 3.32Å; R346-E350 WeakPolarHBondContact CG-OE1 3.31Å; R346-E350 IonicContact CZ-OE1 3.49Å; R346-E350 IonicContact NE-OE1 3.24Å; R346-E350 PolarHBondContact NE-OE1 2.89Å; R346-E350 IonicContact NH2-OE1 2.65Å; R346-E350 WeakPolarHBondContact O-CG 3.28Å; R346-E350 PolarHBondContact O-N 3.41Å; L347-E350 PolarHBondContact O-N 2.86Å; E350-A353 PolarHBondContact O-N 2.88Å; E350-L354 WeakPolarHBondContact O-CG 3.36Å; E350-L354 PolarHBondContact O-N 2.71Å |
| 351 | L | 89 | Confident | 89.8 | Confident | 106 Ų | 106 | 97.4 Ų | 97.4 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.8 | -38.2 | 174.3 | -76 | 169.3 | 0 | 0 | 0 | 113.3 | L347 L354 H355 | L347-L351 WeakPolarHBondContact O-CB 3.32Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 3.45Å; L347-L351 PolarHBondContact O-N 3.12Å; L351-L354 PolarHBondContact O-N 3.08Å; L351-H355 PolarHBondContact O-CD2 2.81Å; L351-H355 PolarHBondContact O-N 3.05Å |
| 352 | A | 91.2 | Very high | 89.9 | Confident | 49 Ų | 49 | 94 Ų | 94 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S348 R349 L354 H355 D356 | S348-A352 WeakPolarHBondContact O-CB 3.44Å; S348-A352 PolarHBondContact O-N 2.74Å; R349-A352 PolarHBondContact O-N 3.48Å; A352-L354 VanDerWaalsContact C-N 3.33Å; A352-L354 PolarHBondContact O-N 2.92Å; A352-H355 WeakPolarHBondContact O-CA 3.48Å; A352-H355 WeakPolarHBondContact O-CB 3.46Å; A352-H355 PolarHBondContact O-N 2.87Å; A352-H355 VanDerWaalsContact O-N 3.09Å; A352-D356 PolarHBondContact O-N 3.34Å |
| 353 | A | 91 | Very high | 89.8 | Confident | 47 Ų | 47 | 97 Ų | 97 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R349 E350 H355 Q357 | R349-A353 PolarHBondContact O-N 3.39Å; E350-A353 PolarHBondContact O-N 2.88Å; A353-H355 VanDerWaalsContact C-N 3.31Å; A353-Q357 WeakPolarHBondContact O-CB 3.38Å; A353-Q357 VanDerWaalsContact O-CG 3.28Å; A353-Q357 WeakPolarHBondContact O-CG 3.5Å; A353-Q357 PolarHBondContact O-N 3.39Å |
| 354 | L | 90.2 | Very high | 89.8 | Confident | 108 Ų | 108 | 93.9 Ų | 93.9 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.9 | -27.7 | 172.8 | -72.7 | 169.8 | 0 | 0 | 0 | 112.9 | E350 L351 A352 G358 | E350-L354 WeakPolarHBondContact O-CG 3.36Å; E350-L354 PolarHBondContact O-N 2.71Å; L351-L354 PolarHBondContact O-N 3.08Å; A352-L354 VanDerWaalsContact C-N 3.33Å; A352-L354 PolarHBondContact O-N 2.92Å; L354-G358 PolarHBondContact O-N 3.3Å |
| 355 | H | 88 | Confident | 89.8 | Confident | 131 Ų | 131 | 100 Ų | 100 | 61% | 0.606 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.1 | -49.7 | 171.1 | -99 | -75.3 | 0 | 0 | 0 | 111.9 | L351 A352 A353 Q357 G358 D359 | L351-H355 PolarHBondContact O-CD2 2.81Å; L351-H355 PolarHBondContact O-N 3.05Å; A352-H355 WeakPolarHBondContact O-CA 3.48Å; A352-H355 WeakPolarHBondContact O-CB 3.46Å; A352-H355 PolarHBondContact O-N 2.87Å; A352-H355 VanDerWaalsContact O-N 3.09Å; A353-H355 VanDerWaalsContact C-N 3.31Å; H355-Q357 VanDerWaalsContact C-N 3.29Å; H355-Q357 PolarHBondContact O-N 2.95Å; H355-G358 WeakPolarHBondContact O-CA 3.43Å; H355-G358 PolarHBondContact O-N 3.3Å; H355-D359 PolarHBondContact O-N 3.46Å |
| 356 | D | 89.8 | Confident | 89.9 | Confident | 67 Ų | 67 | 100 Ų | 100 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.1 | -43.6 | 175.7 | -70.2 | -48.1 | 0 | 0 | 0 | 110.2 | A352 G358 D359 E360 R1117 | A352-D356 PolarHBondContact O-N 3.34Å; D356-G358 VanDerWaalsContact C-N 3.34Å; D356-G358 PolarHBondContact O-N 3.45Å; D356-D359 PolarHBondContact O-N 3.21Å; D356-E360 WeakPolarHBondContact O-CG 3.42Å; D356-E360 PolarHBondContact O-N 3.34Å; D356-R1117 IonicContact OD1-CZ 3.18Å; D356-R1117 IonicContact OD1-NH2 2.87Å; D356-R1117 PolarHBondContact OD1-NH2 2.84Å |
| 357 | Q | 91.2 | Very high | 89.9 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -32.6 | 172.6 | -74.9 | 176.4 | 3.4 | 0 | 0 | 114 | A353 H355 L361 | A353-Q357 WeakPolarHBondContact O-CB 3.38Å; A353-Q357 VanDerWaalsContact O-CG 3.28Å; A353-Q357 WeakPolarHBondContact O-CG 3.5Å; A353-Q357 PolarHBondContact O-N 3.39Å; H355-Q357 VanDerWaalsContact C-N 3.29Å; H355-Q357 PolarHBondContact O-N 2.95Å; Q357-L361 WeakPolarHBondContact O-CB 3.5Å; Q357-L361 VanDerWaalsContact O-CG 3.3Å; Q357-L361 WeakPolarHBondContact O-CG 3.48Å; Q357-L361 PolarHBondContact O-N 3.41Å |
| 358 | G | 90.5 | Very high | 89.8 | Confident | 34 Ų | 34 | 97.4 Ų | 97.4 | 35% | 0.351 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L354 H355 D356 L361 A362 | L354-G358 PolarHBondContact O-N 3.3Å; H355-G358 WeakPolarHBondContact O-CA 3.43Å; H355-G358 PolarHBondContact O-N 3.3Å; D356-G358 VanDerWaalsContact C-N 3.34Å; D356-G358 PolarHBondContact O-N 3.45Å; G358-L361 PolarHBondContact O-N 3.42Å; G358-A362 WeakPolarHBondContact O-CB 3.49Å; G358-A362 PolarHBondContact O-N 3.35Å |
| 359 | D | 90.9 | Very high | 89.8 | Confident | 109 Ų | 109 | 96.7 Ų | 96.7 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.8 | -38.2 | 176.2 | -70.7 | -19.8 | 0 | 0 | 0 | 111.4 | H355 D356 A362 H363 | H355-D359 PolarHBondContact O-N 3.46Å; D356-D359 PolarHBondContact O-N 3.21Å; D359-A362 PolarHBondContact O-N 2.93Å; D359-H363 PolarHBondContact O-N 3.43Å |
| 360 | E | 87.7 | Confident | 89.8 | Confident | 126 Ų | 126 | 93.6 Ų | 93.6 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.7 | -46.9 | 169.4 | -75.2 | 176 | -178.2 | 0 | 0 | 111.9 | D356 A362 H363 C364 | D356-E360 WeakPolarHBondContact O-CG 3.42Å; D356-E360 PolarHBondContact O-N 3.34Å; E360-A362 VanDerWaalsContact C-N 3.31Å; E360-A362 PolarHBondContact O-N 3.03Å; E360-H363 PolarHBondContact O-N 3.09Å; E360-C364 PolarHBondContact O-N 3.5Å; E360-C364 PolarHBondContact O-SG 3.49Å; E360-C364 VanDerWaalsContact O-SG 3.35Å |
| 361 | L | 88.8 | Confident | 89.8 | Confident | 103 Ų | 103 | 95.6 Ų | 95.6 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -31.5 | 176.4 | -76.2 | 170.8 | 0 | 0 | 0 | 112.9 | Q357 G358 R365 | Q357-L361 WeakPolarHBondContact O-CB 3.5Å; Q357-L361 VanDerWaalsContact O-CG 3.3Å; Q357-L361 WeakPolarHBondContact O-CG 3.48Å; Q357-L361 PolarHBondContact O-N 3.41Å; G358-L361 PolarHBondContact O-N 3.42Å; L361-R365 VanDerWaalsContact O-CG 3.27Å; L361-R365 WeakPolarHBondContact O-CG 3.45Å; L361-R365 PolarHBondContact O-N 3.36Å; L361-R365 VanDerWaalsContact O-N 3.12Å |
| 362 | A | 89.8 | Confident | 89.9 | Confident | 41 Ų | 41 | 95.5 Ų | 95.5 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G358 D359 E360 R365 N366 | G358-A362 WeakPolarHBondContact O-CB 3.49Å; G358-A362 PolarHBondContact O-N 3.35Å; D359-A362 PolarHBondContact O-N 2.93Å; E360-A362 VanDerWaalsContact C-N 3.31Å; E360-A362 PolarHBondContact O-N 3.03Å; A362-R365 PolarHBondContact O-N 3.25Å; A362-N366 PolarHBondContact O-N 3.19Å; A362-N366 VanDerWaalsContact O-N 3.07Å |
| 363 | H | 88 | Confident | 89.8 | Confident | 130 Ų | 130 | 97.2 Ų | 97.2 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -47.8 | 175.3 | -171.3 | 48.6 | 0 | 0 | 0 | 111.7 | D359 E360 R365 N366 E367 | D359-H363 PolarHBondContact O-N 3.43Å; E360-H363 PolarHBondContact O-N 3.09Å; H363-R365 VanDerWaalsContact C-N 3.29Å; H363-R365 PolarHBondContact O-N 2.94Å; H363-N366 PolarHBondContact O-N 2.93Å; H363-N366 VanDerWaalsContact O-N 3.1Å; H363-E367 PolarHBondContact O-N 3.27Å |
| 364 | C | 90.3 | Very high | 89.8 | Confident | 75 Ų | 75 | 99.9 Ų | 99.9 | 51% | 0.507 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -34.4 | 176.3 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | E360 L368 | E360-C364 PolarHBondContact O-N 3.5Å; E360-C364 PolarHBondContact O-SG 3.49Å; E360-C364 VanDerWaalsContact O-SG 3.35Å; C364-L368 VanDerWaalsContact O-CB 3.31Å; C364-L368 WeakPolarHBondContact O-CB 3.39Å; C364-L368 PolarHBondContact O-N 2.98Å |
| 365 | R | 89.4 | Confident | 89.7 | Confident | 178 Ų | 178 | 98.5 Ų | 98.5 | 67% | 0.672 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.1 | -40.3 | 173.3 | -78.1 | 170.6 | 178.7 | 163 | 1.6 | 112.4 | L361 A362 H363 L368 A369 | L361-R365 VanDerWaalsContact O-CG 3.27Å; L361-R365 WeakPolarHBondContact O-CG 3.45Å; L361-R365 PolarHBondContact O-N 3.36Å; L361-R365 VanDerWaalsContact O-N 3.12Å; A362-R365 PolarHBondContact O-N 3.25Å; H363-R365 VanDerWaalsContact C-N 3.29Å; H363-R365 PolarHBondContact O-N 2.94Å; R365-L368 PolarHBondContact O-N 3.43Å; R365-A369 PolarHBondContact O-N 3.2Å |
| 366 | N | 91.7 | Very high | 89.9 | Confident | 107 Ų | 107 | 96.9 Ų | 96.9 | 57% | 0.572 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.3 | -40.5 | 177.2 | -68.3 | -12.1 | 0 | 0 | 0 | 111.2 | A362 H363 A369 L370 | A362-N366 PolarHBondContact O-N 3.19Å; A362-N366 VanDerWaalsContact O-N 3.07Å; H363-N366 PolarHBondContact O-N 2.93Å; H363-N366 VanDerWaalsContact O-N 3.1Å; N366-A369 PolarHBondContact O-N 3.27Å; N366-L370 WeakPolarHBondContact O-CG 3.36Å; N366-L370 PolarHBondContact O-N 2.87Å; N366-L370 VanDerWaalsContact O-N 3.14Å |
| 367 | E | 89.9 | Confident | 89.9 | Confident | 85 Ų | 85 | 97.4 Ų | 97.4 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 172.6 | -160.2 | -162.3 | 149.8 | 0 | 0 | 111 | H363 A369 L370 R371 | H363-E367 PolarHBondContact O-N 3.27Å; E367-A369 VanDerWaalsContact C-N 3.3Å; E367-A369 PolarHBondContact O-N 3.23Å; E367-L370 WeakPolarHBondContact O-CB 3.37Å; E367-L370 PolarHBondContact O-N 3.46Å; E367-R371 WeakPolarHBondContact O-CG 3.49Å; E367-R371 PolarHBondContact O-N 3.01Å; E367-R371 IonicContact OE1-CZ 2.66Å; E367-R371 VanDerWaalsContact OE1-CZ 3.24Å; E367-R371 IonicContact OE1-NE 3.18Å; E367-R371 PolarHBondContact OE1-NE 2.64Å; E367-R371 IonicContact OE1-NH2 3.25Å; E367-R371 PolarHBondContact OE1-NH2 2.83Å |
| 368 | L | 89.1 | Confident | 89.9 | Confident | 102 Ų | 102 | 96.3 Ų | 96.3 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 177.5 | -178.3 | 62.4 | 0 | 0 | 0 | 112.3 | C364 R365 L370 R371 E372 | C364-L368 VanDerWaalsContact O-CB 3.31Å; C364-L368 WeakPolarHBondContact O-CB 3.39Å; C364-L368 PolarHBondContact O-N 2.98Å; R365-L368 PolarHBondContact O-N 3.43Å; L368-L370 VanDerWaalsContact C-N 3.34Å; L368-L370 PolarHBondContact O-N 3.14Å; L368-R371 PolarHBondContact O-N 3.26Å; L368-E372 WeakPolarHBondContact O-CG 3.47Å; L368-E372 PolarHBondContact O-N 3.09Å |
| 369 | A | 88.9 | Confident | 90 | Very high | 56 Ų | 56 | 101.1 Ų | 101.1 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R365 N366 E367 E372 E373 | R365-A369 PolarHBondContact O-N 3.2Å; N366-A369 PolarHBondContact O-N 3.27Å; E367-A369 VanDerWaalsContact C-N 3.3Å; E367-A369 PolarHBondContact O-N 3.23Å; A369-E372 PolarHBondContact O-N 2.81Å; A369-E373 PolarHBondContact O-N 2.9Å |
| 370 | L | 90.3 | Very high | 90 | Very high | 126 Ų | 126 | 101.4 Ų | 101.4 | 66% | 0.66 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.3 | -41.8 | 172.7 | -68.1 | 169.9 | 0 | 0 | 0 | 111.6 | N366 E367 L368 E372 E373 E374 | N366-L370 WeakPolarHBondContact O-CG 3.36Å; N366-L370 PolarHBondContact O-N 2.87Å; N366-L370 VanDerWaalsContact O-N 3.14Å; E367-L370 WeakPolarHBondContact O-CB 3.37Å; E367-L370 PolarHBondContact O-N 3.46Å; L368-L370 VanDerWaalsContact C-N 3.34Å; L368-L370 PolarHBondContact O-N 3.14Å; L370-E372 VanDerWaalsContact C-N 3.34Å; L370-E372 PolarHBondContact O-N 3.06Å; L370-E373 PolarHBondContact O-N 3.35Å; L370-E374 WeakPolarHBondContact O-CB 3.42Å; L370-E374 PolarHBondContact O-N 2.87Å |
| 371 | R | 91.1 | Very high | 90.1 | Very high | 123 Ų | 123 | 102.9 Ų | 102.9 | 46% | 0.464 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 174.2 | -58.7 | -46.7 | -169.2 | 126.6 | 9.4 | 112.2 | E367 L368 E373 E374 I375 | E367-R371 WeakPolarHBondContact O-CG 3.49Å; E367-R371 PolarHBondContact O-N 3.01Å; E367-R371 IonicContact OE1-CZ 2.66Å; E367-R371 VanDerWaalsContact OE1-CZ 3.24Å; E367-R371 IonicContact OE1-NE 3.18Å; E367-R371 PolarHBondContact OE1-NE 2.64Å; E367-R371 IonicContact OE1-NH2 3.25Å; E367-R371 PolarHBondContact OE1-NH2 2.83Å; L368-R371 PolarHBondContact O-N 3.26Å; R371-E373 VanDerWaalsContact C-N 3.31Å; R371-E373 PolarHBondContact O-N 2.94Å; R371-E374 WeakPolarHBondContact CD-OE2 3.31Å; R371-E374 IonicContact NH1-OE2 2.71Å; R371-E374 PolarHBondContact O-N 3.5Å; R371-I375 WeakPolarHBondContact O-CB 3.37Å; R371-I375 WeakPolarHBondContact O-CD1 3.36Å; R371-I375 WeakPolarHBondContact O-CG1 3.21Å; R371-I375 PolarHBondContact O-N 2.93Å |
| 372 | E | 89.4 | Confident | 90.3 | Very high | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 175.5 | -78.6 | -173.2 | -172.1 | 0 | 0 | 112 | L368 A369 L370 K376 | L368-E372 WeakPolarHBondContact O-CG 3.47Å; L368-E372 PolarHBondContact O-N 3.09Å; A369-E372 PolarHBondContact O-N 2.81Å; L370-E372 VanDerWaalsContact C-N 3.34Å; L370-E372 PolarHBondContact O-N 3.06Å; E372-K376 WeakPolarHBondContact O-CE 3.34Å; E372-K376 WeakPolarHBondContact O-CG 3.42Å; E372-K376 PolarHBondContact O-N 3.3Å |
| 373 | E | 89.9 | Confident | 90.2 | Very high | 86 Ų | 86 | 105.6 Ų | 105.6 | 40% | 0.402 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.6 | -39.4 | 175.5 | -162.4 | 55.1 | -123.8 | 0 | 0 | 112.3 | A369 L370 R371 I375 K376 N377 | A369-E373 PolarHBondContact O-N 2.9Å; L370-E373 PolarHBondContact O-N 3.35Å; R371-E373 VanDerWaalsContact C-N 3.31Å; R371-E373 PolarHBondContact O-N 2.94Å; E373-I375 VanDerWaalsContact C-N 3.29Å; E373-I375 PolarHBondContact O-N 2.89Å; E373-K376 WeakPolarHBondContact O-CB 3.43Å; E373-K376 PolarHBondContact O-N 3.06Å; E373-K376 WeakPolarHBondContact OE2-CD 3.49Å; E373-K376 WeakPolarHBondContact OE2-CE 3.34Å; E373-K376 IonicContact OE2-NZ 2.91Å; E373-K376 PolarHBondContact OE2-NZ 3.49Å; E373-N377 PolarHBondContact O-N 2.85Å; E373-N377 PolarHBondContact O-ND2 2.9Å; E373-N377 PolarHBondContact OE1-ND2 3.36Å |
| 374 | E | 90.2 | Very high | 90.4 | Very high | 102 Ų | 102 | 101.3 Ų | 101.3 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.2 | -45.8 | 169.5 | -171.1 | -173.7 | -171.8 | 0 | 0 | 110.8 | L370 R371 K376 N377 L378 | L370-E374 WeakPolarHBondContact O-CB 3.42Å; L370-E374 PolarHBondContact O-N 2.87Å; R371-E374 WeakPolarHBondContact CD-OE2 3.31Å; R371-E374 IonicContact NH1-OE2 2.71Å; R371-E374 PolarHBondContact O-N 3.5Å; E374-K376 PolarHBondContact O-N 3.07Å; E374-N377 PolarHBondContact O-N 2.95Å; E374-L378 HydrophobicContact CG-CD1 4.08Å; E374-L378 WeakPolarHBondContact O-CB 3.47Å; E374-L378 WeakPolarHBondContact O-CG 3.47Å; E374-L378 PolarHBondContact O-N 3.48Å |
| 375 | I | 88.2 | Confident | 90.3 | Very high | 80 Ų | 80 | 103.3 Ų | 103.3 | 41% | 0.41 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -35 | 177.4 | -71.9 | 165 | 0 | 0 | 0 | 112.3 | R371 E373 K379 | R371-I375 WeakPolarHBondContact O-CB 3.37Å; R371-I375 WeakPolarHBondContact O-CD1 3.36Å; R371-I375 WeakPolarHBondContact O-CG1 3.21Å; R371-I375 PolarHBondContact O-N 2.93Å; E373-I375 VanDerWaalsContact C-N 3.29Å; E373-I375 PolarHBondContact O-N 2.89Å; I375-K379 HydrophobicContact CG2-CD 4.14Å; I375-K379 WeakPolarHBondContact O-CB 3.48Å; I375-K379 VanDerWaalsContact O-CG 3.24Å; I375-K379 WeakPolarHBondContact O-CG 3.29Å; I375-K379 PolarHBondContact O-N 2.96Å |
| 376 | K | 92.4 | Very high | 90.3 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 172.5 | -76.6 | 171.1 | -122.7 | 163.8 | 0 | 111.1 | E372 E373 E374 K379 L380 | E372-K376 WeakPolarHBondContact O-CE 3.34Å; E372-K376 WeakPolarHBondContact O-CG 3.42Å; E372-K376 PolarHBondContact O-N 3.3Å; E373-K376 WeakPolarHBondContact O-CB 3.43Å; E373-K376 PolarHBondContact O-N 3.06Å; E373-K376 WeakPolarHBondContact OE2-CD 3.49Å; E373-K376 WeakPolarHBondContact OE2-CE 3.34Å; E373-K376 IonicContact OE2-NZ 2.91Å; E373-K376 PolarHBondContact OE2-NZ 3.49Å; E374-K376 PolarHBondContact O-N 3.07Å; K376-K379 PolarHBondContact O-N 2.97Å; K376-L380 PolarHBondContact O-N 3.31Å |
| 377 | N | 91.2 | Very high | 90.3 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 179.1 | -75 | -74 | 0 | 0 | 0 | 112.4 | E373 E374 L380 R381 | E373-N377 PolarHBondContact O-N 2.85Å; E373-N377 PolarHBondContact O-ND2 2.9Å; E373-N377 PolarHBondContact OE1-ND2 3.36Å; E374-N377 PolarHBondContact O-N 2.95Å; N377-L380 PolarHBondContact O-N 2.95Å; N377-R381 WeakPolarHBondContact O-CB 3.21Å; N377-R381 PolarHBondContact O-N 2.78Å |
| 378 | L | 91.4 | Very high | 90.4 | Very high | 80 Ų | 80 | 101.2 Ų | 101.2 | 42% | 0.419 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 171 | -77 | 164.7 | 0 | 0 | 0 | 112 | E374 R381 V382 | E374-L378 HydrophobicContact CG-CD1 4.08Å; E374-L378 WeakPolarHBondContact O-CB 3.47Å; E374-L378 WeakPolarHBondContact O-CG 3.47Å; E374-L378 PolarHBondContact O-N 3.48Å; L378-R381 PolarHBondContact O-N 3.14Å; L378-V382 WeakPolarHBondContact O-CB 3.48Å; L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.39Å; L378-V382 PolarHBondContact O-N 3.44Å |
| 379 | K | 92.1 | Very high | 90.3 | Very high | 136 Ų | 136 | 100.9 Ų | 100.9 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 175.9 | -77.3 | 168.5 | -179.7 | 174 | 0 | 112.4 | I375 K376 R381 V382 M383 | I375-K379 HydrophobicContact CG2-CD 4.14Å; I375-K379 WeakPolarHBondContact O-CB 3.48Å; I375-K379 VanDerWaalsContact O-CG 3.24Å; I375-K379 WeakPolarHBondContact O-CG 3.29Å; I375-K379 PolarHBondContact O-N 2.96Å; K376-K379 PolarHBondContact O-N 2.97Å; K379-R381 VanDerWaalsContact C-N 3.34Å; K379-R381 PolarHBondContact O-N 2.69Å; K379-V382 PolarHBondContact O-N 2.88Å; K379-M383 WeakPolarHBondContact O-CG 3.46Å; K379-M383 PolarHBondContact O-N 2.82Å |
| 380 | L | 89.9 | Confident | 90.4 | Very high | 114 Ų | 114 | 100.8 Ų | 100.8 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 175 | -73 | 169 | 0 | 0 | 0 | 111.6 | K376 N377 M383 G384 | K376-L380 PolarHBondContact O-N 3.31Å; N377-L380 PolarHBondContact O-N 2.95Å; L380-M383 PolarHBondContact O-N 3.43Å; L380-G384 PolarHBondContact O-N 3.48Å |
| 381 | R | 90.8 | Very high | 90.4 | Very high | 158 Ų | 158 | 99.5 Ų | 99.5 | 60% | 0.596 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 176.7 | -161.6 | -176.3 | -62.3 | 165.8 | 1.2 | 112.5 | N377 L378 K379 G384 F385 | N377-R381 WeakPolarHBondContact O-CB 3.21Å; N377-R381 PolarHBondContact O-N 2.78Å; L378-R381 PolarHBondContact O-N 3.14Å; K379-R381 VanDerWaalsContact C-N 3.34Å; K379-R381 PolarHBondContact O-N 2.69Å; R381-G384 PolarHBondContact O-N 2.9Å; R381-F385 HydrophobicContact CG-CD2 4.13Å; R381-F385 HydrophobicContact CG-CE2 3.73Å; R381-F385 HydrophobicContact CG-CZ 4.49Å; R381-F385 VanDerWaalsContact O-CD2 3.23Å; R381-F385 WeakPolarHBondContact O-CD2 3.41Å; R381-F385 PolarHBondContact O-N 3.4Å |
| 382 | V | 92.2 | Very high | 90.4 | Very high | 89 Ų | 89 | 96.5 Ų | 96.5 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 174.9 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | L378 K379 F385 Q386 | L378-V382 WeakPolarHBondContact O-CB 3.48Å; L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.39Å; L378-V382 PolarHBondContact O-N 3.44Å; K379-V382 PolarHBondContact O-N 2.88Å; V382-F385 PolarHBondContact O-N 2.77Å; V382-Q386 WeakPolarHBondContact O-CB 3.48Å; V382-Q386 PolarHBondContact O-N 3.42Å |
| 383 | M | 88.9 | Confident | 90.6 | Very high | 111 Ų | 111 | 98.6 Ų | 98.6 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 171.5 | -73.1 | 175 | 58.7 | 0 | 0 | 111.3 | K379 L380 F385 Q386 D387 | K379-M383 WeakPolarHBondContact O-CG 3.46Å; K379-M383 PolarHBondContact O-N 2.82Å; L380-M383 PolarHBondContact O-N 3.43Å; M383-F385 VanDerWaalsContact C-N 3.33Å; M383-F385 PolarHBondContact O-N 2.96Å; M383-Q386 WeakPolarHBondContact O-CA 3.37Å; M383-Q386 WeakPolarHBondContact O-CB 3.14Å; M383-Q386 PolarHBondContact O-N 3.47Å; M383-D387 PolarHBondContact O-N 2.83Å |
| 384 | G | 90.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 100 Ų | 100 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L380 R381 Q386 D387 L388 | L380-G384 PolarHBondContact O-N 3.48Å; R381-G384 PolarHBondContact O-N 2.9Å; G384-Q386 VanDerWaalsContact C-N 3.34Å; G384-D387 PolarHBondContact O-N 3.41Å; G384-L388 WeakPolarHBondContact O-CB 3.38Å; G384-L388 PolarHBondContact O-N 2.82Å |
| 385 | F | 88.4 | Confident | 90.7 | Very high | 117 Ų | 117 | 99.3 Ų | 99.3 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -31.8 | 172.6 | -74.3 | -53.8 | 0 | 0 | 0 | 113.4 | R381 V382 M383 L388 M389 | R381-F385 HydrophobicContact CG-CD2 4.13Å; R381-F385 HydrophobicContact CG-CE2 3.73Å; R381-F385 HydrophobicContact CG-CZ 4.49Å; R381-F385 VanDerWaalsContact O-CD2 3.23Å; R381-F385 WeakPolarHBondContact O-CD2 3.41Å; R381-F385 PolarHBondContact O-N 3.4Å; V382-F385 PolarHBondContact O-N 2.77Å; M383-F385 VanDerWaalsContact C-N 3.33Å; M383-F385 PolarHBondContact O-N 2.96Å; F385-L388 HydrophobicContact CD1-CD2 4.46Å; F385-M389 WeakPolarHBondContact O-CB 3.27Å; F385-M389 WeakPolarHBondContact O-CG 3.48Å; F385-M389 PolarHBondContact O-N 3.11Å |
| 386 | Q | 90.4 | Very high | 90.9 | Very high | 123 Ų | 123 | 98.1 Ų | 98.1 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -70.7 | -40.2 | 176.6 | -174.3 | 169.8 | -4.6 | 0 | 0 | 111.9 | V382 M383 G384 M389 A390 | V382-Q386 WeakPolarHBondContact O-CB 3.48Å; V382-Q386 PolarHBondContact O-N 3.42Å; M383-Q386 WeakPolarHBondContact O-CA 3.37Å; M383-Q386 WeakPolarHBondContact O-CB 3.14Å; M383-Q386 PolarHBondContact O-N 3.47Å; G384-Q386 VanDerWaalsContact C-N 3.34Å; Q386-M389 PolarHBondContact O-N 2.87Å; Q386-A390 PolarHBondContact O-N 3.47Å |
| 387 | D | 91.3 | Very high | 90.8 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68 | -41.4 | 173.5 | -68.7 | -29.4 | 0 | 0 | 0 | 111.2 | M383 G384 M389 A390 H391 | M383-D387 PolarHBondContact O-N 2.83Å; G384-D387 PolarHBondContact O-N 3.41Å; D387-M389 PolarHBondContact O-N 3.08Å; D387-A390 WeakPolarHBondContact O-CB 3.48Å; D387-A390 PolarHBondContact O-N 2.66Å; D387-A390 VanDerWaalsContact O-N 3.13Å; D387-H391 PolarHBondContact O-N 3.25Å |
| 388 | L | 91.3 | Very high | 90.8 | Very high | 92 Ų | 92 | 99 Ų | 99 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 172.7 | -178.3 | 61.1 | 0 | 0 | 0 | 111.5 | G384 F385 A390 H391 T392 | G384-L388 WeakPolarHBondContact O-CB 3.38Å; G384-L388 PolarHBondContact O-N 2.82Å; F385-L388 HydrophobicContact CD1-CD2 4.46Å; L388-A390 VanDerWaalsContact C-N 3.29Å; L388-A390 PolarHBondContact O-N 3.25Å; L388-H391 WeakPolarHBondContact O-CB 3.27Å; L388-H391 PolarHBondContact O-N 2.82Å; L388-H391 VanDerWaalsContact O-N 3.16Å; L388-T392 PolarHBondContact O-N 3.04Å; L388-T392 PolarHBondContact O-OG1 3.08Å; L388-T392 VanDerWaalsContact O-OG1 3.07Å |
| 389 | M | 87 | Confident | 90.9 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 47% | 0.473 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -34.5 | 173.8 | -81.8 | -167.8 | -71.3 | 0 | 0 | 113.1 | F385 Q386 D387 R393 | F385-M389 WeakPolarHBondContact O-CB 3.27Å; F385-M389 WeakPolarHBondContact O-CG 3.48Å; F385-M389 PolarHBondContact O-N 3.11Å; Q386-M389 PolarHBondContact O-N 2.87Å; D387-M389 PolarHBondContact O-N 3.08Å; M389-R393 WeakPolarHBondContact O-CG 3.22Å; M389-R393 PolarHBondContact O-N 3.4Å; M389-R393 VanDerWaalsContact O-N 3.13Å |
| 390 | A | 91.3 | Very high | 90.9 | Very high | 53 Ų | 53 | 98.3 Ų | 98.3 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q386 D387 L388 K394 | Q386-A390 PolarHBondContact O-N 3.47Å; D387-A390 WeakPolarHBondContact O-CB 3.48Å; D387-A390 PolarHBondContact O-N 2.66Å; D387-A390 VanDerWaalsContact O-N 3.13Å; L388-A390 VanDerWaalsContact C-N 3.29Å; L388-A390 PolarHBondContact O-N 3.25Å; A390-K394 PolarHBondContact O-N 2.67Å |
| 391 | H | 90.3 | Very high | 91 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 174 | -169.4 | -102.1 | 0 | 0 | 0 | 112.2 | D387 L388 R393 K394 L395 | D387-H391 PolarHBondContact O-N 3.25Å; L388-H391 WeakPolarHBondContact O-CB 3.27Å; L388-H391 PolarHBondContact O-N 2.82Å; L388-H391 VanDerWaalsContact O-N 3.16Å; H391-R393 PolarHBondContact O-N 3.18Å; H391-K394 WeakPolarHBondContact O-CB 3.43Å; H391-K394 PolarHBondContact O-N 2.73Å; H391-K394 VanDerWaalsContact O-N 3.07Å; H391-L395 PolarHBondContact O-N 2.99Å |
| 392 | T | 92 | Very high | 91.1 | Very high | 60 Ų | 60 | 94.7 Ų | 94.7 | 37% | 0.368 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L388 K394 L395 E396 | L388-T392 PolarHBondContact O-N 3.04Å; L388-T392 PolarHBondContact O-OG1 3.08Å; L388-T392 VanDerWaalsContact O-OG1 3.07Å; T392-K394 VanDerWaalsContact C-N 3.28Å; T392-K394 PolarHBondContact O-N 3.32Å; T392-L395 PolarHBondContact O-N 3.17Å; T392-L395 VanDerWaalsContact O-N 3.12Å; T392-E396 WeakPolarHBondContact O-CG 3.47Å; T392-E396 PolarHBondContact O-N 2.82Å |
| 393 | R | 93.3 | Very high | 91.1 | Very high | 148 Ų | 148 | 94.1 Ų | 94.1 | 56% | 0.558 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.7 | -32.6 | 175.9 | -70 | 175.5 | -159.5 | 138.5 | 8.5 | 113.1 | M389 H391 E396 M397 | M389-R393 WeakPolarHBondContact O-CG 3.22Å; M389-R393 PolarHBondContact O-N 3.4Å; M389-R393 VanDerWaalsContact O-N 3.13Å; H391-R393 PolarHBondContact O-N 3.18Å; R393-E396 PolarHBondContact O-N 2.83Å; R393-M397 WeakPolarHBondContact O-CG 3.44Å; R393-M397 PolarHBondContact O-N 3.37Å; R393-M397 VanDerWaalsContact O-N 3.1Å |
| 394 | K | 91.5 | Very high | 91.3 | Very high | 116 Ų | 116 | 94.1 Ų | 94.1 | 50% | 0.504 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 172.6 | -178 | -171.4 | 171.4 | -72.9 | 0 | 110.5 | A390 H391 T392 E396 M397 E398 | A390-K394 PolarHBondContact O-N 2.67Å; H391-K394 WeakPolarHBondContact O-CB 3.43Å; H391-K394 PolarHBondContact O-N 2.73Å; H391-K394 VanDerWaalsContact O-N 3.07Å; T392-K394 VanDerWaalsContact C-N 3.28Å; T392-K394 PolarHBondContact O-N 3.32Å; K394-E396 VanDerWaalsContact C-N 3.33Å; K394-E396 PolarHBondContact O-N 3.07Å; K394-M397 PolarHBondContact O-N 3.38Å; K394-E398 IonicContact NZ-OE2 2.81Å; K394-E398 PolarHBondContact NZ-OE2 3.38Å; K394-E398 WeakPolarHBondContact O-CB 3.44Å; K394-E398 PolarHBondContact O-N 3.05Å |
| 395 | L | 91.5 | Very high | 91.4 | Very high | 87 Ų | 87 | 97.5 Ų | 97.5 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.5 | -33.8 | 176.9 | -65.7 | 177.7 | 0 | 0 | 0 | 112.6 | H391 T392 K399 | H391-L395 PolarHBondContact O-N 2.99Å; T392-L395 PolarHBondContact O-N 3.17Å; T392-L395 VanDerWaalsContact O-N 3.12Å; L395-K399 WeakPolarHBondContact O-CB 3.43Å; L395-K399 PolarHBondContact O-N 3.32Å |
| 396 | E | 91 | Very high | 91.5 | Very high | 56 Ų | 56 | 95.8 Ų | 95.8 | 26% | 0.262 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 173 | -73.6 | -173.4 | 116.2 | 0 | 0 | 112.2 | T392 R393 K394 I400 Q699 | T392-E396 WeakPolarHBondContact O-CG 3.47Å; T392-E396 PolarHBondContact O-N 2.82Å; R393-E396 PolarHBondContact O-N 2.83Å; K394-E396 VanDerWaalsContact C-N 3.33Å; K394-E396 PolarHBondContact O-N 3.07Å; E396-I400 WeakPolarHBondContact O-CD1 3.24Å; E396-I400 VanDerWaalsContact O-CG1 3.29Å; E396-I400 WeakPolarHBondContact O-CG1 3.31Å; E396-I400 PolarHBondContact O-N 3.12Å; E396-I400 VanDerWaalsContact O-N 3.07Å; E396-Q699 PolarHBondContact OE1-NE2 3.16Å |
| 397 | M | 90 | Very high | 91.6 | Very high | 108 Ų | 108 | 94 Ų | 94 | 53% | 0.532 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 173.1 | -72.9 | -61.1 | -49.6 | 0 | 0 | 111.6 | R393 K394 K399 I400 D401 | R393-M397 WeakPolarHBondContact O-CG 3.44Å; R393-M397 PolarHBondContact O-N 3.37Å; R393-M397 VanDerWaalsContact O-N 3.1Å; K394-M397 PolarHBondContact O-N 3.38Å; M397-K399 VanDerWaalsContact C-N 3.26Å; M397-K399 PolarHBondContact O-N 3.08Å; M397-I400 WeakPolarHBondContact O-CA 3.46Å; M397-I400 WeakPolarHBondContact O-CB 3.36Å; M397-I400 PolarHBondContact O-N 3.37Å; M397-D401 PolarHBondContact O-N 2.87Å |
| 398 | E | 92.1 | Very high | 91.7 | Very high | 86 Ų | 86 | 93.3 Ų | 93.3 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.5 | -37.3 | 179.1 | -167.4 | 166.9 | 160.5 | 0 | 0 | 111.8 | K394 D401 L402 | K394-E398 IonicContact NZ-OE2 2.81Å; K394-E398 PolarHBondContact NZ-OE2 3.38Å; K394-E398 WeakPolarHBondContact O-CB 3.44Å; K394-E398 PolarHBondContact O-N 3.05Å; E398-D401 PolarHBondContact O-N 3.38Å; E398-L402 WeakPolarHBondContact O-CB 3.44Å; E398-L402 VanDerWaalsContact O-CG 3.31Å; E398-L402 WeakPolarHBondContact O-CG 3.31Å; E398-L402 PolarHBondContact O-N 3.48Å |
| 399 | K | 93.3 | Very high | 91.8 | Very high | 114 Ų | 114 | 93.1 Ų | 93.1 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.8 | -34.9 | 171.7 | 179.4 | -178.2 | 174.9 | -173.2 | 0 | 113.3 | L395 M397 Q403 | L395-K399 WeakPolarHBondContact O-CB 3.43Å; L395-K399 PolarHBondContact O-N 3.32Å; M397-K399 VanDerWaalsContact C-N 3.26Å; M397-K399 PolarHBondContact O-N 3.08Å; K399-Q403 VanDerWaalsContact O-CB 3.23Å; K399-Q403 WeakPolarHBondContact O-CB 3.4Å; K399-Q403 PolarHBondContact O-N 2.84Å |
| 400 | I | 93.2 | Very high | 92.1 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 45% | 0.446 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 175.6 | -71.6 | 162.8 | 0 | 0 | 0 | 110.1 | E396 M397 Q403 Q404 | E396-I400 WeakPolarHBondContact O-CD1 3.24Å; E396-I400 VanDerWaalsContact O-CG1 3.29Å; E396-I400 WeakPolarHBondContact O-CG1 3.31Å; E396-I400 PolarHBondContact O-N 3.12Å; E396-I400 VanDerWaalsContact O-N 3.07Å; M397-I400 WeakPolarHBondContact O-CA 3.46Å; M397-I400 WeakPolarHBondContact O-CB 3.36Å; M397-I400 PolarHBondContact O-N 3.37Å; I400-Q403 PolarHBondContact O-N 3.38Å; I400-Q404 PolarHBondContact O-N 3.07Å |
| 401 | D | 91.4 | Very high | 92.3 | Very high | 103 Ų | 103 | 98.9 Ų | 98.9 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.1 | -47.6 | 177.7 | -65.6 | -27.2 | 0 | 0 | 0 | 111 | M397 E398 Q403 Q404 E405 | M397-D401 PolarHBondContact O-N 2.87Å; E398-D401 PolarHBondContact O-N 3.38Å; D401-Q403 VanDerWaalsContact C-N 3.32Å; D401-Q403 PolarHBondContact O-N 3.39Å; D401-Q404 PolarHBondContact O-N 3.38Å; D401-E405 PolarHBondContact O-N 3.19Å |
| 402 | L | 93.1 | Very high | 92.5 | Very high | 93 Ų | 93 | 99.9 Ų | 99.9 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 173.8 | -72.9 | 169.6 | 0 | 0 | 0 | 112.9 | E398 E405 C406 | E398-L402 WeakPolarHBondContact O-CB 3.44Å; E398-L402 VanDerWaalsContact O-CG 3.31Å; E398-L402 WeakPolarHBondContact O-CG 3.31Å; E398-L402 PolarHBondContact O-N 3.48Å; L402-E405 PolarHBondContact O-N 2.96Å; L402-C406 PolarHBondContact O-N 3.12Å; L402-C406 PolarHBondContact O-SG 2.87Å |
| 403 | Q | 91.9 | Very high | 92.5 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 175 | -177.8 | 166.3 | 15.6 | 0 | 0 | 111.7 | K399 I400 D401 C406 E407 | K399-Q403 VanDerWaalsContact O-CB 3.23Å; K399-Q403 WeakPolarHBondContact O-CB 3.4Å; K399-Q403 PolarHBondContact O-N 2.84Å; I400-Q403 PolarHBondContact O-N 3.38Å; D401-Q403 VanDerWaalsContact C-N 3.32Å; D401-Q403 PolarHBondContact O-N 3.39Å; Q403-C406 PolarHBondContact O-N 3.37Å; Q403-E407 PolarHBondContact O-N 3.42Å; Q403-E407 VanDerWaalsContact O-N 3.14Å |
| 404 | Q | 92.7 | Very high | 92.5 | Very high | 112 Ų | 112 | 97.1 Ų | 97.1 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 173.4 | -174.2 | 62 | 53.7 | 0 | 0 | 111.2 | I400 D401 C406 E407 D408 | I400-Q404 PolarHBondContact O-N 3.07Å; D401-Q404 PolarHBondContact O-N 3.38Å; Q404-C406 VanDerWaalsContact C-N 3.27Å; Q404-C406 PolarHBondContact O-N 3.08Å; Q404-E407 PolarHBondContact O-N 2.92Å; Q404-D408 PolarHBondContact NE2-OD1 3.28Å; Q404-D408 WeakPolarHBondContact O-CB 3.44Å; Q404-D408 PolarHBondContact O-N 2.75Å |
| 405 | E | 91.9 | Very high | 92.5 | Very high | 111 Ų | 111 | 97 Ų | 97 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 174.7 | -175.3 | 173.3 | -169.6 | 0 | 0 | 111.6 | D401 L402 D408 L409 | D401-E405 PolarHBondContact O-N 3.19Å; L402-E405 PolarHBondContact O-N 2.96Å; E405-D408 PolarHBondContact O-N 2.95Å; E405-L409 HydrophobicContact CG-CD1 4.03Å; E405-L409 HydrophobicContact CG-CG 4.41Å; E405-L409 VanDerWaalsContact O-CB 3.32Å; E405-L409 WeakPolarHBondContact O-CB 3.48Å; E405-L409 VanDerWaalsContact O-CG 3.24Å; E405-L409 WeakPolarHBondContact O-CG 3.44Å; E405-L409 PolarHBondContact O-N 2.94Å |
| 406 | C | 91.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 98.2 Ų | 98.2 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | L402 Q403 Q404 R410 | L402-C406 PolarHBondContact O-N 3.12Å; L402-C406 PolarHBondContact O-SG 2.87Å; Q403-C406 PolarHBondContact O-N 3.37Å; Q404-C406 VanDerWaalsContact C-N 3.27Å; Q404-C406 PolarHBondContact O-N 3.08Å; C406-R410 VanDerWaalsContact O-CB 3.31Å; C406-R410 WeakPolarHBondContact O-CB 3.48Å; C406-R410 PolarHBondContact O-N 2.85Å |
| 407 | E | 92.8 | Very high | 92.6 | Very high | 86 Ų | 86 | 99 Ų | 99 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.7 | -33.9 | 177.6 | -64.3 | -66.8 | 177.3 | 0 | 0 | 112 | Q403 Q404 R410 L411 | Q403-E407 PolarHBondContact O-N 3.42Å; Q403-E407 VanDerWaalsContact O-N 3.14Å; Q404-E407 PolarHBondContact O-N 2.92Å; E407-R410 WeakPolarHBondContact O-CB 3.46Å; E407-R410 PolarHBondContact O-N 3.31Å; E407-R410 IonicContact OE1-NH1 3.7Å; E407-R410 PolarHBondContact OE1-NH1 2.86Å; E407-R410 WeakPolarHBondContact OE2-CD 3.21Å; E407-R410 IonicContact OE2-CZ 3.19Å; E407-R410 IonicContact OE2-NE 2.79Å; E407-R410 IonicContact OE2-NH1 2.68Å; E407-R410 PolarHBondContact OE2-NH1 2.91Å; E407-R410 VanDerWaalsContact OE2-NH1 3.17Å; E407-L411 WeakPolarHBondContact O-CB 3.3Å; E407-L411 PolarHBondContact O-N 3.05Å |
| 408 | D | 92.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 171.9 | -79.2 | 9.8 | 0 | 0 | 0 | 111.3 | Q404 E405 K412 | Q404-D408 PolarHBondContact NE2-OD1 3.28Å; Q404-D408 WeakPolarHBondContact O-CB 3.44Å; Q404-D408 PolarHBondContact O-N 2.75Å; E405-D408 PolarHBondContact O-N 2.95Å; D408-K412 WeakPolarHBondContact O-CB 3.37Å; D408-K412 PolarHBondContact O-N 3.45Å |
| 409 | L | 94.1 | Very high | 92.7 | Very high | 87 Ų | 87 | 97.9 Ų | 97.9 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 173.5 | -75.3 | 171.8 | 0 | 0 | 0 | 111.8 | E405 K412 V413 | E405-L409 HydrophobicContact CG-CD1 4.03Å; E405-L409 HydrophobicContact CG-CG 4.41Å; E405-L409 VanDerWaalsContact O-CB 3.32Å; E405-L409 WeakPolarHBondContact O-CB 3.48Å; E405-L409 VanDerWaalsContact O-CG 3.24Å; E405-L409 WeakPolarHBondContact O-CG 3.44Å; E405-L409 PolarHBondContact O-N 2.94Å; L409-K412 WeakPolarHBondContact O-CB 3.26Å; L409-K412 PolarHBondContact O-N 2.82Å; L409-V413 WeakPolarHBondContact O-CG2 3.39Å; L409-V413 PolarHBondContact O-N 2.94Å |
| 410 | R | 93.6 | Very high | 92.5 | Very high | 148 Ų | 148 | 97.6 Ų | 97.6 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62 | -47.4 | 175.8 | -174.6 | -169.6 | -169.8 | 163.4 | 5.3 | 111.9 | C406 E407 K412 V413 D414 | C406-R410 VanDerWaalsContact O-CB 3.31Å; C406-R410 WeakPolarHBondContact O-CB 3.48Å; C406-R410 PolarHBondContact O-N 2.85Å; E407-R410 WeakPolarHBondContact O-CB 3.46Å; E407-R410 PolarHBondContact O-N 3.31Å; E407-R410 IonicContact OE1-NH1 3.7Å; E407-R410 PolarHBondContact OE1-NH1 2.86Å; E407-R410 WeakPolarHBondContact OE2-CD 3.21Å; E407-R410 IonicContact OE2-CZ 3.19Å; E407-R410 IonicContact OE2-NE 2.79Å; E407-R410 IonicContact OE2-NH1 2.68Å; E407-R410 PolarHBondContact OE2-NH1 2.91Å; E407-R410 VanDerWaalsContact OE2-NH1 3.17Å; R410-K412 VanDerWaalsContact C-N 3.26Å; R410-K412 PolarHBondContact O-N 2.8Å; R410-V413 CarbonylContact O-C 3.5Å; R410-V413 WeakPolarHBondContact O-CA 3.45Å; R410-V413 WeakPolarHBondContact O-CB 3.35Å; R410-V413 PolarHBondContact O-N 3.06Å; R410-V413 VanDerWaalsContact O-N 3.08Å; R410-D414 PolarHBondContact O-N 3.13Å |
| 411 | L | 94 | Very high | 92.4 | Very high | 123 Ų | 123 | 100.2 Ų | 100.2 | 64% | 0.644 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -36.1 | 177.6 | -173.8 | 147.5 | 0 | 0 | 0 | 111.5 | E407 D414 Q415 | E407-L411 WeakPolarHBondContact O-CB 3.3Å; E407-L411 PolarHBondContact O-N 3.05Å; L411-D414 PolarHBondContact O-N 2.8Å; L411-Q415 WeakPolarHBondContact O-CB 3.34Å; L411-Q415 PolarHBondContact O-N 3.5Å |
| 412 | K | 94 | Very high | 92.4 | Very high | 119 Ų | 119 | 99.7 Ų | 99.7 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 172.1 | -173.4 | 179.6 | 179.9 | -177.6 | 0 | 112.4 | D408 L409 R410 Q415 Q416 | D408-K412 WeakPolarHBondContact O-CB 3.37Å; D408-K412 PolarHBondContact O-N 3.45Å; L409-K412 WeakPolarHBondContact O-CB 3.26Å; L409-K412 PolarHBondContact O-N 2.82Å; R410-K412 VanDerWaalsContact C-N 3.26Å; R410-K412 PolarHBondContact O-N 2.8Å; K412-Q415 PolarHBondContact O-N 3.36Å; K412-Q416 WeakPolarHBondContact O-CG 3.4Å; K412-Q416 PolarHBondContact O-N 2.75Å |
| 413 | V | 93.6 | Very high | 92.2 | Very high | 74 Ų | 74 | 101 Ų | 101 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 172.7 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | L409 R410 Q415 Q416 L417 | L409-V413 WeakPolarHBondContact O-CG2 3.39Å; L409-V413 PolarHBondContact O-N 2.94Å; R410-V413 CarbonylContact O-C 3.5Å; R410-V413 WeakPolarHBondContact O-CA 3.45Å; R410-V413 WeakPolarHBondContact O-CB 3.35Å; R410-V413 PolarHBondContact O-N 3.06Å; R410-V413 VanDerWaalsContact O-N 3.08Å; V413-Q415 VanDerWaalsContact C-N 3.3Å; V413-Q415 PolarHBondContact O-N 3.4Å; V413-Q416 CarbonylContact O-C 3.6Å; V413-Q416 PolarHBondContact O-N 2.91Å; V413-Q416 VanDerWaalsContact O-N 3.12Å; V413-L417 HydrophobicContact CG1-CD1 3.96Å; V413-L417 HydrophobicContact CG1-CG 4.23Å; V413-L417 WeakPolarHBondContact O-CB 3.47Å; V413-L417 WeakPolarHBondContact O-CG 3.44Å; V413-L417 PolarHBondContact O-N 2.94Å |
| 414 | D | 92 | Very high | 92.2 | Very high | 77 Ų | 77 | 104.4 Ų | 104.4 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -32.6 | 176.7 | -87.4 | -44.2 | 0 | 0 | 0 | 112.8 | R410 L411 S418 | R410-D414 PolarHBondContact O-N 3.13Å; L411-D414 PolarHBondContact O-N 2.8Å; D414-S418 WeakPolarHBondContact O-CB 3.29Å; D414-S418 PolarHBondContact O-N 3.13Å; D414-S418 PolarHBondContact O-OG 3.48Å |
| 415 | Q | 92.8 | Very high | 92.1 | Very high | 114 Ų | 114 | 104.1 Ų | 104.1 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 169.5 | -171.9 | -179.9 | 55.6 | 0 | 0 | 111.5 | L411 K412 V413 S418 Q419 | L411-Q415 WeakPolarHBondContact O-CB 3.34Å; L411-Q415 PolarHBondContact O-N 3.5Å; K412-Q415 PolarHBondContact O-N 3.36Å; V413-Q415 VanDerWaalsContact C-N 3.3Å; V413-Q415 PolarHBondContact O-N 3.4Å; Q415-S418 WeakPolarHBondContact O-CB 3.23Å; Q415-S418 PolarHBondContact O-N 2.8Å; Q415-Q419 WeakPolarHBondContact O-CG 3.27Å; Q415-Q419 PolarHBondContact O-N 3.17Å |
| 416 | Q | 92.7 | Very high | 92 | Very high | 112 Ų | 112 | 105.2 Ų | 105.2 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 176.5 | -74.5 | 179.8 | -32.6 | 0 | 0 | 112.5 | K412 V413 S418 Q419 L420 | K412-Q416 WeakPolarHBondContact O-CG 3.4Å; K412-Q416 PolarHBondContact O-N 2.75Å; V413-Q416 CarbonylContact O-C 3.6Å; V413-Q416 PolarHBondContact O-N 2.91Å; V413-Q416 VanDerWaalsContact O-N 3.12Å; Q416-S418 VanDerWaalsContact C-N 3.27Å; Q416-S418 PolarHBondContact O-N 3.19Å; Q416-Q419 PolarHBondContact O-N 3.02Å; Q416-L420 WeakPolarHBondContact O-CB 3.26Å; Q416-L420 PolarHBondContact O-N 3.42Å |
| 417 | L | 91.9 | Very high | 91.9 | Very high | 72 Ų | 72 | 107.9 Ų | 107.9 | 38% | 0.377 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 173.7 | -71.7 | 174.4 | 0 | 0 | 0 | 111.8 | V413 L420 R421 | V413-L417 HydrophobicContact CG1-CD1 3.96Å; V413-L417 HydrophobicContact CG1-CG 4.23Å; V413-L417 WeakPolarHBondContact O-CB 3.47Å; V413-L417 WeakPolarHBondContact O-CG 3.44Å; V413-L417 PolarHBondContact O-N 2.94Å; L417-L420 PolarHBondContact O-N 3.18Å; L417-R421 WeakPolarHBondContact O-CB 3.34Å; L417-R421 WeakPolarHBondContact O-CG 3.33Å; L417-R421 PolarHBondContact O-N 3.06Å; L417-R421 PolarHBondContact O-NE 3.38Å |
| 418 | S | 91.5 | Very high | 91.8 | Very high | 56 Ų | 56 | 107.2 Ų | 107.2 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | D414 Q415 Q416 L420 R421 E422 | D414-S418 WeakPolarHBondContact O-CB 3.29Å; D414-S418 PolarHBondContact O-N 3.13Å; D414-S418 PolarHBondContact O-OG 3.48Å; Q415-S418 WeakPolarHBondContact O-CB 3.23Å; Q415-S418 PolarHBondContact O-N 2.8Å; Q416-S418 VanDerWaalsContact C-N 3.27Å; Q416-S418 PolarHBondContact O-N 3.19Å; S418-L420 VanDerWaalsContact C-N 3.34Å; S418-R421 PolarHBondContact O-N 3.35Å; S418-R421 PolarHBondContact OG-NH2 3.12Å; S418-E422 PolarHBondContact O-N 3.46Å |
| 419 | Q | 91.4 | Very high | 91.7 | Very high | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 172.4 | -69 | 174.1 | 6 | 0 | 0 | 111.9 | Q415 Q416 E422 F423 | Q415-Q419 WeakPolarHBondContact O-CG 3.27Å; Q415-Q419 PolarHBondContact O-N 3.17Å; Q416-Q419 PolarHBondContact O-N 3.02Å; Q419-E422 PolarHBondContact O-N 3.32Å; Q419-F423 WeakPolarHBondContact O-CB 3.48Å; Q419-F423 PolarHBondContact O-N 3.08Å |
| 420 | L | 90.7 | Very high | 91.4 | Very high | 108 Ų | 108 | 107 Ų | 107 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -38.7 | 177.1 | -174.7 | 63.3 | 0 | 0 | 0 | 112.1 | Q416 L417 S418 F423 K424 | Q416-L420 WeakPolarHBondContact O-CB 3.26Å; Q416-L420 PolarHBondContact O-N 3.42Å; L417-L420 PolarHBondContact O-N 3.18Å; S418-L420 VanDerWaalsContact C-N 3.34Å; L420-F423 PolarHBondContact O-N 3.33Å; L420-K424 WeakPolarHBondContact O-CB 3.37Å; L420-K424 PolarHBondContact O-N 2.85Å |
| 421 | R | 90.6 | Very high | 91.3 | Very high | 142 Ų | 142 | 103.6 Ų | 103.6 | 54% | 0.536 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 170.5 | -79.3 | -178.3 | -72 | -107.5 | 2.9 | 111 | L417 S418 F423 K424 E425 | L417-R421 WeakPolarHBondContact O-CB 3.34Å; L417-R421 WeakPolarHBondContact O-CG 3.33Å; L417-R421 PolarHBondContact O-N 3.06Å; L417-R421 PolarHBondContact O-NE 3.38Å; S418-R421 PolarHBondContact O-N 3.35Å; S418-R421 PolarHBondContact OG-NH2 3.12Å; R421-F423 PolarHBondContact O-N 3.35Å; R421-K424 PolarHBondContact O-N 2.95Å; R421-E425 PolarHBondContact O-N 2.86Å |
| 422 | E | 90.3 | Very high | 91.1 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 178.3 | -154.4 | -151.3 | 151.5 | 0 | 0 | 111.7 | S418 Q419 K424 E425 R426 | S418-E422 PolarHBondContact O-N 3.46Å; Q419-E422 PolarHBondContact O-N 3.32Å; E422-K424 VanDerWaalsContact C-N 3.34Å; E422-K424 PolarHBondContact O-N 2.84Å; E422-E425 PolarHBondContact O-N 3.48Å; E422-R426 VanDerWaalsContact O-CG 3.29Å; E422-R426 WeakPolarHBondContact O-CG 3.43Å; E422-R426 PolarHBondContact O-N 2.89Å; E422-R426 IonicContact OE1-CZ 2.59Å; E422-R426 IonicContact OE1-NE 3.29Å; E422-R426 PolarHBondContact OE1-NE 2.93Å; E422-R426 IonicContact OE1-NH2 3.9Å; E422-R426 PolarHBondContact OE1-NH2 3.31Å; E422-R426 IonicContact OE2-CZ 3.87Å; E422-R426 IonicContact OE2-NH2 2.62Å; E422-R426 PolarHBondContact OE2-NH2 3.1Å |
| 423 | F | 89 | Confident | 91 | Very high | 121 Ų | 121 | 101 Ų | 101 | 53% | 0.531 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 176 | -172.6 | -94.1 | 0 | 0 | 0 | 112.3 | Q419 L420 R421 R426 R427 | Q419-F423 WeakPolarHBondContact O-CB 3.48Å; Q419-F423 PolarHBondContact O-N 3.08Å; L420-F423 PolarHBondContact O-N 3.33Å; R421-F423 PolarHBondContact O-N 3.35Å; F423-R426 PolarHBondContact O-N 2.9Å; F423-R427 WeakPolarHBondContact O-CB 3.41Å; F423-R427 PolarHBondContact O-N 3.46Å |
| 424 | K | 92.1 | Very high | 90.8 | Very high | 148 Ų | 148 | 101.7 Ų | 101.7 | 64% | 0.643 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.7 | -41.7 | 174.9 | -170.9 | 172.4 | -177.7 | 175 | 0 | 111.6 | L420 R421 E422 R427 V428 | L420-K424 WeakPolarHBondContact O-CB 3.37Å; L420-K424 PolarHBondContact O-N 2.85Å; R421-K424 PolarHBondContact O-N 2.95Å; E422-K424 VanDerWaalsContact C-N 3.34Å; E422-K424 PolarHBondContact O-N 2.84Å; K424-R427 PolarHBondContact O-N 3.4Å; K424-V428 WeakPolarHBondContact O-CG2 3.43Å; K424-V428 PolarHBondContact O-N 3.04Å |
| 425 | E | 90.3 | Very high | 90.8 | Very high | 106 Ų | 106 | 103.2 Ų | 103.2 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 174.2 | -165.8 | -169.3 | 149 | 0 | 0 | 111.8 | R421 E422 V428 K429 | R421-E425 PolarHBondContact O-N 2.86Å; E422-E425 PolarHBondContact O-N 3.48Å; E425-V428 PolarHBondContact O-N 3.12Å; E425-K429 HydrophobicContact CG-CD 4.47Å; E425-K429 WeakPolarHBondContact O-CG 3.38Å; E425-K429 PolarHBondContact O-N 3.01Å; E425-K429 WeakPolarHBondContact OE1-CE 3.45Å; E425-K429 IonicContact OE1-NZ 2.68Å; E425-K429 PolarHBondContact OE1-NZ 2.92Å |
| 426 | R | 90.7 | Very high | 90.8 | Very high | 133 Ų | 133 | 103 Ų | 103 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 171.6 | -66.8 | 173.4 | -166 | 170.8 | 2.1 | 111.5 | E422 F423 V428 K429 C430 | E422-R426 VanDerWaalsContact O-CG 3.29Å; E422-R426 WeakPolarHBondContact O-CG 3.43Å; E422-R426 PolarHBondContact O-N 2.89Å; E422-R426 IonicContact OE1-CZ 2.59Å; E422-R426 IonicContact OE1-NE 3.29Å; E422-R426 PolarHBondContact OE1-NE 2.93Å; E422-R426 IonicContact OE1-NH2 3.9Å; E422-R426 PolarHBondContact OE1-NH2 3.31Å; E422-R426 IonicContact OE2-CZ 3.87Å; E422-R426 IonicContact OE2-NH2 2.62Å; E422-R426 PolarHBondContact OE2-NH2 3.1Å; F423-R426 PolarHBondContact O-N 2.9Å; R426-V428 PolarHBondContact O-N 3.04Å; R426-K429 PolarHBondContact O-N 3.37Å; R426-C430 PolarHBondContact O-N 2.92Å; R426-C430 PolarHBondContact O-SG 2.91Å; R426-C430 VanDerWaalsContact O-SG 3.33Å |
| 427 | R | 90.4 | Very high | 90.8 | Very high | 137 Ų | 137 | 102.1 Ų | 102.1 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 177.7 | -174.4 | 171.4 | 173.4 | 173.4 | -3.8 | 111.5 | F423 K424 C430 S431 D521 | F423-R427 WeakPolarHBondContact O-CB 3.41Å; F423-R427 PolarHBondContact O-N 3.46Å; K424-R427 PolarHBondContact O-N 3.4Å; R427-C430 PolarHBondContact O-N 3.34Å; R427-S431 PolarHBondContact O-N 3.45Å; R427-S431 PolarHBondContact O-OG 2.87Å; R427-D521 IonicContact CZ-OD2 3.7Å; R427-D521 VanDerWaalsContact CZ-OD2 3.29Å; R427-D521 IonicContact NH1-OD2 2.69Å; R427-D521 PolarHBondContact NH1-OD2 3.14Å; R427-D521 IonicContact NH2-OD1 2.82Å; R427-D521 IonicContact NH2-OD2 2.75Å; R427-D521 PolarHBondContact NH2-OD2 3.25Å |
| 428 | V | 89.5 | Confident | 90.8 | Very high | 72 Ų | 72 | 100.7 Ų | 100.7 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 174.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | K424 E425 R426 C430 S431 E432 | K424-V428 WeakPolarHBondContact O-CG2 3.43Å; K424-V428 PolarHBondContact O-N 3.04Å; E425-V428 PolarHBondContact O-N 3.12Å; R426-V428 PolarHBondContact O-N 3.04Å; V428-C430 VanDerWaalsContact C-N 3.28Å; V428-C430 PolarHBondContact O-N 3.2Å; V428-S431 WeakPolarHBondContact O-CA 3.48Å; V428-S431 WeakPolarHBondContact O-CB 3.34Å; V428-S431 PolarHBondContact O-N 2.99Å; V428-E432 PolarHBondContact O-N 3.19Å |
| 429 | K | 90.7 | Very high | 90.9 | Very high | 101 Ų | 101 | 102.9 Ų | 102.9 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -36 | 177.4 | -72.7 | 169.7 | 175 | 173.4 | 0 | 112.6 | E425 R426 I433 | E425-K429 HydrophobicContact CG-CD 4.47Å; E425-K429 WeakPolarHBondContact O-CG 3.38Å; E425-K429 PolarHBondContact O-N 3.01Å; E425-K429 WeakPolarHBondContact OE1-CE 3.45Å; E425-K429 IonicContact OE1-NZ 2.68Å; E425-K429 PolarHBondContact OE1-NZ 2.92Å; R426-K429 PolarHBondContact O-N 3.37Å; K429-I433 WeakPolarHBondContact O-CB 3.31Å; K429-I433 WeakPolarHBondContact O-CD1 3.45Å; K429-I433 WeakPolarHBondContact O-CG1 3.47Å; K429-I433 PolarHBondContact O-N 3.47Å |
| 430 | C | 88.5 | Confident | 91 | Very high | 77 Ų | 77 | 102 Ų | 102 | 52% | 0.52 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 172.4 | -71.9 | 0 | 0 | 0 | 0 | 112.5 | R426 R427 V428 I433 E434 | R426-C430 PolarHBondContact O-N 2.92Å; R426-C430 PolarHBondContact O-SG 2.91Å; R426-C430 VanDerWaalsContact O-SG 3.33Å; R427-C430 PolarHBondContact O-N 3.34Å; V428-C430 VanDerWaalsContact C-N 3.28Å; V428-C430 PolarHBondContact O-N 3.2Å; C430-I433 PolarHBondContact O-N 3.38Å; C430-E434 PolarHBondContact O-N 2.95Å |
| 431 | S | 90 | Very high | 91.1 | Very high | 77 Ų | 77 | 102.7 Ų | 102.7 | 54% | 0.538 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 174.1 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | R427 V428 I433 E434 E435 | R427-S431 PolarHBondContact O-N 3.45Å; R427-S431 PolarHBondContact O-OG 2.87Å; V428-S431 WeakPolarHBondContact O-CA 3.48Å; V428-S431 WeakPolarHBondContact O-CB 3.34Å; V428-S431 PolarHBondContact O-N 2.99Å; S431-I433 VanDerWaalsContact C-N 3.31Å; S431-I433 PolarHBondContact O-N 3.41Å; S431-E434 PolarHBondContact O-N 3.47Å; S431-E435 PolarHBondContact O-N 2.89Å |
| 432 | E | 91 | Very high | 91.1 | Very high | 102 Ų | 102 | 100 Ų | 100 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 173.4 | -68.5 | 170.9 | -177.9 | 0 | 0 | 111.5 | V428 E435 L436 | V428-E432 PolarHBondContact O-N 3.19Å; E432-E435 PolarHBondContact O-N 2.88Å; E432-L436 WeakPolarHBondContact O-CB 3.26Å; E432-L436 VanDerWaalsContact O-CG 3.27Å; E432-L436 WeakPolarHBondContact O-CG 3.39Å; E432-L436 PolarHBondContact O-N 2.95Å |
| 433 | I | 91.6 | Very high | 91.3 | Very high | 85 Ų | 85 | 99.9 Ų | 99.9 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.6 | -73.8 | 165.2 | 0 | 0 | 0 | 111.8 | K429 C430 S431 L436 K437 | K429-I433 WeakPolarHBondContact O-CB 3.31Å; K429-I433 WeakPolarHBondContact O-CD1 3.45Å; K429-I433 WeakPolarHBondContact O-CG1 3.47Å; K429-I433 PolarHBondContact O-N 3.47Å; C430-I433 PolarHBondContact O-N 3.38Å; S431-I433 VanDerWaalsContact C-N 3.31Å; S431-I433 PolarHBondContact O-N 3.41Å; I433-L436 PolarHBondContact O-N 3.36Å; I433-K437 HydrophobicContact CG2-CD 4.12Å; I433-K437 WeakPolarHBondContact O-CB 3.35Å; I433-K437 VanDerWaalsContact O-CG 3.26Å; I433-K437 WeakPolarHBondContact O-CG 3.46Å; I433-K437 PolarHBondContact O-N 3.3Å |
| 434 | E | 90.1 | Very high | 91.4 | Very high | 90 Ų | 90 | 98.8 Ų | 98.8 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.6 | -33.5 | 176 | -69.3 | -51.6 | 140.4 | 0 | 0 | 113.1 | C430 S431 K437 S438 | C430-E434 PolarHBondContact O-N 2.95Å; S431-E434 PolarHBondContact O-N 3.47Å; E434-K437 PolarHBondContact O-N 2.87Å; E434-K437 WeakPolarHBondContact OE1-CD 3.38Å; E434-K437 WeakPolarHBondContact OE1-CE 3.42Å; E434-K437 IonicContact OE1-NZ 3.49Å; E434-K437 PolarHBondContact OE1-NZ 3.05Å; E434-K437 VanDerWaalsContact OE2-CD 3.23Å; E434-K437 WeakPolarHBondContact OE2-CD 3.32Å; E434-K437 IonicContact OE2-NZ 3.16Å; E434-S438 PolarHBondContact O-N 3.17Å |
| 435 | E | 91.1 | Very high | 91.4 | Very high | 108 Ų | 108 | 94.3 Ų | 94.3 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 171.8 | -164.1 | -166.3 | 167.3 | 0 | 0 | 111 | S431 E432 S438 K439 | S431-E435 PolarHBondContact O-N 2.89Å; E432-E435 PolarHBondContact O-N 2.88Å; E435-S438 PolarHBondContact O-N 3.42Å; E435-K439 HydrophobicContact CG-CD 4.46Å; E435-K439 WeakPolarHBondContact O-CG 3.44Å; E435-K439 PolarHBondContact O-N 2.92Å; E435-K439 WeakPolarHBondContact OE1-CE 3.32Å; E435-K439 IonicContact OE1-NZ 3.3Å; E435-K439 PolarHBondContact OE1-NZ 3.37Å; E435-K439 IonicContact OE2-NZ 2.7Å |
| 436 | L | 93.3 | Very high | 91.6 | Very high | 111 Ų | 111 | 94.7 Ų | 94.7 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 174.6 | -73.1 | 170.3 | 0 | 0 | 0 | 112.2 | E432 I433 S438 K439 L440 | E432-L436 WeakPolarHBondContact O-CB 3.26Å; E432-L436 VanDerWaalsContact O-CG 3.27Å; E432-L436 WeakPolarHBondContact O-CG 3.39Å; E432-L436 PolarHBondContact O-N 2.95Å; I433-L436 PolarHBondContact O-N 3.36Å; L436-S438 VanDerWaalsContact C-N 3.32Å; L436-S438 PolarHBondContact O-N 2.8Å; L436-K439 PolarHBondContact O-N 2.76Å; L436-L440 WeakPolarHBondContact O-CB 3.5Å; L436-L440 PolarHBondContact O-N 2.92Å |
| 437 | K | 92.5 | Very high | 91.7 | Very high | 92 Ų | 92 | 93 Ų | 93 | 40% | 0.4 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 172 | -77.2 | 167.2 | 176 | -178.8 | 0 | 112 | I433 E434 L440 R441 | I433-K437 HydrophobicContact CG2-CD 4.12Å; I433-K437 WeakPolarHBondContact O-CB 3.35Å; I433-K437 VanDerWaalsContact O-CG 3.26Å; I433-K437 WeakPolarHBondContact O-CG 3.46Å; I433-K437 PolarHBondContact O-N 3.3Å; E434-K437 PolarHBondContact O-N 2.87Å; E434-K437 WeakPolarHBondContact OE1-CD 3.38Å; E434-K437 WeakPolarHBondContact OE1-CE 3.42Å; E434-K437 IonicContact OE1-NZ 3.49Å; E434-K437 PolarHBondContact OE1-NZ 3.05Å; E434-K437 VanDerWaalsContact OE2-CD 3.23Å; E434-K437 WeakPolarHBondContact OE2-CD 3.32Å; E434-K437 IonicContact OE2-NZ 3.16Å; K437-L440 PolarHBondContact O-N 3.49Å; K437-R441 WeakPolarHBondContact O-CG 3.42Å; K437-R441 PolarHBondContact O-N 2.91Å |
| 438 | S | 90.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 91.5 Ų | 91.5 | 30% | 0.301 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.8 | -48.2 | 177 | -144.9 | 0 | 0 | 0 | 0 | 111.5 | E434 E435 L436 L440 R441 D442 | E434-S438 PolarHBondContact O-N 3.17Å; E435-S438 PolarHBondContact O-N 3.42Å; L436-S438 VanDerWaalsContact C-N 3.32Å; L436-S438 PolarHBondContact O-N 2.8Å; S438-L440 PolarHBondContact O-N 3.14Å; S438-R441 VanDerWaalsContact CA-NH2 3.25Å; S438-R441 WeakPolarHBondContact O-CB 3.41Å; S438-R441 PolarHBondContact O-N 2.95Å; S438-R441 PolarHBondContact OG-NH2 3.17Å; S438-D442 PolarHBondContact O-N 3Å; S438-D442 VanDerWaalsContact O-OD2 3.08Å |
| 439 | K | 93.7 | Very high | 91.9 | Very high | 102 Ų | 102 | 91.8 Ų | 91.8 | 44% | 0.443 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.3 | -37.2 | 173.4 | -71.4 | 166.1 | 178.4 | 167.4 | 0 | 112.2 | E435 L436 D442 V443 | E435-K439 HydrophobicContact CG-CD 4.46Å; E435-K439 WeakPolarHBondContact O-CG 3.44Å; E435-K439 PolarHBondContact O-N 2.92Å; E435-K439 WeakPolarHBondContact OE1-CE 3.32Å; E435-K439 IonicContact OE1-NZ 3.3Å; E435-K439 PolarHBondContact OE1-NZ 3.37Å; E435-K439 IonicContact OE2-NZ 2.7Å; L436-K439 PolarHBondContact O-N 2.76Å; K439-D442 PolarHBondContact O-N 3Å; K439-V443 WeakPolarHBondContact O-CB 3.49Å; K439-V443 VanDerWaalsContact O-CG2 3.29Å; K439-V443 WeakPolarHBondContact O-CG2 3.4Å; K439-V443 PolarHBondContact O-N 3.24Å |
| 440 | L | 93.7 | Very high | 91.8 | Very high | 95 Ų | 95 | 91.7 Ų | 91.7 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 173.7 | -178.2 | 61.5 | 0 | 0 | 0 | 111.5 | L436 K437 S438 D442 V443 E444 | L436-L440 WeakPolarHBondContact O-CB 3.5Å; L436-L440 PolarHBondContact O-N 2.92Å; K437-L440 PolarHBondContact O-N 3.49Å; S438-L440 PolarHBondContact O-N 3.14Å; L440-D442 VanDerWaalsContact C-N 3.28Å; L440-D442 PolarHBondContact O-N 2.79Å; L440-V443 PolarHBondContact O-N 3.4Å; L440-V443 VanDerWaalsContact O-N 3.16Å; L440-E444 HydrophobicContact CD1-CG 4.34Å; L440-E444 HydrophobicContact CG-CG 4.46Å; L440-E444 WeakPolarHBondContact O-CB 3.31Å; L440-E444 VanDerWaalsContact O-CG 3.32Å; L440-E444 WeakPolarHBondContact O-CG 3.46Å; L440-E444 PolarHBondContact O-N 3.16Å |
| 441 | R | 92.7 | Very high | 92 | Very high | 124 Ų | 124 | 92.4 Ų | 92.4 | 47% | 0.468 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 174.9 | -70.1 | -179.7 | -59.2 | -111.8 | 2.6 | 112.3 | K437 S438 E444 A445 | K437-R441 WeakPolarHBondContact O-CG 3.42Å; K437-R441 PolarHBondContact O-N 2.91Å; S438-R441 VanDerWaalsContact CA-NH2 3.25Å; S438-R441 WeakPolarHBondContact O-CB 3.41Å; S438-R441 PolarHBondContact O-N 2.95Å; S438-R441 PolarHBondContact OG-NH2 3.17Å; R441-E444 PolarHBondContact O-N 2.94Å; R441-A445 VanDerWaalsContact O-CB 3.26Å; R441-A445 WeakPolarHBondContact O-CB 3.47Å; R441-A445 PolarHBondContact O-N 2.95Å |
| 442 | D | 92.5 | Very high | 92 | Very high | 86 Ų | 86 | 96 Ų | 96 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68 | -37 | 178.5 | -62.3 | -35.7 | 0 | 0 | 0 | 111.8 | S438 K439 L440 Q446 | S438-D442 PolarHBondContact O-N 3Å; S438-D442 VanDerWaalsContact O-OD2 3.08Å; K439-D442 PolarHBondContact O-N 3Å; L440-D442 VanDerWaalsContact C-N 3.28Å; L440-D442 PolarHBondContact O-N 2.79Å; D442-Q446 WeakPolarHBondContact O-CB 3.41Å; D442-Q446 VanDerWaalsContact O-CG 3.25Å; D442-Q446 WeakPolarHBondContact O-CG 3.35Å; D442-Q446 PolarHBondContact O-N 2.86Å; D442-Q446 PolarHBondContact O-NE2 2.88Å |
| 443 | V | 93.2 | Very high | 92 | Very high | 88 Ų | 88 | 95.5 Ų | 95.5 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.2 | -39.7 | 173.9 | 168 | 0 | 0 | 0 | 0 | 111.5 | K439 L440 Q446 L447 | K439-V443 WeakPolarHBondContact O-CB 3.49Å; K439-V443 VanDerWaalsContact O-CG2 3.29Å; K439-V443 WeakPolarHBondContact O-CG2 3.4Å; K439-V443 PolarHBondContact O-N 3.24Å; L440-V443 PolarHBondContact O-N 3.4Å; L440-V443 VanDerWaalsContact O-N 3.16Å; V443-Q446 PolarHBondContact O-N 2.89Å; V443-L447 WeakPolarHBondContact O-CB 3.48Å; V443-L447 PolarHBondContact O-N 3.17Å |
| 444 | E | 92.2 | Very high | 91.9 | Very high | 98 Ų | 98 | 99.9 Ų | 99.9 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 173.3 | -73 | 171.9 | 163.7 | 0 | 0 | 111.2 | L440 R441 L447 L448 | L440-E444 HydrophobicContact CD1-CG 4.34Å; L440-E444 HydrophobicContact CG-CG 4.46Å; L440-E444 WeakPolarHBondContact O-CB 3.31Å; L440-E444 VanDerWaalsContact O-CG 3.32Å; L440-E444 WeakPolarHBondContact O-CG 3.46Å; L440-E444 PolarHBondContact O-N 3.16Å; R441-E444 PolarHBondContact O-N 2.94Å; E444-L447 PolarHBondContact O-N 3.07Å; E444-L448 WeakPolarHBondContact O-CB 3.47Å; E444-L448 WeakPolarHBondContact O-CG 3.35Å; E444-L448 PolarHBondContact O-N 3.33Å |
| 445 | A | 92.1 | Very high | 92 | Very high | 54 Ų | 54 | 99.7 Ų | 99.7 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R441 L448 Q449 | R441-A445 VanDerWaalsContact O-CB 3.26Å; R441-A445 WeakPolarHBondContact O-CB 3.47Å; R441-A445 PolarHBondContact O-N 2.95Å; A445-L448 PolarHBondContact O-N 3.19Å; A445-Q449 WeakPolarHBondContact O-CB 3.44Å; A445-Q449 PolarHBondContact O-N 3.45Å |
| 446 | Q | 92.7 | Very high | 91.9 | Very high | 113 Ų | 113 | 100.4 Ų | 100.4 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 172.6 | -77.9 | 168.8 | 67.3 | 0 | 0 | 112.1 | D442 V443 Q449 Q450 | D442-Q446 WeakPolarHBondContact O-CB 3.41Å; D442-Q446 VanDerWaalsContact O-CG 3.25Å; D442-Q446 WeakPolarHBondContact O-CG 3.35Å; D442-Q446 PolarHBondContact O-N 2.86Å; D442-Q446 PolarHBondContact O-NE2 2.88Å; V443-Q446 PolarHBondContact O-N 2.89Å; Q446-Q449 PolarHBondContact O-N 3.04Å; Q446-Q450 WeakPolarHBondContact O-CG 3.33Å; Q446-Q450 PolarHBondContact O-N 2.91Å |
| 447 | L | 93.7 | Very high | 91.7 | Very high | 98 Ų | 98 | 100 Ų | 100 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 176.7 | -176.6 | 62.2 | 0 | 0 | 0 | 111.4 | V443 E444 Q449 Q450 L451 | V443-L447 WeakPolarHBondContact O-CB 3.48Å; V443-L447 PolarHBondContact O-N 3.17Å; E444-L447 PolarHBondContact O-N 3.07Å; L447-Q449 VanDerWaalsContact C-N 3.28Å; L447-Q449 PolarHBondContact O-N 3.12Å; L447-Q450 PolarHBondContact O-N 2.88Å; L447-L451 HydrophobicContact CG-CD1 4.2Å; L447-L451 WeakPolarHBondContact O-CB 3.38Å; L447-L451 VanDerWaalsContact O-CG 3.24Å; L447-L451 WeakPolarHBondContact O-CG 3.33Å; L447-L451 PolarHBondContact O-N 3.06Å |
| 448 | L | 92.1 | Very high | 91.5 | Very high | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.3 | -33.3 | 173.3 | -73 | 169.7 | 0 | 0 | 0 | 112.3 | E444 A445 R452 | E444-L448 WeakPolarHBondContact O-CB 3.47Å; E444-L448 WeakPolarHBondContact O-CG 3.35Å; E444-L448 PolarHBondContact O-N 3.33Å; A445-L448 PolarHBondContact O-N 3.19Å; L448-R452 WeakPolarHBondContact O-CG 3.46Å; L448-R452 PolarHBondContact O-N 3.29Å |
| 449 | Q | 91.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 103.2 Ų | 103.2 | 36% | 0.36 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -49.9 | 173.2 | -177.4 | 58.2 | 22 | 0 | 0 | 111.5 | A445 Q446 L447 L451 R452 E453 | A445-Q449 WeakPolarHBondContact O-CB 3.44Å; A445-Q449 PolarHBondContact O-N 3.45Å; Q446-Q449 PolarHBondContact O-N 3.04Å; L447-Q449 VanDerWaalsContact C-N 3.28Å; L447-Q449 PolarHBondContact O-N 3.12Å; Q449-L451 VanDerWaalsContact C-N 3.26Å; Q449-L451 PolarHBondContact O-N 3.1Å; Q449-R452 PolarHBondContact O-N 3.36Å; Q449-R452 VanDerWaalsContact O-N 3.14Å; Q449-E453 WeakPolarHBondContact CG-OE1 3.38Å; Q449-E453 PolarHBondContact NE2-OE1 3.28Å; Q449-E453 WeakPolarHBondContact O-CG 3.47Å; Q449-E453 PolarHBondContact O-N 2.94Å |
| 450 | Q | 89.6 | Confident | 91.3 | Very high | 99 Ų | 99 | 101.9 Ų | 101.9 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -33.9 | 174.9 | -72.7 | -177.6 | 13.1 | 0 | 0 | 112.6 | Q446 L447 R454 | Q446-Q450 WeakPolarHBondContact O-CG 3.33Å; Q446-Q450 PolarHBondContact O-N 2.91Å; L447-Q450 PolarHBondContact O-N 2.88Å; Q450-R454 WeakPolarHBondContact O-CB 3.23Å; Q450-R454 VanDerWaalsContact O-CG 3.27Å; Q450-R454 WeakPolarHBondContact O-CG 3.46Å; Q450-R454 PolarHBondContact O-N 3.3Å |
| 451 | L | 92.3 | Very high | 91.1 | Very high | 93 Ų | 93 | 102.3 Ų | 102.3 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 174.2 | -75 | 169.4 | 0 | 0 | 0 | 111.6 | L447 Q449 R454 E455 | L447-L451 HydrophobicContact CG-CD1 4.2Å; L447-L451 WeakPolarHBondContact O-CB 3.38Å; L447-L451 VanDerWaalsContact O-CG 3.24Å; L447-L451 WeakPolarHBondContact O-CG 3.33Å; L447-L451 PolarHBondContact O-N 3.06Å; Q449-L451 VanDerWaalsContact C-N 3.26Å; Q449-L451 PolarHBondContact O-N 3.1Å; L451-R454 PolarHBondContact O-N 2.92Å; L451-E455 WeakPolarHBondContact O-CB 3.4Å; L451-E455 PolarHBondContact O-N 2.86Å |
| 452 | R | 90.2 | Very high | 90.9 | Very high | 152 Ų | 152 | 102 Ų | 102 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -38.6 | 173.7 | -74.9 | -175.9 | -63 | -176.4 | 2.8 | 112.6 | L448 Q449 E455 L456 | L448-R452 WeakPolarHBondContact O-CG 3.46Å; L448-R452 PolarHBondContact O-N 3.29Å; Q449-R452 PolarHBondContact O-N 3.36Å; Q449-R452 VanDerWaalsContact O-N 3.14Å; R452-E455 PolarHBondContact O-N 3.22Å; R452-L456 WeakPolarHBondContact O-CB 3.18Å; R452-L456 PolarHBondContact O-N 2.87Å |
| 453 | E | 89.5 | Confident | 90.8 | Very high | 91 Ų | 91 | 103.4 Ų | 103.4 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 174.6 | -73.8 | 167.5 | -170.4 | 0 | 0 | 111.5 | Q449 L456 I457 | Q449-E453 WeakPolarHBondContact CG-OE1 3.38Å; Q449-E453 PolarHBondContact NE2-OE1 3.28Å; Q449-E453 WeakPolarHBondContact O-CG 3.47Å; Q449-E453 PolarHBondContact O-N 2.94Å; E453-L456 PolarHBondContact O-N 3.09Å; E453-I457 WeakPolarHBondContact O-CB 3.28Å; E453-I457 WeakPolarHBondContact O-CD1 3.41Å; E453-I457 VanDerWaalsContact O-CG1 3.26Å; E453-I457 WeakPolarHBondContact O-CG1 3.24Å; E453-I457 PolarHBondContact O-N 2.91Å |
| 454 | R | 90.1 | Very high | 90.4 | Very high | 177 Ų | 177 | 104.6 Ų | 104.6 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 172.3 | -76.9 | 179 | -178.5 | -157 | 3.1 | 112.3 | Q450 L451 L456 I457 E458 | Q450-R454 WeakPolarHBondContact O-CB 3.23Å; Q450-R454 VanDerWaalsContact O-CG 3.27Å; Q450-R454 WeakPolarHBondContact O-CG 3.46Å; Q450-R454 PolarHBondContact O-N 3.3Å; L451-R454 PolarHBondContact O-N 2.92Å; R454-L456 VanDerWaalsContact C-N 3.34Å; R454-I457 PolarHBondContact O-N 3.37Å; R454-E458 VanDerWaalsContact O-CB 3.28Å; R454-E458 WeakPolarHBondContact O-CB 3.43Å; R454-E458 PolarHBondContact O-N 3.02Å |
| 455 | E | 91.2 | Very high | 90.2 | Very high | 87 Ų | 87 | 106.1 Ų | 106.1 | 41% | 0.407 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.4 | -163.4 | -158.9 | 159.2 | 0 | 0 | 111.4 | L451 R452 E458 K459 | L451-E455 WeakPolarHBondContact O-CB 3.4Å; L451-E455 PolarHBondContact O-N 2.86Å; R452-E455 PolarHBondContact O-N 3.22Å; E455-E458 PolarHBondContact O-N 3.07Å; E455-K459 HydrophobicContact CG-CD 4.34Å; E455-K459 VanDerWaalsContact O-CB 3.27Å; E455-K459 WeakPolarHBondContact O-CB 3.38Å; E455-K459 VanDerWaalsContact O-CG 3.27Å; E455-K459 WeakPolarHBondContact O-CG 3.49Å; E455-K459 PolarHBondContact O-N 3.42Å; E455-K459 WeakPolarHBondContact OE1-CE 3.41Å; E455-K459 IonicContact OE1-NZ 3.7Å; E455-K459 PolarHBondContact OE1-NZ 3.35Å |
| 456 | L | 89.7 | Confident | 90 | Very high | 122 Ų | 122 | 108.9 Ų | 108.9 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -44.6 | 174.8 | -173.6 | 67.5 | 0 | 0 | 0 | 111.4 | R452 E453 R454 K459 D460 | R452-L456 WeakPolarHBondContact O-CB 3.18Å; R452-L456 PolarHBondContact O-N 2.87Å; E453-L456 PolarHBondContact O-N 3.09Å; R454-L456 VanDerWaalsContact C-N 3.34Å; L456-K459 WeakPolarHBondContact O-CB 3.35Å; L456-K459 PolarHBondContact O-N 2.83Å; L456-D460 PolarHBondContact O-N 3.16Å |
| 457 | I | 88.4 | Confident | 89.4 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 174.5 | -68.5 | 163.5 | 0 | 0 | 0 | 110.8 | E453 R454 K459 D460 I461 | E453-I457 WeakPolarHBondContact O-CB 3.28Å; E453-I457 WeakPolarHBondContact O-CD1 3.41Å; E453-I457 VanDerWaalsContact O-CG1 3.26Å; E453-I457 WeakPolarHBondContact O-CG1 3.24Å; E453-I457 PolarHBondContact O-N 2.91Å; R454-I457 PolarHBondContact O-N 3.37Å; I457-K459 VanDerWaalsContact C-N 3.34Å; I457-D460 PolarHBondContact O-N 2.94Å; I457-I461 HydrophobicContact CG2-CD1 3.76Å; I457-I461 HydrophobicContact CG2-CG1 4.42Å; I457-I461 WeakPolarHBondContact O-CB 3.49Å; I457-I461 VanDerWaalsContact O-CG1 3.24Å; I457-I461 WeakPolarHBondContact O-CG1 3.22Å; I457-I461 PolarHBondContact O-N 3.17Å |
| 458 | E | 89.2 | Confident | 88.8 | Confident | 98 Ų | 98 | 105.9 Ų | 105.9 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.8 | -31.9 | 177 | -159.3 | -160 | 179.6 | 0 | 0 | 111.8 | R454 E455 R462 | R454-E458 VanDerWaalsContact O-CB 3.28Å; R454-E458 WeakPolarHBondContact O-CB 3.43Å; R454-E458 PolarHBondContact O-N 3.02Å; E455-E458 PolarHBondContact O-N 3.07Å; E458-R462 VanDerWaalsContact O-CB 3.29Å; E458-R462 WeakPolarHBondContact O-CB 3.4Å; E458-R462 WeakPolarHBondContact O-CG 3.33Å; E458-R462 PolarHBondContact O-N 2.79Å; E458-R462 PolarHBondContact O-NE 3.18Å; E458-R462 IonicContact OE1-CZ 2.7Å; E458-R462 IonicContact OE1-NH1 3.71Å; E458-R462 PolarHBondContact OE1-NH1 3.4Å; E458-R462 IonicContact OE1-NH2 3.18Å; E458-R462 IonicContact OE2-CZ 3.74Å; E458-R462 VanDerWaalsContact OE2-CZ 3.3Å; E458-R462 IonicContact OE2-NH1 3.38Å; E458-R462 PolarHBondContact OE2-NH1 3.13Å; E458-R462 VanDerWaalsContact OE2-NH1 3.16Å; E458-R462 IonicContact OE2-NH2 2.87Å; E458-R462 PolarHBondContact OE2-NH2 2.95Å |
| 459 | K | 91 | Very high | 88.4 | Confident | 104 Ų | 104 | 103.3 Ų | 103.3 | 45% | 0.452 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 170.3 | -82.6 | 166.4 | 166.6 | 167.8 | 0 | 111.6 | E455 L456 I457 R462 Q463 | E455-K459 HydrophobicContact CG-CD 4.34Å; E455-K459 VanDerWaalsContact O-CB 3.27Å; E455-K459 WeakPolarHBondContact O-CB 3.38Å; E455-K459 VanDerWaalsContact O-CG 3.27Å; E455-K459 WeakPolarHBondContact O-CG 3.49Å; E455-K459 PolarHBondContact O-N 3.42Å; E455-K459 WeakPolarHBondContact OE1-CE 3.41Å; E455-K459 IonicContact OE1-NZ 3.7Å; E455-K459 PolarHBondContact OE1-NZ 3.35Å; L456-K459 WeakPolarHBondContact O-CB 3.35Å; L456-K459 PolarHBondContact O-N 2.83Å; I457-K459 VanDerWaalsContact C-N 3.34Å; K459-R462 PolarHBondContact O-N 3.35Å; K459-Q463 WeakPolarHBondContact O-CB 3.32Å; K459-Q463 PolarHBondContact O-N 3.24Å |
| 460 | D | 90.2 | Very high | 87.7 | Confident | 74 Ų | 74 | 104.2 Ų | 104.2 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 174.2 | -178.7 | 61.4 | 0 | 0 | 0 | 111.6 | L456 I457 R462 Q463 Q464 | L456-D460 PolarHBondContact O-N 3.16Å; I457-D460 PolarHBondContact O-N 2.94Å; D460-R462 VanDerWaalsContact C-N 3.33Å; D460-R462 PolarHBondContact O-N 3.41Å; D460-Q463 CarbonylContact O-C 3.58Å; D460-Q463 PolarHBondContact O-N 3.42Å; D460-Q463 VanDerWaalsContact O-N 3.12Å; D460-Q464 WeakPolarHBondContact O-CB 3.47Å; D460-Q464 WeakPolarHBondContact O-CG 3.35Å; D460-Q464 PolarHBondContact O-N 2.68Å; D460-Q464 PolarHBondContact OD2-NE2 2.84Å |
| 461 | I | 89.5 | Confident | 86.9 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 173.8 | -70.6 | 167.6 | 0 | 0 | 0 | 111.1 | I457 H465 | I457-I461 HydrophobicContact CG2-CD1 3.76Å; I457-I461 HydrophobicContact CG2-CG1 4.42Å; I457-I461 WeakPolarHBondContact O-CB 3.49Å; I457-I461 VanDerWaalsContact O-CG1 3.24Å; I457-I461 WeakPolarHBondContact O-CG1 3.22Å; I457-I461 PolarHBondContact O-N 3.17Å; I461-H465 WeakPolarHBondContact O-CB 3.39Å; I461-H465 PolarHBondContact O-N 2.79Å |
| 462 | R | 87.8 | Confident | 86 | Confident | 118 Ų | 118 | 105.7 Ų | 105.7 | 45% | 0.445 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 173.1 | -82.7 | -175.7 | -75.7 | -114.4 | -5.1 | 112 | E458 K459 D460 H465 E466 | E458-R462 VanDerWaalsContact O-CB 3.29Å; E458-R462 WeakPolarHBondContact O-CB 3.4Å; E458-R462 WeakPolarHBondContact O-CG 3.33Å; E458-R462 PolarHBondContact O-N 2.79Å; E458-R462 PolarHBondContact O-NE 3.18Å; E458-R462 IonicContact OE1-CZ 2.7Å; E458-R462 IonicContact OE1-NH1 3.71Å; E458-R462 PolarHBondContact OE1-NH1 3.4Å; E458-R462 IonicContact OE1-NH2 3.18Å; E458-R462 IonicContact OE2-CZ 3.74Å; E458-R462 VanDerWaalsContact OE2-CZ 3.3Å; E458-R462 IonicContact OE2-NH1 3.38Å; E458-R462 PolarHBondContact OE2-NH1 3.13Å; E458-R462 VanDerWaalsContact OE2-NH1 3.16Å; E458-R462 IonicContact OE2-NH2 2.87Å; E458-R462 PolarHBondContact OE2-NH2 2.95Å; K459-R462 PolarHBondContact O-N 3.35Å; D460-R462 VanDerWaalsContact C-N 3.33Å; D460-R462 PolarHBondContact O-N 3.41Å; R462-H465 PolarHBondContact O-N 3.06Å; R462-E466 WeakPolarHBondContact O-CB 3.29Å; R462-E466 PolarHBondContact O-N 2.99Å |
| 463 | Q | 89.3 | Confident | 85.1 | Confident | 116 Ų | 116 | 103.3 Ų | 103.3 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 179.1 | -173.8 | 172.9 | -0.4 | 0 | 0 | 112.1 | K459 D460 E466 M467 | K459-Q463 WeakPolarHBondContact O-CB 3.32Å; K459-Q463 PolarHBondContact O-N 3.24Å; D460-Q463 CarbonylContact O-C 3.58Å; D460-Q463 PolarHBondContact O-N 3.42Å; D460-Q463 VanDerWaalsContact O-N 3.12Å; Q463-E466 PolarHBondContact O-N 2.91Å; Q463-M467 VanDerWaalsContact O-CB 3.3Å; Q463-M467 WeakPolarHBondContact O-CB 3.28Å; Q463-M467 VanDerWaalsContact O-CG 3.32Å; Q463-M467 WeakPolarHBondContact O-CG 3.34Å; Q463-M467 PolarHBondContact O-N 3.39Å |
| 464 | Q | 86.3 | Confident | 83.5 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 172.4 | -70.5 | -164.2 | 43.7 | 0 | 0 | 111.7 | D460 S468 | D460-Q464 WeakPolarHBondContact O-CB 3.47Å; D460-Q464 WeakPolarHBondContact O-CG 3.35Å; D460-Q464 PolarHBondContact O-N 2.68Å; D460-Q464 PolarHBondContact OD2-NE2 2.84Å; Q464-S468 WeakPolarHBondContact O-CB 3.46Å; Q464-S468 PolarHBondContact O-N 3.2Å |
| 465 | H | 88.4 | Confident | 81.8 | Confident | 130 Ų | 130 | 107 Ų | 107 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 173.1 | -175.3 | 81.4 | 0 | 0 | 0 | 111.5 | I461 R462 S468 T469 | I461-H465 WeakPolarHBondContact O-CB 3.39Å; I461-H465 PolarHBondContact O-N 2.79Å; R462-H465 PolarHBondContact O-N 3.06Å; H465-S468 PolarHBondContact O-N 2.9Å; H465-T469 WeakPolarHBondContact O-CB 3.45Å; H465-T469 PolarHBondContact O-N 2.91Å; H465-T469 PolarHBondContact O-OG1 3.03Å |
| 466 | E | 87.1 | Confident | 80.1 | Confident | 112 Ų | 112 | 107.4 Ų | 107.4 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -48 | 175.2 | -171.7 | 176.2 | 175.6 | 0 | 0 | 110.7 | R462 Q463 S468 T469 Q470 | R462-E466 WeakPolarHBondContact O-CB 3.29Å; R462-E466 PolarHBondContact O-N 2.99Å; Q463-E466 PolarHBondContact O-N 2.91Å; E466-S468 VanDerWaalsContact C-N 3.32Å; E466-S468 PolarHBondContact O-N 3.25Å; E466-T469 CarbonylContact O-C 3.57Å; E466-T469 WeakPolarHBondContact O-CA 3.31Å; E466-T469 WeakPolarHBondContact O-CB 3.39Å; E466-T469 PolarHBondContact O-N 3.23Å; E466-Q470 HydrophobicContact CG-CG 4.09Å; E466-Q470 WeakPolarHBondContact O-CB 3.18Å; E466-Q470 WeakPolarHBondContact O-CG 3.42Å; E466-Q470 PolarHBondContact O-N 3.06Å; E466-Q470 PolarHBondContact OE1-NE2 3.13Å |
| 467 | M | 80.1 | Confident | 78.1 | Confident | 101 Ų | 101 | 106 Ų | 106 | 50% | 0.498 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -38.7 | 173.9 | -75.9 | -154.7 | -58.1 | 0 | 0 | 112.1 | Q463 T469 L471 | Q463-M467 VanDerWaalsContact O-CB 3.3Å; Q463-M467 WeakPolarHBondContact O-CB 3.28Å; Q463-M467 VanDerWaalsContact O-CG 3.32Å; Q463-M467 WeakPolarHBondContact O-CG 3.34Å; Q463-M467 PolarHBondContact O-N 3.39Å; M467-T469 VanDerWaalsContact C-N 3.26Å; M467-T469 PolarHBondContact O-N 3.49Å; M467-L471 WeakPolarHBondContact O-CB 3.25Å; M467-L471 WeakPolarHBondContact O-CD1 3.28Å; M467-L471 WeakPolarHBondContact O-CG 3.36Å; M467-L471 PolarHBondContact O-N 3.5Å |
| 468 | S | 80.2 | Confident | 75.6 | Confident | 47 Ų | 47 | 109.4 Ų | 109.4 | 33% | 0.329 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | Q464 H465 E466 K472 | Q464-S468 WeakPolarHBondContact O-CB 3.46Å; Q464-S468 PolarHBondContact O-N 3.2Å; H465-S468 PolarHBondContact O-N 2.9Å; E466-S468 VanDerWaalsContact C-N 3.32Å; E466-S468 PolarHBondContact O-N 3.25Å; S468-K472 WeakPolarHBondContact O-CB 3.43Å; S468-K472 WeakPolarHBondContact O-CD 3.4Å; S468-K472 WeakPolarHBondContact O-CG 3.28Å; S468-K472 PolarHBondContact O-N 3.06Å; S468-K472 PolarHBondContact OG-NZ 3.41Å |
| 469 | T | 83.7 | Confident | 73.1 | Confident | 52 Ų | 52 | 113.1 Ų | 113.1 | 32% | 0.319 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76.4 | -44 | 179.5 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | H465 E466 M467 L471 K472 L473 | H465-T469 WeakPolarHBondContact O-CB 3.45Å; H465-T469 PolarHBondContact O-N 2.91Å; H465-T469 PolarHBondContact O-OG1 3.03Å; E466-T469 CarbonylContact O-C 3.57Å; E466-T469 WeakPolarHBondContact O-CA 3.31Å; E466-T469 WeakPolarHBondContact O-CB 3.39Å; E466-T469 PolarHBondContact O-N 3.23Å; M467-T469 VanDerWaalsContact C-N 3.26Å; M467-T469 PolarHBondContact O-N 3.49Å; T469-L471 VanDerWaalsContact C-N 3.35Å; T469-L471 PolarHBondContact O-N 3.01Å; T469-K472 PolarHBondContact O-N 3.1Å; T469-L473 HydrophobicContact CG2-CD1 4.25Å; T469-L473 WeakPolarHBondContact O-CB 3.35Å; T469-L473 VanDerWaalsContact O-CG 3.26Å; T469-L473 WeakPolarHBondContact O-CG 3.37Å; T469-L473 PolarHBondContact O-N 2.93Å |
| 470 | Q | 78 | Confident | 70.2 | Confident | 96 Ų | 96 | 115.7 Ų | 115.7 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64 | -36.2 | 172.5 | -69.9 | -169.5 | 19.7 | 0 | 0 | 111.8 | E466 L473 Q474 | E466-Q470 HydrophobicContact CG-CG 4.09Å; E466-Q470 WeakPolarHBondContact O-CB 3.18Å; E466-Q470 WeakPolarHBondContact O-CG 3.42Å; E466-Q470 PolarHBondContact O-N 3.06Å; E466-Q470 PolarHBondContact OE1-NE2 3.13Å; Q470-L473 CarbonylContact O-C 3.6Å; Q470-L473 PolarHBondContact O-N 3.15Å; Q470-Q474 WeakPolarHBondContact O-CB 3.32Å; Q470-Q474 PolarHBondContact O-N 3.39Å |
| 471 | L | 73.1 | Confident | 67.5 | Low | 88 Ų | 88 | 120.5 Ų | 120.5 | 46% | 0.461 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66 | -47.7 | 171.8 | -79.5 | 165.6 | 0 | 0 | 0 | 111 | M467 T469 L473 Q474 Y475 | M467-L471 WeakPolarHBondContact O-CB 3.25Å; M467-L471 WeakPolarHBondContact O-CD1 3.28Å; M467-L471 WeakPolarHBondContact O-CG 3.36Å; M467-L471 PolarHBondContact O-N 3.5Å; T469-L471 VanDerWaalsContact C-N 3.35Å; T469-L471 PolarHBondContact O-N 3.01Å; L471-L473 PolarHBondContact O-N 3.04Å; L471-Q474 PolarHBondContact O-N 3.07Å; L471-Y475 HydrophobicContact CD2-CE2 4.37Å; L471-Y475 WeakPolarHBondContact O-CB 3.3Å; L471-Y475 VanDerWaalsContact O-CD2 3.26Å; L471-Y475 WeakPolarHBondContact O-CD2 3.17Å; L471-Y475 PolarHBondContact O-N 3.44Å |
| 472 | K | 73.6 | Confident | 64.8 | Low | 135 Ų | 135 | 120.5 Ų | 120.5 | 59% | 0.587 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -56.3 | -38 | 172.8 | -75.4 | 163 | -176.5 | 158.9 | 0 | 111.6 | S468 T469 S476 | S468-K472 WeakPolarHBondContact O-CB 3.43Å; S468-K472 WeakPolarHBondContact O-CD 3.4Å; S468-K472 WeakPolarHBondContact O-CG 3.28Å; S468-K472 PolarHBondContact O-N 3.06Å; S468-K472 PolarHBondContact OG-NZ 3.41Å; T469-K472 PolarHBondContact O-N 3.1Å; K472-S476 WeakPolarHBondContact O-CB 3.37Å; K472-S476 PolarHBondContact O-N 3.5Å; K472-S476 PolarHBondContact O-OG 3.16Å |
| 473 | L | 70.4 | Confident | 62.2 | Low | 101 Ų | 101 | 122 Ų | 122 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72 | -41.4 | 175.2 | -70.9 | 167.9 | 0 | 0 | 0 | 112.7 | T469 Q470 L471 S476 V477 | T469-L473 HydrophobicContact CG2-CD1 4.25Å; T469-L473 WeakPolarHBondContact O-CB 3.35Å; T469-L473 VanDerWaalsContact O-CG 3.26Å; T469-L473 WeakPolarHBondContact O-CG 3.37Å; T469-L473 PolarHBondContact O-N 2.93Å; Q470-L473 CarbonylContact O-C 3.6Å; Q470-L473 PolarHBondContact O-N 3.15Å; L471-L473 PolarHBondContact O-N 3.04Å; L473-S476 CarbonylContact O-C 3.39Å; L473-S476 WeakPolarHBondContact O-CA 3.45Å; L473-S476 WeakPolarHBondContact O-CB 3.42Å; L473-S476 PolarHBondContact O-N 2.97Å; L473-S476 VanDerWaalsContact O-N 3.11Å; L473-V477 WeakPolarHBondContact O-CA 3.46Å; L473-V477 VanDerWaalsContact O-CB 3.28Å; L473-V477 WeakPolarHBondContact O-CB 3.38Å; L473-V477 WeakPolarHBondContact O-CG2 3.46Å; L473-V477 PolarHBondContact O-N 3.47Å |
| 474 | Q | 56.9 | Low | 59.4 | Low | 138 Ų | 138 | 123 Ų | 123 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.9 | -40.5 | 176 | -81.9 | -163.1 | 0.1 | 0 | 0 | 112.7 | Q470 L471 S476 V477 | Q470-Q474 WeakPolarHBondContact O-CB 3.32Å; Q470-Q474 PolarHBondContact O-N 3.39Å; L471-Q474 PolarHBondContact O-N 3.07Å; Q474-S476 PolarHBondContact O-N 3.11Å; Q474-V477 CarbonylContact O-C 3.21Å; Q474-V477 PolarHBondContact O-N 3.21Å |
| 475 | Y | 54.6 | Low | 57 | Low | 208 Ų | 208 | 127.3 Ų | 127.3 | 82% | 0.816 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.8 | -26.5 | 170.6 | -82.6 | -69.3 | 0 | 0 | 0 | 112 | L471 | L471-Y475 HydrophobicContact CD2-CE2 4.37Å; L471-Y475 WeakPolarHBondContact O-CB 3.3Å; L471-Y475 VanDerWaalsContact O-CD2 3.26Å; L471-Y475 WeakPolarHBondContact O-CD2 3.17Å; L471-Y475 PolarHBondContact O-N 3.44Å |
| 476 | S | 53.7 | Low | 54.3 | Low | 96 Ų | 96 | 125.7 Ų | 125.7 | 67% | 0.671 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85.2 | -23.6 | 171.6 | -55 | 0 | 0 | 0 | 0 | 113.6 | K472 L473 Q474 | K472-S476 WeakPolarHBondContact O-CB 3.37Å; K472-S476 PolarHBondContact O-N 3.5Å; K472-S476 PolarHBondContact O-OG 3.16Å; L473-S476 CarbonylContact O-C 3.39Å; L473-S476 WeakPolarHBondContact O-CA 3.45Å; L473-S476 WeakPolarHBondContact O-CB 3.42Å; L473-S476 PolarHBondContact O-N 2.97Å; L473-S476 VanDerWaalsContact O-N 3.11Å; Q474-S476 PolarHBondContact O-N 3.11Å |
| 477 | V | 49.1 | Very low | 51.9 | Low | 93 Ų | 93 | 127.8 Ų | 127.8 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -132.5 | 85.7 | -169.9 | -173.3 | 0 | 0 | 0 | 0 | 111 | L473 Q474 | L473-V477 WeakPolarHBondContact O-CA 3.46Å; L473-V477 VanDerWaalsContact O-CB 3.28Å; L473-V477 WeakPolarHBondContact O-CB 3.38Å; L473-V477 WeakPolarHBondContact O-CG2 3.46Å; L473-V477 PolarHBondContact O-N 3.47Å; Q474-V477 CarbonylContact O-C 3.21Å; Q474-V477 PolarHBondContact O-N 3.21Å |
| 478 | K | 34.7 | Very low | 49.5 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 76% | 0.757 | 66% | 0.659 | S | S | * | * | trans | 39.4 | 117.2 | 142.7 | -67.9 | 174.3 | -179.9 | 168.3 | 0 | 118.8 | ||||
| 479 | K | 36.7 | Very low | 47.2 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | 62.4 | 131.3 | 124.6 | -59.9 | -176.9 | 176.4 | -168.1 | 0 | 119.4 | |||||
| 480 | L | 31.8 | Very low | 44.8 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | 67.6 | 148 | 155.3 | -57.8 | 153.8 | 0 | 0 | 0 | 115.4 | ||||
| 481 | H | 32.3 | Very low | 42.5 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | cis | -165.9 | 151.3 | -30.7 | -150.9 | 43.6 | 0 | 0 | 0 | 105.3 | ||||
| 482 | P | 33.1 | Very low | 40.6 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | trans | -91.2 | 153.9 | -167.7 | 35.3 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 483 | N | 33.1 | Very low | 38.8 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | -157.3 | 169.8 | 142.4 | -134.1 | -37.1 | 0 | 0 | 0 | 114 | ||||
| 484 | N | 30.7 | Very low | 36.9 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -114.5 | -174.1 | -161.9 | -54.7 | -88.7 | 0 | 0 | 0 | 112.9 | ||||
| 485 | K | 35 | Very low | 35.7 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | 98.4 | 143.2 | 169.6 | -62.2 | 176.5 | -176.9 | -176.7 | 0 | 114.6 | ||||
| 486 | S | 32.2 | Very low | 34.7 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | cis | -167.8 | 155.2 | -5.5 | 167.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 487 | L | 36.4 | Very low | 33.8 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | trans | 45.8 | 102.6 | 160.1 | -94.9 | 70.9 | 0 | 0 | 0 | 120.1 | ||||
| 488 | D | 30.6 | Very low | 32.9 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 5.8 | 127.5 | 111 | -173.4 | 28.4 | 0 | 0 | 0 | 119.2 | |||||
| 489 | C | 31.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | -168.5 | 163.4 | 122.8 | -155.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 490 | H | 32.3 | Very low | 32.6 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -65.3 | 142.7 | -166.3 | -56.1 | -74.3 | 0 | 0 | 0 | 118.2 | ||||
| 491 | Q | 30 | Very low | 32.7 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -146.2 | 153.4 | 150.9 | -86.1 | -165.9 | -23.5 | 0 | 0 | 108.3 | ||||
| 492 | S | 34.5 | Very low | 32.6 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 57% | 0.566 | 73% | 0.729 | S | S | * | * | cis | -172.1 | 166.7 | -18.4 | 52.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 493 | N | 34.4 | Very low | 32.5 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | 81.6 | 123.7 | 166.2 | -55.7 | -16.1 | 0 | 0 | 0 | 115.8 | ||||
| 494 | C | 32.1 | Very low | 32.4 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | cis | 77.4 | 138.8 | 41.9 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 495 | N | 31.4 | Very low | 32.3 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | cis | -170.8 | -176.7 | 9.8 | -129.8 | 21.2 | 0 | 0 | 0 | 110.9 | ||||
| 496 | V | 33 | Very low | 32.2 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | trans | 72.5 | 140.8 | 135.7 | 154.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 497 | E | 33.7 | Very low | 32.2 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | cis | -156.9 | -179 | -9.3 | -126.6 | 154.5 | -148.7 | 0 | 0 | 111.5 | ||||
| 498 | E | 30.4 | Very low | 31.9 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | trans | -32.9 | 157 | 160 | -64.2 | 140.9 | -172.4 | 0 | 0 | 115.8 | ||||
| 499 | I | 36.1 | Very low | 31.9 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 82% | 0.815 | 71% | 0.71 | S | S | * | * | -173.2 | 120.2 | 86.1 | -79.6 | 149.6 | 0 | 0 | 0 | 104.2 | |||||
| 500 | E | 29.5 | Very low | 31.8 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | 65.8 | 116 | 50.2 | -169.4 | 164.8 | -123.8 | 0 | 0 | 115.7 | |||||
| 501 | C | 33.3 | Very low | 32.1 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | trans | -173 | 141.6 | 142.8 | -114.9 | 0 | 0 | 0 | 0 | 112.1 | L1330 | C501-L1330 HydrophobicContact CB-CD1 3.37Å; C501-L1330 HydrophobicContact CB-CD2 4.37Å; C501-L1330 HydrophobicContact CB-CG 4.46Å | ||
| 502 | T | 30.7 | Very low | 32.2 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | trans | -89.3 | -168 | 173.4 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 503 | E | 31.7 | Very low | 32.6 | Very low | 141 Ų | 141 | 131 Ų | 131 | 66% | 0.659 | 70% | 0.7 | S | S | * | * | cis | -165.4 | -164.1 | 33.9 | -144 | 172.9 | 172.4 | 0 | 0 | 113.3 | ||||
| 504 | Q | 30.7 | Very low | 32.6 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -46.3 | 164.7 | -175.4 | -60.5 | 147.4 | 42 | 0 | 0 | 116.6 | ||||
| 505 | G | 29.2 | Very low | 32.9 | Very low | 46 Ų | 46 | 133.7 Ų | 133.7 | 47% | 0.474 | 71% | 0.705 | S | S | . | * | cis | 160.5 | -176.1 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 506 | N | 32.3 | Very low | 33.2 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | trans | 67.7 | 153.9 | -178.1 | -62 | -58.8 | 0 | 0 | 0 | 115.5 | ||||
| 507 | K | 31.4 | Very low | 33.4 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 79% | 0.787 | 71% | 0.707 | S | S | * | * | cis | 170.5 | 172.8 | -22.8 | -106.1 | 177.3 | -176.7 | 171.5 | 0 | 104.4 | ||||
| 508 | V | 31.8 | Very low | 33.6 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 81% | 0.806 | 70% | 0.696 | S | S | * | * | trans | 75.7 | 102.8 | -175.1 | -169.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 509 | V | 30 | Very low | 33.7 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 71% | 0.709 | 71% | 0.707 | S | S | * | * | 82.2 | 135.9 | 63.5 | 172.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 510 | D | 30.6 | Very low | 34 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | trans | 59.8 | 85.6 | 175.4 | -59.3 | -23.8 | 0 | 0 | 0 | 118.7 | ||||
| 511 | Q | 36.6 | Very low | 34.4 | Very low | 190 Ų | 190 | 126.1 Ų | 126.1 | 89% | 0.888 | 69% | 0.688 | S | S | * | * | trans | -151.7 | 136.9 | 144 | -118.7 | 138.2 | 104.3 | 0 | 0 | 111.6 | ||||
| 512 | H | 33.5 | Very low | 34.9 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 56% | 0.556 | 70% | 0.698 | S | S | * | * | trans | -70.3 | 145.2 | 175.2 | -79.6 | -151.5 | 0 | 0 | 0 | 110.7 | I514 K548 | H512-I514 PolarHBondContact O-N 3.37Å; H512-K548 PolarHBondContact CE1-NZ 3.01Å; H512-K548 PolarHBondContact NE2-NZ 3.47Å | ||
| 513 | P | 41.5 | Very low | 35.7 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 58% | 0.578 | 70% | 0.702 | S | S | * | * | trans | -69.5 | 102.1 | 172 | 28.9 | -33.2 | 0 | 0 | 0 | 110.1 | L515 | P513-L515 PolarHBondContact O-N 3.28Š| ||
| 514 | I | 34.8 | Very low | 36.7 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 80% | 0.795 | 71% | 0.708 | S | S | * | * | trans | -70.6 | 96.7 | 168.9 | -59 | 174.9 | 0 | 0 | 0 | 107.3 | H512 N516 | H512-I514 PolarHBondContact O-N 3.37Å; I514-N516 PolarHBondContact O-N 3.07Å | ||
| 515 | L | 38 | Very low | 37.6 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -68.9 | 82.9 | 171.9 | -74.4 | 175.6 | 0 | 0 | 0 | 109.7 | P513 N517 | P513-L515 PolarHBondContact O-N 3.28Å; L515-N517 PolarHBondContact O-N 3.03Å | ||
| 516 | N | 38.8 | Very low | 39.1 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -74 | 103.8 | 179.4 | -165.1 | 1.9 | 0 | 0 | 0 | 108.7 | I514 S518 | I514-N516 PolarHBondContact O-N 3.07Å; N516-S518 VanDerWaalsContact C-N 3.28Å; N516-S518 PolarHBondContact O-N 3.45Å | ||
| 517 | N | 36.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | trans | -64.3 | 80.8 | -173.1 | -82.6 | -27.3 | 0 | 0 | 0 | 112.6 | L515 | L515-N517 PolarHBondContact O-N 3.03Š| ||
| 518 | S | 38.2 | Very low | 41.5 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 48% | 0.476 | 71% | 0.708 | S | S | . | * | trans | -130.9 | 109.4 | 179.5 | -170.7 | 0 | 0 | 0 | 0 | 108.6 | N516 Q520 | N516-S518 VanDerWaalsContact C-N 3.28Å; N516-S518 PolarHBondContact O-N 3.45Å; S518-Q520 VanDerWaalsContact C-N 3.27Å; S518-Q520 PolarHBondContact O-N 3.06Å | ||
| 519 | C | 33.6 | Very low | 42.9 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 93% | 0.932 | 69% | 0.69 | S | S | * | * | trans | -71.4 | 82.9 | 176.1 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 520 | Q | 40.8 | Very low | 44.6 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | -81.8 | 141 | -179.7 | -68.8 | -173.5 | -8.3 | 0 | 0 | 111.6 | S518 | S518-Q520 VanDerWaalsContact C-N 3.27Å; S518-Q520 PolarHBondContact O-N 3.06Å | ||
| 521 | D | 38.5 | Very low | 46.4 | Very low | 91 Ų | 91 | 120.8 Ų | 120.8 | 49% | 0.487 | 67% | 0.669 | S | S | . | * | trans | -48.1 | 140.9 | -177 | -77.6 | -37.2 | 0 | 0 | 0 | 112.4 | R427 S523 | R427-D521 IonicContact CZ-OD2 3.7Å; R427-D521 VanDerWaalsContact CZ-OD2 3.29Å; R427-D521 IonicContact NH1-OD2 2.69Å; R427-D521 PolarHBondContact NH1-OD2 3.14Å; R427-D521 IonicContact NH2-OD1 2.82Å; R427-D521 IonicContact NH2-OD2 2.75Å; R427-D521 PolarHBondContact NH2-OD2 3.25Å; D521-S523 PolarHBondContact O-N 2.97Å | ||
| 522 | L | 43.6 | Very low | 48.3 | Very low | 155 Ų | 155 | 113.7 Ų | 113.7 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -67.9 | 39.1 | 176 | -73.3 | 165 | 0 | 0 | 0 | 113.9 | ||
| 523 | S | 48.6 | Very low | 50.2 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | trans | -104.9 | 5.5 | -169.6 | -57 | 0 | 0 | 0 | 0 | 113.9 | D521 | D521-S523 PolarHBondContact O-N 2.97Š| ||
| 524 | L | 52.1 | Low | 51.8 | Low | 153 Ų | 153 | 109.2 Ų | 109.2 | 80% | 0.801 | 63% | 0.627 | S | S | * | * | trans | -120.2 | 3.9 | -167.8 | -102.5 | 164.3 | 0 | 0 | 0 | 115.7 | K526 | L524-K526 PolarHBondContact O-N 2.83Š| ||
| 525 | L | 48.9 | Very low | 53.8 | Low | 77 Ų | 77 | 106.6 Ų | 106.6 | 40% | 0.403 | 61% | 0.614 | S | S | . | * | trans | -64.1 | 127.2 | 167.5 | -78.1 | 165.2 | 0 | 0 | 0 | 109.9 | E529 L531 V534 | L525-E529 HydrophobicContact CD2-CB 4.33Å; L525-L531 HydrophobicContact CD1-CD1 4.07Å; L525-V534 HydrophobicContact CD2-CG2 3.9Å | ||
| 526 | K | 60.6 | Low | 55.7 | Low | 143 Ų | 143 | 105 Ų | 105 | 62% | 0.622 | 60% | 0.603 | S | S | * | * | trans | -74.7 | 148.4 | 174.6 | -65.2 | 173.5 | -176.8 | 162.4 | 0 | 110.2 | L524 G528 E529 | L524-K526 PolarHBondContact O-N 2.83Å; K526-G528 PolarHBondContact O-N 3.18Å; K526-E529 HydrophobicContact CB-CG 4.48Å; K526-E529 WeakPolarHBondContact CB-OE2 3.46Å; K526-E529 PolarHBondContact N-OE2 2.59Å; K526-E529 VanDerWaalsContact N-OE2 3.1Å; K526-E529 PolarHBondContact O-N 3.18Å; K526-E529 VanDerWaalsContact O-N 3.09Å | ||
| 527 | P | 47.9 | Very low | 57.7 | Low | 143 Ų | 143 | 102.9 Ų | 102.9 | 93% | 0.929 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 104.4 | 178.9 | -23.7 | 34.5 | 0 | 0 | 0 | 112.1 | ||
| 528 | G | 65.6 | Low | 59.6 | Low | 77 Ų | 77 | 101.6 Ų | 101.6 | 79% | 0.794 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 125.4 | -19 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K526 N530 | K526-G528 PolarHBondContact O-N 3.18Å; G528-N530 PolarHBondContact O-N 3.12Å |
| 529 | E | 62.4 | Low | 61.8 | Low | 90 Ų | 90 | 102.4 Ų | 102.4 | 42% | 0.421 | 58% | 0.583 | S | S | . | * | trans | -76 | 114.6 | 175.3 | -73.1 | 164 | 174.7 | 0 | 0 | 109.9 | L525 K526 | L525-E529 HydrophobicContact CD2-CB 4.33Å; K526-E529 HydrophobicContact CB-CG 4.48Å; K526-E529 WeakPolarHBondContact CB-OE2 3.46Å; K526-E529 PolarHBondContact N-OE2 2.59Å; K526-E529 VanDerWaalsContact N-OE2 3.1Å; K526-E529 PolarHBondContact O-N 3.18Å; K526-E529 VanDerWaalsContact O-N 3.09Å | ||
| 530 | N | 65.8 | Low | 64.3 | Low | 103 Ų | 103 | 100.4 Ų | 100.4 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | trans | -78.8 | 133.8 | 176.9 | 56.3 | -52.5 | 0 | 0 | 0 | 110.3 | G528 G532 T533 | G528-N530 PolarHBondContact O-N 3.12Å; N530-G532 PolarHBondContact O-N 2.93Å; N530-T533 PolarHBondContact O-N 3.38Å; N530-T533 PolarHBondContact O-OG1 2.93Å; N530-T533 WeakPolarHBondContact OD1-CG2 3.29Å | ||
| 531 | L | 67.1 | Low | 66.2 | Low | 92 Ų | 92 | 96 Ų | 96 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -50 | -27.3 | -176.9 | -164.6 | 74.4 | 0 | 0 | 0 | 114 | L525 L535 | L525-L531 HydrophobicContact CD1-CD1 4.07Å; L531-L535 HydrophobicContact CD2-CD1 4.24Å; L531-L535 HydrophobicContact CG-CD1 4.02Å; L531-L535 HydrophobicContact CG-CG 4.48Å; L531-L535 WeakPolarHBondContact O-CB 3.23Å; L531-L535 VanDerWaalsContact O-CG 3.32Å; L531-L535 WeakPolarHBondContact O-CG 3.41Å; L531-L535 PolarHBondContact O-N 3.43Å; L531-L535 VanDerWaalsContact O-N 3.16Å |
| 532 | G | 77.2 | Confident | 68.2 | Low | 41 Ų | 41 | 94 Ų | 94 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N530 E536 | N530-G532 PolarHBondContact O-N 2.93Å; G532-E536 VanDerWaalsContact O-CB 3.23Å; G532-E536 WeakPolarHBondContact O-CB 3.44Å; G532-E536 PolarHBondContact O-N 3.38Å |
| 533 | T | 74.3 | Confident | 70.3 | Confident | 57 Ų | 57 | 94.6 Ų | 94.6 | 35% | 0.35 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.5 | -42.9 | -178.9 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | N530 L535 E536 D537 | N530-T533 PolarHBondContact O-N 3.38Å; N530-T533 PolarHBondContact O-OG1 2.93Å; N530-T533 WeakPolarHBondContact OD1-CG2 3.29Å; T533-L535 PolarHBondContact O-N 3.21Å; T533-E536 PolarHBondContact O-N 3.13Å; T533-D537 WeakPolarHBondContact O-CB 3.35Å; T533-D537 PolarHBondContact O-N 3.43Å |
| 534 | V | 73.7 | Confident | 72.1 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 36% | 0.358 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | L525 E536 D537 D538 | L525-V534 HydrophobicContact CD2-CG2 3.9Å; V534-E536 VanDerWaalsContact C-N 3.31Å; V534-E536 PolarHBondContact O-N 2.99Å; V534-D537 PolarHBondContact O-N 3.49Å; V534-D538 WeakPolarHBondContact O-CB 3.16Å; V534-D538 PolarHBondContact O-N 3.3Å |
| 535 | L | 76.7 | Confident | 73.6 | Confident | 100 Ų | 100 | 94 Ų | 94 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -32.3 | 177.2 | -70.1 | 172.8 | 0 | 0 | 0 | 113.2 | L531 T533 L539 | L531-L535 HydrophobicContact CD2-CD1 4.24Å; L531-L535 HydrophobicContact CG-CD1 4.02Å; L531-L535 HydrophobicContact CG-CG 4.48Å; L531-L535 WeakPolarHBondContact O-CB 3.23Å; L531-L535 VanDerWaalsContact O-CG 3.32Å; L531-L535 WeakPolarHBondContact O-CG 3.41Å; L531-L535 PolarHBondContact O-N 3.43Å; L531-L535 VanDerWaalsContact O-N 3.16Å; T533-L535 PolarHBondContact O-N 3.21Å; L535-L539 WeakPolarHBondContact O-CB 3.37Å; L535-L539 PolarHBondContact O-N 3Å |
| 536 | E | 78.9 | Confident | 75.3 | Confident | 109 Ų | 109 | 94.7 Ų | 94.7 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.5 | -34.1 | 178 | -158.8 | -169.6 | 118.7 | 0 | 0 | 112.1 | G532 T533 V534 L539 K540 | G532-E536 VanDerWaalsContact O-CB 3.23Å; G532-E536 WeakPolarHBondContact O-CB 3.44Å; G532-E536 PolarHBondContact O-N 3.38Å; T533-E536 PolarHBondContact O-N 3.13Å; V534-E536 VanDerWaalsContact C-N 3.31Å; V534-E536 PolarHBondContact O-N 2.99Å; E536-L539 PolarHBondContact O-N 2.93Å; E536-K540 VanDerWaalsContact O-CG 3.25Å; E536-K540 WeakPolarHBondContact O-CG 3.48Å; E536-K540 PolarHBondContact O-N 3.37Å; E536-K540 WeakPolarHBondContact OE1-CE 3.34Å; E536-K540 IonicContact OE1-NZ 2.66Å; E536-K540 PolarHBondContact OE1-NZ 3.39Å |
| 537 | D | 80 | Confident | 76.4 | Confident | 90 Ų | 90 | 91.1 Ų | 91.1 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.6 | -36.2 | 175.7 | -70.5 | -14.5 | 0 | 0 | 0 | 111.9 | T533 V534 L539 K540 S541 | T533-D537 WeakPolarHBondContact O-CB 3.35Å; T533-D537 PolarHBondContact O-N 3.43Å; V534-D537 PolarHBondContact O-N 3.49Å; D537-L539 VanDerWaalsContact C-N 3.31Å; D537-L539 PolarHBondContact O-N 3.14Å; D537-K540 PolarHBondContact O-N 2.91Å; D537-K540 WeakPolarHBondContact OD1-CD 3.43Å; D537-K540 IonicContact OD1-NZ 2.61Å; D537-K540 PolarHBondContact OD1-NZ 3.37Å; D537-S541 WeakPolarHBondContact O-CB 3.47Å; D537-S541 PolarHBondContact O-N 3.35Å |
| 538 | D | 78.3 | Confident | 78.3 | Confident | 97 Ų | 97 | 89.5 Ų | 89.5 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 165.3 | -79.8 | -24.9 | 0 | 0 | 0 | 111.1 | V534 S541 A542 | V534-D538 WeakPolarHBondContact O-CB 3.16Å; V534-D538 PolarHBondContact O-N 3.3Å; D538-S541 WeakPolarHBondContact O-CB 3.44Å; D538-S541 PolarHBondContact O-N 3.04Å; D538-A542 WeakPolarHBondContact O-CB 3.47Å; D538-A542 PolarHBondContact O-N 3.01Å |
| 539 | L | 83.3 | Confident | 79.2 | Confident | 85 Ų | 85 | 89.3 Ų | 89.3 | 45% | 0.445 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.5 | -31.6 | 179 | -172.6 | 148.3 | 0 | 0 | 0 | 112.6 | L535 E536 D537 R543 | L535-L539 WeakPolarHBondContact O-CB 3.37Å; L535-L539 PolarHBondContact O-N 3Å; E536-L539 PolarHBondContact O-N 2.93Å; D537-L539 VanDerWaalsContact C-N 3.31Å; D537-L539 PolarHBondContact O-N 3.14Å; L539-R543 WeakPolarHBondContact O-CB 3.46Å; L539-R543 VanDerWaalsContact O-CG 3.27Å; L539-R543 WeakPolarHBondContact O-CG 3.29Å; L539-R543 PolarHBondContact O-N 2.96Å; L539-R543 VanDerWaalsContact O-N 3.07Å |
| 540 | K | 85.8 | Confident | 80.2 | Confident | 96 Ų | 96 | 90.3 Ų | 90.3 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 167 | -72.2 | 161.7 | -159.5 | 149 | 0 | 111.1 | E536 D537 R543 L544 | E536-K540 VanDerWaalsContact O-CG 3.25Å; E536-K540 WeakPolarHBondContact O-CG 3.48Å; E536-K540 PolarHBondContact O-N 3.37Å; E536-K540 WeakPolarHBondContact OE1-CE 3.34Å; E536-K540 IonicContact OE1-NZ 2.66Å; E536-K540 PolarHBondContact OE1-NZ 3.39Å; D537-K540 PolarHBondContact O-N 2.91Å; D537-K540 WeakPolarHBondContact OD1-CD 3.43Å; D537-K540 IonicContact OD1-NZ 2.61Å; D537-K540 PolarHBondContact OD1-NZ 3.37Å; K540-R543 PolarHBondContact O-N 3.44Å; K540-L544 WeakPolarHBondContact O-CB 3.27Å; K540-L544 PolarHBondContact O-N 3Å |
| 541 | S | 80.8 | Confident | 81.1 | Confident | 59 Ų | 59 | 88.7 Ų | 88.7 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 178.7 | -170.3 | 0 | 0 | 0 | 0 | 111.6 | D537 D538 R543 L544 F545 | D537-S541 WeakPolarHBondContact O-CB 3.47Å; D537-S541 PolarHBondContact O-N 3.35Å; D538-S541 WeakPolarHBondContact O-CB 3.44Å; D538-S541 PolarHBondContact O-N 3.04Å; S541-R543 PolarHBondContact O-N 2.99Å; S541-L544 WeakPolarHBondContact O-CB 3.39Å; S541-L544 PolarHBondContact O-N 3.41Å; S541-F545 PolarHBondContact O-N 3.17Å |
| 542 | A | 81.5 | Confident | 81.9 | Confident | 49 Ų | 49 | 88.7 Ų | 88.7 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D538 F545 I546 | D538-A542 WeakPolarHBondContact O-CB 3.47Å; D538-A542 PolarHBondContact O-N 3.01Å; A542-F545 PolarHBondContact O-N 3.32Å; A542-I546 VanDerWaalsContact O-CG1 3.28Å; A542-I546 WeakPolarHBondContact O-CG1 3.35Å; A542-I546 PolarHBondContact O-N 3.13Å |
| 543 | R | 86.2 | Confident | 82.2 | Confident | 167 Ų | 167 | 93 Ų | 93 | 63% | 0.63 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | 173 | -78.6 | 173.7 | 173.6 | 178 | -1.5 | 112.1 | L539 K540 S541 F545 I546 S547 | L539-R543 WeakPolarHBondContact O-CB 3.46Å; L539-R543 VanDerWaalsContact O-CG 3.27Å; L539-R543 WeakPolarHBondContact O-CG 3.29Å; L539-R543 PolarHBondContact O-N 2.96Å; L539-R543 VanDerWaalsContact O-N 3.07Å; K540-R543 PolarHBondContact O-N 3.44Å; S541-R543 PolarHBondContact O-N 2.99Å; R543-F545 VanDerWaalsContact C-N 3.31Å; R543-F545 PolarHBondContact O-N 3.46Å; R543-I546 PolarHBondContact O-N 3.2Å; R543-S547 PolarHBondContact O-N 3.3Å; R543-S547 PolarHBondContact O-OG 2.77Å |
| 544 | L | 86.2 | Confident | 82.7 | Confident | 132 Ų | 132 | 95.6 Ų | 95.6 | 69% | 0.691 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 177.9 | -157.1 | 84.3 | 0 | 0 | 0 | 111.8 | K540 S541 K548 | K540-L544 WeakPolarHBondContact O-CB 3.27Å; K540-L544 PolarHBondContact O-N 3Å; S541-L544 WeakPolarHBondContact O-CB 3.39Å; S541-L544 PolarHBondContact O-N 3.41Å; L544-K548 PolarHBondContact O-N 2.88Å |
| 545 | F | 85.3 | Confident | 83.3 | Confident | 107 Ų | 107 | 99.5 Ų | 99.5 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 176.1 | -176.8 | -107.3 | 0 | 0 | 0 | 112.4 | S541 A542 R543 K548 L549 | S541-F545 PolarHBondContact O-N 3.17Å; A542-F545 PolarHBondContact O-N 3.32Å; R543-F545 VanDerWaalsContact C-N 3.31Å; R543-F545 PolarHBondContact O-N 3.46Å; F545-K548 PolarHBondContact O-N 2.98Å; F545-L549 HydrophobicContact CD1-CD1 4Å; F545-L549 HydrophobicContact CE1-CD1 3.46Å; F545-L549 VanDerWaalsContact CE1-CD1 3.46Å; F545-L549 HydrophobicContact CE1-CG 4.24Å; F545-L549 HydrophobicContact CZ-CD1 3.83Å; F545-L549 HydrophobicContact CZ-CG 4.23Å; F545-L549 PolarHBondContact O-N 2.96Å |
| 546 | I | 83.5 | Confident | 83.7 | Confident | 92 Ų | 92 | 100 Ų | 100 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 173.7 | -69.8 | 163.5 | 0 | 0 | 0 | 110.4 | A542 R543 K548 L549 Q550 | A542-I546 VanDerWaalsContact O-CG1 3.28Å; A542-I546 WeakPolarHBondContact O-CG1 3.35Å; A542-I546 PolarHBondContact O-N 3.13Å; R543-I546 PolarHBondContact O-N 3.2Å; I546-K548 VanDerWaalsContact C-N 3.28Å; I546-K548 PolarHBondContact O-N 3.28Å; I546-L549 PolarHBondContact O-N 3.04Å; I546-L549 VanDerWaalsContact O-N 3.14Å; I546-Q550 HydrophobicContact CG2-CG 4.41Å; I546-Q550 WeakPolarHBondContact O-CG 3.33Å; I546-Q550 PolarHBondContact O-N 3.38Å |
| 547 | S | 85 | Confident | 84 | Confident | 68 Ų | 68 | 99.5 Ų | 99.5 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -33.4 | 176.4 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | R543 S551 | R543-S547 PolarHBondContact O-N 3.3Å; R543-S547 PolarHBondContact O-OG 2.77Å; S547-S551 WeakPolarHBondContact O-CB 3.49Å; S547-S551 PolarHBondContact O-N 2.93Å |
| 548 | K | 87 | Confident | 84.3 | Confident | 110 Ų | 110 | 97 Ų | 97 | 48% | 0.478 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 173.8 | -173.1 | 170.1 | -177 | 172.3 | 0 | 112.2 | H512 L544 F545 I546 Q552 | H512-K548 PolarHBondContact CE1-NZ 3.01Å; H512-K548 PolarHBondContact NE2-NZ 3.47Å; L544-K548 PolarHBondContact O-N 2.88Å; F545-K548 PolarHBondContact O-N 2.98Å; I546-K548 VanDerWaalsContact C-N 3.28Å; I546-K548 PolarHBondContact O-N 3.28Å; K548-Q552 PolarHBondContact O-N 3.4Å; K548-Q552 VanDerWaalsContact O-N 3.1Å |
| 549 | L | 84.1 | Confident | 84.6 | Confident | 72 Ų | 72 | 95.6 Ų | 95.6 | 38% | 0.377 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 174.8 | -77.5 | 174.2 | 0 | 0 | 0 | 112.1 | F545 I546 Q552 F553 | F545-L549 HydrophobicContact CD1-CD1 4Å; F545-L549 HydrophobicContact CE1-CD1 3.46Å; F545-L549 VanDerWaalsContact CE1-CD1 3.46Å; F545-L549 HydrophobicContact CE1-CG 4.24Å; F545-L549 HydrophobicContact CZ-CD1 3.83Å; F545-L549 HydrophobicContact CZ-CG 4.23Å; F545-L549 PolarHBondContact O-N 2.96Å; I546-L549 PolarHBondContact O-N 3.04Å; I546-L549 VanDerWaalsContact O-N 3.14Å; L549-Q552 PolarHBondContact O-N 2.9Å; L549-F553 WeakPolarHBondContact O-CD2 3.34Å; L549-F553 PolarHBondContact O-N 2.98Å |
| 550 | Q | 83.2 | Confident | 84.6 | Confident | 111 Ų | 111 | 94.2 Ų | 94.2 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58 | -52 | 174.3 | -71.3 | 174 | -59.4 | 0 | 0 | 110.7 | I546 Q552 F553 D554 | I546-Q550 HydrophobicContact CG2-CG 4.41Å; I546-Q550 WeakPolarHBondContact O-CG 3.33Å; I546-Q550 PolarHBondContact O-N 3.38Å; Q550-Q552 PolarHBondContact O-N 3.37Å; Q550-Q552 VanDerWaalsContact O-N 3.16Å; Q550-F553 PolarHBondContact O-N 2.92Å; Q550-F553 VanDerWaalsContact O-N 3.1Å; Q550-D554 VanDerWaalsContact O-CG 3.3Å; Q550-D554 PolarHBondContact O-N 2.91Å |
| 551 | S | 85.3 | Confident | 84.7 | Confident | 70 Ų | 70 | 98.8 Ų | 98.8 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -30 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 113.9 | S547 E555 | S547-S551 WeakPolarHBondContact O-CB 3.49Å; S547-S551 PolarHBondContact O-N 2.93Å; S551-E555 WeakPolarHBondContact O-CB 3.3Å; S551-E555 PolarHBondContact O-N 3.49Å |
| 552 | Q | 84.2 | Confident | 84.9 | Confident | 92 Ų | 92 | 102.9 Ų | 102.9 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -78.4 | -40.7 | 176.4 | -171.6 | 180 | -26.4 | 0 | 0 | 111.6 | K548 L549 Q550 D554 E555 E556 | K548-Q552 PolarHBondContact O-N 3.4Å; K548-Q552 VanDerWaalsContact O-N 3.1Å; L549-Q552 PolarHBondContact O-N 2.9Å; Q550-Q552 PolarHBondContact O-N 3.37Å; Q550-Q552 VanDerWaalsContact O-N 3.16Å; Q552-D554 VanDerWaalsContact C-N 3.32Å; Q552-D554 PolarHBondContact O-N 3.41Å; Q552-E555 PolarHBondContact O-N 3.36Å; Q552-E556 WeakPolarHBondContact CG-OE1 3.43Å; Q552-E556 PolarHBondContact NE2-OE1 3.02Å; Q552-E556 WeakPolarHBondContact O-CG 3.42Å; Q552-E556 PolarHBondContact O-N 3.13Å |
| 553 | F | 83.3 | Confident | 85.2 | Confident | 132 Ų | 132 | 105 Ų | 105 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 172.1 | -94 | -74.6 | 0 | 0 | 0 | 111.9 | L549 Q550 E555 E556 L557 | L549-F553 WeakPolarHBondContact O-CD2 3.34Å; L549-F553 PolarHBondContact O-N 2.98Å; Q550-F553 PolarHBondContact O-N 2.92Å; Q550-F553 VanDerWaalsContact O-N 3.1Å; F553-E555 PolarHBondContact O-N 2.9Å; F553-E556 PolarHBondContact O-N 2.94Å; F553-L557 VanDerWaalsContact O-CB 3.23Å; F553-L557 WeakPolarHBondContact O-CB 3.49Å; F553-L557 VanDerWaalsContact O-CG 3.23Å; F553-L557 WeakPolarHBondContact O-CG 3.47Å; F553-L557 PolarHBondContact O-N 2.98Å |
| 554 | D | 84.7 | Confident | 85.2 | Confident | 111 Ų | 111 | 102.4 Ų | 102.4 | 59% | 0.594 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -39.2 | 176.4 | -66.9 | -33.5 | 0 | 0 | 0 | 112 | Q550 Q552 G558 | Q550-D554 VanDerWaalsContact O-CG 3.3Å; Q550-D554 PolarHBondContact O-N 2.91Å; Q552-D554 VanDerWaalsContact C-N 3.32Å; Q552-D554 PolarHBondContact O-N 3.41Å; D554-G558 PolarHBondContact O-N 2.9Å |
| 555 | E | 86 | Confident | 85.3 | Confident | 140 Ų | 140 | 103.1 Ų | 103.1 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.5 | -39.6 | 177.7 | -171.8 | 168.8 | -155.4 | 0 | 0 | 112.3 | S551 Q552 F553 S559 | S551-E555 WeakPolarHBondContact O-CB 3.3Å; S551-E555 PolarHBondContact O-N 3.49Å; Q552-E555 PolarHBondContact O-N 3.36Å; F553-E555 PolarHBondContact O-N 2.9Å; E555-S559 WeakPolarHBondContact O-CB 3.31Å; E555-S559 PolarHBondContact O-N 3.18Å; E555-S559 PolarHBondContact O-OG 2.96Å |
| 556 | E | 85.2 | Confident | 85.4 | Confident | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.5 | -41.2 | 174.7 | -72 | 179.8 | -153 | 0 | 0 | 111.8 | Q552 F553 S559 A560 | Q552-E556 WeakPolarHBondContact CG-OE1 3.43Å; Q552-E556 PolarHBondContact NE2-OE1 3.02Å; Q552-E556 WeakPolarHBondContact O-CG 3.42Å; Q552-E556 PolarHBondContact O-N 3.13Å; F553-E556 PolarHBondContact O-N 2.94Å; E556-S559 PolarHBondContact O-N 2.9Å; E556-A560 WeakPolarHBondContact O-CB 3.45Å; E556-A560 PolarHBondContact O-N 2.92Å |
| 557 | L | 84.8 | Confident | 85.7 | Confident | 100 Ų | 100 | 103.6 Ų | 103.6 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 173.8 | -75.9 | 169.3 | 0 | 0 | 0 | 112.4 | F553 A560 R561 | F553-L557 VanDerWaalsContact O-CB 3.23Å; F553-L557 WeakPolarHBondContact O-CB 3.49Å; F553-L557 VanDerWaalsContact O-CG 3.23Å; F553-L557 WeakPolarHBondContact O-CG 3.47Å; F553-L557 PolarHBondContact O-N 2.98Å; L557-A560 PolarHBondContact O-N 3.49Å; L557-R561 WeakPolarHBondContact O-CB 3.46Å; L557-R561 WeakPolarHBondContact O-CG 3.4Å; L557-R561 PolarHBondContact O-N 3.46Å |
| 558 | G | 87.6 | Confident | 85.9 | Confident | 37 Ų | 37 | 103.9 Ų | 103.9 | 38% | 0.381 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | D554 R561 Q562 | D554-G558 PolarHBondContact O-N 2.9Å; G558-R561 PolarHBondContact O-N 3.13Å; G558-Q562 WeakPolarHBondContact O-CB 3.35Å; G558-Q562 PolarHBondContact O-N 3.47Å |
| 559 | S | 84.1 | Confident | 86 | Confident | 68 Ų | 68 | 105 Ų | 105 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | E555 E556 Q562 L563 | E555-S559 WeakPolarHBondContact O-CB 3.31Å; E555-S559 PolarHBondContact O-N 3.18Å; E555-S559 PolarHBondContact O-OG 2.96Å; E556-S559 PolarHBondContact O-N 2.9Å; S559-Q562 PolarHBondContact O-N 3.28Å; S559-L563 WeakPolarHBondContact O-CB 3.4Å; S559-L563 PolarHBondContact O-N 3.17Å |
| 560 | A | 83.4 | Confident | 86.2 | Confident | 55 Ų | 55 | 108.5 Ų | 108.5 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E556 L557 L563 L564 | E556-A560 WeakPolarHBondContact O-CB 3.45Å; E556-A560 PolarHBondContact O-N 2.92Å; L557-A560 PolarHBondContact O-N 3.49Å; A560-L563 PolarHBondContact O-N 3.49Å; A560-L564 WeakPolarHBondContact O-CB 3.48Å; A560-L564 PolarHBondContact O-N 2.87Å |
| 561 | R | 86.4 | Confident | 86.2 | Confident | 193 Ų | 193 | 108.8 Ų | 108.8 | 73% | 0.728 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.4 | -44.5 | 174.3 | -77.2 | -179.1 | 179 | -119.5 | 1 | 111.9 | L557 G558 L563 L564 E565 | L557-R561 WeakPolarHBondContact O-CB 3.46Å; L557-R561 WeakPolarHBondContact O-CG 3.4Å; L557-R561 PolarHBondContact O-N 3.46Å; G558-R561 PolarHBondContact O-N 3.13Å; R561-L563 VanDerWaalsContact C-N 3.34Å; R561-L563 PolarHBondContact O-N 2.97Å; R561-L564 PolarHBondContact O-N 3.18Å; R561-E565 PolarHBondContact O-N 3.1Å |
| 562 | Q | 85.6 | Confident | 86.2 | Confident | 144 Ų | 144 | 108.8 Ų | 108.8 | 67% | 0.673 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.8 | -38.4 | 178.5 | -170.7 | 173.9 | 36.3 | 0 | 0 | 112.2 | G558 S559 E565 E566 | G558-Q562 WeakPolarHBondContact O-CB 3.35Å; G558-Q562 PolarHBondContact O-N 3.47Å; S559-Q562 PolarHBondContact O-N 3.28Å; Q562-E565 PolarHBondContact O-N 2.88Å; Q562-E566 PolarHBondContact O-N 3.49Å; Q562-E566 VanDerWaalsContact O-N 3.07Å |
| 563 | L | 88.4 | Confident | 86.2 | Confident | 95 Ų | 95 | 109.1 Ų | 109.1 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 173.8 | -179.1 | 61.7 | 0 | 0 | 0 | 111.5 | S559 A560 R561 E566 K567 | S559-L563 WeakPolarHBondContact O-CB 3.4Å; S559-L563 PolarHBondContact O-N 3.17Å; A560-L563 PolarHBondContact O-N 3.49Å; R561-L563 VanDerWaalsContact C-N 3.34Å; R561-L563 PolarHBondContact O-N 2.97Å; L563-E566 PolarHBondContact O-N 3.26Å; L563-K567 WeakPolarHBondContact O-CG 3.47Å; L563-K567 PolarHBondContact O-N 3.44Å |
| 564 | L | 86.3 | Confident | 86.3 | Confident | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.1 | -44.8 | 176.1 | -177.4 | 61.3 | 0 | 0 | 0 | 111.3 | A560 R561 E566 K567 T568 | A560-L564 WeakPolarHBondContact O-CB 3.48Å; A560-L564 PolarHBondContact O-N 2.87Å; R561-L564 PolarHBondContact O-N 3.18Å; L564-E566 VanDerWaalsContact C-N 3.35Å; L564-E566 PolarHBondContact O-N 3Å; L564-K567 PolarHBondContact O-N 3.4Å; L564-K567 VanDerWaalsContact O-N 3.09Å; L564-T568 PolarHBondContact O-N 3.5Å; L564-T568 PolarHBondContact O-OG1 3.43Å; L564-T568 VanDerWaalsContact O-OG1 3.1Å |
| 565 | E | 87.2 | Confident | 86.2 | Confident | 146 Ų | 146 | 108.2 Ų | 108.2 | 68% | 0.682 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | 176.5 | -168 | 179.1 | -172.8 | 0 | 0 | 112.2 | R561 Q562 K569 | R561-E565 PolarHBondContact O-N 3.1Å; Q562-E565 PolarHBondContact O-N 2.88Å; E565-K569 VanDerWaalsContact O-CB 3.27Å; E565-K569 WeakPolarHBondContact O-CB 3.41Å; E565-K569 PolarHBondContact O-N 3.48Å |
| 566 | E | 88.6 | Confident | 85.9 | Confident | 97 Ų | 97 | 107.8 Ų | 107.8 | 45% | 0.453 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 172.3 | -161.7 | -150 | 130.1 | 0 | 0 | 111.6 | Q562 L563 L564 R570 | Q562-E566 PolarHBondContact O-N 3.49Å; Q562-E566 VanDerWaalsContact O-N 3.07Å; L563-E566 PolarHBondContact O-N 3.26Å; L564-E566 VanDerWaalsContact C-N 3.35Å; L564-E566 PolarHBondContact O-N 3Å; E566-R570 VanDerWaalsContact O-CB 3.23Å; E566-R570 WeakPolarHBondContact O-CB 3.23Å; E566-R570 PolarHBondContact O-N 2.84Å; E566-R570 IonicContact OE1-NH1 3.23Å; E566-R570 PolarHBondContact OE1-NH1 2.94Å |
| 567 | K | 89 | Confident | 85.8 | Confident | 113 Ų | 113 | 106.9 Ų | 106.9 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 178.6 | -64.1 | -59 | 177.8 | -173.8 | 0 | 111.9 | L563 L564 R570 L571 | L563-K567 WeakPolarHBondContact O-CG 3.47Å; L563-K567 PolarHBondContact O-N 3.44Å; L564-K567 PolarHBondContact O-N 3.4Å; L564-K567 VanDerWaalsContact O-N 3.09Å; K567-R570 PolarHBondContact O-N 3.45Å; K567-L571 PolarHBondContact O-N 3.31Å |
| 568 | T | 88.7 | Confident | 85.4 | Confident | 73 Ų | 73 | 107 Ų | 107 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | L564 R570 L571 C572 | L564-T568 PolarHBondContact O-N 3.5Å; L564-T568 PolarHBondContact O-OG1 3.43Å; L564-T568 VanDerWaalsContact O-OG1 3.1Å; T568-R570 VanDerWaalsContact C-N 3.28Å; T568-R570 PolarHBondContact O-N 2.9Å; T568-L571 WeakPolarHBondContact O-CB 3.5Å; T568-L571 PolarHBondContact O-N 3.44Å; T568-L571 VanDerWaalsContact O-N 3.14Å; T568-C572 PolarHBondContact O-N 2.86Å; T568-C572 PolarHBondContact O-SG 3.29Å; T568-C572 VanDerWaalsContact O-SG 3.32Å |
| 569 | K | 89.6 | Confident | 84.9 | Confident | 135 Ų | 135 | 108.4 Ų | 108.4 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.3 | -42.6 | 174.3 | 179.6 | 176 | 174.5 | -179.7 | 0 | 112.1 | E565 L571 C572 E573 | E565-K569 VanDerWaalsContact O-CB 3.27Å; E565-K569 WeakPolarHBondContact O-CB 3.41Å; E565-K569 PolarHBondContact O-N 3.48Å; K569-L571 VanDerWaalsContact C-N 3.33Å; K569-C572 PolarHBondContact O-N 3.17Å; K569-E573 WeakPolarHBondContact CE-OE1 3.46Å; K569-E573 WeakPolarHBondContact O-CG 3.32Å; K569-E573 PolarHBondContact O-N 3.45Å |
| 570 | R | 87.7 | Confident | 84.4 | Confident | 144 Ų | 144 | 109.6 Ų | 109.6 | 54% | 0.543 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71 | -27.3 | 179.8 | -163.3 | 170.2 | -170.5 | 146.5 | 1.7 | 113.2 | E566 K567 T568 L574 | E566-R570 VanDerWaalsContact O-CB 3.23Å; E566-R570 WeakPolarHBondContact O-CB 3.23Å; E566-R570 PolarHBondContact O-N 2.84Å; E566-R570 IonicContact OE1-NH1 3.23Å; E566-R570 PolarHBondContact OE1-NH1 2.94Å; K567-R570 PolarHBondContact O-N 3.45Å; T568-R570 VanDerWaalsContact C-N 3.28Å; T568-R570 PolarHBondContact O-N 2.9Å; R570-L574 VanDerWaalsContact O-CG 3.3Å; R570-L574 WeakPolarHBondContact O-CG 3.46Å; R570-L574 PolarHBondContact O-N 3.08Å |
| 571 | L | 84.9 | Confident | 83.7 | Confident | 117 Ų | 117 | 115.8 Ų | 115.8 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.2 | -50.2 | 166.8 | -92.6 | 162.2 | 0 | 0 | 0 | 110.8 | K567 T568 K569 E573 L574 E575 | K567-L571 PolarHBondContact O-N 3.31Å; T568-L571 WeakPolarHBondContact O-CB 3.5Å; T568-L571 PolarHBondContact O-N 3.44Å; T568-L571 VanDerWaalsContact O-N 3.14Å; K569-L571 VanDerWaalsContact C-N 3.33Å; L571-E573 VanDerWaalsContact C-N 3.31Å; L571-E573 PolarHBondContact O-N 3.02Å; L571-L574 PolarHBondContact O-N 3.43Å; L571-E575 WeakPolarHBondContact O-CB 3.33Å; L571-E575 PolarHBondContact O-N 2.85Å |
| 572 | C | 84.2 | Confident | 82.1 | Confident | 70 Ų | 70 | 111.9 Ų | 111.9 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | T568 K569 Q576 | T568-C572 PolarHBondContact O-N 2.86Å; T568-C572 PolarHBondContact O-SG 3.29Å; T568-C572 VanDerWaalsContact O-SG 3.32Å; K569-C572 PolarHBondContact O-N 3.17Å; C572-Q576 VanDerWaalsContact O-CB 3.24Å; C572-Q576 WeakPolarHBondContact O-CB 3.34Å; C572-Q576 PolarHBondContact O-N 2.78Å |
| 573 | E | 84.6 | Confident | 80.4 | Confident | 99 Ų | 99 | 108.9 Ų | 108.9 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 173.8 | -75 | 175.7 | -170.9 | 0 | 0 | 112.1 | K569 L571 I577 | K569-E573 WeakPolarHBondContact CE-OE1 3.46Å; K569-E573 WeakPolarHBondContact O-CG 3.32Å; K569-E573 PolarHBondContact O-N 3.45Å; L571-E573 VanDerWaalsContact C-N 3.31Å; L571-E573 PolarHBondContact O-N 3.02Å; E573-I577 WeakPolarHBondContact O-CD1 3.39Å; E573-I577 WeakPolarHBondContact O-CG1 3.16Å; E573-I577 PolarHBondContact O-N 3.11Å; E573-I577 VanDerWaalsContact O-N 3.13Å |
| 574 | L | 85 | Confident | 78.5 | Confident | 98 Ų | 98 | 110.8 Ų | 110.8 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.3 | -43.1 | 176.8 | -75 | 169.3 | 0 | 0 | 0 | 112.6 | R570 L571 I577 I578 | R570-L574 VanDerWaalsContact O-CG 3.3Å; R570-L574 WeakPolarHBondContact O-CG 3.46Å; R570-L574 PolarHBondContact O-N 3.08Å; L571-L574 PolarHBondContact O-N 3.43Å; L574-I577 WeakPolarHBondContact O-CB 3.46Å; L574-I577 PolarHBondContact O-N 2.88Å; L574-I577 VanDerWaalsContact O-N 3.16Å; L574-I578 WeakPolarHBondContact O-CG1 3.43Å; L574-I578 PolarHBondContact O-N 2.88Å |
| 575 | E | 83.1 | Confident | 76.3 | Confident | 127 Ų | 127 | 111.2 Ų | 111.2 | 59% | 0.593 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.4 | -47.4 | 175.6 | -176.4 | 175.8 | -145.4 | 0 | 0 | 110.5 | L571 I577 I578 S579 | L571-E575 WeakPolarHBondContact O-CB 3.33Å; L571-E575 PolarHBondContact O-N 2.85Å; E575-I577 VanDerWaalsContact C-N 3.28Å; E575-I577 PolarHBondContact O-N 2.86Å; E575-I578 CarbonylContact O-C 3.57Å; E575-I578 WeakPolarHBondContact O-CA 3.36Å; E575-I578 WeakPolarHBondContact O-CB 3.37Å; E575-I578 PolarHBondContact O-N 3.4Å; E575-S579 PolarHBondContact O-N 3.2Å; E575-S579 PolarHBondContact O-OG 2.67Å; E575-S579 VanDerWaalsContact O-OG 3.11Å |
| 576 | Q | 80.4 | Confident | 73.9 | Confident | 130 Ų | 130 | 112.1 Ų | 112.1 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.2 | -32.2 | 176 | -170.8 | 168.8 | 90.3 | 0 | 0 | 112.5 | C572 N580 | C572-Q576 VanDerWaalsContact O-CB 3.24Å; C572-Q576 WeakPolarHBondContact O-CB 3.34Å; C572-Q576 PolarHBondContact O-N 2.78Å; Q576-N580 WeakPolarHBondContact O-CB 3.38Å; Q576-N580 PolarHBondContact O-N 2.72Å; Q576-N580 PolarHBondContact O-ND2 3.42Å |
| 577 | I | 82.3 | Confident | 71.3 | Confident | 92 Ų | 92 | 114.1 Ų | 114.1 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.6 | -34.5 | 170.6 | -73 | 164.1 | 0 | 0 | 0 | 111.9 | E573 L574 E575 R581 | E573-I577 WeakPolarHBondContact O-CD1 3.39Å; E573-I577 WeakPolarHBondContact O-CG1 3.16Å; E573-I577 PolarHBondContact O-N 3.11Å; E573-I577 VanDerWaalsContact O-N 3.13Å; L574-I577 WeakPolarHBondContact O-CB 3.46Å; L574-I577 PolarHBondContact O-N 2.88Å; L574-I577 VanDerWaalsContact O-N 3.16Å; E575-I577 VanDerWaalsContact C-N 3.28Å; E575-I577 PolarHBondContact O-N 2.86Å; I577-R581 WeakPolarHBondContact O-CB 3.37Å; I577-R581 VanDerWaalsContact O-CG 3.27Å; I577-R581 WeakPolarHBondContact O-CG 3.45Å; I577-R581 PolarHBondContact O-N 2.92Å |
| 578 | I | 76.5 | Confident | 68.8 | Low | 102 Ų | 102 | 115.4 Ų | 115.4 | 52% | 0.523 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.1 | -48.5 | 177.1 | -67.9 | 163.7 | 0 | 0 | 0 | 110.5 | L574 E575 N580 R581 L582 | L574-I578 WeakPolarHBondContact O-CG1 3.43Å; L574-I578 PolarHBondContact O-N 2.88Å; E575-I578 CarbonylContact O-C 3.57Å; E575-I578 WeakPolarHBondContact O-CA 3.36Å; E575-I578 WeakPolarHBondContact O-CB 3.37Å; E575-I578 PolarHBondContact O-N 3.4Å; I578-N580 PolarHBondContact O-N 2.8Å; I578-R581 WeakPolarHBondContact O-CA 3.38Å; I578-R581 WeakPolarHBondContact O-CB 3.33Å; I578-R581 PolarHBondContact O-N 3.43Å; I578-L582 HydrophobicContact CG2-CD1 4.2Å; I578-L582 PolarHBondContact O-N 2.9Å |
| 579 | S | 77 | Confident | 66.3 | Low | 67 Ų | 67 | 118.8 Ų | 118.8 | 47% | 0.469 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -56.8 | -48 | 176.1 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | E575 R581 L582 S583 | E575-S579 PolarHBondContact O-N 3.2Å; E575-S579 PolarHBondContact O-OG 2.67Å; E575-S579 VanDerWaalsContact O-OG 3.11Å; S579-R581 PolarHBondContact O-N 2.87Å; S579-R581 VanDerWaalsContact O-N 3.14Å; S579-L582 PolarHBondContact O-N 3.06Å; S579-S583 WeakPolarHBondContact O-CB 3.45Å; S579-S583 PolarHBondContact O-N 3.38Å; S579-S583 PolarHBondContact O-OG 2.98Å |
| 580 | N | 74.6 | Confident | 64 | Low | 92 Ų | 92 | 117.2 Ų | 117.2 | 49% | 0.492 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.7 | -13.6 | 176.3 | -74.9 | -35.1 | 0 | 0 | 0 | 114 | Q576 I578 I584 | Q576-N580 WeakPolarHBondContact O-CB 3.38Å; Q576-N580 PolarHBondContact O-N 2.72Å; Q576-N580 PolarHBondContact O-ND2 3.42Å; I578-N580 PolarHBondContact O-N 2.8Å; N580-I584 WeakPolarHBondContact O-CD1 3.3Å; N580-I584 WeakPolarHBondContact O-CG1 3.39Å |
| 581 | R | 68.3 | Low | 61.4 | Low | 185 Ų | 185 | 117 Ų | 117 | 70% | 0.698 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -95 | -35 | 174 | -80.1 | 175 | 172.4 | -122.5 | -2.2 | 112.7 | I577 I578 S579 | I577-R581 WeakPolarHBondContact O-CB 3.37Å; I577-R581 VanDerWaalsContact O-CG 3.27Å; I577-R581 WeakPolarHBondContact O-CG 3.45Å; I577-R581 PolarHBondContact O-N 2.92Å; I578-R581 WeakPolarHBondContact O-CA 3.38Å; I578-R581 WeakPolarHBondContact O-CB 3.33Å; I578-R581 PolarHBondContact O-N 3.43Å; S579-R581 PolarHBondContact O-N 2.87Å; S579-R581 VanDerWaalsContact O-N 3.14Å |
| 582 | L | 51.4 | Low | 59.3 | Low | 112 Ų | 112 | 116.8 Ų | 116.8 | 59% | 0.586 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.7 | -43.6 | 171.9 | -97.8 | 66.8 | 0 | 0 | 0 | 111 | I578 S579 I584 T585 | I578-L582 HydrophobicContact CG2-CD1 4.2Å; I578-L582 PolarHBondContact O-N 2.9Å; S579-L582 PolarHBondContact O-N 3.06Å; L582-I584 PolarHBondContact O-N 3.28Å; L582-T585 PolarHBondContact O-N 3.42Å; L582-T585 VanDerWaalsContact O-N 3.14Å; L582-T585 PolarHBondContact O-OG1 2.83Å |
| 583 | S | 50.3 | Low | 56.8 | Low | 80 Ų | 80 | 122 Ų | 122 | 56% | 0.559 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 9.9 | -178.6 | 71.3 | 0 | 0 | 0 | 0 | 115.6 | S579 | S579-S583 WeakPolarHBondContact O-CB 3.45Å; S579-S583 PolarHBondContact O-N 3.38Å; S579-S583 PolarHBondContact O-OG 2.98Å |
| 584 | I | 48.2 | Very low | 54.4 | Low | 136 Ų | 136 | 122.4 Ų | 122.4 | 70% | 0.697 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -6.7 | 175.4 | -69.4 | 174.6 | 0 | 0 | 0 | 111.4 | N580 L582 | N580-I584 WeakPolarHBondContact O-CD1 3.3Å; N580-I584 WeakPolarHBondContact O-CG1 3.39Å; L582-I584 PolarHBondContact O-N 3.28Å |
| 585 | T | 41.8 | Very low | 52.1 | Low | 121 Ų | 121 | 125.2 Ų | 125.2 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -105.3 | -13.9 | -173.3 | -27 | 0 | 0 | 0 | 0 | 114.6 | L582 | L582-T585 PolarHBondContact O-N 3.42Å; L582-T585 VanDerWaalsContact O-N 3.14Å; L582-T585 PolarHBondContact O-OG1 2.83Å |
| 586 | E | 35.9 | Very low | 49.6 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -132.5 | 144.1 | 171.5 | -73.5 | -168.3 | 116.3 | 0 | 0 | 111.7 | ||
| 587 | T | 34.4 | Very low | 47.3 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 65.8 | 71.8 | 174.3 | 64.6 | 0 | 0 | 0 | 0 | 118.3 | ||
| 588 | T | 36.5 | Very low | 44.7 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | trans | -156.1 | 137.1 | 138.5 | 6.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 589 | D | 36.4 | Very low | 42.5 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | S | Bend | -159.4 | 160.3 | 68.6 | -153.9 | -4.2 | 0 | 0 | 0 | 113.9 | |||
| 590 | V | 41.2 | Very low | 40.3 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 62% | 0.618 | 74% | 0.74 | S | S | * | * | trans | 53.9 | 88 | 168.7 | -159.8 | 0 | 0 | 0 | 0 | 119.4 | T592 | V590-T592 HydrophobicContact CG1-CG2 4.22Š| ||
| 591 | T | 33.5 | Very low | 38.3 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -82.9 | 109.3 | 146.6 | 49.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 592 | T | 40.6 | Very low | 36.4 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | -138.4 | 102 | 156.9 | 50 | 0 | 0 | 0 | 0 | 107.5 | V590 | V590-T592 HydrophobicContact CG1-CG2 4.22Š| ||
| 593 | Q | 31.9 | Very low | 35.7 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | 60 | 134.6 | 82.5 | -72.2 | -160.2 | -0.6 | 0 | 0 | 115.1 | |||||
| 594 | T | 34 | Very low | 34.9 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | trans | 98.1 | 115.5 | 150.1 | -53.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 595 | E | 36 | Very low | 34.4 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 69.6 | 97.3 | 150.4 | -72.2 | 161.6 | -152.5 | 0 | 0 | 122.3 | ||||
| 596 | M | 30.4 | Very low | 34.1 | Very low | 166 Ų | 166 | 136 Ų | 136 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 27.3 | 123 | 111.4 | -57.2 | -172.4 | -64.2 | 0 | 0 | 119 | |||||
| 597 | S | 31.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -168.9 | 123.6 | 122.1 | -86.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 598 | C | 27.7 | Very low | 34.4 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 92% | 0.919 | 78% | 0.775 | S | S | * | * | trans | -92 | 121.5 | 164 | -63.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 599 | T | 31.7 | Very low | 34.7 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -138.6 | 96 | 172.8 | -44 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 600 | T | 29.7 | Very low | 35.1 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -58.9 | 134.4 | 164.6 | -46.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 601 | R | 32.7 | Very low | 35.2 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | -142.6 | 99.5 | 165.7 | -170.2 | 166.4 | 175.3 | 162.5 | -1.8 | 114.2 | ||||
| 602 | T | 29.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | -73.9 | 134.7 | 167.3 | -29.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 603 | T | 36.1 | Very low | 35.9 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 64% | 0.638 | 78% | 0.78 | S | S | * | * | trans | -159.2 | 116.6 | 151.3 | 38.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 604 | T | 32.5 | Very low | 36.8 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | 72.1 | 154.5 | 53.6 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 605 | T | 38.2 | Very low | 37.7 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 76.5 | 112.9 | -167.8 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 606 | S | 36.4 | Very low | 38.4 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | cis | -153.9 | 166.7 | -3.9 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 607 | L | 37.9 | Very low | 39.7 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -141.7 | 118 | 168.2 | -161.2 | 177.3 | 0 | 0 | 0 | 106.2 | ||||
| 608 | N | 38.1 | Very low | 41.1 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -157.7 | 99.6 | -178.7 | -117.2 | -7.5 | 0 | 0 | 0 | 110.1 | ||||
| 609 | E | 42.4 | Very low | 42.7 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | -178.4 | 148.7 | 130.3 | -103.9 | 174.8 | -164.3 | 0 | 0 | 111.8 | ||||
| 610 | L | 45.1 | Very low | 44.4 | Very low | 145 Ų | 145 | 129 Ų | 129 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | 69 | 74.4 | 168 | -52.2 | -179.1 | 0 | 0 | 0 | 120.3 | ||||
| 611 | L | 43.2 | Very low | 46.6 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | 58.9 | 107.6 | 118.9 | -63.2 | 161.2 | 0 | 0 | 0 | 121.4 | |||||
| 612 | S | 42.8 | Very low | 48.6 | Very low | 114 Ų | 114 | 122 Ų | 122 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | 179 | 106.4 | 128.2 | -80.8 | 0 | 0 | 0 | 0 | 111.8 | E614 | S612-E614 PolarHBondContact O-N 2.92Š| |||
| 613 | P | 46.6 | Very low | 50.7 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -78.2 | -7.8 | -167.4 | -20.4 | 34.6 | 0 | 0 | 0 | 118.8 | L615 | P613-L615 PolarHBondContact O-N 2.86Š|
| 614 | E | 51.1 | Low | 52.7 | Low | 189 Ų | 189 | 123.4 Ų | 123.4 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -88.6 | -5.6 | -156.8 | -156 | 160.9 | -170.6 | 0 | 0 | 116.1 | S612 | S612-E614 PolarHBondContact O-N 2.92Š|
| 615 | L | 52.3 | Low | 55 | Low | 125 Ų | 125 | 121.2 Ų | 121.2 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -107.5 | 2.1 | -177.2 | -80.1 | 166.1 | 0 | 0 | 0 | 115.3 | P613 A618 L619 | P613-L615 PolarHBondContact O-N 2.86Å; L615-A618 PolarHBondContact O-N 2.85Å; L615-L619 HydrophobicContact CB-CD1 4.42Å; L615-L619 PolarHBondContact O-N 3.17Å |
| 616 | L | 50.5 | Low | 56.8 | Low | 113 Ų | 113 | 117.7 Ų | 117.7 | 59% | 0.592 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -55.1 | -41 | -172.8 | -83.5 | 161.5 | 0 | 0 | 0 | 115.8 | A618 T620 | L616-A618 PolarHBondContact O-N 3.15Å; L616-T620 PolarHBondContact O-N 3.32Å; L616-T620 PolarHBondContact O-OG1 3.11Å |
| 617 | P | 58 | Low | 58.7 | Low | 96 Ų | 96 | 114.5 Ų | 114.5 | 62% | 0.623 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.6 | -31.1 | -178 | -22.8 | 35 | 0 | 0 | 0 | 114.6 | T620 V621 | P617-T620 WeakPolarHBondContact CA-OG1 3.49Å; P617-T620 PolarHBondContact O-OG1 2.97Å; P617-T620 VanDerWaalsContact O-OG1 3.11Å; P617-V621 WeakPolarHBondContact O-CG2 3.23Å |
| 618 | A | 61.3 | Low | 60.6 | Low | 54 Ų | 54 | 108.8 Ų | 108.8 | 45% | 0.446 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74.9 | -50.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L615 L616 T620 V621 D622 | L615-A618 PolarHBondContact O-N 2.85Å; L616-A618 PolarHBondContact O-N 3.15Å; A618-T620 PolarHBondContact O-N 3.21Å; A618-V621 PolarHBondContact O-N 3.08Å; A618-V621 VanDerWaalsContact O-N 3.1Å; A618-D622 PolarHBondContact O-N 3.1Å; A618-D622 VanDerWaalsContact O-N 3.08Å |
| 619 | L | 60.2 | Low | 62.4 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 60% | 0.602 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.3 | -29.6 | 179.5 | -83.3 | 162 | 0 | 0 | 0 | 113.3 | L615 A623 | L615-L619 HydrophobicContact CB-CD1 4.42Å; L615-L619 PolarHBondContact O-N 3.17Å; L619-A623 WeakPolarHBondContact O-CB 3.47Å; L619-A623 PolarHBondContact O-N 2.77Å |
| 620 | T | 68.1 | Low | 64 | Low | 74 Ų | 74 | 97.4 Ų | 97.4 | 45% | 0.454 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.9 | -33.8 | 177.4 | 39.9 | 0 | 0 | 0 | 0 | 113.2 | L616 P617 A618 Y624 | L616-T620 PolarHBondContact O-N 3.32Å; L616-T620 PolarHBondContact O-OG1 3.11Å; P617-T620 WeakPolarHBondContact CA-OG1 3.49Å; P617-T620 PolarHBondContact O-OG1 2.97Å; P617-T620 VanDerWaalsContact O-OG1 3.11Å; A618-T620 PolarHBondContact O-N 3.21Å; T620-Y624 PolarHBondContact O-N 3.44Å |
| 621 | V | 74.3 | Confident | 65.6 | Low | 92 Ų | 92 | 95.7 Ų | 95.7 | 56% | 0.558 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.5 | -41.6 | 173.6 | 174 | 0 | 0 | 0 | 0 | 111.2 | P617 A618 Y624 S625 | P617-V621 WeakPolarHBondContact O-CG2 3.23Å; A618-V621 PolarHBondContact O-N 3.08Å; A618-V621 VanDerWaalsContact O-N 3.1Å; V621-Y624 PolarHBondContact O-N 3.05Å; V621-S625 WeakPolarHBondContact O-CB 3.29Å; V621-S625 PolarHBondContact O-N 3.28Å; V621-S625 PolarHBondContact O-OG 3.09Å |
| 622 | D | 76.3 | Confident | 67.4 | Low | 109 Ų | 109 | 96.5 Ų | 96.5 | 58% | 0.583 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.2 | -41.2 | 175.1 | -77.8 | -22.1 | 0 | 0 | 0 | 111.5 | A618 S625 A626 | A618-D622 PolarHBondContact O-N 3.1Å; A618-D622 VanDerWaalsContact O-N 3.08Å; D622-S625 PolarHBondContact O-N 2.97Å; D622-A626 VanDerWaalsContact O-CB 3.29Å; D622-A626 WeakPolarHBondContact O-CB 3.35Å; D622-A626 PolarHBondContact O-N 3.17Å |
| 623 | A | 74.3 | Confident | 69 | Low | 60 Ų | 60 | 99.8 Ų | 99.8 | 50% | 0.496 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.4 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L619 A626 A627 | L619-A623 WeakPolarHBondContact O-CB 3.47Å; L619-A623 PolarHBondContact O-N 2.77Å; A623-A626 PolarHBondContact O-N 2.81Å; A623-A627 WeakPolarHBondContact O-CB 3.18Å; A623-A627 PolarHBondContact O-N 2.81Å |
| 624 | Y | 77.9 | Confident | 70.7 | Confident | 191 Ų | 191 | 96.5 Ų | 96.5 | 75% | 0.749 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -40.3 | 174.1 | -105.1 | -78.9 | 0 | 0 | 0 | 112.3 | T620 V621 A627 A628 | T620-Y624 PolarHBondContact O-N 3.44Å; V621-Y624 PolarHBondContact O-N 3.05Å; Y624-A627 PolarHBondContact O-N 3.02Å; Y624-A628 WeakPolarHBondContact O-CB 3.15Å; Y624-A628 PolarHBondContact O-N 2.89Å |
| 625 | S | 80 | Confident | 72.2 | Confident | 64 Ų | 64 | 93.6 Ų | 93.6 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | V621 D622 A629 | V621-S625 WeakPolarHBondContact O-CB 3.29Å; V621-S625 PolarHBondContact O-N 3.28Å; V621-S625 PolarHBondContact O-OG 3.09Å; D622-S625 PolarHBondContact O-N 2.97Å; S625-A629 VanDerWaalsContact O-CB 3.3Å; S625-A629 WeakPolarHBondContact O-CB 3.47Å; S625-A629 PolarHBondContact O-N 2.67Å |
| 626 | A | 77 | Confident | 73.7 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D622 A623 A629 A630 | D622-A626 VanDerWaalsContact O-CB 3.29Å; D622-A626 WeakPolarHBondContact O-CB 3.35Å; D622-A626 PolarHBondContact O-N 3.17Å; A623-A626 PolarHBondContact O-N 2.81Å; A626-A629 PolarHBondContact O-N 3.24Å; A626-A630 WeakPolarHBondContact O-CB 3.49Å; A626-A630 PolarHBondContact O-N 3.18Å |
| 627 | A | 75.7 | Confident | 75.4 | Confident | 46 Ų | 46 | 90.8 Ų | 90.8 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -51.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | A623 Y624 A629 A630 D631 | A623-A627 WeakPolarHBondContact O-CB 3.18Å; A623-A627 PolarHBondContact O-N 2.81Å; Y624-A627 PolarHBondContact O-N 3.02Å; A627-A629 PolarHBondContact O-N 3.08Å; A627-A629 VanDerWaalsContact O-N 3.15Å; A627-A630 CarbonylContact O-C 3.58Å; A627-A630 WeakPolarHBondContact O-CA 3.32Å; A627-A630 WeakPolarHBondContact O-CB 3.3Å; A627-A630 PolarHBondContact O-N 3.29Å; A627-D631 PolarHBondContact O-N 3.1Å |
| 628 | A | 77.4 | Confident | 76.7 | Confident | 41 Ų | 41 | 90.2 Ų | 90.2 | 34% | 0.339 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -19.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y624 R632 | Y624-A628 WeakPolarHBondContact O-CB 3.15Å; Y624-A628 PolarHBondContact O-N 2.89Å; A628-R632 WeakPolarHBondContact O-CG 3.41Å; A628-R632 PolarHBondContact O-N 3.34Å; A628-R632 PolarHBondContact O-NE 3.09Å; A628-R632 PolarHBondContact O-NH2 2.88Å |
| 629 | A | 76.5 | Confident | 78 | Confident | 36 Ų | 36 | 92.3 Ų | 92.3 | 30% | 0.298 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -82.2 | -34.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S625 A626 A627 R633 | S625-A629 VanDerWaalsContact O-CB 3.3Å; S625-A629 WeakPolarHBondContact O-CB 3.47Å; S625-A629 PolarHBondContact O-N 2.67Å; A626-A629 PolarHBondContact O-N 3.24Å; A627-A629 PolarHBondContact O-N 3.08Å; A627-A629 VanDerWaalsContact O-N 3.15Å; A629-R633 VanDerWaalsContact O-CG 3.31Å; A629-R633 WeakPolarHBondContact O-CG 3.31Å; A629-R633 PolarHBondContact O-N 2.86Å; A629-R633 VanDerWaalsContact O-N 3.08Å |
| 630 | A | 75.2 | Confident | 79.3 | Confident | 58 Ų | 58 | 91.5 Ų | 91.5 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A626 A627 R632 R633 G634 | A626-A630 WeakPolarHBondContact O-CB 3.49Å; A626-A630 PolarHBondContact O-N 3.18Å; A627-A630 CarbonylContact O-C 3.58Å; A627-A630 WeakPolarHBondContact O-CA 3.32Å; A627-A630 WeakPolarHBondContact O-CB 3.3Å; A627-A630 PolarHBondContact O-N 3.29Å; A630-R632 PolarHBondContact O-N 2.56Å; A630-R633 CarbonylContact O-C 3.42Å; A630-R633 WeakPolarHBondContact O-CB 3.41Å; A630-R633 PolarHBondContact O-N 3.41Å; A630-R633 VanDerWaalsContact O-N 3.11Å; A630-G634 PolarHBondContact O-N 3.16Å |
| 631 | D | 79.5 | Confident | 80.4 | Confident | 109 Ų | 109 | 93.2 Ų | 93.2 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 177.1 | -66.1 | -23.6 | 0 | 0 | 0 | 111.7 | A627 R633 G634 L635 | A627-D631 PolarHBondContact O-N 3.1Å; D631-R633 VanDerWaalsContact C-N 3.3Å; D631-R633 PolarHBondContact O-N 2.93Å; D631-G634 PolarHBondContact O-N 2.88Å; D631-G634 VanDerWaalsContact O-N 3.17Å; D631-L635 WeakPolarHBondContact O-CG 3.44Å; D631-L635 PolarHBondContact O-N 2.81Å |
| 632 | R | 79.5 | Confident | 81.2 | Confident | 170 Ų | 170 | 92.3 Ų | 92.3 | 64% | 0.642 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -32.9 | 174.8 | -79.3 | 179.4 | -71.8 | 179.3 | -1.8 | 112.8 | A628 A630 S636 | A628-R632 WeakPolarHBondContact O-CG 3.41Å; A628-R632 PolarHBondContact O-N 3.34Å; A628-R632 PolarHBondContact O-NE 3.09Å; A628-R632 PolarHBondContact O-NH2 2.88Å; A630-R632 PolarHBondContact O-N 2.56Å; R632-S636 VanDerWaalsContact O-CB 3.29Å; R632-S636 WeakPolarHBondContact O-CB 3.47Å; R632-S636 PolarHBondContact O-N 2.83Å |
| 633 | R | 77.7 | Confident | 81.8 | Confident | 183 Ų | 183 | 93 Ų | 93 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.8 | -39.2 | 171.2 | -74.3 | 172.9 | 178.6 | -172.1 | 0.1 | 111.9 | A629 A630 D631 S636 N637 | A629-R633 VanDerWaalsContact O-CG 3.31Å; A629-R633 WeakPolarHBondContact O-CG 3.31Å; A629-R633 PolarHBondContact O-N 2.86Å; A629-R633 VanDerWaalsContact O-N 3.08Å; A630-R633 CarbonylContact O-C 3.42Å; A630-R633 WeakPolarHBondContact O-CB 3.41Å; A630-R633 PolarHBondContact O-N 3.41Å; A630-R633 VanDerWaalsContact O-N 3.11Å; D631-R633 VanDerWaalsContact C-N 3.3Å; D631-R633 PolarHBondContact O-N 2.93Å; R633-S636 PolarHBondContact O-N 2.66Å; R633-N637 WeakPolarHBondContact O-CB 3.46Å; R633-N637 PolarHBondContact O-N 3.28Å; R633-N637 PolarHBondContact O-OD1 2.85Å |
| 634 | G | 81 | Confident | 82.6 | Confident | 39 Ų | 39 | 95.1 Ų | 95.1 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -50.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A630 D631 S636 N637 E638 | A630-G634 PolarHBondContact O-N 3.16Å; D631-G634 PolarHBondContact O-N 2.88Å; D631-G634 VanDerWaalsContact O-N 3.17Å; G634-S636 VanDerWaalsContact C-N 3.33Å; G634-S636 PolarHBondContact O-N 2.88Å; G634-N637 PolarHBondContact O-N 3.44Å; G634-E638 WeakPolarHBondContact O-CB 3.49Å; G634-E638 PolarHBondContact O-N 3.01Å |
| 635 | L | 83.1 | Confident | 83 | Confident | 128 Ų | 128 | 90.5 Ų | 90.5 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 174.6 | -68.7 | 172.8 | 0 | 0 | 0 | 112.5 | D631 L639 | D631-L635 WeakPolarHBondContact O-CG 3.44Å; D631-L635 PolarHBondContact O-N 2.81Å; L635-L639 VanDerWaalsContact O-CB 3.23Å; L635-L639 WeakPolarHBondContact O-CB 3.19Å; L635-L639 PolarHBondContact O-N 3.3Å |
| 636 | S | 84.2 | Confident | 83.5 | Confident | 67 Ų | 67 | 91.9 Ų | 91.9 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 174.4 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | R632 R633 G634 V640 | R632-S636 VanDerWaalsContact O-CB 3.29Å; R632-S636 WeakPolarHBondContact O-CB 3.47Å; R632-S636 PolarHBondContact O-N 2.83Å; R633-S636 PolarHBondContact O-N 2.66Å; G634-S636 VanDerWaalsContact C-N 3.33Å; G634-S636 PolarHBondContact O-N 2.88Å; S636-V640 WeakPolarHBondContact O-CG2 3.43Å; S636-V640 PolarHBondContact O-N 3.02Å; S636-V640 VanDerWaalsContact O-N 3.1Å |
| 637 | N | 85.4 | Confident | 84.1 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.6 | -41.4 | 177.3 | -69.6 | -5.4 | 0 | 0 | 0 | 111.1 | R633 G634 V640 R641 | R633-N637 WeakPolarHBondContact O-CB 3.46Å; R633-N637 PolarHBondContact O-N 3.28Å; R633-N637 PolarHBondContact O-OD1 2.85Å; G634-N637 PolarHBondContact O-N 3.44Å; N637-V640 PolarHBondContact O-N 3.46Å; N637-R641 WeakPolarHBondContact O-CB 3.29Å; N637-R641 PolarHBondContact O-N 2.87Å |
| 638 | E | 86.3 | Confident | 84.8 | Confident | 83 Ų | 83 | 94.6 Ų | 94.6 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.9 | -36.2 | 177.5 | -172.2 | 62.6 | -172.3 | 0 | 0 | 111.7 | G634 V640 R641 L642 | G634-E638 WeakPolarHBondContact O-CB 3.49Å; G634-E638 PolarHBondContact O-N 3.01Å; E638-V640 VanDerWaalsContact C-N 3.34Å; E638-V640 PolarHBondContact O-N 3.48Å; E638-R641 VanDerWaalsContact CD-NE 3.27Å; E638-R641 WeakPolarHBondContact O-CB 2.9Å; E638-R641 PolarHBondContact O-N 2.87Å; E638-R641 IonicContact OE1-CZ 2.71Å; E638-R641 VanDerWaalsContact OE1-CZ 3.3Å; E638-R641 IonicContact OE1-NE 3.94Å; E638-R641 PolarHBondContact OE1-NE 3.41Å; E638-R641 IonicContact OE1-NH2 3.76Å; E638-R641 PolarHBondContact OE1-NH2 2.88Å; E638-R641 WeakPolarHBondContact OE2-CD 3.41Å; E638-R641 IonicContact OE2-CZ 3.05Å; E638-R641 IonicContact OE2-NE 2.67Å; E638-R641 PolarHBondContact OE2-NE 2.92Å; E638-L642 HydrophobicContact CG-CD1 4.4Å; E638-L642 WeakPolarHBondContact O-CB 2.92Å; E638-L642 WeakPolarHBondContact O-CG 3.26Å; E638-L642 PolarHBondContact O-N 3.24Å |
| 639 | L | 87.5 | Confident | 85.3 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 171.4 | -173.9 | 65.9 | 0 | 0 | 0 | 111.6 | L635 L642 H643 | L635-L639 VanDerWaalsContact O-CB 3.23Å; L635-L639 WeakPolarHBondContact O-CB 3.19Å; L635-L639 PolarHBondContact O-N 3.3Å; L639-L642 PolarHBondContact O-N 3.46Å; L639-H643 PolarHBondContact O-N 3.11Å; L639-H643 PolarHBondContact O-ND1 3.43Å |
| 640 | V | 88.3 | Confident | 86 | Confident | 97 Ų | 97 | 101.3 Ų | 101.3 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 173.1 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | S636 N637 E638 L642 H643 E644 | S636-V640 WeakPolarHBondContact O-CG2 3.43Å; S636-V640 PolarHBondContact O-N 3.02Å; S636-V640 VanDerWaalsContact O-N 3.1Å; N637-V640 PolarHBondContact O-N 3.46Å; E638-V640 VanDerWaalsContact C-N 3.34Å; E638-V640 PolarHBondContact O-N 3.48Å; V640-L642 VanDerWaalsContact C-N 3.31Å; V640-L642 PolarHBondContact O-N 3.06Å; V640-H643 PolarHBondContact O-N 2.97Å; V640-E644 WeakPolarHBondContact O-CB 3.4Å; V640-E644 PolarHBondContact O-N 3.24Å |
| 641 | R | 91.3 | Very high | 86.6 | Confident | 111 Ų | 111 | 102.5 Ų | 102.5 | 42% | 0.419 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 176 | -162.9 | -165.7 | 66.7 | 64 | 5.7 | 111.8 | N637 E638 E644 E645 | N637-R641 WeakPolarHBondContact O-CB 3.29Å; N637-R641 PolarHBondContact O-N 2.87Å; E638-R641 VanDerWaalsContact CD-NE 3.27Å; E638-R641 WeakPolarHBondContact O-CB 2.9Å; E638-R641 PolarHBondContact O-N 2.87Å; E638-R641 IonicContact OE1-CZ 2.71Å; E638-R641 VanDerWaalsContact OE1-CZ 3.3Å; E638-R641 IonicContact OE1-NE 3.94Å; E638-R641 PolarHBondContact OE1-NE 3.41Å; E638-R641 IonicContact OE1-NH2 3.76Å; E638-R641 PolarHBondContact OE1-NH2 2.88Å; E638-R641 WeakPolarHBondContact OE2-CD 3.41Å; E638-R641 IonicContact OE2-CZ 3.05Å; E638-R641 IonicContact OE2-NE 2.67Å; E638-R641 PolarHBondContact OE2-NE 2.92Å; R641-E644 PolarHBondContact O-N 3.19Å; R641-E645 IonicContact CZ-OE2 2.81Å; R641-E645 IonicContact NH1-OE2 2.75Å; R641-E645 PolarHBondContact NH1-OE2 3.49Å; R641-E645 IonicContact NH2-OE2 3.8Å; R641-E645 PolarHBondContact NH2-OE2 3.28Å; R641-E645 WeakPolarHBondContact O-CB 3.39Å; R641-E645 PolarHBondContact O-N 3.16Å |
| 642 | L | 91.7 | Very high | 87.2 | Confident | 72 Ų | 72 | 104 Ų | 104 | 38% | 0.377 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.5 | -33.9 | 176.4 | -71.6 | 168.1 | 0 | 0 | 0 | 112.9 | E638 L639 V640 I646 | E638-L642 HydrophobicContact CG-CD1 4.4Å; E638-L642 WeakPolarHBondContact O-CB 2.92Å; E638-L642 WeakPolarHBondContact O-CG 3.26Å; E638-L642 PolarHBondContact O-N 3.24Å; L639-L642 PolarHBondContact O-N 3.46Å; V640-L642 VanDerWaalsContact C-N 3.31Å; V640-L642 PolarHBondContact O-N 3.06Å; L642-I646 WeakPolarHBondContact O-CB 3.43Å; L642-I646 WeakPolarHBondContact O-CD1 3.27Å; L642-I646 WeakPolarHBondContact O-CG1 3.39Å; L642-I646 PolarHBondContact O-N 3Å |
| 643 | H | 88.7 | Confident | 87.6 | Confident | 123 Ų | 123 | 97.9 Ų | 97.9 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -38.9 | 172.9 | -81.3 | 74.2 | 0 | 0 | 0 | 112 | L639 V640 I646 A647 | L639-H643 PolarHBondContact O-N 3.11Å; L639-H643 PolarHBondContact O-ND1 3.43Å; V640-H643 PolarHBondContact O-N 2.97Å; H643-I646 PolarHBondContact O-N 2.85Å; H643-A647 WeakPolarHBondContact O-CB 3.34Å; H643-A647 PolarHBondContact O-N 3.03Å |
| 644 | E | 89.8 | Confident | 88.1 | Confident | 106 Ų | 106 | 92.6 Ų | 92.6 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 173.7 | -177.8 | 59.6 | -146.8 | 0 | 0 | 111.2 | V640 R641 I646 A647 Q648 | V640-E644 WeakPolarHBondContact O-CB 3.4Å; V640-E644 PolarHBondContact O-N 3.24Å; R641-E644 PolarHBondContact O-N 3.19Å; E644-I646 VanDerWaalsContact C-N 3.35Å; E644-I646 PolarHBondContact O-N 2.81Å; E644-A647 WeakPolarHBondContact O-CB 3.46Å; E644-A647 PolarHBondContact O-N 3.31Å; E644-A647 VanDerWaalsContact O-N 3.13Å; E644-Q648 WeakPolarHBondContact O-CG 3.4Å; E644-Q648 PolarHBondContact O-N 3.35Å; E644-Q648 PolarHBondContact OE1-NE2 3.46Å |
| 645 | E | 87.1 | Confident | 88.6 | Confident | 93 Ų | 93 | 94.6 Ų | 94.6 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 174.7 | -173.2 | 172.5 | -172.8 | 0 | 0 | 112.2 | R641 Q648 S649 | R641-E645 IonicContact CZ-OE2 2.81Å; R641-E645 IonicContact NH1-OE2 2.75Å; R641-E645 PolarHBondContact NH1-OE2 3.49Å; R641-E645 IonicContact NH2-OE2 3.8Å; R641-E645 PolarHBondContact NH2-OE2 3.28Å; R641-E645 WeakPolarHBondContact O-CB 3.39Å; R641-E645 PolarHBondContact O-N 3.16Å; E645-Q648 PolarHBondContact O-N 3.07Å; E645-S649 VanDerWaalsContact O-CB 3.28Å; E645-S649 WeakPolarHBondContact O-CB 3.32Å; E645-S649 PolarHBondContact O-N 3.37Å |
| 646 | I | 90.2 | Very high | 88.9 | Confident | 93 Ų | 93 | 92 Ų | 92 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -35.7 | 173 | -71.1 | 165 | 0 | 0 | 0 | 111.6 | L642 H643 E644 K650 | L642-I646 WeakPolarHBondContact O-CB 3.43Å; L642-I646 WeakPolarHBondContact O-CD1 3.27Å; L642-I646 WeakPolarHBondContact O-CG1 3.39Å; L642-I646 PolarHBondContact O-N 3Å; H643-I646 PolarHBondContact O-N 2.85Å; E644-I646 VanDerWaalsContact C-N 3.35Å; E644-I646 PolarHBondContact O-N 2.81Å; I646-K650 HydrophobicContact CG2-CD 4.39Å; I646-K650 WeakPolarHBondContact O-CB 3.13Å; I646-K650 WeakPolarHBondContact O-CG 3.47Å; I646-K650 PolarHBondContact O-N 3.18Å |
| 647 | A | 90.3 | Very high | 89.2 | Confident | 52 Ų | 52 | 94.7 Ų | 94.7 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H643 E644 K650 S651 | H643-A647 WeakPolarHBondContact O-CB 3.34Å; H643-A647 PolarHBondContact O-N 3.03Å; E644-A647 WeakPolarHBondContact O-CB 3.46Å; E644-A647 PolarHBondContact O-N 3.31Å; E644-A647 VanDerWaalsContact O-N 3.13Å; A647-K650 PolarHBondContact O-N 3.02Å; A647-S651 PolarHBondContact O-N 2.8Å |
| 648 | Q | 90.6 | Very high | 89.4 | Confident | 114 Ų | 114 | 94.5 Ų | 94.5 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.5 | -68.5 | 173 | 15.7 | 0 | 0 | 111.5 | E644 E645 K650 S651 Y652 | E644-Q648 WeakPolarHBondContact O-CG 3.4Å; E644-Q648 PolarHBondContact O-N 3.35Å; E644-Q648 PolarHBondContact OE1-NE2 3.46Å; E645-Q648 PolarHBondContact O-N 3.07Å; Q648-K650 VanDerWaalsContact C-N 3.33Å; Q648-K650 PolarHBondContact O-N 2.87Å; Q648-S651 WeakPolarHBondContact O-CB 3.42Å; Q648-S651 PolarHBondContact O-N 3.46Å; Q648-Y652 PolarHBondContact O-N 3.43Å |
| 649 | S | 87.8 | Confident | 89.7 | Confident | 77 Ų | 77 | 97 Ų | 97 | 54% | 0.538 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 173.7 | 175.4 | 0 | 0 | 0 | 0 | 112.4 | E645 Y652 A653 | E645-S649 VanDerWaalsContact O-CB 3.28Å; E645-S649 WeakPolarHBondContact O-CB 3.32Å; E645-S649 PolarHBondContact O-N 3.37Å; S649-Y652 PolarHBondContact O-N 3.49Å; S649-A653 PolarHBondContact O-N 3.39Å |
| 650 | K | 90.8 | Very high | 89.8 | Confident | 141 Ų | 141 | 97 Ų | 97 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.6 | -40.4 | 172.8 | -75.7 | 178.1 | 177.9 | -173 | 0 | 112.7 | I646 A647 Q648 Y652 A653 C654 | I646-K650 HydrophobicContact CG2-CD 4.39Å; I646-K650 WeakPolarHBondContact O-CB 3.13Å; I646-K650 WeakPolarHBondContact O-CG 3.47Å; I646-K650 PolarHBondContact O-N 3.18Å; A647-K650 PolarHBondContact O-N 3.02Å; Q648-K650 VanDerWaalsContact C-N 3.33Å; Q648-K650 PolarHBondContact O-N 2.87Å; K650-Y652 VanDerWaalsContact C-N 3.27Å; K650-Y652 PolarHBondContact O-N 2.85Å; K650-A653 PolarHBondContact O-N 3.14Å; K650-C654 PolarHBondContact O-N 2.79Å; K650-C654 PolarHBondContact O-SG 2.9Å; K650-C654 VanDerWaalsContact O-SG 3.36Å |
| 651 | S | 88.8 | Confident | 89.8 | Confident | 82 Ų | 82 | 96.3 Ų | 96.3 | 57% | 0.573 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -40 | 174.5 | -166.4 | 0 | 0 | 0 | 0 | 111.6 | A647 Q648 E655 | A647-S651 PolarHBondContact O-N 2.8Å; Q648-S651 WeakPolarHBondContact O-CB 3.42Å; Q648-S651 PolarHBondContact O-N 3.46Å; S651-E655 PolarHBondContact O-N 3.25Å |
| 652 | Y | 90.8 | Very high | 89.7 | Confident | 141 Ų | 141 | 95.8 Ų | 95.8 | 55% | 0.553 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.7 | -37.6 | 175.8 | -178.7 | -111.5 | 0 | 0 | 0 | 112.6 | Q648 S649 K650 E655 L656 | Q648-Y652 PolarHBondContact O-N 3.43Å; S649-Y652 PolarHBondContact O-N 3.49Å; K650-Y652 VanDerWaalsContact C-N 3.27Å; K650-Y652 PolarHBondContact O-N 2.85Å; Y652-E655 PolarHBondContact O-N 3Å; Y652-L656 HydrophobicContact CD1-CD1 4.07Å; Y652-L656 HydrophobicContact CE1-CD1 3.57Å; Y652-L656 HydrophobicContact CE1-CG 4.26Å; Y652-L656 HydrophobicContact CE2-CG 4.45Å; Y652-L656 WeakPolarHBondContact O-CG 3.4Å; Y652-L656 PolarHBondContact O-N 3.33Å |
| 653 | A | 88.5 | Confident | 89.7 | Confident | 41 Ų | 41 | 97.6 Ų | 97.6 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S649 K650 E655 L656 E657 | S649-A653 PolarHBondContact O-N 3.39Å; K650-A653 PolarHBondContact O-N 3.14Å; A653-E655 VanDerWaalsContact C-N 3.31Å; A653-E655 PolarHBondContact O-N 2.76Å; A653-L656 PolarHBondContact O-N 3.33Å; A653-L656 VanDerWaalsContact O-N 3.17Å; A653-E657 WeakPolarHBondContact O-CG 3.44Å; A653-E657 PolarHBondContact O-N 2.93Å |
| 654 | C | 88.9 | Confident | 89.7 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -32.5 | 175.2 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | K650 Q658 | K650-C654 PolarHBondContact O-N 2.79Å; K650-C654 PolarHBondContact O-SG 2.9Å; K650-C654 VanDerWaalsContact O-SG 3.36Å; C654-Q658 WeakPolarHBondContact O-CB 3.24Å; C654-Q658 PolarHBondContact O-N 2.89Å |
| 655 | E | 89.9 | Confident | 89.8 | Confident | 82 Ų | 82 | 94 Ų | 94 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 172.8 | -163.3 | -168.5 | 148.8 | 0 | 0 | 111.8 | S651 Y652 A653 R659 | S651-E655 PolarHBondContact O-N 3.25Å; Y652-E655 PolarHBondContact O-N 3Å; A653-E655 VanDerWaalsContact C-N 3.31Å; A653-E655 PolarHBondContact O-N 2.76Å; E655-R659 WeakPolarHBondContact O-CB 3.12Å; E655-R659 VanDerWaalsContact O-CG 3.27Å; E655-R659 WeakPolarHBondContact O-CG 3.35Å; E655-R659 PolarHBondContact O-N 2.99Å; E655-R659 IonicContact OE1-CZ 3.55Å; E655-R659 IonicContact OE1-NE 3.12Å; E655-R659 PolarHBondContact OE1-NE 2.79Å; E655-R659 IonicContact OE1-NH2 2.82Å; E655-R659 PolarHBondContact OE1-NH2 3.43Å |
| 656 | L | 90.4 | Very high | 89.9 | Confident | 73 Ų | 73 | 96.2 Ų | 96.2 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 173.9 | -72.2 | 174.7 | 0 | 0 | 0 | 112.4 | Y652 A653 R659 L660 | Y652-L656 HydrophobicContact CD1-CD1 4.07Å; Y652-L656 HydrophobicContact CE1-CD1 3.57Å; Y652-L656 HydrophobicContact CE1-CG 4.26Å; Y652-L656 HydrophobicContact CE2-CG 4.45Å; Y652-L656 WeakPolarHBondContact O-CG 3.4Å; Y652-L656 PolarHBondContact O-N 3.33Å; A653-L656 PolarHBondContact O-N 3.33Å; A653-L656 VanDerWaalsContact O-N 3.17Å; L656-R659 PolarHBondContact O-N 3.31Å; L656-L660 WeakPolarHBondContact O-CG 3.42Å; L656-L660 PolarHBondContact O-N 2.67Å |
| 657 | E | 90.1 | Very high | 89.8 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | 173.4 | -72.6 | 171.1 | 170.8 | 0 | 0 | 111.1 | A653 L660 T661 | A653-E657 WeakPolarHBondContact O-CG 3.44Å; A653-E657 PolarHBondContact O-N 2.93Å; E657-L660 PolarHBondContact O-N 3.23Å; E657-T661 PolarHBondContact O-N 2.97Å |
| 658 | Q | 90.6 | Very high | 89.7 | Confident | 110 Ų | 110 | 100.2 Ų | 100.2 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 174.5 | -176.7 | -179.8 | -27.4 | 0 | 0 | 111.2 | C654 L660 T661 E662 | C654-Q658 WeakPolarHBondContact O-CB 3.24Å; C654-Q658 PolarHBondContact O-N 2.89Å; Q658-L660 VanDerWaalsContact C-N 3.27Å; Q658-L660 PolarHBondContact O-N 2.82Å; Q658-T661 PolarHBondContact O-N 3.21Å; Q658-T661 VanDerWaalsContact O-N 3.09Å; Q658-T661 PolarHBondContact O-OG1 3.47Å; Q658-E662 HydrophobicContact CG-CG 4.43Å; Q658-E662 WeakPolarHBondContact CG-OE1 3.39Å; Q658-E662 PolarHBondContact NE2-OE1 3.31Å; Q658-E662 WeakPolarHBondContact O-CG 3.21Å; Q658-E662 PolarHBondContact O-N 2.99Å |
| 659 | R | 92.2 | Very high | 89.6 | Confident | 134 Ų | 134 | 97.4 Ų | 97.4 | 51% | 0.506 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -34.3 | 178 | -73.1 | 172.7 | -175.1 | -133.6 | 10.3 | 112.9 | E655 L656 E662 M663 | E655-R659 WeakPolarHBondContact O-CB 3.12Å; E655-R659 VanDerWaalsContact O-CG 3.27Å; E655-R659 WeakPolarHBondContact O-CG 3.35Å; E655-R659 PolarHBondContact O-N 2.99Å; E655-R659 IonicContact OE1-CZ 3.55Å; E655-R659 IonicContact OE1-NE 3.12Å; E655-R659 PolarHBondContact OE1-NE 2.79Å; E655-R659 IonicContact OE1-NH2 2.82Å; E655-R659 PolarHBondContact OE1-NH2 3.43Å; L656-R659 PolarHBondContact O-N 3.31Å; R659-E662 PolarHBondContact O-N 3.48Å; R659-M663 WeakPolarHBondContact O-CG 3.28Å; R659-M663 PolarHBondContact O-N 3.32Å |
| 660 | L | 88.4 | Confident | 89.7 | Confident | 99 Ų | 99 | 97.4 Ų | 97.4 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 172.6 | -77.5 | 164.4 | 0 | 0 | 0 | 110.8 | L656 E657 Q658 E662 M663 E664 | L656-L660 WeakPolarHBondContact O-CG 3.42Å; L656-L660 PolarHBondContact O-N 2.67Å; E657-L660 PolarHBondContact O-N 3.23Å; Q658-L660 VanDerWaalsContact C-N 3.27Å; Q658-L660 PolarHBondContact O-N 2.82Å; L660-E662 VanDerWaalsContact C-N 3.29Å; L660-E662 PolarHBondContact O-N 2.99Å; L660-M663 HydrophobicContact CD2-CE 3.91Å; L660-M663 HydrophobicContact CG-CE 4.45Å; L660-M663 PolarHBondContact O-N 3.48Å; L660-E664 WeakPolarHBondContact O-CG 3.49Å; L660-E664 PolarHBondContact O-N 3.38Å |
| 661 | T | 89.5 | Confident | 89.7 | Confident | 84 Ų | 84 | 96.5 Ų | 96.5 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -31.4 | 177 | 61 | 0 | 0 | 0 | 0 | 113.5 | E657 Q658 G665 | E657-T661 PolarHBondContact O-N 2.97Å; Q658-T661 PolarHBondContact O-N 3.21Å; Q658-T661 VanDerWaalsContact O-N 3.09Å; Q658-T661 PolarHBondContact O-OG1 3.47Å; T661-G665 PolarHBondContact O-N 3.01Å |
| 662 | E | 89.5 | Confident | 89.8 | Confident | 99 Ų | 99 | 97.2 Ų | 97.2 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -46.8 | 173.1 | -72.2 | 171.3 | 176.2 | 0 | 0 | 111 | Q658 R659 L660 G665 E666 | Q658-E662 HydrophobicContact CG-CG 4.43Å; Q658-E662 WeakPolarHBondContact CG-OE1 3.39Å; Q658-E662 PolarHBondContact NE2-OE1 3.31Å; Q658-E662 WeakPolarHBondContact O-CG 3.21Å; Q658-E662 PolarHBondContact O-N 2.99Å; R659-E662 PolarHBondContact O-N 3.48Å; L660-E662 VanDerWaalsContact C-N 3.29Å; L660-E662 PolarHBondContact O-N 2.99Å; E662-G665 PolarHBondContact O-N 2.76Å; E662-E666 PolarHBondContact O-N 3.19Å |
| 663 | M | 90.1 | Very high | 89.8 | Confident | 111 Ų | 111 | 96.3 Ų | 96.3 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 175.2 | -70.8 | -174.9 | -59 | 0 | 0 | 113 | R659 L660 G665 E666 L667 | R659-M663 WeakPolarHBondContact O-CG 3.28Å; R659-M663 PolarHBondContact O-N 3.32Å; L660-M663 HydrophobicContact CD2-CE 3.91Å; L660-M663 HydrophobicContact CG-CE 4.45Å; L660-M663 PolarHBondContact O-N 3.48Å; M663-G665 VanDerWaalsContact C-N 3.34Å; M663-E666 PolarHBondContact O-N 2.98Å; M663-L667 WeakPolarHBondContact O-CB 3.5Å; M663-L667 PolarHBondContact O-N 3.48Å |
| 664 | E | 89.4 | Confident | 89.9 | Confident | 114 Ų | 114 | 99.5 Ų | 99.5 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 173.3 | -74.3 | 178.7 | 158 | 0 | 0 | 111.7 | L660 L667 H668 | L660-E664 WeakPolarHBondContact O-CG 3.49Å; L660-E664 PolarHBondContact O-N 3.38Å; E664-L667 PolarHBondContact O-N 3.42Å; E664-H668 PolarHBondContact O-N 3.48Å; E664-H668 PolarHBondContact O-ND1 2.66Å |
| 665 | G | 91.5 | Very high | 89.9 | Confident | 40 Ų | 40 | 100.3 Ų | 100.3 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T661 E662 M663 H668 S669 | T661-G665 PolarHBondContact O-N 3.01Å; E662-G665 PolarHBondContact O-N 2.76Å; M663-G665 VanDerWaalsContact C-N 3.34Å; G665-H668 PolarHBondContact O-N 2.93Å; G665-S669 VanDerWaalsContact O-CB 3.32Å; G665-S669 WeakPolarHBondContact O-CB 3.38Å; G665-S669 PolarHBondContact O-N 2.9Å |
| 666 | E | 89.5 | Confident | 89.8 | Confident | 139 Ų | 139 | 103.8 Ų | 103.8 | 65% | 0.65 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -37.5 | 173 | -72 | -170.2 | 171.3 | 0 | 0 | 112.2 | E662 M663 S669 T670 | E662-E666 PolarHBondContact O-N 3.19Å; M663-E666 PolarHBondContact O-N 2.98Å; E666-S669 PolarHBondContact O-N 2.85Å; E666-T670 WeakPolarHBondContact O-CB 3.41Å; E666-T670 WeakPolarHBondContact O-CG2 3.42Å; E666-T670 PolarHBondContact O-N 3.26Å; E666-T670 PolarHBondContact O-OG1 3.1Å |
| 667 | L | 88 | Confident | 89.6 | Confident | 117 Ų | 117 | 105.5 Ų | 105.5 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -42 | 176.4 | -175.2 | 61.2 | 0 | 0 | 0 | 112.2 | M663 E664 T670 K671 | M663-L667 WeakPolarHBondContact O-CB 3.5Å; M663-L667 PolarHBondContact O-N 3.48Å; E664-L667 PolarHBondContact O-N 3.42Å; L667-T670 WeakPolarHBondContact CA-OG1 3.47Å; L667-T670 PolarHBondContact O-N 2.87Å; L667-T670 PolarHBondContact O-OG1 3.35Å; L667-T670 VanDerWaalsContact O-OG1 3.04Å; L667-K671 VanDerWaalsContact O-CB 3.31Å; L667-K671 WeakPolarHBondContact O-CB 3.42Å; L667-K671 PolarHBondContact O-N 3.02Å |
| 668 | H | 87.4 | Confident | 89.6 | Confident | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 171.8 | -75.6 | 83.1 | 0 | 0 | 0 | 111 | E664 G665 T670 K671 D672 | E664-H668 PolarHBondContact O-N 3.48Å; E664-H668 PolarHBondContact O-ND1 2.66Å; G665-H668 PolarHBondContact O-N 2.93Å; H668-T670 PolarHBondContact O-N 2.7Å; H668-K671 WeakPolarHBondContact O-CB 3.24Å; H668-K671 PolarHBondContact O-N 2.67Å; H668-K671 VanDerWaalsContact O-N 3.16Å; H668-D672 VanDerWaalsContact O-CG 3.27Å; H668-D672 PolarHBondContact O-N 2.79Å |
| 669 | S | 89 | Confident | 89.5 | Confident | 55 Ų | 55 | 102 Ų | 102 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -23.3 | 179.2 | -164.5 | 0 | 0 | 0 | 0 | 113.9 | G665 E666 K673 | G665-S669 VanDerWaalsContact O-CB 3.32Å; G665-S669 WeakPolarHBondContact O-CB 3.38Å; G665-S669 PolarHBondContact O-N 2.9Å; E666-S669 PolarHBondContact O-N 2.85Å; S669-K673 VanDerWaalsContact O-CD 3.29Å; S669-K673 WeakPolarHBondContact O-CD 3.39Å; S669-K673 WeakPolarHBondContact O-CE 3.41Å; S669-K673 WeakPolarHBondContact O-CG 3.34Å; S669-K673 PolarHBondContact O-NZ 3.33Å; S669-K673 PolarHBondContact OG-NZ 3.44Å |
| 670 | T | 90.3 | Very high | 89.4 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -86.2 | -37.1 | 173.2 | 45.8 | 0 | 0 | 0 | 0 | 111.9 | E666 L667 H668 K673 L674 | E666-T670 WeakPolarHBondContact O-CB 3.41Å; E666-T670 WeakPolarHBondContact O-CG2 3.42Å; E666-T670 PolarHBondContact O-N 3.26Å; E666-T670 PolarHBondContact O-OG1 3.1Å; L667-T670 WeakPolarHBondContact CA-OG1 3.47Å; L667-T670 PolarHBondContact O-N 2.87Å; L667-T670 PolarHBondContact O-OG1 3.35Å; L667-T670 VanDerWaalsContact O-OG1 3.04Å; H668-T670 PolarHBondContact O-N 2.7Å; T670-K673 PolarHBondContact O-N 3.14Å; T670-L674 WeakPolarHBondContact O-CB 3.41Å; T670-L674 PolarHBondContact O-N 3.18Å |
| 671 | K | 90.7 | Very high | 89.3 | Confident | 122 Ų | 122 | 97.8 Ų | 97.8 | 53% | 0.53 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 169.5 | -177.8 | -176.6 | 176.4 | -174.2 | 0 | 111.9 | L667 H668 K673 L674 I675 | L667-K671 VanDerWaalsContact O-CB 3.31Å; L667-K671 WeakPolarHBondContact O-CB 3.42Å; L667-K671 PolarHBondContact O-N 3.02Å; H668-K671 WeakPolarHBondContact O-CB 3.24Å; H668-K671 PolarHBondContact O-N 2.67Å; H668-K671 VanDerWaalsContact O-N 3.16Å; K671-K673 PolarHBondContact O-N 2.96Å; K671-L674 WeakPolarHBondContact O-CB 3.5Å; K671-L674 PolarHBondContact O-N 3.22Å; K671-I675 HydrophobicContact CG-CD1 3.99Å; K671-I675 WeakPolarHBondContact O-CG1 3.32Å; K671-I675 PolarHBondContact O-N 2.93Å |
| 672 | D | 91.4 | Very high | 89.4 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | -179.6 | -63.7 | -20.2 | 0 | 0 | 0 | 112.1 | H668 L674 I675 Y676 | H668-D672 VanDerWaalsContact O-CG 3.27Å; H668-D672 PolarHBondContact O-N 2.79Å; D672-L674 VanDerWaalsContact C-N 3.34Å; D672-I675 PolarHBondContact O-N 2.6Å; D672-Y676 WeakPolarHBondContact O-CB 3.43Å; D672-Y676 PolarHBondContact O-N 3.2Å |
| 673 | K | 91 | Very high | 89.4 | Confident | 121 Ų | 121 | 97.9 Ų | 97.9 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 172.6 | -72.7 | 172 | -166.7 | 105.9 | 0 | 111.7 | S669 T670 K671 Q677 | S669-K673 VanDerWaalsContact O-CD 3.29Å; S669-K673 WeakPolarHBondContact O-CD 3.39Å; S669-K673 WeakPolarHBondContact O-CE 3.41Å; S669-K673 WeakPolarHBondContact O-CG 3.34Å; S669-K673 PolarHBondContact O-NZ 3.33Å; S669-K673 PolarHBondContact OG-NZ 3.44Å; T670-K673 PolarHBondContact O-N 3.14Å; K671-K673 PolarHBondContact O-N 2.96Å; K673-Q677 VanDerWaalsContact O-CB 3.31Å; K673-Q677 WeakPolarHBondContact O-CB 3.5Å; K673-Q677 PolarHBondContact O-N 3.1Å |
| 674 | L | 89.9 | Confident | 89.3 | Confident | 108 Ų | 108 | 97.1 Ų | 97.1 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.6 | -42.7 | 177.1 | -177.8 | 62.3 | 0 | 0 | 0 | 111.6 | T670 K671 D672 Q677 T678 | T670-L674 WeakPolarHBondContact O-CB 3.41Å; T670-L674 PolarHBondContact O-N 3.18Å; K671-L674 WeakPolarHBondContact O-CB 3.5Å; K671-L674 PolarHBondContact O-N 3.22Å; D672-L674 VanDerWaalsContact C-N 3.34Å; L674-Q677 PolarHBondContact O-N 3.2Å; L674-T678 WeakPolarHBondContact O-CB 3.5Å; L674-T678 PolarHBondContact O-N 3.08Å; L674-T678 PolarHBondContact O-OG1 3.5Å; L674-T678 VanDerWaalsContact O-OG1 3.06Å |
| 675 | I | 88.2 | Confident | 89.3 | Confident | 89 Ų | 89 | 97.3 Ų | 97.3 | 46% | 0.456 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -51.2 | 174.2 | -69.2 | 165.8 | 0 | 0 | 0 | 109.9 | K671 D672 Q677 T678 T679 | K671-I675 HydrophobicContact CG-CD1 3.99Å; K671-I675 WeakPolarHBondContact O-CG1 3.32Å; K671-I675 PolarHBondContact O-N 2.93Å; D672-I675 PolarHBondContact O-N 2.6Å; I675-Q677 VanDerWaalsContact C-N 3.33Å; I675-Q677 PolarHBondContact O-N 3.18Å; I675-T678 PolarHBondContact O-N 3.46Å; I675-T678 VanDerWaalsContact O-N 3.17Å; I675-T679 PolarHBondContact O-N 3.36Å; I675-T679 PolarHBondContact O-OG1 2.65Å; I675-T679 VanDerWaalsContact O-OG1 3.09Å |
| 676 | Y | 88.5 | Confident | 89.3 | Confident | 155 Ų | 155 | 100.7 Ų | 100.7 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58 | -42.3 | 176.8 | 177.2 | -95.7 | 0 | 0 | 0 | 112.7 | D672 T679 L680 | D672-Y676 WeakPolarHBondContact O-CB 3.43Å; D672-Y676 PolarHBondContact O-N 3.2Å; Y676-T679 PolarHBondContact O-N 3.37Å; Y676-L680 HydrophobicContact CE1-CD2 4.32Å; Y676-L680 VanDerWaalsContact O-CB 3.32Å; Y676-L680 WeakPolarHBondContact O-CB 3.47Å; Y676-L680 PolarHBondContact O-N 3.28Å |
| 677 | Q | 87.4 | Confident | 89.3 | Confident | 110 Ų | 110 | 96.9 Ų | 96.9 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.8 | -176.5 | 173.6 | -10.8 | 0 | 0 | 112.1 | K673 L674 I675 S681 | K673-Q677 VanDerWaalsContact O-CB 3.31Å; K673-Q677 WeakPolarHBondContact O-CB 3.5Å; K673-Q677 PolarHBondContact O-N 3.1Å; L674-Q677 PolarHBondContact O-N 3.2Å; I675-Q677 VanDerWaalsContact C-N 3.33Å; I675-Q677 PolarHBondContact O-N 3.18Å; Q677-S681 WeakPolarHBondContact O-CB 3.46Å; Q677-S681 PolarHBondContact O-N 3.48Å |
| 678 | T | 89.5 | Confident | 89.4 | Confident | 70 Ų | 70 | 98.7 Ų | 98.7 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | L674 I675 L680 S681 N682 | L674-T678 WeakPolarHBondContact O-CB 3.5Å; L674-T678 PolarHBondContact O-N 3.08Å; L674-T678 PolarHBondContact O-OG1 3.5Å; L674-T678 VanDerWaalsContact O-OG1 3.06Å; I675-T678 PolarHBondContact O-N 3.46Å; I675-T678 VanDerWaalsContact O-N 3.17Å; T678-L680 VanDerWaalsContact C-N 3.3Å; T678-L680 PolarHBondContact O-N 2.93Å; T678-S681 WeakPolarHBondContact O-CA 3.37Å; T678-S681 WeakPolarHBondContact O-CB 3.23Å; T678-S681 PolarHBondContact O-N 3.39Å; T678-N682 PolarHBondContact O-N 3.1Å; T678-N682 PolarHBondContact O-OD1 3.08Å |
| 679 | T | 89.1 | Confident | 89.5 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 175.5 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | I675 Y676 N682 R683 | I675-T679 PolarHBondContact O-N 3.36Å; I675-T679 PolarHBondContact O-OG1 2.65Å; I675-T679 VanDerWaalsContact O-OG1 3.09Å; Y676-T679 PolarHBondContact O-N 3.37Å; T679-N682 PolarHBondContact O-N 3.29Å; T679-R683 PolarHBondContact O-N 3.49Å |
| 680 | L | 88.7 | Confident | 89.5 | Confident | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.414 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 175 | -175.8 | 60.7 | 0 | 0 | 0 | 112.5 | Y676 T678 N684 | Y676-L680 HydrophobicContact CE1-CD2 4.32Å; Y676-L680 VanDerWaalsContact O-CB 3.32Å; Y676-L680 WeakPolarHBondContact O-CB 3.47Å; Y676-L680 PolarHBondContact O-N 3.28Å; T678-L680 VanDerWaalsContact C-N 3.3Å; T678-L680 PolarHBondContact O-N 2.93Å; L680-N684 WeakPolarHBondContact O-CB 3.41Å; L680-N684 VanDerWaalsContact O-CG 3.28Å; L680-N684 PolarHBondContact O-N 3Å; L680-N684 VanDerWaalsContact O-N 3.14Å; L680-N684 PolarHBondContact O-ND2 3.48Å |
| 681 | S | 87.6 | Confident | 89.5 | Confident | 66 Ų | 66 | 100.5 Ų | 100.5 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 173.3 | -168 | 0 | 0 | 0 | 0 | 111.1 | Q677 T678 N684 Q685 | Q677-S681 WeakPolarHBondContact O-CB 3.46Å; Q677-S681 PolarHBondContact O-N 3.48Å; T678-S681 WeakPolarHBondContact O-CA 3.37Å; T678-S681 WeakPolarHBondContact O-CB 3.23Å; T678-S681 PolarHBondContact O-N 3.39Å; S681-N684 WeakPolarHBondContact O-CB 3.3Å; S681-N684 PolarHBondContact O-N 3.42Å; S681-Q685 PolarHBondContact O-N 3.47Å |
| 682 | N | 90.3 | Very high | 89.4 | Confident | 80 Ų | 80 | 97.5 Ų | 97.5 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 179.9 | -65.7 | 7.8 | 0 | 0 | 0 | 111.5 | T678 T679 N684 Q685 E686 | T678-N682 PolarHBondContact O-N 3.1Å; T678-N682 PolarHBondContact O-OD1 3.08Å; T679-N682 PolarHBondContact O-N 3.29Å; N682-N684 PolarHBondContact O-N 3.08Å; N682-Q685 WeakPolarHBondContact O-CA 3.4Å; N682-Q685 WeakPolarHBondContact O-CB 3.29Å; N682-Q685 PolarHBondContact O-N 3.02Å; N682-E686 WeakPolarHBondContact O-CG 3.38Å; N682-E686 PolarHBondContact O-N 2.9Å |
| 683 | R | 89.3 | Confident | 89.4 | Confident | 106 Ų | 106 | 98.4 Ų | 98.4 | 40% | 0.4 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 175.8 | -167.4 | 178.7 | -178.6 | 92.3 | -14.4 | 112.7 | D154 T679 N687 | D154-R683 PolarHBondContact O-NH2 2.92Å; T679-R683 PolarHBondContact O-N 3.49Å; R683-N687 WeakPolarHBondContact O-CB 3.24Å; R683-N687 PolarHBondContact O-N 3.06Å; R683-N687 PolarHBondContact O-ND2 2.72Å; R683-N687 VanDerWaalsContact O-ND2 3.12Å |
| 684 | N | 88.3 | Confident | 89.3 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72 | -34.3 | 173.3 | -77.2 | -46.4 | 0 | 0 | 0 | 112.7 | L680 S681 N682 W688 | L680-N684 WeakPolarHBondContact O-CB 3.41Å; L680-N684 VanDerWaalsContact O-CG 3.28Å; L680-N684 PolarHBondContact O-N 3Å; L680-N684 VanDerWaalsContact O-N 3.14Å; L680-N684 PolarHBondContact O-ND2 3.48Å; S681-N684 WeakPolarHBondContact O-CB 3.3Å; S681-N684 PolarHBondContact O-N 3.42Å; N682-N684 PolarHBondContact O-N 3.08Å; N684-W688 WeakPolarHBondContact O-CB 3.44Å; N684-W688 PolarHBondContact O-N 3.44Å |
| 685 | Q | 90.3 | Very high | 89.4 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.5 | -43.2 | 174.1 | -178.3 | 173.8 | -13.7 | 0 | 0 | 111.6 | S681 N682 W688 I689 | S681-Q685 PolarHBondContact O-N 3.47Å; N682-Q685 WeakPolarHBondContact O-CA 3.4Å; N682-Q685 WeakPolarHBondContact O-CB 3.29Å; N682-Q685 PolarHBondContact O-N 3.02Å; Q685-W688 PolarHBondContact O-N 2.96Å; Q685-I689 HydrophobicContact CG-CD1 4.18Å; Q685-I689 WeakPolarHBondContact O-CG1 3.37Å; Q685-I689 PolarHBondContact O-N 2.88Å |
| 686 | E | 90.6 | Very high | 89.5 | Confident | 112 Ų | 112 | 101.3 Ų | 101.3 | 52% | 0.523 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.8 | -50.3 | 171.8 | -70 | 161.9 | -172.2 | 0 | 0 | 111.4 | N682 W688 I689 M690 | N682-E686 WeakPolarHBondContact O-CG 3.38Å; N682-E686 PolarHBondContact O-N 2.9Å; E686-W688 VanDerWaalsContact C-N 3.29Å; E686-W688 PolarHBondContact O-N 3.28Å; E686-I689 PolarHBondContact O-N 3.45Å; E686-M690 WeakPolarHBondContact O-CG 3.38Å; E686-M690 PolarHBondContact O-N 3.36Å |
| 687 | N | 90.8 | Very high | 89.6 | Confident | 59 Ų | 59 | 97 Ų | 97 | 32% | 0.316 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | 175.4 | -78.7 | -30.6 | 0 | 0 | 0 | 112.4 | R683 M690 I691 | R683-N687 WeakPolarHBondContact O-CB 3.24Å; R683-N687 PolarHBondContact O-N 3.06Å; R683-N687 PolarHBondContact O-ND2 2.72Å; R683-N687 VanDerWaalsContact O-ND2 3.12Å; N687-M690 PolarHBondContact O-N 3.49Å; N687-I691 WeakPolarHBondContact O-CB 3.49Å; N687-I691 WeakPolarHBondContact O-CD1 3.44Å; N687-I691 VanDerWaalsContact O-CG1 3.26Å; N687-I691 WeakPolarHBondContact O-CG1 3.48Å; N687-I691 PolarHBondContact O-N 3.08Å |
| 688 | W | 88.4 | Confident | 89.7 | Confident | 154 Ų | 154 | 97.2 Ų | 97.2 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.1 | -43.6 | 177.2 | -174.9 | 84.1 | 0 | 0 | 0 | 112 | N684 Q685 E686 M690 I691 E692 | N684-W688 WeakPolarHBondContact O-CB 3.44Å; N684-W688 PolarHBondContact O-N 3.44Å; Q685-W688 PolarHBondContact O-N 2.96Å; E686-W688 VanDerWaalsContact C-N 3.29Å; E686-W688 PolarHBondContact O-N 3.28Å; W688-M690 PolarHBondContact O-N 2.97Å; W688-I691 PolarHBondContact O-N 3.25Å; W688-E692 WeakPolarHBondContact CH2-OE2 3.17Å; W688-E692 PolarHBondContact O-N 2.87Å |
| 689 | I | 90.1 | Very high | 89.8 | Confident | 69 Ų | 69 | 96.9 Ų | 96.9 | 35% | 0.354 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 175.1 | -68 | 165.3 | 0 | 0 | 0 | 110.6 | Q685 E686 E692 Q693 | Q685-I689 HydrophobicContact CG-CD1 4.18Å; Q685-I689 WeakPolarHBondContact O-CG1 3.37Å; Q685-I689 PolarHBondContact O-N 2.88Å; E686-I689 PolarHBondContact O-N 3.45Å; I689-E692 PolarHBondContact O-N 3.27Å; I689-Q693 WeakPolarHBondContact O-CG 3.32Å; I689-Q693 PolarHBondContact O-N 2.85Å |
| 690 | M | 89.1 | Confident | 89.9 | Confident | 103 Ų | 103 | 99 Ų | 99 | 51% | 0.507 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 175.6 | -77.6 | -64.2 | -63.8 | 0 | 0 | 112.1 | E686 N687 W688 E692 Q693 E694 | E686-M690 WeakPolarHBondContact O-CG 3.38Å; E686-M690 PolarHBondContact O-N 3.36Å; N687-M690 PolarHBondContact O-N 3.49Å; W688-M690 PolarHBondContact O-N 2.97Å; M690-E692 VanDerWaalsContact C-N 3.28Å; M690-E692 PolarHBondContact O-N 3.39Å; M690-Q693 PolarHBondContact O-N 3.4Å; M690-E694 PolarHBondContact O-N 3.47Å |
| 691 | I | 90.2 | Very high | 89.9 | Confident | 110 Ų | 110 | 99.9 Ų | 99.9 | 56% | 0.564 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.8 | -35.6 | 177.6 | -69.4 | 165.4 | 0 | 0 | 0 | 111.3 | N687 W688 Y695 | N687-I691 WeakPolarHBondContact O-CB 3.49Å; N687-I691 WeakPolarHBondContact O-CD1 3.44Å; N687-I691 VanDerWaalsContact O-CG1 3.26Å; N687-I691 WeakPolarHBondContact O-CG1 3.48Å; N687-I691 PolarHBondContact O-N 3.08Å; W688-I691 PolarHBondContact O-N 3.25Å; I691-Y695 WeakPolarHBondContact O-CB 3.43Å; I691-Y695 PolarHBondContact O-N 2.89Å |
| 692 | E | 89.5 | Confident | 90 | Very high | 58 Ų | 58 | 102.9 Ų | 102.9 | 27% | 0.271 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 175.8 | -150.6 | -159.3 | 159.6 | 0 | 0 | 112.2 | W688 I689 M690 Y695 R696 | W688-E692 WeakPolarHBondContact CH2-OE2 3.17Å; W688-E692 PolarHBondContact O-N 2.87Å; I689-E692 PolarHBondContact O-N 3.27Å; M690-E692 VanDerWaalsContact C-N 3.28Å; M690-E692 PolarHBondContact O-N 3.39Å; E692-Y695 PolarHBondContact O-N 3.3Å; E692-R696 WeakPolarHBondContact O-CB 3.43Å; E692-R696 WeakPolarHBondContact O-CD 3.4Å; E692-R696 WeakPolarHBondContact O-CG 3.5Å; E692-R696 PolarHBondContact O-N 3.49Å; E692-R696 IonicContact OE1-CZ 3.37Å; E692-R696 IonicContact OE1-NE 3.97Å; E692-R696 PolarHBondContact OE1-NE 3.18Å; E692-R696 IonicContact OE1-NH2 2.91Å; E692-R696 PolarHBondContact OE1-NH2 3.01Å |
| 693 | Q | 90.4 | Very high | 90 | Very high | 117 Ų | 117 | 103.5 Ų | 103.5 | 55% | 0.547 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 173.3 | -70.9 | -177.8 | 29 | 0 | 0 | 111.7 | I689 M690 Y695 R696 E697 | I689-Q693 WeakPolarHBondContact O-CG 3.32Å; I689-Q693 PolarHBondContact O-N 2.85Å; M690-Q693 PolarHBondContact O-N 3.4Å; Q693-Y695 VanDerWaalsContact C-N 3.35Å; Q693-Y695 PolarHBondContact O-N 2.99Å; Q693-R696 PolarHBondContact O-N 3.22Å; Q693-E697 WeakPolarHBondContact O-CB 3.32Å; Q693-E697 PolarHBondContact O-N 2.66Å |
| 694 | E | 90.1 | Very high | 89.9 | Confident | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.4 | -43.2 | 173.5 | -73.5 | -170.2 | 164.8 | 0 | 0 | 111.8 | M690 R696 E697 L698 | M690-E694 PolarHBondContact O-N 3.47Å; E694-R696 VanDerWaalsContact C-N 3.35Å; E694-R696 PolarHBondContact O-N 2.98Å; E694-E697 PolarHBondContact O-N 3.23Å; E694-L698 WeakPolarHBondContact O-CD1 3.5Å; E694-L698 PolarHBondContact O-N 3.37Å |
| 695 | Y | 90.6 | Very high | 90 | Very high | 134 Ų | 134 | 103.9 Ų | 103.9 | 53% | 0.525 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 175.9 | -177.8 | -102.7 | 0 | 0 | 0 | 112.1 | I691 E692 Q693 L698 Q699 | I691-Y695 WeakPolarHBondContact O-CB 3.43Å; I691-Y695 PolarHBondContact O-N 2.89Å; E692-Y695 PolarHBondContact O-N 3.3Å; Q693-Y695 VanDerWaalsContact C-N 3.35Å; Q693-Y695 PolarHBondContact O-N 2.99Å; Y695-L698 PolarHBondContact O-N 2.92Å; Y695-Q699 WeakPolarHBondContact O-CB 3.46Å; Y695-Q699 PolarHBondContact O-N 3.2Å |
| 696 | R | 91 | Very high | 89.8 | Confident | 124 Ų | 124 | 103.3 Ų | 103.3 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.7 | -31.6 | 177.3 | -71.3 | 164.3 | 176.3 | -102.1 | 3.3 | 112.5 | E692 Q693 E694 R700 | E692-R696 WeakPolarHBondContact O-CB 3.43Å; E692-R696 WeakPolarHBondContact O-CD 3.4Å; E692-R696 WeakPolarHBondContact O-CG 3.5Å; E692-R696 PolarHBondContact O-N 3.49Å; E692-R696 IonicContact OE1-CZ 3.37Å; E692-R696 IonicContact OE1-NE 3.97Å; E692-R696 PolarHBondContact OE1-NE 3.18Å; E692-R696 IonicContact OE1-NH2 2.91Å; E692-R696 PolarHBondContact OE1-NH2 3.01Å; Q693-R696 PolarHBondContact O-N 3.22Å; E694-R696 VanDerWaalsContact C-N 3.35Å; E694-R696 PolarHBondContact O-N 2.98Å; R696-R700 PolarHBondContact O-N 3.42Å; R696-R700 VanDerWaalsContact O-N 3.14Å |
| 697 | E | 90.4 | Very high | 89.6 | Confident | 65 Ų | 65 | 102.5 Ų | 102.5 | 30% | 0.304 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.4 | -51.1 | 170 | -178.5 | 60 | -123.5 | 0 | 0 | 111.1 | Q693 E694 Q699 R700 Q701 | Q693-E697 WeakPolarHBondContact O-CB 3.32Å; Q693-E697 PolarHBondContact O-N 2.66Å; E694-E697 PolarHBondContact O-N 3.23Å; E697-Q699 VanDerWaalsContact C-N 3.27Å; E697-Q699 PolarHBondContact O-N 2.93Å; E697-R700 WeakPolarHBondContact O-CA 3.48Å; E697-R700 WeakPolarHBondContact O-CB 3.32Å; E697-R700 PolarHBondContact O-N 3.38Å; E697-R700 IonicContact OE1-CZ 2.96Å; E697-R700 IonicContact OE1-NH1 3.61Å; E697-R700 PolarHBondContact OE1-NH1 2.99Å; E697-R700 VanDerWaalsContact OE1-NH1 3.08Å; E697-R700 IonicContact OE2-CZ 3.94Å; E697-R700 IonicContact OE2-NH1 3.94Å; E697-R700 PolarHBondContact OE2-NH1 3.48Å; E697-R700 IonicContact OE2-NH2 3.42Å; E697-R700 PolarHBondContact OE2-NH2 2.94Å; E697-Q701 WeakPolarHBondContact O-CG 3.44Å; E697-Q701 PolarHBondContact O-N 2.86Å; E697-Q701 WeakPolarHBondContact OE1-CG 3.44Å; E697-Q701 PolarHBondContact OE1-NE2 3.13Å |
| 698 | L | 90.1 | Very high | 89.4 | Confident | 113 Ų | 113 | 103.9 Ų | 103.9 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.5 | -40.4 | 174.8 | -99 | 68.4 | 0 | 0 | 0 | 111.9 | E694 Y695 Q701 H702 | E694-L698 WeakPolarHBondContact O-CD1 3.5Å; E694-L698 PolarHBondContact O-N 3.37Å; Y695-L698 PolarHBondContact O-N 2.92Å; L698-Q701 PolarHBondContact O-N 3.1Å; L698-H702 VanDerWaalsContact O-CB 3.31Å; L698-H702 WeakPolarHBondContact O-CB 3.46Å; L698-H702 PolarHBondContact O-N 3.31Å |
| 699 | Q | 90.6 | Very high | 89 | Confident | 63 Ų | 63 | 102 Ų | 102 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.8 | -163.4 | -174.4 | 82.7 | 0 | 0 | 111.8 | E396 Y695 E697 R703 | E396-Q699 PolarHBondContact OE1-NE2 3.16Å; Y695-Q699 WeakPolarHBondContact O-CB 3.46Å; Y695-Q699 PolarHBondContact O-N 3.2Å; E697-Q699 VanDerWaalsContact C-N 3.27Å; E697-Q699 PolarHBondContact O-N 2.93Å; Q699-R703 PolarHBondContact O-N 3.24Å |
| 700 | R | 91 | Very high | 88.5 | Confident | 133 Ų | 133 | 103.5 Ų | 103.5 | 50% | 0.502 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 170.9 | -87.8 | -169.5 | -75.8 | 97.3 | 0.8 | 111.9 | R696 E697 H702 R703 I704 | R696-R700 PolarHBondContact O-N 3.42Å; R696-R700 VanDerWaalsContact O-N 3.14Å; E697-R700 WeakPolarHBondContact O-CA 3.48Å; E697-R700 WeakPolarHBondContact O-CB 3.32Å; E697-R700 PolarHBondContact O-N 3.38Å; E697-R700 IonicContact OE1-CZ 2.96Å; E697-R700 IonicContact OE1-NH1 3.61Å; E697-R700 PolarHBondContact OE1-NH1 2.99Å; E697-R700 VanDerWaalsContact OE1-NH1 3.08Å; E697-R700 IonicContact OE2-CZ 3.94Å; E697-R700 IonicContact OE2-NH1 3.94Å; E697-R700 PolarHBondContact OE2-NH1 3.48Å; E697-R700 IonicContact OE2-NH2 3.42Å; E697-R700 PolarHBondContact OE2-NH2 2.94Å; R700-H702 VanDerWaalsContact C-N 3.34Å; R700-H702 PolarHBondContact O-N 2.82Å; R700-R703 PolarHBondContact O-N 3.01Å; R700-I704 WeakPolarHBondContact O-CG1 3.27Å; R700-I704 PolarHBondContact O-N 2.89Å |
| 701 | Q | 90 | Very high | 87.8 | Confident | 97 Ų | 97 | 100.9 Ų | 100.9 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 179.9 | -67.3 | -175.2 | 20.3 | 0 | 0 | 112.1 | E697 L698 R703 I704 L705 | E697-Q701 WeakPolarHBondContact O-CG 3.44Å; E697-Q701 PolarHBondContact O-N 2.86Å; E697-Q701 WeakPolarHBondContact OE1-CG 3.44Å; E697-Q701 PolarHBondContact OE1-NE2 3.13Å; L698-Q701 PolarHBondContact O-N 3.1Å; Q701-R703 PolarHBondContact O-N 3.3Å; Q701-I704 PolarHBondContact O-N 3.35Å; Q701-L705 WeakPolarHBondContact O-CB 3.42Å; Q701-L705 WeakPolarHBondContact O-CG 3.4Å; Q701-L705 PolarHBondContact O-N 2.97Å |
| 702 | H | 89.4 | Confident | 87 | Confident | 130 Ų | 130 | 100.3 Ų | 100.3 | 60% | 0.602 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 173.7 | -172.3 | 72.5 | 0 | 0 | 0 | 111.9 | L698 R700 L705 Q706 | L698-H702 VanDerWaalsContact O-CB 3.31Å; L698-H702 WeakPolarHBondContact O-CB 3.46Å; L698-H702 PolarHBondContact O-N 3.31Å; R700-H702 VanDerWaalsContact C-N 3.34Å; R700-H702 PolarHBondContact O-N 2.82Å; H702-L705 PolarHBondContact O-N 3.41Å; H702-Q706 WeakPolarHBondContact O-CB 3.49Å; H702-Q706 PolarHBondContact O-N 3.49Å |
| 703 | R | 89.6 | Confident | 86.1 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 35% | 0.347 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 176.6 | -162.8 | -174.8 | -66 | -161.9 | 1 | 112.3 | Q699 R700 Q701 Q706 N707 | Q699-R703 PolarHBondContact O-N 3.24Å; R700-R703 PolarHBondContact O-N 3.01Å; Q701-R703 PolarHBondContact O-N 3.3Å; R703-Q706 PolarHBondContact O-N 3.3Å; R703-N707 PolarHBondContact O-N 3.42Å |
| 704 | I | 88.5 | Confident | 85 | Confident | 93 Ų | 93 | 105.2 Ų | 105.2 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 173.9 | -68.6 | 164.1 | 0 | 0 | 0 | 110.7 | R700 Q701 Q706 N707 N708 | R700-I704 WeakPolarHBondContact O-CG1 3.27Å; R700-I704 PolarHBondContact O-N 2.89Å; Q701-I704 PolarHBondContact O-N 3.35Å; I704-Q706 VanDerWaalsContact C-N 3.34Å; I704-Q706 PolarHBondContact O-N 3.31Å; I704-N707 PolarHBondContact O-N 3.19Å; I704-N708 WeakPolarHBondContact O-CB 3.31Å; I704-N708 PolarHBondContact O-N 2.97Å; I704-N708 PolarHBondContact O-ND2 3.15Å |
| 705 | L | 89.3 | Confident | 83.7 | Confident | 116 Ų | 116 | 105 Ų | 105 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -38.9 | 176.5 | -72.8 | 168.4 | 0 | 0 | 0 | 112.3 | Q701 H702 N708 L709 | Q701-L705 WeakPolarHBondContact O-CB 3.42Å; Q701-L705 WeakPolarHBondContact O-CG 3.4Å; Q701-L705 PolarHBondContact O-N 2.97Å; H702-L705 PolarHBondContact O-N 3.41Å; L705-N708 PolarHBondContact O-N 3.45Å; L705-L709 WeakPolarHBondContact O-CB 3.36Å; L705-L709 PolarHBondContact O-N 3.07Å |
| 706 | Q | 86.4 | Confident | 82.2 | Confident | 106 Ų | 106 | 107.7 Ų | 107.7 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175.3 | -172.5 | 178.2 | 9.4 | 0 | 0 | 111.8 | H702 R703 I704 L709 L710 | H702-Q706 WeakPolarHBondContact O-CB 3.49Å; H702-Q706 PolarHBondContact O-N 3.49Å; R703-Q706 PolarHBondContact O-N 3.3Å; I704-Q706 VanDerWaalsContact C-N 3.34Å; I704-Q706 PolarHBondContact O-N 3.31Å; Q706-L709 PolarHBondContact O-N 3.37Å; Q706-L710 WeakPolarHBondContact O-CG 3.44Å; Q706-L710 PolarHBondContact O-N 3.18Å; Q706-L710 VanDerWaalsContact O-N 3.1Å |
| 707 | N | 86.8 | Confident | 80.7 | Confident | 95 Ų | 95 | 106.9 Ų | 106.9 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 176.2 | -70.6 | -4.8 | 0 | 0 | 0 | 111.9 | R703 I704 L709 L710 A711 | R703-N707 PolarHBondContact O-N 3.42Å; I704-N707 PolarHBondContact O-N 3.19Å; N707-L709 VanDerWaalsContact C-N 3.3Å; N707-L709 PolarHBondContact O-N 2.93Å; N707-L710 PolarHBondContact O-N 3.25Å; N707-A711 PolarHBondContact O-N 3.1Å; N707-A711 VanDerWaalsContact O-N 3.09Å |
| 708 | N | 85.4 | Confident | 79.1 | Confident | 88 Ų | 88 | 114.9 Ų | 114.9 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.6 | -34.9 | 175.8 | -71 | -17.4 | 0 | 0 | 0 | 112.1 | I704 L705 N712 | I704-N708 WeakPolarHBondContact O-CB 3.31Å; I704-N708 PolarHBondContact O-N 2.97Å; I704-N708 PolarHBondContact O-ND2 3.15Å; L705-N708 PolarHBondContact O-N 3.45Å; N708-N712 PolarHBondContact O-N 3.17Å; N708-N712 PolarHBondContact O-ND2 3.4Å |
| 709 | L | 81 | Confident | 77.4 | Confident | 114 Ų | 114 | 111.5 Ų | 111.5 | 60% | 0.597 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.7 | -45.9 | 176.2 | -167.2 | 72 | 0 | 0 | 0 | 111.3 | L705 Q706 N707 A711 N712 E713 | L705-L709 WeakPolarHBondContact O-CB 3.36Å; L705-L709 PolarHBondContact O-N 3.07Å; Q706-L709 PolarHBondContact O-N 3.37Å; N707-L709 VanDerWaalsContact C-N 3.3Å; N707-L709 PolarHBondContact O-N 2.93Å; L709-A711 PolarHBondContact O-N 3.31Å; L709-N712 PolarHBondContact O-N 2.86Å; L709-E713 PolarHBondContact O-N 3.25Å |
| 710 | L | 79.2 | Confident | 75.5 | Confident | 100 Ų | 100 | 110.2 Ų | 110.2 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.6 | -44 | 177.4 | -70.8 | 168.3 | 0 | 0 | 0 | 112.2 | Q706 N707 N712 E713 E714 | Q706-L710 WeakPolarHBondContact O-CG 3.44Å; Q706-L710 PolarHBondContact O-N 3.18Å; Q706-L710 VanDerWaalsContact O-N 3.1Å; N707-L710 PolarHBondContact O-N 3.25Å; L710-N712 VanDerWaalsContact C-N 3.32Å; L710-N712 PolarHBondContact O-N 3Å; L710-E713 PolarHBondContact O-N 3.36Å; L710-E713 VanDerWaalsContact O-N 3.17Å; L710-E714 PolarHBondContact O-N 2.94Å |
| 711 | A | 74.7 | Confident | 73.6 | Confident | 49 Ų | 49 | 108.4 Ų | 108.4 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N707 L709 E713 E714 D715 | N707-A711 PolarHBondContact O-N 3.1Å; N707-A711 VanDerWaalsContact O-N 3.09Å; L709-A711 PolarHBondContact O-N 3.31Å; A711-E713 VanDerWaalsContact C-N 3.35Å; A711-E713 PolarHBondContact O-N 2.69Å; A711-E714 PolarHBondContact O-N 3.09Å; A711-D715 PolarHBondContact O-N 3.04Å |
| 712 | N | 72.4 | Confident | 72 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67 | -31.6 | 175.6 | -84.8 | -87.8 | 0 | 0 | 0 | 113.1 | N708 L709 L710 R716 | N708-N712 PolarHBondContact O-N 3.17Å; N708-N712 PolarHBondContact O-ND2 3.4Å; L709-N712 PolarHBondContact O-N 2.86Å; L710-N712 VanDerWaalsContact C-N 3.32Å; L710-N712 PolarHBondContact O-N 3Å; N712-R716 WeakPolarHBondContact O-CB 3.37Å; N712-R716 WeakPolarHBondContact O-CG 3.5Å; N712-R716 PolarHBondContact O-N 2.76Å; N712-R716 VanDerWaalsContact O-N 3.08Å |
| 713 | E | 70.7 | Confident | 70.3 | Confident | 124 Ų | 124 | 109.9 Ų | 109.9 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.4 | -38 | 173.4 | -69.7 | -164.2 | 134.7 | 0 | 0 | 112.1 | L709 L710 A711 R716 S717 | L709-E713 PolarHBondContact O-N 3.25Å; L710-E713 PolarHBondContact O-N 3.36Å; L710-E713 VanDerWaalsContact O-N 3.17Å; A711-E713 VanDerWaalsContact C-N 3.35Å; A711-E713 PolarHBondContact O-N 2.69Å; E713-R716 PolarHBondContact O-N 3.07Å; E713-S717 WeakPolarHBondContact O-CB 3.43Å; E713-S717 PolarHBondContact O-N 3.15Å |
| 714 | E | 67.8 | Low | 68.7 | Low | 154 Ų | 154 | 110.2 Ų | 110.2 | 72% | 0.72 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.7 | -43.7 | 176.7 | -166.3 | 165.4 | -148.1 | 0 | 0 | 112 | L710 A711 S717 R718 | L710-E714 PolarHBondContact O-N 2.94Å; A711-E714 PolarHBondContact O-N 3.09Å; E714-S717 WeakPolarHBondContact O-CB 3.46Å; E714-S717 PolarHBondContact O-N 3.39Å; E714-R718 PolarHBondContact O-N 3.2Å |
| 715 | D | 62.4 | Low | 67.2 | Low | 116 Ų | 116 | 109.3 Ų | 109.3 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -42.9 | 173.1 | -90.4 | -29.6 | 0 | 0 | 0 | 112.6 | A711 S717 R718 | A711-D715 PolarHBondContact O-N 3.04Å; D715-S717 VanDerWaalsContact C-N 3.27Å; D715-S717 PolarHBondContact O-N 3.14Å; D715-R718 PolarHBondContact O-N 3.21Å; D715-R718 VanDerWaalsContact O-N 3.12Å |
| 716 | R | 59.8 | Low | 65.8 | Low | 191 Ų | 191 | 110.3 Ų | 110.3 | 72% | 0.721 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.5 | -33.8 | 176.9 | -73.7 | 175.6 | 96.5 | -177.5 | 8.6 | 112.1 | N712 E713 R718 G719 G720 | N712-R716 WeakPolarHBondContact O-CB 3.37Å; N712-R716 WeakPolarHBondContact O-CG 3.5Å; N712-R716 PolarHBondContact O-N 2.76Å; N712-R716 VanDerWaalsContact O-N 3.08Å; E713-R716 PolarHBondContact O-N 3.07Å; R716-R718 PolarHBondContact O-N 3.18Å; R716-G719 PolarHBondContact O-N 3.05Å; R716-G719 VanDerWaalsContact O-N 3.13Å; R716-G720 PolarHBondContact O-N 2.71Å |
| 717 | S | 59.2 | Low | 64.8 | Low | 107 Ų | 107 | 108.4 Ų | 108.4 | 75% | 0.748 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.7 | -29.4 | 175.4 | -162.8 | 0 | 0 | 0 | 0 | 112.8 | E713 E714 D715 | E713-S717 WeakPolarHBondContact O-CB 3.43Å; E713-S717 PolarHBondContact O-N 3.15Å; E714-S717 WeakPolarHBondContact O-CB 3.46Å; E714-S717 PolarHBondContact O-N 3.39Å; D715-S717 VanDerWaalsContact C-N 3.27Å; D715-S717 PolarHBondContact O-N 3.14Å |
| 718 | R | 57.3 | Low | 64.1 | Low | 233 Ų | 233 | 109.6 Ų | 109.6 | 88% | 0.879 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.9 | -19.6 | 174.2 | -89.5 | -175.7 | 167.2 | -150.5 | -1.5 | 115.2 | E714 D715 R716 | E714-R718 PolarHBondContact O-N 3.2Å; D715-R718 PolarHBondContact O-N 3.21Å; D715-R718 VanDerWaalsContact O-N 3.12Å; R716-R718 PolarHBondContact O-N 3.18Å |
| 719 | G | 53.5 | Low | 63.5 | Low | 43 Ų | 43 | 108.6 Ų | 108.6 | 44% | 0.443 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -114.4 | -7.7 | -172 | 0 | 0 | 0 | 0 | 0 | 117 | R716 A721 | R716-G719 PolarHBondContact O-N 3.05Å; R716-G719 VanDerWaalsContact O-N 3.13Å; G719-A721 VanDerWaalsContact C-N 3.27Å; G719-A721 PolarHBondContact O-N 2.9Å |
| 720 | G | 51 | Low | 63.2 | Low | 36 Ų | 36 | 109.8 Ų | 109.8 | 37% | 0.371 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.6 | -11.9 | -159.9 | 0 | 0 | 0 | 0 | 0 | 119 | R716 T724 | R716-G720 PolarHBondContact O-N 2.71Å; G720-T724 WeakPolarHBondContact O-CG2 3.44Å; G720-T724 PolarHBondContact O-OG1 2.9Å; G720-T724 VanDerWaalsContact O-OG1 3.13Å |
| 721 | A | 51.5 | Low | 62.9 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 78% | 0.777 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.3 | -23.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G719 | G719-A721 VanDerWaalsContact C-N 3.27Å; G719-A721 PolarHBondContact O-N 2.9Å |
| 722 | I | 55.5 | Low | 62.9 | Low | 142 Ų | 142 | 114.3 Ų | 114.3 | 73% | 0.728 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -105.3 | -40.7 | -175.7 | -62.8 | 176.3 | 0 | 0 | 0 | 111.2 | T724 | I722-T724 PolarHBondContact O-N 3.23Å; I722-T724 VanDerWaalsContact O-N 3.14Å |
| 723 | M | 54 | Low | 63.3 | Low | 116 Ų | 116 | 112.9 Ų | 112.9 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.5 | -23 | -177.8 | -69.3 | -76.1 | -78.6 | 0 | 0 | 114.5 | A725 N727 | M723-A725 VanDerWaalsContact C-N 3.33Å; M723-A725 PolarHBondContact O-N 2.87Å; M723-N727 PolarHBondContact O-N 3.47Å; M723-N727 PolarHBondContact O-ND2 2.86Å |
| 724 | T | 57.1 | Low | 63.8 | Low | 99 Ų | 99 | 109.1 Ų | 109.1 | 61% | 0.607 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.4 | -19 | -170.7 | 35.5 | 0 | 0 | 0 | 0 | 114.5 | G720 I722 | G720-T724 WeakPolarHBondContact O-CG2 3.44Å; G720-T724 PolarHBondContact O-OG1 2.9Å; G720-T724 VanDerWaalsContact O-OG1 3.13Å; I722-T724 PolarHBondContact O-N 3.23Å; I722-T724 VanDerWaalsContact O-N 3.14Å |
| 725 | A | 56.9 | Low | 64.7 | Low | 75 Ų | 75 | 107.6 Ų | 107.6 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -80.2 | -47 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M723 N728 | M723-A725 VanDerWaalsContact C-N 3.33Å; M723-A725 PolarHBondContact O-N 2.87Å; A725-N728 PolarHBondContact O-N 3.07Å |
| 726 | E | 59.4 | Low | 65.6 | Low | 136 Ų | 136 | 107.9 Ų | 107.9 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.6 | -44.4 | -175.2 | -66.8 | 178.9 | 128 | 0 | 0 | 112 | N728 A729 E730 | E726-N728 PolarHBondContact O-N 3.33Å; E726-N728 VanDerWaalsContact O-N 3.08Å; E726-A729 PolarHBondContact O-N 3.43Å; E726-E730 PolarHBondContact O-N 3.46Å |
| 727 | N | 64.8 | Low | 66.7 | Low | 67 Ų | 67 | 103.6 Ų | 103.6 | 36% | 0.358 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -53.9 | -33.5 | 176.9 | -83.1 | -92.2 | 0 | 0 | 0 | 112.6 | M723 A729 E730 F731 | M723-N727 PolarHBondContact O-N 3.47Å; M723-N727 PolarHBondContact O-ND2 2.86Å; N727-A729 VanDerWaalsContact C-N 3.34Å; N727-E730 PolarHBondContact O-N 3.14Å; N727-F731 PolarHBondContact O-N 3.42Å; N727-F731 VanDerWaalsContact O-N 3.08Å |
| 728 | N | 72.6 | Confident | 68 | Low | 119 Ų | 119 | 105.6 Ų | 105.6 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.8 | -24.9 | -176.7 | -147.5 | 50 | 0 | 0 | 0 | 112.7 | A725 E726 | A725-N728 PolarHBondContact O-N 3.07Å; E726-N728 PolarHBondContact O-N 3.33Å; E726-N728 VanDerWaalsContact O-N 3.08Å |
| 729 | A | 72.9 | Confident | 69.3 | Low | 68 Ų | 68 | 99.1 Ų | 99.1 | 56% | 0.562 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.5 | -39.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E726 N727 F731 A733 | E726-A729 PolarHBondContact O-N 3.43Å; N727-A729 VanDerWaalsContact C-N 3.34Å; A729-F731 VanDerWaalsContact C-N 3.35Å; A729-A733 PolarHBondContact O-N 2.93Å |
| 730 | E | 73.6 | Confident | 70.9 | Confident | 138 Ų | 138 | 103.9 Ų | 103.9 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.7 | -36.7 | 175.5 | -63.6 | -167.6 | 149.6 | 0 | 0 | 112.2 | E726 N727 A733 A734 | E726-E730 PolarHBondContact O-N 3.46Å; N727-E730 PolarHBondContact O-N 3.14Å; E730-A733 PolarHBondContact O-N 3.2Å; E730-A734 WeakPolarHBondContact O-CB 3.35Å; E730-A734 PolarHBondContact O-N 3Å |
| 731 | F | 73.5 | Confident | 72.5 | Confident | 153 Ų | 153 | 107 Ų | 107 | 67% | 0.671 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.9 | -45.4 | 177.5 | -109.2 | -82.5 | 0 | 0 | 0 | 113.5 | N727 A729 A734 R735 | N727-F731 PolarHBondContact O-N 3.42Å; N727-F731 VanDerWaalsContact O-N 3.08Å; A729-F731 VanDerWaalsContact C-N 3.35Å; F731-A734 PolarHBondContact O-N 3.13Å; F731-R735 WeakPolarHBondContact O-CB 3.39Å; F731-R735 PolarHBondContact O-N 3.31Å |
| 732 | E | 75.4 | Confident | 74.2 | Confident | 92 Ų | 92 | 107.2 Ų | 107.2 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72 | -32.3 | 176.8 | -79.2 | -67.3 | 173.5 | 0 | 0 | 112.2 | R735 M736 | E732-R735 VanDerWaalsContact CD-NH1 3.34Å; E732-R735 PolarHBondContact O-N 3.2Å; E732-R735 IonicContact OE1-CZ 3.75Å; E732-R735 IonicContact OE1-NH1 2.58Å; E732-R735 PolarHBondContact OE1-NH1 2.98Å; E732-R735 WeakPolarHBondContact OE2-CD 3.42Å; E732-R735 IonicContact OE2-CZ 2.73Å; E732-R735 IonicContact OE2-NE 3.64Å; E732-R735 IonicContact OE2-NH1 2.87Å; E732-R735 PolarHBondContact OE2-NH1 3.39Å; E732-M736 WeakPolarHBondContact O-CB 3.49Å; E732-M736 VanDerWaalsContact O-CG 3.3Å; E732-M736 WeakPolarHBondContact O-CG 3.42Å; E732-M736 PolarHBondContact O-N 2.99Å |
| 733 | A | 79.7 | Confident | 75.7 | Confident | 67 Ų | 67 | 102.3 Ų | 102.3 | 55% | 0.554 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A729 E730 N737 | A729-A733 PolarHBondContact O-N 2.93Å; E730-A733 PolarHBondContact O-N 3.2Å; A733-N737 PolarHBondContact O-N 3.17Å |
| 734 | A | 82.7 | Confident | 77.2 | Confident | 46 Ų | 46 | 101.2 Ų | 101.2 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E730 F731 M736 N737 Y738 | E730-A734 WeakPolarHBondContact O-CB 3.35Å; E730-A734 PolarHBondContact O-N 3Å; F731-A734 PolarHBondContact O-N 3.13Å; A734-M736 PolarHBondContact O-N 3.07Å; A734-N737 WeakPolarHBondContact O-CB 3.27Å; A734-N737 PolarHBondContact O-N 3.43Å; A734-N737 VanDerWaalsContact O-N 3.1Å; A734-Y738 VanDerWaalsContact O-CD2 3.29Å; A734-Y738 WeakPolarHBondContact O-CD2 3.31Å; A734-Y738 PolarHBondContact O-N 2.81Å; A734-Y738 VanDerWaalsContact O-N 3.07Å |
| 735 | R | 84.9 | Confident | 78.7 | Confident | 122 Ų | 122 | 101.1 Ų | 101.1 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 177.4 | 179.7 | -179 | 151.7 | -138.2 | -13.6 | 112.3 | F731 E732 N737 Y738 E739 | F731-R735 WeakPolarHBondContact O-CB 3.39Å; F731-R735 PolarHBondContact O-N 3.31Å; E732-R735 VanDerWaalsContact CD-NH1 3.34Å; E732-R735 PolarHBondContact O-N 3.2Å; E732-R735 IonicContact OE1-CZ 3.75Å; E732-R735 IonicContact OE1-NH1 2.58Å; E732-R735 PolarHBondContact OE1-NH1 2.98Å; E732-R735 WeakPolarHBondContact OE2-CD 3.42Å; E732-R735 IonicContact OE2-CZ 2.73Å; E732-R735 IonicContact OE2-NE 3.64Å; E732-R735 IonicContact OE2-NH1 2.87Å; E732-R735 PolarHBondContact OE2-NH1 3.39Å; R735-N737 PolarHBondContact O-N 3.25Å; R735-Y738 PolarHBondContact O-N 3.05Å; R735-Y738 VanDerWaalsContact O-N 3.13Å; R735-E739 IonicContact CZ-OE1 2.67Å; R735-E739 VanDerWaalsContact CZ-OE1 3.26Å; R735-E739 IonicContact NE-OE1 3.4Å; R735-E739 PolarHBondContact NE-OE1 3.21Å; R735-E739 IonicContact NH2-OE1 3.6Å; R735-E739 PolarHBondContact NH2-OE1 3.21Å; R735-E739 PolarHBondContact O-N 2.81Å |
| 736 | M | 81.4 | Confident | 80.1 | Confident | 122 Ų | 122 | 102.1 Ų | 102.1 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.2 | -28.3 | 175.9 | -75.3 | -68.6 | -64.2 | 0 | 0 | 113 | E732 A734 K740 | E732-M736 WeakPolarHBondContact O-CB 3.49Å; E732-M736 VanDerWaalsContact O-CG 3.3Å; E732-M736 WeakPolarHBondContact O-CG 3.42Å; E732-M736 PolarHBondContact O-N 2.99Å; A734-M736 PolarHBondContact O-N 3.07Å; M736-K740 PolarHBondContact O-N 3.1Å |
| 737 | N | 84.7 | Confident | 81.5 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -76.7 | -41 | 175.7 | -160 | 45.1 | 0 | 0 | 0 | 111.9 | A733 A734 R735 K740 E741 | A733-N737 PolarHBondContact O-N 3.17Å; A734-N737 WeakPolarHBondContact O-CB 3.27Å; A734-N737 PolarHBondContact O-N 3.43Å; A734-N737 VanDerWaalsContact O-N 3.1Å; R735-N737 PolarHBondContact O-N 3.25Å; N737-K740 WeakPolarHBondContact O-CB 3.38Å; N737-K740 PolarHBondContact O-N 2.96Å; N737-E741 PolarHBondContact O-N 3.29Å |
| 738 | Y | 86 | Confident | 82.5 | Confident | 150 Ų | 150 | 103.9 Ų | 103.9 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 174.2 | -73 | -60.2 | 0 | 0 | 0 | 112.9 | A734 R735 K740 E741 I742 | A734-Y738 VanDerWaalsContact O-CD2 3.29Å; A734-Y738 WeakPolarHBondContact O-CD2 3.31Å; A734-Y738 PolarHBondContact O-N 2.81Å; A734-Y738 VanDerWaalsContact O-N 3.07Å; R735-Y738 PolarHBondContact O-N 3.05Å; R735-Y738 VanDerWaalsContact O-N 3.13Å; Y738-K740 PolarHBondContact O-N 2.94Å; Y738-E741 PolarHBondContact O-N 3.01Å; Y738-E741 VanDerWaalsContact O-N 3.17Å; Y738-I742 WeakPolarHBondContact O-CG1 3.49Å; Y738-I742 PolarHBondContact O-N 2.92Å |
| 739 | E | 83.8 | Confident | 83.3 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 45% | 0.453 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.1 | -35.4 | 175.7 | -71.8 | -176.7 | -164.2 | 0 | 0 | 111.4 | R735 G743 | R735-E739 IonicContact CZ-OE1 2.67Å; R735-E739 VanDerWaalsContact CZ-OE1 3.26Å; R735-E739 IonicContact NE-OE1 3.4Å; R735-E739 PolarHBondContact NE-OE1 3.21Å; R735-E739 IonicContact NH2-OE1 3.6Å; R735-E739 PolarHBondContact NH2-OE1 3.21Å; R735-E739 PolarHBondContact O-N 2.81Å; E739-G743 PolarHBondContact O-N 3.01Å |
| 740 | K | 87.3 | Confident | 84 | Confident | 143 Ų | 143 | 106.2 Ų | 106.2 | 62% | 0.622 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.5 | -39.8 | 174.8 | -176.9 | -175.8 | 176.8 | -172.8 | 0 | 113.3 | M736 N737 Y738 G743 L744 | M736-K740 PolarHBondContact O-N 3.1Å; N737-K740 WeakPolarHBondContact O-CB 3.38Å; N737-K740 PolarHBondContact O-N 2.96Å; Y738-K740 PolarHBondContact O-N 2.94Å; K740-G743 PolarHBondContact O-N 3.4Å; K740-L744 PolarHBondContact O-N 2.92Å; K740-L744 VanDerWaalsContact O-N 3.15Å |
| 741 | E | 85.3 | Confident | 84.7 | Confident | 102 Ų | 102 | 105.7 Ų | 105.7 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 176.5 | -174.7 | 166.4 | -151.4 | 0 | 0 | 111.7 | N737 Y738 G743 L744 L745 | N737-E741 PolarHBondContact O-N 3.29Å; Y738-E741 PolarHBondContact O-N 3.01Å; Y738-E741 VanDerWaalsContact O-N 3.17Å; E741-G743 VanDerWaalsContact C-N 3.26Å; E741-G743 PolarHBondContact O-N 3.12Å; E741-L744 PolarHBondContact O-N 3.44Å; E741-L744 VanDerWaalsContact O-N 3.12Å; E741-L745 HydrophobicContact CG-CD1 4.25Å; E741-L745 WeakPolarHBondContact O-CG 3.35Å; E741-L745 PolarHBondContact O-N 2.87Å |
| 742 | I | 86.1 | Confident | 85.3 | Confident | 97 Ų | 97 | 102.3 Ų | 102.3 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -38.3 | 171.8 | -69 | 165.5 | 0 | 0 | 0 | 111 | Y738 L745 N746 | Y738-I742 WeakPolarHBondContact O-CG1 3.49Å; Y738-I742 PolarHBondContact O-N 2.92Å; I742-L745 PolarHBondContact O-N 3.11Å; I742-N746 WeakPolarHBondContact CG2-ND2 3.31Å; I742-N746 WeakPolarHBondContact O-CB 3.25Å; I742-N746 PolarHBondContact O-N 3.46Å; I742-N746 PolarHBondContact O-ND2 2.77Å |
| 743 | G | 87.1 | Confident | 86 | Confident | 40 Ų | 40 | 100.5 Ų | 100.5 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | E739 K740 E741 Q747 | E739-G743 PolarHBondContact O-N 3.01Å; K740-G743 PolarHBondContact O-N 3.4Å; E741-G743 VanDerWaalsContact C-N 3.26Å; E741-G743 PolarHBondContact O-N 3.12Å; G743-Q747 PolarHBondContact O-N 3.42Å; G743-Q747 VanDerWaalsContact O-N 3.12Å |
| 744 | L | 87 | Confident | 86.4 | Confident | 93 Ų | 93 | 104.1 Ų | 104.1 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 177.4 | -76.6 | 161.1 | 0 | 0 | 0 | 112.5 | K740 E741 Q747 Q748 | K740-L744 PolarHBondContact O-N 2.92Å; K740-L744 VanDerWaalsContact O-N 3.15Å; E741-L744 PolarHBondContact O-N 3.44Å; E741-L744 VanDerWaalsContact O-N 3.12Å; L744-Q747 WeakPolarHBondContact O-CB 3.41Å; L744-Q747 PolarHBondContact O-N 2.99Å; L744-Q748 PolarHBondContact O-N 3.28Å |
| 745 | L | 87.2 | Confident | 86.7 | Confident | 97 Ų | 97 | 105.4 Ų | 105.4 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 177.6 | -71 | 169.2 | 0 | 0 | 0 | 111.9 | E741 I742 Q747 Q748 L749 | E741-L745 HydrophobicContact CG-CD1 4.25Å; E741-L745 WeakPolarHBondContact O-CG 3.35Å; E741-L745 PolarHBondContact O-N 2.87Å; I742-L745 PolarHBondContact O-N 3.11Å; L745-Q747 VanDerWaalsContact C-N 3.33Å; L745-Q747 PolarHBondContact O-N 2.9Å; L745-Q748 PolarHBondContact O-N 3.45Å; L745-L749 WeakPolarHBondContact O-CB 3.45Å; L745-L749 PolarHBondContact O-N 2.99Å |
| 746 | N | 86.5 | Confident | 86.6 | Confident | 95 Ų | 95 | 102.8 Ų | 102.8 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 174.1 | -79.3 | -59.4 | 0 | 0 | 0 | 112.6 | I742 L750 | I742-N746 WeakPolarHBondContact CG2-ND2 3.31Å; I742-N746 WeakPolarHBondContact O-CB 3.25Å; I742-N746 PolarHBondContact O-N 3.46Å; I742-N746 PolarHBondContact O-ND2 2.77Å; N746-L750 PolarHBondContact O-N 2.91Å; N746-L750 VanDerWaalsContact O-N 3.07Å |
| 747 | Q | 88.1 | Confident | 86.9 | Confident | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -47.2 | 174.2 | -175.3 | 175.5 | -2 | 0 | 0 | 111.5 | G743 L744 L745 L749 L750 E751 | G743-Q747 PolarHBondContact O-N 3.42Å; G743-Q747 VanDerWaalsContact O-N 3.12Å; L744-Q747 WeakPolarHBondContact O-CB 3.41Å; L744-Q747 PolarHBondContact O-N 2.99Å; L745-Q747 VanDerWaalsContact C-N 3.33Å; L745-Q747 PolarHBondContact O-N 2.9Å; Q747-L749 VanDerWaalsContact C-N 3.32Å; Q747-L749 PolarHBondContact O-N 2.89Å; Q747-L750 PolarHBondContact O-N 3.21Å; Q747-E751 PolarHBondContact O-N 2.81Å |
| 748 | Q | 87.1 | Confident | 87.3 | Confident | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 176.5 | -72.7 | -179.1 | -16.2 | 0 | 0 | 112.3 | L744 L745 E751 T752 | L744-Q748 PolarHBondContact O-N 3.28Å; L745-Q748 PolarHBondContact O-N 3.45Å; Q748-E751 PolarHBondContact O-N 2.84Å; Q748-T752 VanDerWaalsContact O-CB 3.31Å; Q748-T752 WeakPolarHBondContact O-CB 3.5Å; Q748-T752 PolarHBondContact O-N 3.32Å; Q748-T752 PolarHBondContact O-OG1 3.35Å |
| 749 | L | 88.6 | Confident | 87.3 | Confident | 107 Ų | 107 | 102.1 Ų | 102.1 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 175.3 | -178.9 | 61.5 | 0 | 0 | 0 | 111.9 | L745 Q747 T753 | L745-L749 WeakPolarHBondContact O-CB 3.45Å; L745-L749 PolarHBondContact O-N 2.99Å; Q747-L749 VanDerWaalsContact C-N 3.32Å; Q747-L749 PolarHBondContact O-N 2.89Å; L749-T753 VanDerWaalsContact O-CB 3.25Å; L749-T753 WeakPolarHBondContact O-CB 3.28Å; L749-T753 PolarHBondContact O-N 2.92Å; L749-T753 PolarHBondContact O-OG1 3.02Å |
| 750 | L | 88.7 | Confident | 87.4 | Confident | 129 Ų | 129 | 103.6 Ų | 103.6 | 68% | 0.675 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 177.4 | -176.3 | 63.3 | 0 | 0 | 0 | 112 | N746 Q747 T753 F754 | N746-L750 PolarHBondContact O-N 2.91Å; N746-L750 VanDerWaalsContact O-N 3.07Å; Q747-L750 PolarHBondContact O-N 3.21Å; L750-T753 PolarHBondContact O-N 3.1Å; L750-F754 PolarHBondContact O-N 3.42Å |
| 751 | E | 88.1 | Confident | 87.5 | Confident | 128 Ų | 128 | 99.4 Ų | 99.4 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -47.3 | 176.5 | -174 | 167.5 | -149.6 | 0 | 0 | 111.6 | Q747 Q748 T753 F754 E755 | Q747-E751 PolarHBondContact O-N 2.81Å; Q748-E751 PolarHBondContact O-N 2.84Å; E751-T753 VanDerWaalsContact C-N 3.32Å; E751-T753 PolarHBondContact O-N 2.97Å; E751-F754 WeakPolarHBondContact O-CB 3.43Å; E751-F754 PolarHBondContact O-N 3.07Å; E751-F754 VanDerWaalsContact O-N 3.12Å; E751-E755 PolarHBondContact O-N 2.75Å |
| 752 | T | 86.6 | Confident | 87.6 | Confident | 82 Ų | 82 | 98 Ų | 98 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.9 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | Q748 F754 E755 C756 | Q748-T752 VanDerWaalsContact O-CB 3.31Å; Q748-T752 WeakPolarHBondContact O-CB 3.5Å; Q748-T752 PolarHBondContact O-N 3.32Å; Q748-T752 PolarHBondContact O-OG1 3.35Å; T752-F754 VanDerWaalsContact C-N 3.29Å; T752-F754 PolarHBondContact O-N 3.46Å; T752-E755 PolarHBondContact O-N 3.36Å; T752-C756 PolarHBondContact O-N 2.99Å; T752-C756 PolarHBondContact O-SG 3.12Å |
| 753 | T | 89.6 | Confident | 87.8 | Confident | 53 Ų | 53 | 100.7 Ų | 100.7 | 33% | 0.325 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -32.8 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | L749 L750 E751 R757 | L749-T753 VanDerWaalsContact O-CB 3.25Å; L749-T753 WeakPolarHBondContact O-CB 3.28Å; L749-T753 PolarHBondContact O-N 2.92Å; L749-T753 PolarHBondContact O-OG1 3.02Å; L750-T753 PolarHBondContact O-N 3.1Å; E751-T753 VanDerWaalsContact C-N 3.32Å; E751-T753 PolarHBondContact O-N 2.97Å; T753-R757 WeakPolarHBondContact O-CG 3.38Å; T753-R757 PolarHBondContact O-N 3.27Å |
| 754 | F | 88.3 | Confident | 87.9 | Confident | 143 Ų | 143 | 101.7 Ų | 101.7 | 63% | 0.627 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.6 | -46.6 | 174.4 | -174.7 | -92.6 | 0 | 0 | 0 | 111.3 | L750 E751 T752 C756 R757 R758 | L750-F754 PolarHBondContact O-N 3.42Å; E751-F754 WeakPolarHBondContact O-CB 3.43Å; E751-F754 PolarHBondContact O-N 3.07Å; E751-F754 VanDerWaalsContact O-N 3.12Å; T752-F754 VanDerWaalsContact C-N 3.29Å; T752-F754 PolarHBondContact O-N 3.46Å; F754-C756 PolarHBondContact O-N 3.22Å; F754-R757 PolarHBondContact O-N 3.18Å; F754-R758 PolarHBondContact O-N 2.93Å |
| 755 | E | 87.5 | Confident | 88 | Confident | 74 Ų | 74 | 104.1 Ų | 104.1 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 177.2 | -81.7 | -61.2 | 106.7 | 0 | 0 | 112.9 | E751 T752 R757 R758 L759 | E751-E755 PolarHBondContact O-N 2.75Å; T752-E755 PolarHBondContact O-N 3.36Å; E755-R757 VanDerWaalsContact C-N 3.33Å; E755-R757 PolarHBondContact O-N 3.38Å; E755-R758 VanDerWaalsContact CD-NE 3.27Å; E755-R758 WeakPolarHBondContact O-CB 3.39Å; E755-R758 PolarHBondContact O-N 3.48Å; E755-R758 VanDerWaalsContact O-N 3.13Å; E755-R758 WeakPolarHBondContact OE1-CD 3.3Å; E755-R758 IonicContact OE1-CZ 3.86Å; E755-R758 IonicContact OE1-NE 2.74Å; E755-R758 PolarHBondContact OE1-NE 3.5Å; E755-R758 IonicContact OE2-CZ 3.06Å; E755-R758 VanDerWaalsContact OE2-CZ 3.24Å; E755-R758 IonicContact OE2-NE 3.61Å; E755-R758 PolarHBondContact OE2-NE 2.94Å; E755-R758 IonicContact OE2-NH2 3.45Å; E755-R758 PolarHBondContact OE2-NH2 3.28Å; E755-L759 WeakPolarHBondContact O-CG 3.37Å; E755-L759 PolarHBondContact O-N 2.91Å |
| 756 | C | 83.8 | Confident | 88.1 | Confident | 67 Ų | 67 | 103.3 Ų | 103.3 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.8 | -45.4 | 172.3 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | T752 F754 R758 L759 E760 | T752-C756 PolarHBondContact O-N 2.99Å; T752-C756 PolarHBondContact O-SG 3.12Å; F754-C756 PolarHBondContact O-N 3.22Å; C756-R758 VanDerWaalsContact C-N 3.33Å; C756-R758 PolarHBondContact O-N 3.12Å; C756-L759 PolarHBondContact O-N 3.15Å; C756-E760 WeakPolarHBondContact O-CG 3.26Å; C756-E760 PolarHBondContact O-N 3.35Å |
| 757 | R | 88.1 | Confident | 88.1 | Confident | 167 Ų | 167 | 101.6 Ų | 101.6 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -34.5 | 176.3 | -68 | 177.1 | -167.2 | -168.9 | 5.5 | 112.6 | T753 F754 E755 A761 | T753-R757 WeakPolarHBondContact O-CG 3.38Å; T753-R757 PolarHBondContact O-N 3.27Å; F754-R757 PolarHBondContact O-N 3.18Å; E755-R757 VanDerWaalsContact C-N 3.33Å; E755-R757 PolarHBondContact O-N 3.38Å; R757-A761 WeakPolarHBondContact O-CB 3.33Å; R757-A761 PolarHBondContact O-N 3.41Å; R757-A761 VanDerWaalsContact O-N 3.11Å |
| 758 | R | 91.8 | Very high | 88.1 | Confident | 101 Ų | 101 | 101.8 Ų | 101.8 | 38% | 0.381 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.9 | -166.3 | -170.7 | 62.8 | 65.5 | 4.1 | 110.8 | F754 E755 C756 A761 E762 | F754-R758 PolarHBondContact O-N 2.93Å; E755-R758 VanDerWaalsContact CD-NE 3.27Å; E755-R758 WeakPolarHBondContact O-CB 3.39Å; E755-R758 PolarHBondContact O-N 3.48Å; E755-R758 VanDerWaalsContact O-N 3.13Å; E755-R758 WeakPolarHBondContact OE1-CD 3.3Å; E755-R758 IonicContact OE1-CZ 3.86Å; E755-R758 IonicContact OE1-NE 2.74Å; E755-R758 PolarHBondContact OE1-NE 3.5Å; E755-R758 IonicContact OE2-CZ 3.06Å; E755-R758 VanDerWaalsContact OE2-CZ 3.24Å; E755-R758 IonicContact OE2-NE 3.61Å; E755-R758 PolarHBondContact OE2-NE 2.94Å; E755-R758 IonicContact OE2-NH2 3.45Å; E755-R758 PolarHBondContact OE2-NH2 3.28Å; C756-R758 VanDerWaalsContact C-N 3.33Å; C756-R758 PolarHBondContact O-N 3.12Å; R758-A761 PolarHBondContact O-N 3.07Å; R758-E762 IonicContact NH1-OE2 2.69Å; R758-E762 PolarHBondContact NH1-OE2 2.93Å; R758-E762 PolarHBondContact O-N 2.83Å |
| 759 | L | 86.4 | Confident | 88.2 | Confident | 90 Ų | 90 | 103 Ų | 103 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.9 | -36.1 | 177.6 | -68.4 | 170.9 | 0 | 0 | 0 | 112.7 | E755 C756 E762 R763 | E755-L759 WeakPolarHBondContact O-CG 3.37Å; E755-L759 PolarHBondContact O-N 2.91Å; C756-L759 PolarHBondContact O-N 3.15Å; L759-E762 WeakPolarHBondContact O-CB 3.41Å; L759-E762 PolarHBondContact O-N 2.82Å; L759-E762 VanDerWaalsContact O-N 3.17Å; L759-R763 PolarHBondContact O-N 2.85Å |
| 760 | E | 87.2 | Confident | 88.3 | Confident | 128 Ų | 128 | 101.1 Ų | 101.1 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.8 | -45.4 | 170.8 | -76.5 | 176.6 | 161.6 | 0 | 0 | 111.6 | C756 E762 R763 A764 | C756-E760 WeakPolarHBondContact O-CG 3.26Å; C756-E760 PolarHBondContact O-N 3.35Å; E760-E762 PolarHBondContact O-N 3.12Å; E760-R763 PolarHBondContact O-N 3.12Å; E760-A764 WeakPolarHBondContact O-CB 3.37Å; E760-A764 PolarHBondContact O-N 3.43Å |
| 761 | A | 88.8 | Confident | 88.1 | Confident | 54 Ų | 54 | 97.2 Ų | 97.2 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.9 | -18.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R757 R758 R765 | R757-A761 WeakPolarHBondContact O-CB 3.33Å; R757-A761 PolarHBondContact O-N 3.41Å; R757-A761 VanDerWaalsContact O-N 3.11Å; R758-A761 PolarHBondContact O-N 3.07Å; A761-R765 WeakPolarHBondContact O-CG 3.4Å; A761-R765 PolarHBondContact O-NE 3.34Å |
| 762 | E | 87.2 | Confident | 88.2 | Confident | 74 Ų | 74 | 94.5 Ų | 94.5 | 35% | 0.346 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -79 | -49.9 | 170.1 | -160.1 | 123 | -107.8 | 0 | 0 | 110.8 | R758 L759 E760 A764 R765 V766 | R758-E762 IonicContact NH1-OE2 2.69Å; R758-E762 PolarHBondContact NH1-OE2 2.93Å; R758-E762 PolarHBondContact O-N 2.83Å; L759-E762 WeakPolarHBondContact O-CB 3.41Å; L759-E762 PolarHBondContact O-N 2.82Å; L759-E762 VanDerWaalsContact O-N 3.17Å; E760-E762 PolarHBondContact O-N 3.12Å; E762-A764 VanDerWaalsContact C-N 3.27Å; E762-A764 PolarHBondContact O-N 2.96Å; E762-R765 PolarHBondContact O-N 3.35Å; E762-R765 VanDerWaalsContact O-N 3.15Å; E762-R765 IonicContact OE1-CZ 3.54Å; E762-R765 IonicContact OE1-NH2 3.6Å; E762-R765 PolarHBondContact OE1-NH2 3.25Å; E762-V766 WeakPolarHBondContact O-CG2 3.28Å; E762-V766 PolarHBondContact O-N 3.26Å |
| 763 | R | 89.8 | Confident | 88.3 | Confident | 153 Ų | 153 | 93.7 Ų | 93.7 | 58% | 0.577 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -55.6 | -40.9 | 174.9 | -171.5 | -178.2 | -177.8 | -156.1 | -0.2 | 111.8 | S172 L759 E760 V766 A767 | S172-R763 PolarHBondContact O-NH2 3.35Å; L759-R763 PolarHBondContact O-N 2.85Å; E760-R763 PolarHBondContact O-N 3.12Å; R763-V766 PolarHBondContact O-N 2.78Å; R763-A767 WeakPolarHBondContact O-CB 3.43Å; R763-A767 PolarHBondContact O-N 3.47Å |
| 764 | A | 90 | Very high | 88.2 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E760 E762 V766 A767 E768 | E760-A764 WeakPolarHBondContact O-CB 3.37Å; E760-A764 PolarHBondContact O-N 3.43Å; E762-A764 VanDerWaalsContact C-N 3.27Å; E762-A764 PolarHBondContact O-N 2.96Å; A764-V766 VanDerWaalsContact C-N 3.34Å; A764-V766 PolarHBondContact O-N 2.95Å; A764-A767 PolarHBondContact O-N 3.26Å; A764-E768 PolarHBondContact O-N 2.97Å |
| 765 | R | 88.4 | Confident | 88.2 | Confident | 144 Ų | 144 | 97 Ų | 97 | 54% | 0.543 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 177.3 | -71.7 | 179 | -68.6 | 140.4 | 4.7 | 112.4 | A761 E762 R769 | A761-R765 WeakPolarHBondContact O-CG 3.4Å; A761-R765 PolarHBondContact O-NE 3.34Å; E762-R765 PolarHBondContact O-N 3.35Å; E762-R765 VanDerWaalsContact O-N 3.15Å; E762-R765 IonicContact OE1-CZ 3.54Å; E762-R765 IonicContact OE1-NH2 3.6Å; E762-R765 PolarHBondContact OE1-NH2 3.25Å; R765-R769 PolarHBondContact O-N 3.39Å; R765-R769 VanDerWaalsContact O-N 3.14Å |
| 766 | V | 88.9 | Confident | 88.3 | Confident | 81 Ų | 81 | 99.1 Ų | 99.1 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 111 | E762 R763 A764 R769 N770 | E762-V766 WeakPolarHBondContact O-CG2 3.28Å; E762-V766 PolarHBondContact O-N 3.26Å; R763-V766 PolarHBondContact O-N 2.78Å; A764-V766 VanDerWaalsContact C-N 3.34Å; A764-V766 PolarHBondContact O-N 2.95Å; V766-R769 PolarHBondContact O-N 3.45Å; V766-N770 PolarHBondContact O-N 2.99Å |
| 767 | A | 87.9 | Confident | 88.4 | Confident | 58 Ų | 58 | 101.4 Ų | 101.4 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R763 A764 N770 S771 | R763-A767 WeakPolarHBondContact O-CB 3.43Å; R763-A767 PolarHBondContact O-N 3.47Å; A764-A767 PolarHBondContact O-N 3.26Å; A767-N770 PolarHBondContact O-N 3.41Å; A767-S771 WeakPolarHBondContact O-CB 3.5Å; A767-S771 PolarHBondContact O-N 2.72Å |
| 768 | E | 87.4 | Confident | 88.5 | Confident | 131 Ų | 131 | 98.1 Ų | 98.1 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58 | -47.3 | 172.3 | -176.3 | 173.4 | -148.1 | 0 | 0 | 111 | A764 S771 D772 | A764-E768 PolarHBondContact O-N 2.97Å; E768-S771 WeakPolarHBondContact O-CB 3.33Å; E768-S771 PolarHBondContact O-N 3.41Å; E768-S771 VanDerWaalsContact O-N 3.16Å; E768-D772 PolarHBondContact O-N 2.97Å |
| 769 | R | 90.2 | Very high | 88.4 | Confident | 138 Ų | 138 | 97.1 Ų | 97.1 | 52% | 0.521 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68 | -34.3 | 178.4 | -176 | 146.7 | -171.3 | 67.8 | 9 | 113.8 | R765 V766 S771 D772 L773 | R765-R769 PolarHBondContact O-N 3.39Å; R765-R769 VanDerWaalsContact O-N 3.14Å; V766-R769 PolarHBondContact O-N 3.45Å; R769-S771 VanDerWaalsContact C-N 3.31Å; R769-D772 WeakPolarHBondContact O-CB 3.39Å; R769-D772 PolarHBondContact O-N 3.18Å; R769-L773 HydrophobicContact CG-CD1 4.24Å; R769-L773 WeakPolarHBondContact O-CG 3.37Å; R769-L773 PolarHBondContact O-N 3.44Å |
| 770 | N | 89 | Confident | 88.5 | Confident | 69 Ų | 69 | 96.1 Ų | 96.1 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.3 | -34.6 | 172 | -79.3 | 14.1 | 0 | 0 | 0 | 111.3 | V766 A767 L773 Q774 | V766-N770 PolarHBondContact O-N 2.99Å; A767-N770 PolarHBondContact O-N 3.41Å; N770-L773 PolarHBondContact O-N 3.47Å; N770-Q774 WeakPolarHBondContact O-CB 3.45Å; N770-Q774 WeakPolarHBondContact O-CG 3.4Å; N770-Q774 PolarHBondContact O-N 3.12Å |
| 771 | S | 86.1 | Confident | 88.5 | Confident | 47 Ų | 47 | 97.6 Ų | 97.6 | 33% | 0.329 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 173 | -162.9 | 0 | 0 | 0 | 0 | 112.4 | A767 E768 R769 R775 | A767-S771 WeakPolarHBondContact O-CB 3.5Å; A767-S771 PolarHBondContact O-N 2.72Å; E768-S771 WeakPolarHBondContact O-CB 3.33Å; E768-S771 PolarHBondContact O-N 3.41Å; E768-S771 VanDerWaalsContact O-N 3.16Å; R769-S771 VanDerWaalsContact C-N 3.31Å; S771-R775 WeakPolarHBondContact O-CG 3.43Å; S771-R775 VanDerWaalsContact O-CZ 3.31Å; S771-R775 PolarHBondContact O-N 2.69Å; S771-R775 VanDerWaalsContact O-N 3.14Å; S771-R775 PolarHBondContact O-NH1 3.06Å; S771-R775 PolarHBondContact OG-NH1 2.89Å |
| 772 | D | 88.3 | Confident | 88.3 | Confident | 71 Ų | 71 | 99.6 Ų | 99.6 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 169.4 | -81.5 | -26.2 | 0 | 0 | 0 | 112 | E768 R769 Q774 R775 E776 | E768-D772 PolarHBondContact O-N 2.97Å; R769-D772 WeakPolarHBondContact O-CB 3.39Å; R769-D772 PolarHBondContact O-N 3.18Å; D772-Q774 VanDerWaalsContact C-N 3.33Å; D772-Q774 PolarHBondContact O-N 3.03Å; D772-R775 WeakPolarHBondContact O-CB 3.49Å; D772-R775 PolarHBondContact O-N 3.23Å; D772-R775 VanDerWaalsContact O-N 3.13Å; D772-R775 IonicContact OD1-CZ 3.91Å; D772-R775 IonicContact OD1-NE 3.14Å; D772-R775 IonicContact OD1-NH2 3.05Å; D772-R775 PolarHBondContact OD1-NH2 3.07Å; D772-E776 WeakPolarHBondContact O-CB 3.32Å; D772-E776 PolarHBondContact O-N 3.05Å |
| 773 | L | 90.4 | Very high | 88.3 | Confident | 65 Ų | 65 | 100.9 Ų | 100.9 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -35.2 | -179.6 | -72.5 | 168.5 | 0 | 0 | 0 | 112.3 | R769 N770 E776 L777 | R769-L773 HydrophobicContact CG-CD1 4.24Å; R769-L773 WeakPolarHBondContact O-CG 3.37Å; R769-L773 PolarHBondContact O-N 3.44Å; N770-L773 PolarHBondContact O-N 3.47Å; L773-E776 PolarHBondContact O-N 3.02Å; L773-L777 WeakPolarHBondContact O-CB 3.49Å; L773-L777 VanDerWaalsContact O-CG 3.28Å; L773-L777 WeakPolarHBondContact O-CG 3.41Å; L773-L777 PolarHBondContact O-N 3.45Å |
| 774 | Q | 87.1 | Confident | 88.1 | Confident | 137 Ų | 137 | 97.8 Ų | 97.8 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 171.5 | -76.7 | 178.1 | -15.3 | 0 | 0 | 112.2 | N770 D772 E778 | N770-Q774 WeakPolarHBondContact O-CB 3.45Å; N770-Q774 WeakPolarHBondContact O-CG 3.4Å; N770-Q774 PolarHBondContact O-N 3.12Å; D772-Q774 VanDerWaalsContact C-N 3.33Å; D772-Q774 PolarHBondContact O-N 3.03Å; Q774-E778 WeakPolarHBondContact O-CB 3.49Å; Q774-E778 PolarHBondContact O-N 2.93Å |
| 775 | R | 88.5 | Confident | 87.7 | Confident | 127 Ų | 127 | 98.6 Ų | 98.6 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 172.4 | -75.9 | -175.2 | -73.5 | -83.9 | 4.7 | 112.1 | S771 D772 T779 | S771-R775 WeakPolarHBondContact O-CG 3.43Å; S771-R775 VanDerWaalsContact O-CZ 3.31Å; S771-R775 PolarHBondContact O-N 2.69Å; S771-R775 VanDerWaalsContact O-N 3.14Å; S771-R775 PolarHBondContact O-NH1 3.06Å; S771-R775 PolarHBondContact OG-NH1 2.89Å; D772-R775 WeakPolarHBondContact O-CB 3.49Å; D772-R775 PolarHBondContact O-N 3.23Å; D772-R775 VanDerWaalsContact O-N 3.13Å; D772-R775 IonicContact OD1-CZ 3.91Å; D772-R775 IonicContact OD1-NE 3.14Å; D772-R775 IonicContact OD1-NH2 3.05Å; D772-R775 PolarHBondContact OD1-NH2 3.07Å; R775-T779 WeakPolarHBondContact O-CB 3.4Å; R775-T779 PolarHBondContact O-N 2.98Å; R775-T779 PolarHBondContact O-OG1 3.37Å |
| 776 | E | 88.2 | Confident | 87.4 | Confident | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.1 | -48.6 | 176.8 | -171.3 | 169.8 | -171.5 | 0 | 0 | 110.7 | D772 L773 T779 T780 | D772-E776 WeakPolarHBondContact O-CB 3.32Å; D772-E776 PolarHBondContact O-N 3.05Å; L773-E776 PolarHBondContact O-N 3.02Å; E776-T779 WeakPolarHBondContact O-CB 3.49Å; E776-T779 PolarHBondContact O-N 2.95Å; E776-T780 WeakPolarHBondContact O-CG2 3.44Å; E776-T780 PolarHBondContact O-N 3.09Å |
| 777 | L | 87.7 | Confident | 86.9 | Confident | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.1 | -49.1 | 176.4 | -76.7 | 169.4 | 0 | 0 | 0 | 112.2 | L773 T779 T780 R781 | L773-L777 WeakPolarHBondContact O-CB 3.49Å; L773-L777 VanDerWaalsContact O-CG 3.28Å; L773-L777 WeakPolarHBondContact O-CG 3.41Å; L773-L777 PolarHBondContact O-N 3.45Å; L777-T779 VanDerWaalsContact C-N 3.29Å; L777-T779 PolarHBondContact O-N 3.15Å; L777-T780 CarbonylContact O-C 3.59Å; L777-T780 PolarHBondContact O-N 2.83Å; L777-T780 VanDerWaalsContact O-N 3.09Å; L777-T780 PolarHBondContact O-OG1 2.98Å; L777-R781 PolarHBondContact O-N 3.21Å |
| 778 | E | 89.4 | Confident | 86.4 | Confident | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 177.6 | -173.1 | 60.6 | -165.9 | 0 | 0 | 111.6 | Q774 R781 I782 | Q774-E778 WeakPolarHBondContact O-CB 3.49Å; Q774-E778 PolarHBondContact O-N 2.93Å; E778-R781 WeakPolarHBondContact O-CB 3.49Å; E778-R781 PolarHBondContact O-N 3Å; E778-R781 WeakPolarHBondContact OE2-CD 3.37Å; E778-I782 HydrophobicContact CG-CD1 4.2Å; E778-I782 VanDerWaalsContact O-CG1 3.3Å; E778-I782 WeakPolarHBondContact O-CG1 3.35Å; E778-I782 PolarHBondContact O-N 2.96Å |
| 779 | T | 89.1 | Confident | 85.8 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 172 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | R775 E776 L777 R781 L783 | R775-T779 WeakPolarHBondContact O-CB 3.4Å; R775-T779 PolarHBondContact O-N 2.98Å; R775-T779 PolarHBondContact O-OG1 3.37Å; E776-T779 WeakPolarHBondContact O-CB 3.49Å; E776-T779 PolarHBondContact O-N 2.95Å; L777-T779 VanDerWaalsContact C-N 3.29Å; L777-T779 PolarHBondContact O-N 3.15Å; T779-R781 VanDerWaalsContact C-N 3.35Å; T779-L783 HydrophobicContact CG2-CD1 4.29Å; T779-L783 VanDerWaalsContact O-CG 3.3Å; T779-L783 WeakPolarHBondContact O-CG 3.46Å; T779-L783 PolarHBondContact O-N 3.37Å |
| 780 | T | 88.8 | Confident | 84.6 | Confident | 68 Ų | 68 | 98.1 Ų | 98.1 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -35 | 174.6 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | E776 L777 L783 V784 | E776-T780 WeakPolarHBondContact O-CG2 3.44Å; E776-T780 PolarHBondContact O-N 3.09Å; L777-T780 CarbonylContact O-C 3.59Å; L777-T780 PolarHBondContact O-N 2.83Å; L777-T780 VanDerWaalsContact O-N 3.09Å; L777-T780 PolarHBondContact O-OG1 2.98Å; T780-L783 PolarHBondContact O-N 3.34Å; T780-V784 WeakPolarHBondContact O-CB 3.45Å; T780-V784 VanDerWaalsContact O-CG2 3.31Å; T780-V784 WeakPolarHBondContact O-CG2 3.31Å; T780-V784 PolarHBondContact O-N 2.87Å |
| 781 | R | 86.7 | Confident | 83.1 | Confident | 160 Ų | 160 | 99 Ų | 99 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -50.9 | 175.2 | -166.2 | -178.4 | -159.7 | 148.6 | 8.7 | 111.2 | L777 E778 T779 L783 V784 D785 | L777-R781 PolarHBondContact O-N 3.21Å; E778-R781 WeakPolarHBondContact O-CB 3.49Å; E778-R781 PolarHBondContact O-N 3Å; E778-R781 WeakPolarHBondContact OE2-CD 3.37Å; T779-R781 VanDerWaalsContact C-N 3.35Å; R781-L783 VanDerWaalsContact C-N 3.27Å; R781-L783 PolarHBondContact O-N 3.19Å; R781-V784 PolarHBondContact O-N 2.86Å; R781-V784 VanDerWaalsContact O-N 3.1Å; R781-D785 PolarHBondContact O-N 2.89Å |
| 782 | I | 86.1 | Confident | 81.4 | Confident | 95 Ų | 95 | 103.5 Ų | 103.5 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.1 | -39.2 | 175.3 | -67.6 | 164.3 | 0 | 0 | 0 | 111.3 | E778 S786 | E778-I782 HydrophobicContact CG-CD1 4.2Å; E778-I782 VanDerWaalsContact O-CG1 3.3Å; E778-I782 WeakPolarHBondContact O-CG1 3.35Å; E778-I782 PolarHBondContact O-N 2.96Å; I782-S786 VanDerWaalsContact O-CB 3.23Å; I782-S786 WeakPolarHBondContact O-CB 3.39Å; I782-S786 PolarHBondContact O-N 3.13Å; I782-S786 PolarHBondContact O-OG 3.43Å |
| 783 | L | 87 | Confident | 79.3 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 175.5 | -72.6 | 169.7 | 0 | 0 | 0 | 112.7 | T779 T780 R781 S786 L787 | T779-L783 HydrophobicContact CG2-CD1 4.29Å; T779-L783 VanDerWaalsContact O-CG 3.3Å; T779-L783 WeakPolarHBondContact O-CG 3.46Å; T779-L783 PolarHBondContact O-N 3.37Å; T780-L783 PolarHBondContact O-N 3.34Å; R781-L783 VanDerWaalsContact C-N 3.27Å; R781-L783 PolarHBondContact O-N 3.19Å; L783-S786 PolarHBondContact O-N 2.71Å; L783-L787 WeakPolarHBondContact O-CB 3.36Å; L783-L787 WeakPolarHBondContact O-CG 3.33Å; L783-L787 PolarHBondContact O-N 2.91Å |
| 784 | V | 84.4 | Confident | 76.9 | Confident | 88 Ų | 88 | 110.1 Ų | 110.1 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -44.6 | 176.1 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | T780 R781 S786 L787 K788 | T780-V784 WeakPolarHBondContact O-CB 3.45Å; T780-V784 VanDerWaalsContact O-CG2 3.31Å; T780-V784 WeakPolarHBondContact O-CG2 3.31Å; T780-V784 PolarHBondContact O-N 2.87Å; R781-V784 PolarHBondContact O-N 2.86Å; R781-V784 VanDerWaalsContact O-N 3.1Å; V784-S786 VanDerWaalsContact C-N 3.33Å; V784-S786 PolarHBondContact O-N 3.3Å; V784-L787 CarbonylContact O-C 3.6Å; V784-L787 WeakPolarHBondContact O-CB 3.28Å; V784-L787 PolarHBondContact O-N 3.45Å; V784-K788 WeakPolarHBondContact O-CB 3.35Å; V784-K788 PolarHBondContact O-N 3.33Å |
| 785 | D | 82.8 | Confident | 74.3 | Confident | 78 Ų | 78 | 109 Ų | 109 | 42% | 0.417 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.9 | -37.5 | 176.2 | -72.5 | -36.1 | 0 | 0 | 0 | 111.4 | R781 K788 Q789 | R781-D785 PolarHBondContact O-N 2.89Å; D785-K788 PolarHBondContact O-N 2.92Å; D785-Q789 WeakPolarHBondContact O-CG 3.38Å; D785-Q789 PolarHBondContact O-N 3.05Å |
| 786 | S | 81.3 | Confident | 71.9 | Confident | 53 Ų | 53 | 109.1 Ų | 109.1 | 37% | 0.371 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.3 | -43.5 | 170.7 | -62 | 0 | 0 | 0 | 0 | 111.8 | I782 L783 V784 K788 N790 | I782-S786 VanDerWaalsContact O-CB 3.23Å; I782-S786 WeakPolarHBondContact O-CB 3.39Å; I782-S786 PolarHBondContact O-N 3.13Å; I782-S786 PolarHBondContact O-OG 3.43Å; L783-S786 PolarHBondContact O-N 2.71Å; V784-S786 VanDerWaalsContact C-N 3.33Å; V784-S786 PolarHBondContact O-N 3.3Å; S786-K788 VanDerWaalsContact C-N 3.33Å; S786-N790 WeakPolarHBondContact O-CB 3.47Å; S786-N790 PolarHBondContact O-N 3.4Å; S786-N790 PolarHBondContact O-ND2 3.12Å |
| 787 | L | 79.8 | Confident | 69.4 | Low | 118 Ų | 118 | 110 Ų | 110 | 62% | 0.618 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.3 | -39 | 174.6 | -81 | 163 | 0 | 0 | 0 | 111.5 | L783 V784 N790 S791 | L783-L787 WeakPolarHBondContact O-CB 3.36Å; L783-L787 WeakPolarHBondContact O-CG 3.33Å; L783-L787 PolarHBondContact O-N 2.91Å; V784-L787 CarbonylContact O-C 3.6Å; V784-L787 WeakPolarHBondContact O-CB 3.28Å; V784-L787 PolarHBondContact O-N 3.45Å; L787-N790 PolarHBondContact O-N 3.39Å; L787-S791 WeakPolarHBondContact O-CB 3.33Å; L787-S791 PolarHBondContact O-N 3.2Å |
| 788 | K | 77.1 | Confident | 67 | Low | 120 Ų | 120 | 114.1 Ų | 114.1 | 52% | 0.522 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.8 | -49.8 | 178.6 | -168.3 | 177.5 | 177.3 | -174.7 | 0 | 111.9 | V784 D785 S786 N790 S791 E792 | V784-K788 WeakPolarHBondContact O-CB 3.35Å; V784-K788 PolarHBondContact O-N 3.33Å; D785-K788 PolarHBondContact O-N 2.92Å; S786-K788 VanDerWaalsContact C-N 3.33Å; K788-N790 VanDerWaalsContact C-N 3.27Å; K788-N790 PolarHBondContact O-N 3.48Å; K788-S791 WeakPolarHBondContact CA-OG 3.45Å; K788-S791 WeakPolarHBondContact O-CA 3.49Å; K788-S791 PolarHBondContact O-N 3.32Å; K788-S791 PolarHBondContact O-OG 3.39Å; K788-E792 PolarHBondContact O-N 2.9Å |
| 789 | Q | 73.4 | Confident | 64.5 | Low | 136 Ų | 136 | 114.4 Ų | 114.4 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.7 | -35.3 | 174.7 | -69.2 | -177.2 | 13.3 | 0 | 0 | 112.6 | D785 S793 | D785-Q789 WeakPolarHBondContact O-CG 3.38Å; D785-Q789 PolarHBondContact O-N 3.05Å; Q789-S793 PolarHBondContact O-OG 3.32Å |
| 790 | N | 65.7 | Low | 61.8 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.5 | -32.7 | 172.2 | -76.9 | -56.5 | 0 | 0 | 0 | 112.6 | S786 L787 K788 S793 | S786-N790 WeakPolarHBondContact O-CB 3.47Å; S786-N790 PolarHBondContact O-N 3.4Å; S786-N790 PolarHBondContact O-ND2 3.12Å; L787-N790 PolarHBondContact O-N 3.39Å; K788-N790 VanDerWaalsContact C-N 3.27Å; K788-N790 PolarHBondContact O-N 3.48Å; N790-S793 WeakPolarHBondContact O-CB 3.43Å; N790-S793 PolarHBondContact O-N 3.36Å |
| 791 | S | 58.4 | Low | 59.4 | Low | 86 Ų | 86 | 122.4 Ų | 122.4 | 60% | 0.601 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.5 | -30.1 | 179.2 | 75.3 | 0 | 0 | 0 | 0 | 113.9 | L787 K788 S793 | L787-S791 WeakPolarHBondContact O-CB 3.33Å; L787-S791 PolarHBondContact O-N 3.2Å; K788-S791 WeakPolarHBondContact CA-OG 3.45Å; K788-S791 WeakPolarHBondContact O-CA 3.49Å; K788-S791 PolarHBondContact O-N 3.32Å; K788-S791 PolarHBondContact O-OG 3.39Å; S791-S793 PolarHBondContact O-N 3.03Å |
| 792 | E | 49.1 | Very low | 57.1 | Low | 143 Ų | 143 | 121 Ų | 121 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -8.3 | 171.2 | -68.8 | 168.5 | -170.9 | 0 | 0 | 111.7 | K788 | K788-E792 PolarHBondContact O-N 2.9Š|
| 793 | S | 44.4 | Very low | 54.6 | Low | 73 Ų | 73 | 127 Ų | 127 | 51% | 0.51 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -103.7 | 71.4 | -174.2 | -65 | 0 | 0 | 0 | 0 | 114.1 | Q789 N790 S791 | Q789-S793 PolarHBondContact O-OG 3.32Å; N790-S793 WeakPolarHBondContact O-CB 3.43Å; N790-S793 PolarHBondContact O-N 3.36Å; S791-S793 PolarHBondContact O-N 3.03Å |
| 794 | K | 40.9 | Very low | 52.2 | Low | 201 Ų | 201 | 132.3 Ų | 132.3 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | trans | 103.4 | 132.1 | 169.4 | -56.3 | 152 | -169.7 | 160.1 | 0 | 115.7 | ||||
| 795 | S | 31.2 | Very low | 49.8 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | trans | -76.5 | 141.5 | 152.6 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 796 | V | 38.9 | Very low | 47.4 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 79% | 0.788 | 70% | 0.701 | S | S | * | * | trans | -170.4 | 120.7 | 138.9 | 141.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 797 | E | 35.5 | Very low | 45.3 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | trans | 17.1 | 154.8 | 150.2 | -47.1 | -172.9 | 140.2 | 0 | 0 | 123.8 | ||||
| 798 | Y | 37.9 | Very low | 43.1 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | trans | 71.7 | 141.4 | 167.7 | -48.6 | -76.7 | 0 | 0 | 0 | 117.5 | ||||
| 799 | S | 35.9 | Very low | 40.9 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | cis | -158.6 | 159 | -26.1 | -169.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 800 | N | 33.1 | Very low | 39 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | -61.4 | 138.3 | 174.3 | -68.1 | -70.4 | 0 | 0 | 0 | 111.4 | ||||
| 801 | H | 39 | Very low | 37.3 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | -179.6 | 133.8 | 122.7 | -91.8 | -28.8 | 0 | 0 | 0 | 116.8 | |||||
| 802 | I | 36.9 | Very low | 35.9 | Very low | 131 Ų | 131 | 143 Ų | 143 | 67% | 0.672 | 76% | 0.757 | S | S | * | * | trans | 81 | 100.7 | 135.8 | -63.4 | 168.7 | 0 | 0 | 0 | 120.4 | ||||
| 803 | R | 34.8 | Very low | 35.1 | Very low | 221 Ų | 221 | 142.5 Ų | 142.5 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | 53.3 | 119.3 | 128 | -55.5 | 179.2 | -173.2 | -178.3 | 1.4 | 121.9 | |||||
| 804 | K | 35.4 | Very low | 34.6 | Very low | 212 Ų | 212 | 147 Ų | 147 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | 38.5 | 99.9 | 125.7 | -61.3 | -172.9 | 176.4 | -171.5 | 0 | 118.8 | |||||
| 805 | S | 35.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -155.1 | 155.3 | 145.8 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 806 | A | 31 | Very low | 34.3 | Very low | 86 Ų | 86 | 145 Ų | 145 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -84.7 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 807 | P | 37 | Very low | 34 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -78.6 | 150 | -159.9 | 32.4 | -36.1 | 0 | 0 | 0 | 114.3 | ||||
| 808 | I | 34.8 | Very low | 34 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -132.6 | 125.8 | 169.4 | -65.4 | -179.3 | 0 | 0 | 0 | 109.1 | ||||
| 809 | I | 30.2 | Very low | 33.9 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -73.5 | 122 | 167.2 | -61.2 | 165 | 0 | 0 | 0 | 107.9 | ||||
| 810 | L | 33 | Very low | 34 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -157 | 127.5 | 161.8 | -113.6 | 167.2 | 0 | 0 | 0 | 111.8 | ||||
| 811 | S | 30.1 | Very low | 34.2 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | trans | -78.3 | 153.1 | 165.7 | 46.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 812 | N | 30.3 | Very low | 34 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | 154.3 | 136.2 | 127.9 | -81.6 | -42.1 | 0 | 0 | 0 | 114.5 | |||||
| 813 | L | 31.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 51.7 | 142.4 | 146.8 | -74.6 | 80.2 | 0 | 0 | 0 | 119.2 | ||||
| 814 | H | 32.9 | Very low | 34.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | cis | -159.9 | 155.2 | 48.8 | -125.5 | 104.2 | 0 | 0 | 0 | 112.6 | ||||
| 815 | L | 31.5 | Very low | 34.7 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -89.1 | 151.6 | 163.7 | -74.2 | 75.8 | 0 | 0 | 0 | 110.7 | ||||
| 816 | P | 34.9 | Very low | 34.9 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | trans | -81 | 126.6 | 151.4 | 32.7 | -28.7 | 0 | 0 | 0 | 109.8 | ||||
| 817 | S | 33.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -112 | 151 | 179 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 818 | S | 35.2 | Very low | 35 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -149.6 | 92.7 | 169.6 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 819 | M | 34.9 | Very low | 35 | Very low | 163 Ų | 163 | 131 Ų | 131 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | trans | -74.7 | 162 | 162.3 | -88.2 | -93.3 | 78 | 0 | 0 | 109.6 | ||||
| 820 | P | 39.6 | Very low | 35.2 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | -153.9 | 170.3 | 52.8 | 43 | -21.7 | 0 | 0 | 0 | 120.6 | |||||
| 821 | N | 36 | Very low | 35.1 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | 57.5 | 120.4 | 144.5 | -69.7 | -2.2 | 0 | 0 | 0 | 123.3 | ||||
| 822 | G | 35.9 | Very low | 35.4 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | 104 | 138.7 | 131.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 823 | N | 38.4 | Very low | 35.4 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | cis | -164.1 | 170.7 | -13.8 | -154.1 | 5.2 | 0 | 0 | 0 | 109.3 | ||||
| 824 | N | 40.1 | Very low | 35.5 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | trans | 72.6 | 104 | 156.1 | -60.4 | -15.4 | 0 | 0 | 0 | 121.4 | ||||
| 825 | N | 41.8 | Very low | 35.4 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | 100.2 | 111.6 | 119 | -63.2 | -3.9 | 0 | 0 | 0 | 122.2 | |||||
| 826 | N | 39.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | 70 | 131.4 | 136.6 | -53 | -11.1 | 0 | 0 | 0 | 118.8 | ||||
| 827 | G | 35.9 | Very low | 35.4 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | cis | -166.3 | 158.4 | 1.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 828 | I | 34.6 | Very low | 35.3 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | 70.9 | 117.1 | 79.9 | -64.5 | 171.3 | 0 | 0 | 0 | 109.6 | |||||
| 829 | Y | 34.4 | Very low | 35.2 | Very low | 189 Ų | 189 | 136 Ų | 136 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | cis | -158.1 | 154.9 | 27.1 | -117.5 | -26.2 | 0 | 0 | 0 | 114.1 | ||||
| 830 | N | 33.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | 41.3 | 153.8 | 124.4 | -78 | 9.3 | 0 | 0 | 0 | 123 | |||||
| 831 | S | 32.1 | Very low | 34.7 | Very low | 79 Ų | 79 | 138 Ų | 138 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | cis | -176.1 | 169.5 | -0.8 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 832 | N | 35.4 | Very low | 34.3 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 75.2 | 148 | 163 | -49.2 | -35.6 | 0 | 0 | 0 | 115.4 | ||||
| 833 | G | 30.7 | Very low | 34 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | cis | 110.3 | 130 | 16.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 834 | L | 34.9 | Very low | 33.4 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | cis | -158 | 173 | 45.3 | -87.3 | 159.5 | 0 | 0 | 0 | 113.6 | ||||
| 835 | Y | 29.9 | Very low | 32.9 | Very low | 218 Ų | 218 | 145.1 Ų | 145.1 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -58.5 | 142.5 | 169.4 | -80 | -128.2 | 0 | 0 | 0 | 113.6 | ||||
| 836 | S | 33.8 | Very low | 32.5 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | -175.9 | 124.9 | 119.2 | -87.4 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 837 | K | 33.6 | Very low | 32.2 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | 51.8 | 89.4 | 119.6 | -139.3 | 170.5 | -170.1 | 174.4 | 0 | 117.2 | |||||
| 838 | G | 29.6 | Very low | 32 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -84.8 | -167.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 839 | Y | 33.6 | Very low | 32 | Very low | 236 Ų | 236 | 147.9 Ų | 147.9 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -147.6 | 159.1 | 167.9 | -110.1 | -85.1 | 0 | 0 | 0 | 110.1 | ||||
| 840 | K | 32.4 | Very low | 32.1 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | -75.7 | 126.8 | 177.2 | -64 | 177.2 | 178.8 | 177.9 | 0 | 111.2 | ||||
| 841 | V | 31.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -139.8 | 136.1 | 154.7 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 842 | S | 28.2 | Very low | 32.6 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -88.3 | 125.1 | 174.8 | -59 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 843 | Q | 28.7 | Very low | 32.5 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -150.6 | 141.5 | 157.8 | -142.9 | 159.3 | 0.3 | 0 | 0 | 111 | ||||
| 844 | R | 26.9 | Very low | 32.7 | Very low | 236 Ų | 236 | 154.5 Ų | 154.5 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -79.1 | 134.3 | 169.3 | -65.2 | 174.4 | 177.2 | 166.6 | -3.1 | 107.8 | ||||
| 845 | C | 29.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 153 Ų | 153 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -110 | 99.5 | 161 | -65.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 846 | L | 34 | Very low | 33 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 142.4 | 149.4 | -67.8 | 166.8 | 0 | 0 | 0 | 107.2 | ||||
| 847 | S | 32.1 | Very low | 33.1 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 177.5 | 152.6 | 148.4 | 25 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 848 | D | 31.5 | Very low | 33.4 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | cis | -168.2 | 153.7 | -31.5 | -98 | -31.4 | 0 | 0 | 0 | 107.8 | ||||
| 849 | S | 35.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -163 | 74.2 | 147.7 | -163.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 850 | L | 37.2 | Very low | 34 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | trans | -76.6 | 145.8 | 171.6 | 172.2 | 66 | 0 | 0 | 0 | 110.1 | D852 | L850-D852 WeakPolarHBondContact CD2-OD1 3.43Å; L850-D852 WeakPolarHBondContact CG-OD1 3.42Å | ||
| 851 | E | 38.6 | Very low | 34.3 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | -147.3 | 87.3 | 160.7 | -108.2 | 164.8 | -177.5 | 0 | 0 | 108.9 | ||||
| 852 | D | 37.1 | Very low | 34.6 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 50% | 0.503 | 74% | 0.744 | S | S | . | * | trans | 3.2 | 154.8 | 140.3 | -47.8 | -33.5 | 0 | 0 | 0 | 118.5 | L850 | L850-D852 WeakPolarHBondContact CD2-OD1 3.43Å; L850-D852 WeakPolarHBondContact CG-OD1 3.42Å | ||
| 853 | W | 34.5 | Very low | 34.9 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | cis | -158.3 | 142.7 | 47.2 | -80.7 | 83.4 | 0 | 0 | 0 | 115.5 | ||||
| 854 | E | 33.9 | Very low | 35.1 | Very low | 151 Ų | 151 | 140 Ų | 140 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 64.8 | 146.4 | 141.6 | -84.8 | 172.9 | 171.4 | 0 | 0 | 126.6 | ||||
| 855 | D | 36.4 | Very low | 35.2 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | 69.9 | 126.4 | 150.9 | -84.6 | -20.4 | 0 | 0 | 0 | 122.5 | ||||
| 856 | S | 35.2 | Very low | 35.2 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 56% | 0.559 | 72% | 0.723 | S | S | * | * | cis | -155.2 | 164.3 | -10.9 | -43 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 857 | D | 35.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | 52.3 | 123 | 147.5 | -59.7 | -14.6 | 0 | 0 | 0 | 120.3 | ||||
| 858 | H | 40.6 | Very low | 35.6 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | cis | -154.7 | 142.3 | 24.5 | -97.8 | -54.5 | 0 | 0 | 0 | 115.3 | ||||
| 859 | D | 37.2 | Very low | 35.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | 60.8 | 96.7 | 135.2 | -58.4 | 14.7 | 0 | 0 | 0 | 121.9 | ||||
| 860 | H | 38.1 | Very low | 35.3 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | -72.6 | 156.6 | 154.8 | -84.1 | -119.5 | 0 | 0 | 0 | 112.9 | D862 | H860-D862 IonicContact ND1-OD2 3.99Å; H860-D862 PolarHBondContact ND1-OD2 2.95Å | ||
| 861 | V | 38.3 | Very low | 34.9 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | -133.4 | 103.4 | 140.6 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 862 | D | 37.8 | Very low | 34.4 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | trans | -84.4 | 141.8 | 166.5 | -96.4 | -60.6 | 0 | 0 | 0 | 111.5 | H860 | H860-D862 IonicContact ND1-OD2 3.99Å; H860-D862 PolarHBondContact ND1-OD2 2.95Å | ||
| 863 | V | 35.8 | Very low | 34 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | trans | -134.8 | 101.6 | 155.8 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 864 | N | 33 | Very low | 33.7 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 54% | 0.535 | 72% | 0.715 | S | S | . | * | trans | -57.5 | 157.8 | 166.4 | -72.4 | -93.7 | 0 | 0 | 0 | 110.7 | ||||
| 865 | F | 28.8 | Very low | 33.6 | Very low | 191 Ų | 191 | 132.2 Ų | 132.2 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | -162 | 118.1 | 60.4 | -101.1 | -95.5 | 0 | 0 | 0 | 114.1 | |||||
| 866 | S | 29.6 | Very low | 33.4 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | 50.1 | 154.1 | 115.4 | -59.9 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 867 | P | 43.2 | Very low | 33.5 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -119 | 163.9 | -163.2 | 41.6 | -28.2 | 0 | 0 | 0 | 116.1 | ||||
| 868 | S | 29.4 | Very low | 33.3 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -162.4 | 153.5 | 163.8 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 869 | H | 31.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 65% | 0.648 | 72% | 0.715 | S | S | * | * | cis | -160.4 | 152.2 | -9.8 | -114.9 | -16.4 | 0 | 0 | 0 | 110.8 | ||||
| 870 | Q | 29.7 | Very low | 32.7 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 56% | 0.556 | 72% | 0.719 | S | S | * | * | trans | 51.4 | 115.3 | 141.1 | -64.8 | -178.2 | -5.8 | 0 | 0 | 122.3 | ||||
| 871 | I | 29.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 134 Ų | 134 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | 71.1 | 144.6 | 121.3 | -62.6 | 165.3 | 0 | 0 | 0 | 119 | |||||
| 872 | R | 28.2 | Very low | 32.3 | Very low | 229 Ų | 229 | 134.6 Ų | 134.6 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | 72.7 | 122.4 | 177.5 | -76.8 | 161.4 | 172.7 | -170.1 | -5.1 | 113.6 | ||||
| 873 | S | 27.7 | Very low | 32.2 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | 76.2 | 116.7 | 64.6 | -178.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 874 | S | 28.8 | Very low | 32.1 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | trans | 69.6 | 155.6 | 160.8 | 62.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 875 | V | 30.8 | Very low | 32.1 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | trans | 86.9 | 95.9 | 166.2 | -168.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 876 | Y | 32 | Very low | 32.4 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | -63.6 | 151.8 | 149 | -91 | -95.4 | 0 | 0 | 0 | 110.4 | ||||
| 877 | P | 37.7 | Very low | 32.6 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | -157 | 151.5 | 107 | 37.8 | -18.8 | 0 | 0 | 0 | 119.3 | |||||
| 878 | H | 31.2 | Very low | 32.2 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | trans | 47.3 | 134.1 | 144 | -79.2 | -65.1 | 0 | 0 | 0 | 126.8 | ||||
| 879 | E | 31.6 | Very low | 32.4 | Very low | 89 Ų | 89 | 148.6 Ų | 148.6 | 42% | 0.416 | 73% | 0.73 | S | S | . | * | trans | -24.8 | 150.8 | 150 | -52.6 | 169.5 | -113.2 | 0 | 0 | 120.8 | K881 | E879-K881 IonicContact OE2-NZ 3.38Å; E879-K881 PolarHBondContact OE2-NZ 3.42Å | ||
| 880 | V | 34.2 | Very low | 32.5 | Very low | 138 Ų | 138 | 151.4 Ų | 151.4 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -141.5 | 140.1 | 133.5 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 881 | K | 32.6 | Very low | 32.8 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | -93.5 | 154.7 | -173.8 | -59.6 | 170.8 | 168.6 | 73.6 | 0 | 114.1 | E879 | E879-K881 IonicContact OE2-NZ 3.38Å; E879-K881 PolarHBondContact OE2-NZ 3.42Å | ||
| 882 | N | 35.3 | Very low | 33.1 | Very low | 153 Ų | 153 | 154.3 Ų | 154.3 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 168.1 | 134.1 | 142 | -85.2 | -23.8 | 0 | 0 | 0 | 109.2 | ||||
| 883 | K | 34.9 | Very low | 33.5 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | cis | 98.1 | 139 | 31.1 | -84.6 | -162.6 | 170.6 | -174.3 | 0 | 114.9 | ||||
| 884 | L | 34.2 | Very low | 33.8 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | 82 | 148 | -177.7 | -80.7 | 70.9 | 0 | 0 | 0 | 116.1 | ||||
| 885 | N | 32.6 | Very low | 34.1 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -171.5 | -177.5 | -30 | -122.8 | 5.7 | 0 | 0 | 0 | 109.6 | ||||
| 886 | H | 36.2 | Very low | 34.4 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | trans | 78.4 | 114.6 | 179.2 | -49.5 | -75 | 0 | 0 | 0 | 113.7 | ||||
| 887 | H | 32.6 | Very low | 34.5 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 75% | 0.75 | 73% | 0.729 | S | S | * | * | cis | 68.9 | 106.6 | 18.4 | -167.8 | 97.2 | 0 | 0 | 0 | 115.8 | ||||
| 888 | Y | 36 | Very low | 34.4 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | -160.5 | 147.3 | 134.3 | -106.9 | -63.7 | 0 | 0 | 0 | 114.3 | ||||
| 889 | H | 34 | Very low | 34.7 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 79% | 0.787 | 72% | 0.72 | S | S | * | * | trans | 64.9 | 134.3 | 162.3 | -102.3 | -70.8 | 0 | 0 | 0 | 123.6 | ||||
| 890 | R | 32.1 | Very low | 35 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 75% | 0.751 | 73% | 0.732 | S | S | * | * | trans | -141.4 | 176.4 | -173.3 | -171.7 | -162 | 170 | -174.8 | 7.9 | 108.4 | ||||
| 891 | D | 37.7 | Very low | 35.2 | Very low | 101 Ų | 101 | 150 Ų | 150 | 54% | 0.54 | 73% | 0.726 | S | S | . | * | trans | 80.5 | 145.6 | 161.8 | -60.4 | -51.3 | 0 | 0 | 0 | 114.1 | ||||
| 892 | Y | 35.2 | Very low | 35.2 | Very low | 218 Ų | 218 | 149 Ų | 149 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | cis | -101.3 | 160.6 | 24.5 | -69.8 | -93.8 | 0 | 0 | 0 | 113.4 | ||||
| 893 | S | 35.9 | Very low | 35.3 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | cis | 81.8 | 141.9 | 45.8 | 123.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 894 | C | 33.2 | Very low | 35.5 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 75% | 0.75 | 72% | 0.715 | S | S | * | * | cis | -171.4 | -171.6 | -10.9 | -116.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 895 | I | 37.1 | Very low | 35.6 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 84% | 0.841 | 72% | 0.718 | S | S | * | * | trans | 86.8 | 126.8 | 166.6 | -54.8 | 171.2 | 0 | 0 | 0 | 115.2 | ||||
| 896 | V | 36.5 | Very low | 35.6 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | cis | -148.3 | 159 | -14.2 | 117.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 897 | N | 33.1 | Very low | 35.8 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | trans | -43.7 | 175.5 | 171.9 | -32.2 | -20.1 | 0 | 0 | 0 | 115.5 | ||||
| 898 | D | 36.7 | Very low | 35.9 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 50% | 0.503 | 73% | 0.732 | S | S | . | * | cis | -167 | 145.8 | 43.1 | -128.5 | -17.2 | 0 | 0 | 0 | 116.9 | ||||
| 899 | R | 37.1 | Very low | 35.7 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | 76.1 | 151.5 | 150.3 | -68.2 | 158.7 | -146.4 | -156.3 | 12.4 | 123.4 | ||||
| 900 | I | 37.6 | Very low | 35.8 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | cis | 169.1 | 166.5 | -38.8 | -99 | 162.9 | 0 | 0 | 0 | 110 | ||||
| 901 | N | 38 | Very low | 35.8 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | 73.8 | 149.8 | 176.4 | -75.1 | 23 | 0 | 0 | 0 | 115.7 | ||||
| 902 | D | 34.1 | Very low | 35.7 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | cis | -164.3 | 162.1 | -7.2 | -94 | -24.8 | 0 | 0 | 0 | 107.3 | ||||
| 903 | E | 36.7 | Very low | 35.8 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | cis | -168.4 | 169.5 | -31.6 | -142.2 | -62.8 | 90.4 | 0 | 0 | 107.8 | ||||
| 904 | S | 38 | Very low | 36 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | trans | 98.7 | 147 | 146.3 | 80.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 905 | C | 37.5 | Very low | 36.5 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 87% | 0.865 | 73% | 0.733 | S | S | * | * | trans | 68.9 | 93.8 | 160.9 | -71.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 906 | K | 32.2 | Very low | 36.7 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | trans | -83.6 | -169.2 | 151.7 | -56.1 | 176.5 | -179 | 174.6 | 0 | 110.5 | ||||
| 907 | P | 39.6 | Very low | 37.1 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | -133.7 | 161.7 | -68.7 | 38.3 | -23.2 | 0 | 0 | 0 | 113.1 | |||||
| 908 | E | 35.1 | Very low | 37.7 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | trans | -161.4 | 160.8 | 143.3 | -126.7 | 155.5 | -154.2 | 0 | 0 | 116.6 | ||||
| 909 | Y | 32.3 | Very low | 38.1 | Very low | 203 Ų | 203 | 146.5 Ų | 146.5 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | -56.4 | 137.8 | -172.5 | -73.5 | -119.4 | 0 | 0 | 0 | 116.7 | ||||
| 910 | N | 35.7 | Very low | 38.7 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | 170.4 | 135.6 | 95.1 | -93 | -54.6 | 0 | 0 | 0 | 115.6 | |||||
| 911 | H | 32.7 | Very low | 39.2 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | trans | 49.7 | 143.9 | 156.8 | -77.9 | -77 | 0 | 0 | 0 | 122.9 | ||||
| 912 | P | 34.6 | Very low | 39.9 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -95.8 | 159 | -174.5 | 38.8 | -35.4 | 0 | 0 | 0 | 113.9 | ||||
| 913 | N | 37.4 | Very low | 40.6 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | trans | -128.9 | 144.2 | 169.2 | -106.9 | -18.9 | 0 | 0 | 0 | 112.8 | E915 | N913-E915 VanDerWaalsContact C-N 3.29Å; N913-E915 PolarHBondContact O-N 2.85Å | ||
| 914 | T | 41.3 | Very low | 41.3 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 44.5 | -155.9 | -34.1 | 0 | 0 | 0 | 0 | 114.5 | R918 | T914-R918 PolarHBondContact O-NE 2.83Å; T914-R918 PolarHBondContact O-NH2 2.7Å |
| 915 | E | 43.8 | Very low | 41.8 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -39.2 | -170.4 | -65.5 | -169.3 | 114.9 | 0 | 0 | 114.5 | N913 S917 R918 Y919 | N913-E915 VanDerWaalsContact C-N 3.29Å; N913-E915 PolarHBondContact O-N 2.85Å; E915-S917 PolarHBondContact O-N 3.48Å; E915-R918 WeakPolarHBondContact O-CA 3.5Å; E915-R918 WeakPolarHBondContact O-CB 3.31Å; E915-R918 PolarHBondContact O-N 3.39Å; E915-Y919 PolarHBondContact O-N 2.98Å |
| 916 | E | 41 | Very low | 42.8 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -58.7 | -36.3 | 179.7 | -65.4 | -166.9 | 123 | 0 | 0 | 112.5 | R918 Y919 V920 | E916-R918 VanDerWaalsContact C-N 3.31Å; E916-R918 PolarHBondContact O-N 2.69Å; E916-Y919 PolarHBondContact O-N 3.33Å; E916-V920 WeakPolarHBondContact O-CB 3.44Å; E916-V920 WeakPolarHBondContact O-CG2 3.4Å; E916-V920 PolarHBondContact O-N 2.92Å |
| 917 | S | 44.9 | Very low | 43.9 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -57.2 | -41.1 | 172.9 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | E915 K921 | E915-S917 PolarHBondContact O-N 3.48Å; S917-K921 PolarHBondContact O-N 3.48Å; S917-K921 VanDerWaalsContact O-N 3.16Å |
| 918 | R | 46.5 | Very low | 44.5 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.4 | -43.1 | 175.2 | -79.9 | -174.6 | -93.2 | -163.3 | -4.9 | 111.3 | T914 E915 E916 V920 K921 C922 | T914-R918 PolarHBondContact O-NE 2.83Å; T914-R918 PolarHBondContact O-NH2 2.7Å; E915-R918 WeakPolarHBondContact O-CA 3.5Å; E915-R918 WeakPolarHBondContact O-CB 3.31Å; E915-R918 PolarHBondContact O-N 3.39Å; E916-R918 VanDerWaalsContact C-N 3.31Å; E916-R918 PolarHBondContact O-N 2.69Å; R918-V920 PolarHBondContact O-N 2.92Å; R918-K921 PolarHBondContact O-N 3.3Å; R918-C922 PolarHBondContact O-N 3.34Å; R918-C922 PolarHBondContact O-SG 3.5Å |
| 919 | Y | 44.3 | Very low | 45.8 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 70% | 0.698 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.3 | -43.7 | 179 | -152.7 | -106.5 | 0 | 0 | 0 | 112 | E915 E916 C922 K923 | E915-Y919 PolarHBondContact O-N 2.98Å; E916-Y919 PolarHBondContact O-N 3.33Å; Y919-C922 PolarHBondContact O-N 3.32Å; Y919-K923 PolarHBondContact O-N 3.08Å |
| 920 | V | 49.6 | Very low | 47.4 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 61% | 0.612 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.9 | -40.5 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | E916 R918 K923 K924 | E916-V920 WeakPolarHBondContact O-CB 3.44Å; E916-V920 WeakPolarHBondContact O-CG2 3.4Å; E916-V920 PolarHBondContact O-N 2.92Å; R918-V920 PolarHBondContact O-N 2.92Å; V920-K923 PolarHBondContact O-N 3.18Å; V920-K924 WeakPolarHBondContact O-CB 3.37Å; V920-K924 PolarHBondContact O-N 3.45Å; V920-K924 VanDerWaalsContact O-N 3.1Å |
| 921 | K | 48.1 | Very low | 48.9 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.4 | -40.8 | 174.2 | -111.3 | 176.8 | 177.8 | 175.6 | 0 | 112.2 | S917 R918 R925 | S917-K921 PolarHBondContact O-N 3.48Å; S917-K921 VanDerWaalsContact O-N 3.16Å; R918-K921 PolarHBondContact O-N 3.3Å; K921-R925 PolarHBondContact O-N 2.9Å |
| 922 | C | 51.8 | Low | 50.3 | Low | 71 Ų | 71 | 119.8 Ų | 119.8 | 48% | 0.48 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.7 | -45.2 | 176.9 | -71 | 0 | 0 | 0 | 0 | 112.3 | R918 Y919 K924 R925 H926 | R918-C922 PolarHBondContact O-N 3.34Å; R918-C922 PolarHBondContact O-SG 3.5Å; Y919-C922 PolarHBondContact O-N 3.32Å; C922-K924 PolarHBondContact O-N 3Å; C922-R925 PolarHBondContact O-N 3.03Å; C922-H926 PolarHBondContact O-N 2.85Å |
| 923 | K | 50 | Low | 52.1 | Low | 145 Ų | 145 | 117.3 Ų | 117.3 | 63% | 0.63 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.7 | -33.7 | 177.9 | -147 | 174.4 | -173.9 | -174.8 | 0 | 111.8 | Y919 V920 H926 S927 | Y919-K923 PolarHBondContact O-N 3.08Å; V920-K923 PolarHBondContact O-N 3.18Å; K923-H926 PolarHBondContact O-N 3.42Å; K923-S927 PolarHBondContact O-N 3.01Å |
| 924 | K | 50.6 | Low | 53.9 | Low | 132 Ų | 132 | 117.4 Ų | 117.4 | 57% | 0.574 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73 | -19.2 | 174 | -162.7 | 174.2 | -177.2 | -176.9 | 0 | 114.6 | V920 C922 | V920-K924 WeakPolarHBondContact O-CB 3.37Å; V920-K924 PolarHBondContact O-N 3.45Å; V920-K924 VanDerWaalsContact O-N 3.1Å; C922-K924 PolarHBondContact O-N 3Å |
| 925 | R | 49.5 | Very low | 55.5 | Low | 192 Ų | 192 | 119 Ų | 119 | 73% | 0.725 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -81.6 | -36.8 | 170.3 | -77.6 | -176.4 | 170.5 | -179.7 | -4.3 | 112.4 | K921 C922 K928 | K921-R925 PolarHBondContact O-N 2.9Å; C922-R925 PolarHBondContact O-N 3.03Å; R925-K928 WeakPolarHBondContact O-CB 3.43Å |
| 926 | H | 57.8 | Low | 57 | Low | 134 Ų | 134 | 118.4 Ų | 118.4 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.8 | -30.7 | -178.7 | -79.9 | -76 | 0 | 0 | 0 | 114.7 | C922 K923 K928 | C922-H926 PolarHBondContact O-N 2.85Å; K923-H926 PolarHBondContact O-N 3.42Å; H926-K928 VanDerWaalsContact C-N 3.34Å |
| 927 | S | 55.5 | Low | 58.9 | Low | 29 Ų | 29 | 114.8 Ų | 114.8 | 20% | 0.203 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 174.7 | 57 | 0 | 0 | 0 | 0 | 112.2 | K923 R930 T931 | K923-S927 PolarHBondContact O-N 3.01Å; S927-R930 PolarHBondContact O-N 2.73Å; S927-T931 PolarHBondContact O-N 3.49Å; S927-T931 VanDerWaalsContact O-N 3.1Å |
| 928 | K | 52.2 | Low | 60.5 | Low | 47 Ų | 47 | 120.1 Ų | 120.1 | 20% | 0.204 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -56.1 | -51.5 | 178.5 | -168.4 | -176.8 | 177.9 | -56.8 | 0 | 112.8 | R925 H926 R930 T931 D932 G1223 Y1224 P1226 | R925-K928 WeakPolarHBondContact O-CB 3.43Å; H926-K928 VanDerWaalsContact C-N 3.34Å; K928-R930 VanDerWaalsContact C-N 3.26Å; K928-R930 PolarHBondContact O-N 2.9Å; K928-T931 PolarHBondContact O-N 3.31Å; K928-T931 VanDerWaalsContact O-N 3.16Å; K928-T931 PolarHBondContact O-OG1 3.35Å; K928-D932 PolarHBondContact O-N 3.36Å; K928-D932 VanDerWaalsContact O-N 3.11Å; K928-D932 VanDerWaalsContact O-OD1 3.12Å; K928-G1223 PolarHBondContact NZ-O 2.58Å; K928-Y1224 WeakPolarHBondContact CD-O 3.47Å; K928-Y1224 WeakPolarHBondContact CE-O 3.39Å; K928-Y1224 WeakPolarHBondContact CG-O 3.24Å; K928-Y1224 PolarHBondContact NZ-O 2.82Å; K928-P1226 HydrophobicContact CB-CB 4.17Å; K928-P1226 HydrophobicContact CB-CG 4.16Å; K928-P1226 HydrophobicContact CG-CG 4.38Å |
| 929 | L | 61.7 | Low | 62 | Low | 117 Ų | 117 | 117.8 Ų | 117.8 | 61% | 0.613 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.5 | -32 | 177 | -73.4 | 163.8 | 0 | 0 | 0 | 112.9 | S933 | L929-S933 WeakPolarHBondContact O-CB 3.45Å; L929-S933 PolarHBondContact O-N 2.82Å; L929-S933 VanDerWaalsContact O-N 3.13Å |
| 930 | R | 66.7 | Low | 63.8 | Low | 203 Ų | 203 | 112.2 Ų | 112.2 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -76.4 | -23 | 176.2 | -81 | -175.4 | 169.3 | -179.3 | -2.8 | 114.1 | S927 K928 K934 | S927-R930 PolarHBondContact O-N 2.73Å; K928-R930 VanDerWaalsContact C-N 3.26Å; K928-R930 PolarHBondContact O-N 2.9Å; R930-K934 WeakPolarHBondContact O-CG 3.49Å |
| 931 | T | 66.3 | Low | 65.5 | Low | 58 Ų | 58 | 110.6 Ų | 110.6 | 36% | 0.356 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -79 | -43.6 | 171.7 | 45.3 | 0 | 0 | 0 | 0 | 111.4 | S927 K928 S933 K934 Q935 | S927-T931 PolarHBondContact O-N 3.49Å; S927-T931 VanDerWaalsContact O-N 3.1Å; K928-T931 PolarHBondContact O-N 3.31Å; K928-T931 VanDerWaalsContact O-N 3.16Å; K928-T931 PolarHBondContact O-OG1 3.35Å; T931-S933 PolarHBondContact O-N 2.84Å; T931-K934 PolarHBondContact O-N 3.15Å; T931-Q935 PolarHBondContact O-N 3.05Å; T931-Q935 VanDerWaalsContact O-N 3.08Å |
| 932 | D | 63.7 | Low | 67.3 | Low | 36 Ų | 36 | 110.2 Ų | 110.2 | 19% | 0.193 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | -179.2 | -64 | 17.3 | 0 | 0 | 0 | 110.2 | K928 K934 Q935 L936 G1223 Y1224 | K928-D932 PolarHBondContact O-N 3.36Å; K928-D932 VanDerWaalsContact O-N 3.11Å; K928-D932 VanDerWaalsContact O-OD1 3.12Å; D932-K934 PolarHBondContact O-N 3.17Å; D932-Q935 PolarHBondContact O-N 3.4Å; D932-L936 PolarHBondContact O-N 3.3Å; D932-G1223 WeakPolarHBondContact OD2-CA 3.42Å; D932-Y1224 PolarHBondContact OD2-N 2.95Å |
| 933 | S | 70.9 | Confident | 68.8 | Low | 59 Ų | 59 | 110.7 Ų | 110.7 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -53.5 | -48.9 | 172 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | L929 T931 Q935 L936 D937 | L929-S933 WeakPolarHBondContact O-CB 3.45Å; L929-S933 PolarHBondContact O-N 2.82Å; L929-S933 VanDerWaalsContact O-N 3.13Å; T931-S933 PolarHBondContact O-N 2.84Å; S933-Q935 VanDerWaalsContact C-N 3.28Å; S933-Q935 PolarHBondContact O-N 3.37Å; S933-L936 CarbonylContact O-C 3.56Å; S933-L936 WeakPolarHBondContact O-CA 3.5Å; S933-L936 VanDerWaalsContact O-CB 3.31Å; S933-L936 WeakPolarHBondContact O-CB 3.44Å; S933-L936 PolarHBondContact O-N 3.05Å; S933-D937 PolarHBondContact O-N 3.18Å |
| 934 | K | 75.8 | Confident | 70.6 | Confident | 147 Ų | 147 | 108.9 Ų | 108.9 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.1 | -20.6 | -178.7 | -75.7 | -170.8 | 174.1 | -165.6 | 0 | 114.4 | R930 T931 D932 D937 R938 | R930-K934 WeakPolarHBondContact O-CG 3.49Å; T931-K934 PolarHBondContact O-N 3.15Å; D932-K934 PolarHBondContact O-N 3.17Å; K934-D937 WeakPolarHBondContact CA-OD2 3.31Å; K934-R938 VanDerWaalsContact O-CG 3.3Å; K934-R938 WeakPolarHBondContact O-CG 3.46Å; K934-R938 PolarHBondContact O-N 3.37Å |
| 935 | Q | 74.7 | Confident | 72.3 | Confident | 139 Ų | 139 | 107.3 Ų | 107.3 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -78.1 | -37.6 | 167.8 | -73 | -165.5 | -15.8 | 0 | 0 | 111 | T931 D932 S933 R938 L939 | T931-Q935 PolarHBondContact O-N 3.05Å; T931-Q935 VanDerWaalsContact O-N 3.08Å; D932-Q935 PolarHBondContact O-N 3.4Å; S933-Q935 VanDerWaalsContact C-N 3.28Å; S933-Q935 PolarHBondContact O-N 3.37Å; Q935-R938 PolarHBondContact O-N 2.88Å; Q935-L939 WeakPolarHBondContact O-CB 3.4Å; Q935-L939 PolarHBondContact O-N 2.79Å |
| 936 | L | 75.6 | Confident | 74.1 | Confident | 125 Ų | 125 | 103 Ų | 103 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 173.3 | -149.3 | 77.6 | 0 | 0 | 0 | 111.7 | D932 S933 R938 L939 A940 | D932-L936 PolarHBondContact O-N 3.3Å; S933-L936 CarbonylContact O-C 3.56Å; S933-L936 WeakPolarHBondContact O-CA 3.5Å; S933-L936 VanDerWaalsContact O-CB 3.31Å; S933-L936 WeakPolarHBondContact O-CB 3.44Å; S933-L936 PolarHBondContact O-N 3.05Å; L936-R938 VanDerWaalsContact C-N 3.31Å; L936-R938 PolarHBondContact O-N 3.11Å; L936-L939 PolarHBondContact O-N 2.98Å; L936-L939 VanDerWaalsContact O-N 3.12Å; L936-A940 WeakPolarHBondContact O-CB 3.3Å; L936-A940 PolarHBondContact O-N 3.23Å |
| 937 | D | 79.6 | Confident | 75.5 | Confident | 87 Ų | 87 | 102.4 Ų | 102.4 | 47% | 0.465 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.7 | -44.7 | 176.3 | -56.2 | -33 | 0 | 0 | 0 | 111 | S933 K934 A940 S941 | S933-D937 PolarHBondContact O-N 3.18Å; K934-D937 WeakPolarHBondContact CA-OD2 3.31Å; D937-A940 PolarHBondContact O-N 3.49Å; D937-S941 PolarHBondContact O-N 2.99Å; D937-S941 PolarHBondContact O-OG 3.09Å; D937-S941 VanDerWaalsContact O-OG 3.11Å |
| 938 | R | 79.1 | Confident | 77.1 | Confident | 197 Ų | 197 | 104.3 Ų | 104.3 | 74% | 0.743 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68 | -36.6 | 176.3 | -77.4 | 176.2 | 174.6 | -168.2 | -2.8 | 113.1 | K934 Q935 L936 R942 | K934-R938 VanDerWaalsContact O-CG 3.3Å; K934-R938 WeakPolarHBondContact O-CG 3.46Å; K934-R938 PolarHBondContact O-N 3.37Å; Q935-R938 PolarHBondContact O-N 2.88Å; L936-R938 VanDerWaalsContact C-N 3.31Å; L936-R938 PolarHBondContact O-N 3.11Å; R938-R942 VanDerWaalsContact O-CB 3.24Å; R938-R942 WeakPolarHBondContact O-CB 3.47Å; R938-R942 PolarHBondContact O-N 3.34Å |
| 939 | L | 79.3 | Confident | 78.9 | Confident | 118 Ų | 118 | 107.6 Ų | 107.6 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.1 | -42.8 | 176 | -142.9 | 80.3 | 0 | 0 | 0 | 109.8 | Q935 L936 R942 T943 | Q935-L939 WeakPolarHBondContact O-CB 3.4Å; Q935-L939 PolarHBondContact O-N 2.79Å; L936-L939 PolarHBondContact O-N 2.98Å; L936-L939 VanDerWaalsContact O-N 3.12Å; L939-R942 CarbonylContact O-C 3.59Å; L939-R942 PolarHBondContact O-N 3.3Å; L939-T943 WeakPolarHBondContact O-CB 3.43Å; L939-T943 PolarHBondContact O-N 2.82Å; L939-T943 PolarHBondContact O-OG1 3.39Å |
| 940 | A | 82.3 | Confident | 80 | Confident | 61 Ų | 61 | 104.7 Ų | 104.7 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L936 D937 R942 T943 Q944 | L936-A940 WeakPolarHBondContact O-CB 3.3Å; L936-A940 PolarHBondContact O-N 3.23Å; D937-A940 PolarHBondContact O-N 3.49Å; A940-R942 VanDerWaalsContact C-N 3.29Å; A940-R942 PolarHBondContact O-N 2.83Å; A940-T943 PolarHBondContact O-N 3.45Å; A940-Q944 PolarHBondContact O-N 3.3Å |
| 941 | S | 84.6 | Confident | 81 | Confident | 66 Ų | 66 | 98.9 Ų | 98.9 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 173.3 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | D937 Q944 E945 | D937-S941 PolarHBondContact O-N 2.99Å; D937-S941 PolarHBondContact O-OG 3.09Å; D937-S941 VanDerWaalsContact O-OG 3.11Å; S941-Q944 PolarHBondContact O-N 2.99Å; S941-E945 WeakPolarHBondContact O-CG 3.43Å; S941-E945 PolarHBondContact O-N 2.74Å |
| 942 | R | 85.7 | Confident | 82.1 | Confident | 151 Ų | 151 | 101.7 Ų | 101.7 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.9 | -34.3 | 178.3 | -171.5 | 56.4 | 162.2 | -160.4 | -1 | 112.9 | R938 L939 A940 E945 L946 | R938-R942 VanDerWaalsContact O-CB 3.24Å; R938-R942 WeakPolarHBondContact O-CB 3.47Å; R938-R942 PolarHBondContact O-N 3.34Å; L939-R942 CarbonylContact O-C 3.59Å; L939-R942 PolarHBondContact O-N 3.3Å; A940-R942 VanDerWaalsContact C-N 3.29Å; A940-R942 PolarHBondContact O-N 2.83Å; R942-E945 WeakPolarHBondContact CD-OE2 3.23Å; R942-E945 IonicContact CZ-OE2 2.94Å; R942-E945 IonicContact NE-OE2 2.71Å; R942-E945 IonicContact NH1-OE2 3.24Å; R942-E945 PolarHBondContact NH1-OE2 2.99Å; R942-L946 WeakPolarHBondContact O-CD1 3.5Å; R942-L946 VanDerWaalsContact O-CG 3.28Å; R942-L946 WeakPolarHBondContact O-CG 3.32Å; R942-L946 PolarHBondContact O-N 3.36Å |
| 943 | T | 84.1 | Confident | 83.2 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 172 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | L939 A940 L946 E947 | L939-T943 WeakPolarHBondContact O-CB 3.43Å; L939-T943 PolarHBondContact O-N 2.82Å; L939-T943 PolarHBondContact O-OG1 3.39Å; A940-T943 PolarHBondContact O-N 3.45Å; T943-L946 CarbonylContact O-C 3.59Å; T943-L946 PolarHBondContact O-N 2.98Å; T943-L946 VanDerWaalsContact O-N 3.16Å; T943-E947 WeakPolarHBondContact O-CB 3.3Å; T943-E947 PolarHBondContact O-N 3.18Å |
| 944 | Q | 87.5 | Confident | 84 | Confident | 107 Ų | 107 | 110.3 Ų | 110.3 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.3 | -170.7 | -169.5 | -34.6 | 0 | 0 | 111.9 | A940 S941 L946 E947 E948 | A940-Q944 PolarHBondContact O-N 3.3Å; S941-Q944 PolarHBondContact O-N 2.99Å; Q944-L946 PolarHBondContact O-N 2.74Å; Q944-E947 PolarHBondContact O-N 2.91Å; Q944-E948 HydrophobicContact CG-CG 4.41Å; Q944-E948 PolarHBondContact NE2-OE1 3.37Å; Q944-E948 WeakPolarHBondContact O-CB 3.45Å; Q944-E948 WeakPolarHBondContact O-CG 3.48Å; Q944-E948 PolarHBondContact O-N 3.09Å |
| 945 | E | 86.6 | Confident | 84.5 | Confident | 99 Ų | 99 | 108.7 Ų | 108.7 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -54.2 | -40.4 | 173 | -79.3 | 172.8 | -172.6 | 0 | 0 | 111.9 | S941 R942 F949 | S941-E945 WeakPolarHBondContact O-CG 3.43Å; S941-E945 PolarHBondContact O-N 2.74Å; R942-E945 WeakPolarHBondContact CD-OE2 3.23Å; R942-E945 IonicContact CZ-OE2 2.94Å; R942-E945 IonicContact NE-OE2 2.71Å; R942-E945 IonicContact NH1-OE2 3.24Å; R942-E945 PolarHBondContact NH1-OE2 2.99Å; E945-F949 VanDerWaalsContact O-CB 3.29Å; E945-F949 WeakPolarHBondContact O-CB 3.46Å; E945-F949 PolarHBondContact O-N 3.36Å; E945-F949 VanDerWaalsContact O-N 3.11Å |
| 946 | L | 86 | Confident | 85.1 | Confident | 102 Ų | 102 | 107.8 Ų | 107.8 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.5 | -35.8 | 179.2 | -71.9 | 168.7 | 0 | 0 | 0 | 112.8 | R942 T943 Q944 F949 A950 | R942-L946 WeakPolarHBondContact O-CD1 3.5Å; R942-L946 VanDerWaalsContact O-CG 3.28Å; R942-L946 WeakPolarHBondContact O-CG 3.32Å; R942-L946 PolarHBondContact O-N 3.36Å; T943-L946 CarbonylContact O-C 3.59Å; T943-L946 PolarHBondContact O-N 2.98Å; T943-L946 VanDerWaalsContact O-N 3.16Å; Q944-L946 PolarHBondContact O-N 2.74Å; L946-F949 PolarHBondContact O-N 2.83Å; L946-A950 WeakPolarHBondContact O-CB 3.46Å; L946-A950 PolarHBondContact O-N 3.38Å |
| 947 | E | 88.1 | Confident | 85.5 | Confident | 121 Ų | 121 | 108.2 Ų | 108.2 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -47.1 | 176 | -174.9 | 168.9 | -155.3 | 0 | 0 | 110.7 | T943 Q944 F949 A950 I951 | T943-E947 WeakPolarHBondContact O-CB 3.3Å; T943-E947 PolarHBondContact O-N 3.18Å; Q944-E947 PolarHBondContact O-N 2.91Å; E947-F949 VanDerWaalsContact C-N 3.26Å; E947-F949 PolarHBondContact O-N 2.83Å; E947-A950 PolarHBondContact O-N 2.88Å; E947-A950 VanDerWaalsContact O-N 3.17Å; E947-I951 HydrophobicContact CG-CD1 4.32Å; E947-I951 WeakPolarHBondContact O-CG1 3.41Å; E947-I951 PolarHBondContact O-N 3.34Å |
| 948 | E | 88.2 | Confident | 85.7 | Confident | 70 Ų | 70 | 108.2 Ų | 108.2 | 33% | 0.327 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -32.7 | 170.8 | -69.2 | -180 | -156.6 | 0 | 0 | 112.5 | Q944 R952 | Q944-E948 HydrophobicContact CG-CG 4.41Å; Q944-E948 PolarHBondContact NE2-OE1 3.37Å; Q944-E948 WeakPolarHBondContact O-CB 3.45Å; Q944-E948 WeakPolarHBondContact O-CG 3.48Å; Q944-E948 PolarHBondContact O-N 3.09Å; E948-R952 WeakPolarHBondContact O-CB 3.17Å; E948-R952 VanDerWaalsContact O-CG 3.31Å; E948-R952 WeakPolarHBondContact O-CG 3.41Å; E948-R952 PolarHBondContact O-N 3.37Å; E948-R952 PolarHBondContact O-NE 3.14Å; E948-R952 IonicContact OE2-CZ 3.92Å; E948-R952 IonicContact OE2-NH1 2.58Å; E948-R952 PolarHBondContact OE2-NH1 3.16Å; E948-R952 IonicContact OE2-NH2 2.81Å; E948-R952 PolarHBondContact OE2-NH2 2.98Å |
| 949 | F | 90.2 | Very high | 85.8 | Confident | 115 Ų | 115 | 103.7 Ų | 103.7 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70 | -38.9 | 174 | -178.3 | -104.4 | 0 | 0 | 0 | 111.9 | E945 L946 E947 R952 L953 | E945-F949 VanDerWaalsContact O-CB 3.29Å; E945-F949 WeakPolarHBondContact O-CB 3.46Å; E945-F949 PolarHBondContact O-N 3.36Å; E945-F949 VanDerWaalsContact O-N 3.11Å; L946-F949 PolarHBondContact O-N 2.83Å; E947-F949 VanDerWaalsContact C-N 3.26Å; E947-F949 PolarHBondContact O-N 2.83Å; F949-R952 PolarHBondContact O-N 3.34Å; F949-L953 HydrophobicContact CD1-CD1 3.98Å; F949-L953 HydrophobicContact CE1-CD1 3.46Å; F949-L953 VanDerWaalsContact CE1-CD1 3.46Å; F949-L953 HydrophobicContact CE1-CG 4.18Å; F949-L953 HydrophobicContact CZ-CD1 3.86Å; F949-L953 HydrophobicContact CZ-CG 4.2Å; F949-L953 WeakPolarHBondContact O-CG 3.4Å; F949-L953 PolarHBondContact O-N 3.49Å |
| 950 | A | 85.1 | Confident | 85.9 | Confident | 56 Ų | 56 | 102.4 Ų | 102.4 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L946 E947 L953 R954 | L946-A950 WeakPolarHBondContact O-CB 3.46Å; L946-A950 PolarHBondContact O-N 3.38Å; E947-A950 PolarHBondContact O-N 2.88Å; E947-A950 VanDerWaalsContact O-N 3.17Å; A950-L953 PolarHBondContact O-N 2.96Å; A950-R954 WeakPolarHBondContact O-CB 3.49Å; A950-R954 PolarHBondContact O-N 3.42Å |
| 951 | I | 88.2 | Confident | 85.6 | Confident | 82 Ų | 82 | 103.4 Ų | 103.4 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -52.1 | 171.2 | -69.1 | 164.3 | 0 | 0 | 0 | 109.8 | E947 L953 R954 E955 | E947-I951 HydrophobicContact CG-CD1 4.32Å; E947-I951 WeakPolarHBondContact O-CG1 3.41Å; E947-I951 PolarHBondContact O-N 3.34Å; I951-L953 VanDerWaalsContact C-N 3.29Å; I951-L953 PolarHBondContact O-N 2.82Å; I951-R954 CarbonylContact O-C 3.55Å; I951-R954 WeakPolarHBondContact O-CA 3.43Å; I951-R954 WeakPolarHBondContact O-CB 3.45Å; I951-R954 PolarHBondContact O-N 2.92Å; I951-E955 HydrophobicContact CG2-CG 4.27Å; I951-E955 WeakPolarHBondContact O-CG 3.44Å; I951-E955 PolarHBondContact O-N 2.85Å |
| 952 | R | 88.1 | Confident | 85.1 | Confident | 116 Ų | 116 | 103.2 Ų | 103.2 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -35.5 | 177.8 | -75.3 | 178.4 | -71.3 | -108.7 | 0.2 | 113.2 | E948 F949 Q956 | E948-R952 WeakPolarHBondContact O-CB 3.17Å; E948-R952 VanDerWaalsContact O-CG 3.31Å; E948-R952 WeakPolarHBondContact O-CG 3.41Å; E948-R952 PolarHBondContact O-N 3.37Å; E948-R952 PolarHBondContact O-NE 3.14Å; E948-R952 IonicContact OE2-CZ 3.92Å; E948-R952 IonicContact OE2-NH1 2.58Å; E948-R952 PolarHBondContact OE2-NH1 3.16Å; E948-R952 IonicContact OE2-NH2 2.81Å; E948-R952 PolarHBondContact OE2-NH2 2.98Å; F949-R952 PolarHBondContact O-N 3.34Å; R952-Q956 WeakPolarHBondContact O-CB 3.48Å; R952-Q956 WeakPolarHBondContact O-CG 3.33Å; R952-Q956 PolarHBondContact O-N 3.25Å |
| 953 | L | 87.7 | Confident | 84.5 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 172.5 | -78.4 | 177.2 | 0 | 0 | 0 | 112.6 | F949 A950 I951 Q956 F957 | F949-L953 HydrophobicContact CD1-CD1 3.98Å; F949-L953 HydrophobicContact CE1-CD1 3.46Å; F949-L953 VanDerWaalsContact CE1-CD1 3.46Å; F949-L953 HydrophobicContact CE1-CG 4.18Å; F949-L953 HydrophobicContact CZ-CD1 3.86Å; F949-L953 HydrophobicContact CZ-CG 4.2Å; F949-L953 WeakPolarHBondContact O-CG 3.4Å; F949-L953 PolarHBondContact O-N 3.49Å; A950-L953 PolarHBondContact O-N 2.96Å; I951-L953 VanDerWaalsContact C-N 3.29Å; I951-L953 PolarHBondContact O-N 2.82Å; L953-Q956 PolarHBondContact O-N 3.05Å; L953-F957 WeakPolarHBondContact O-CB 3.4Å; L953-F957 PolarHBondContact O-N 3.21Å |
| 954 | R | 86.9 | Confident | 83.8 | Confident | 181 Ų | 181 | 103.2 Ų | 103.2 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.4 | -40.2 | 174.3 | -171.6 | -174.2 | -63.8 | -96.1 | 3.6 | 111.6 | A950 I951 F957 N958 | A950-R954 WeakPolarHBondContact O-CB 3.49Å; A950-R954 PolarHBondContact O-N 3.42Å; I951-R954 CarbonylContact O-C 3.55Å; I951-R954 WeakPolarHBondContact O-CA 3.43Å; I951-R954 WeakPolarHBondContact O-CB 3.45Å; I951-R954 PolarHBondContact O-N 2.92Å; R954-F957 PolarHBondContact O-N 2.98Å; R954-N958 WeakPolarHBondContact O-CB 3.22Å; R954-N958 VanDerWaalsContact O-CG 3.25Å; R954-N958 PolarHBondContact O-N 3.48Å; R954-N958 PolarHBondContact O-OD1 3.05Å |
| 955 | E | 87.8 | Confident | 82.7 | Confident | 113 Ų | 113 | 104.2 Ų | 104.2 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 173.8 | -70.8 | 171.3 | 158.2 | 0 | 0 | 111.1 | I951 F957 N958 Q959 | I951-E955 HydrophobicContact CG2-CG 4.27Å; I951-E955 WeakPolarHBondContact O-CG 3.44Å; I951-E955 PolarHBondContact O-N 2.85Å; E955-F957 PolarHBondContact O-N 2.98Å; E955-N958 PolarHBondContact O-N 2.99Å; E955-Q959 VanDerWaalsContact O-CB 3.24Å; E955-Q959 WeakPolarHBondContact O-CB 3.35Å; E955-Q959 PolarHBondContact O-N 2.7Å |
| 956 | Q | 85.7 | Confident | 81.4 | Confident | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.5 | -42.9 | 173.2 | -73.7 | -93.8 | -97.3 | 0 | 0 | 112.3 | R952 L953 Q959 I960 | R952-Q956 WeakPolarHBondContact O-CB 3.48Å; R952-Q956 WeakPolarHBondContact O-CG 3.33Å; R952-Q956 PolarHBondContact O-N 3.25Å; L953-Q956 PolarHBondContact O-N 3.05Å; Q956-Q959 PolarHBondContact O-N 2.97Å; Q956-I960 VanDerWaalsContact O-CG1 3.31Å; Q956-I960 WeakPolarHBondContact O-CG1 3.34Å; Q956-I960 PolarHBondContact O-N 2.86Å |
| 957 | F | 84.2 | Confident | 79.9 | Confident | 134 Ų | 134 | 106.7 Ų | 106.7 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -43.6 | 179.6 | -157.6 | -89.3 | 0 | 0 | 0 | 111.9 | L953 R954 E955 Q959 I960 L961 | L953-F957 WeakPolarHBondContact O-CB 3.4Å; L953-F957 PolarHBondContact O-N 3.21Å; R954-F957 PolarHBondContact O-N 2.98Å; E955-F957 PolarHBondContact O-N 2.98Å; F957-Q959 VanDerWaalsContact C-N 3.29Å; F957-Q959 PolarHBondContact O-N 3.33Å; F957-I960 PolarHBondContact O-N 2.86Å; F957-L961 HydrophobicContact CD1-CD1 3.8Å; F957-L961 HydrophobicContact CD1-CG 4.17Å; F957-L961 HydrophobicContact CE1-CD1 3.86Å; F957-L961 HydrophobicContact CE1-CD2 4.43Å; F957-L961 HydrophobicContact CE1-CG 4.15Å; F957-L961 WeakPolarHBondContact O-CG 3.45Å; F957-L961 PolarHBondContact O-N 3.34Å |
| 958 | N | 84 | Confident | 78.3 | Confident | 86 Ų | 86 | 104.8 Ų | 104.8 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 173.1 | -74 | 11 | 0 | 0 | 0 | 111.5 | R954 E955 L961 S962 | R954-N958 WeakPolarHBondContact O-CB 3.22Å; R954-N958 VanDerWaalsContact O-CG 3.25Å; R954-N958 PolarHBondContact O-N 3.48Å; R954-N958 PolarHBondContact O-OD1 3.05Å; E955-N958 PolarHBondContact O-N 2.99Å; N958-L961 PolarHBondContact O-N 3Å; N958-S962 WeakPolarHBondContact O-CB 3.27Å; N958-S962 PolarHBondContact O-N 3.29Å; N958-S962 PolarHBondContact O-OG 3.19Å |
| 959 | Q | 80.8 | Confident | 76.5 | Confident | 103 Ų | 103 | 108.7 Ų | 108.7 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.5 | -36.8 | 177.9 | -174.1 | 166.1 | 11.1 | 0 | 0 | 112.1 | E955 Q956 F957 S962 E963 | E955-Q959 VanDerWaalsContact O-CB 3.24Å; E955-Q959 WeakPolarHBondContact O-CB 3.35Å; E955-Q959 PolarHBondContact O-N 2.7Å; Q956-Q959 PolarHBondContact O-N 2.97Å; F957-Q959 VanDerWaalsContact C-N 3.29Å; F957-Q959 PolarHBondContact O-N 3.33Å; Q959-S962 PolarHBondContact O-N 2.82Å; Q959-E963 WeakPolarHBondContact CG-OE1 3.36Å; Q959-E963 PolarHBondContact NE2-OE1 2.85Å; Q959-E963 WeakPolarHBondContact O-CB 3.42Å; Q959-E963 WeakPolarHBondContact O-CG 3.35Å; Q959-E963 PolarHBondContact O-N 3.28Å |
| 960 | I | 81.1 | Confident | 74.4 | Confident | 90 Ų | 90 | 110.5 Ų | 110.5 | 46% | 0.462 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 170.7 | -69.5 | 163 | 0 | 0 | 0 | 110.5 | Q956 F957 E963 E964 | Q956-I960 VanDerWaalsContact O-CG1 3.31Å; Q956-I960 WeakPolarHBondContact O-CG1 3.34Å; Q956-I960 PolarHBondContact O-N 2.86Å; F957-I960 PolarHBondContact O-N 2.86Å; I960-E963 PolarHBondContact O-N 3.48Å; I960-E964 PolarHBondContact O-N 2.84Å |
| 961 | L | 76.5 | Confident | 72.1 | Confident | 83 Ų | 83 | 116.4 Ų | 116.4 | 44% | 0.435 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.8 | -45.2 | 175.8 | -70.9 | 173 | 0 | 0 | 0 | 112 | F957 N958 E963 E964 E965 | F957-L961 HydrophobicContact CD1-CD1 3.8Å; F957-L961 HydrophobicContact CD1-CG 4.17Å; F957-L961 HydrophobicContact CE1-CD1 3.86Å; F957-L961 HydrophobicContact CE1-CD2 4.43Å; F957-L961 HydrophobicContact CE1-CG 4.15Å; F957-L961 WeakPolarHBondContact O-CG 3.45Å; F957-L961 PolarHBondContact O-N 3.34Å; N958-L961 PolarHBondContact O-N 3Å; L961-E963 VanDerWaalsContact C-N 3.34Å; L961-E963 PolarHBondContact O-N 2.84Å; L961-E964 PolarHBondContact O-N 3.1Å; L961-E965 VanDerWaalsContact O-CB 3.31Å; L961-E965 WeakPolarHBondContact O-CB 3.44Å; L961-E965 PolarHBondContact O-N 2.87Å |
| 962 | S | 73.9 | Confident | 69.5 | Low | 61 Ų | 61 | 117.6 Ų | 117.6 | 43% | 0.427 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.6 | -33.3 | 176 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | N958 Q959 E965 E966 | N958-S962 WeakPolarHBondContact O-CB 3.27Å; N958-S962 PolarHBondContact O-N 3.29Å; N958-S962 PolarHBondContact O-OG 3.19Å; Q959-S962 PolarHBondContact O-N 2.82Å; S962-E965 PolarHBondContact O-N 3.5Å; S962-E966 WeakPolarHBondContact O-CB 3.43Å; S962-E966 PolarHBondContact O-N 3.26Å |
| 963 | E | 73.4 | Confident | 66.9 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 47% | 0.472 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.7 | -35.6 | 172.4 | -76.3 | 176.4 | -155 | 0 | 0 | 111.3 | Q959 I960 L961 N967 | Q959-E963 WeakPolarHBondContact CG-OE1 3.36Å; Q959-E963 PolarHBondContact NE2-OE1 2.85Å; Q959-E963 WeakPolarHBondContact O-CB 3.42Å; Q959-E963 WeakPolarHBondContact O-CG 3.35Å; Q959-E963 PolarHBondContact O-N 3.28Å; I960-E963 PolarHBondContact O-N 3.48Å; L961-E963 VanDerWaalsContact C-N 3.34Å; L961-E963 PolarHBondContact O-N 2.84Å; E963-N967 WeakPolarHBondContact O-CB 3.38Å; E963-N967 PolarHBondContact O-N 3.2Å; E963-N967 VanDerWaalsContact O-N 3.1Å; E963-N967 PolarHBondContact O-ND2 3.13Å |
| 964 | E | 69 | Low | 64.4 | Low | 132 Ų | 132 | 119.9 Ų | 119.9 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.2 | -37.6 | 170.7 | -72.8 | -173.2 | 137.2 | 0 | 0 | 112 | I960 L961 S968 | I960-E964 PolarHBondContact O-N 2.84Å; L961-E964 PolarHBondContact O-N 3.1Å; E964-S968 WeakPolarHBondContact O-CB 3.37Å; E964-S968 PolarHBondContact O-N 2.69Å; E964-S968 VanDerWaalsContact O-N 3.1Å |
| 965 | E | 64.5 | Low | 61.9 | Low | 128 Ų | 128 | 119.7 Ų | 119.7 | 60% | 0.598 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.1 | -50.2 | 179.7 | -159.7 | 162.3 | -136.7 | 0 | 0 | 111.6 | L961 S962 N967 S968 E969 | L961-E965 VanDerWaalsContact O-CB 3.31Å; L961-E965 WeakPolarHBondContact O-CB 3.44Å; L961-E965 PolarHBondContact O-N 2.87Å; S962-E965 PolarHBondContact O-N 3.5Å; E965-N967 PolarHBondContact O-N 2.84Å; E965-S968 WeakPolarHBondContact O-CA 3.39Å; E965-S968 WeakPolarHBondContact O-CB 3.29Å; E965-S968 PolarHBondContact O-N 3.29Å; E965-S968 PolarHBondContact O-OG 3.31Å; E965-E969 PolarHBondContact O-N 3.05Å |
| 966 | E | 59.2 | Low | 59.6 | Low | 130 Ų | 130 | 120.9 Ų | 120.9 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.3 | -36.6 | 174.6 | -76.2 | -166.1 | 150.6 | 0 | 0 | 112.6 | S962 S968 E969 | S962-E966 WeakPolarHBondContact O-CB 3.43Å; S962-E966 PolarHBondContact O-N 3.26Å; E966-S968 PolarHBondContact O-N 2.85Å; E966-E969 PolarHBondContact O-N 2.7Å |
| 967 | N | 55.3 | Low | 57 | Low | 123 Ų | 123 | 121.9 Ų | 121.9 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.7 | -17.1 | 173.5 | -77.9 | -67.7 | 0 | 0 | 0 | 112.9 | E963 E965 | E963-N967 WeakPolarHBondContact O-CB 3.38Å; E963-N967 PolarHBondContact O-N 3.2Å; E963-N967 VanDerWaalsContact O-N 3.1Å; E963-N967 PolarHBondContact O-ND2 3.13Å; E965-N967 PolarHBondContact O-N 2.84Å |
| 968 | S | 54.3 | Low | 54.8 | Low | 80 Ų | 80 | 120.7 Ų | 120.7 | 56% | 0.559 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85.2 | -39.8 | 172.3 | 82.2 | 0 | 0 | 0 | 0 | 112.8 | E964 E965 E966 H970 | E964-S968 WeakPolarHBondContact O-CB 3.37Å; E964-S968 PolarHBondContact O-N 2.69Å; E964-S968 VanDerWaalsContact O-N 3.1Å; E965-S968 WeakPolarHBondContact O-CA 3.39Å; E965-S968 WeakPolarHBondContact O-CB 3.29Å; E965-S968 PolarHBondContact O-N 3.29Å; E965-S968 PolarHBondContact O-OG 3.31Å; E966-S968 PolarHBondContact O-N 2.85Å; S968-H970 VanDerWaalsContact C-N 3.27Å; S968-H970 PolarHBondContact O-N 2.96Å |
| 969 | E | 50.8 | Low | 52.4 | Low | 152 Ų | 152 | 122 Ų | 122 | 71% | 0.71 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.5 | -4.6 | -177.2 | -73.1 | -150.9 | 124.2 | 0 | 0 | 114.6 | E965 E966 | E965-E969 PolarHBondContact O-N 3.05Å; E966-E969 PolarHBondContact O-N 2.7Å |
| 970 | H | 45.8 | Very low | 50.3 | Low | 153 Ų | 153 | 122.1 Ų | 122.1 | 71% | 0.708 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 20 | -172.9 | -80 | 19.4 | 0 | 0 | 0 | 115.9 | S968 | S968-H970 VanDerWaalsContact C-N 3.27Å; S968-H970 PolarHBondContact O-N 2.96Å |
| 971 | Q | 37.3 | Very low | 48.2 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 84% | 0.841 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -126.8 | 31 | 176.4 | -65.9 | -160.4 | 33.1 | 0 | 0 | 116.9 | ||
| 972 | S | 32.8 | Very low | 46.2 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -150.8 | 40.4 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 117.7 | ||
| 973 | S | 34.7 | Very low | 44.5 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -148.5 | 74.6 | 164.4 | -134.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 974 | T | 35 | Very low | 42.7 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | trans | -94.6 | 93.6 | 160.6 | -63.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 975 | Q | 35 | Very low | 41.6 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 143 | -178.4 | -168.1 | 175.9 | 81.8 | 0 | 0 | 112 | ||
| 976 | V | 37.8 | Very low | 40.4 | Very low | 137 Ų | 137 | 131 Ų | 131 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.3 | -178.7 | -174 | 0 | 0 | 0 | 0 | 111.3 | ||
| 977 | N | 32.4 | Very low | 39.3 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 168.8 | 170.7 | -101.1 | -62.7 | 0 | 0 | 0 | 115 | ||
| 978 | P | 37.2 | Very low | 38.5 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | cis | -138.2 | 162.3 | 5 | 34 | -14.1 | 0 | 0 | 0 | 117.6 | ||||
| 979 | S | 33.4 | Very low | 37.6 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 176.2 | 142.8 | 113.5 | 47.2 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 980 | S | 36.2 | Very low | 37.1 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 76.8 | 85.8 | 146.1 | -164.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 981 | V | 38.1 | Very low | 36.8 | Very low | 142 Ų | 142 | 136 Ų | 136 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | 64 | 120 | 127 | -179.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 982 | G | 34.4 | Very low | 36.8 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 128.8 | 142 | 144.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 983 | V | 38.2 | Very low | 36.9 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | cis | -164.6 | 126.7 | -46.8 | 127.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 984 | Y | 36.3 | Very low | 36.9 | Very low | 210 Ų | 210 | 135.5 Ų | 135.5 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | 65.5 | 152.6 | 159.3 | -89.1 | -99.9 | 0 | 0 | 0 | 124.5 | ||||
| 985 | P | 44.8 | Very low | 36.9 | Very low | 99 Ų | 99 | 136 Ų | 136 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | trans | -128.9 | -142.5 | -177.7 | 44.5 | -24 | 0 | 0 | 0 | 113.5 | ||||
| 986 | D | 38.9 | Very low | 36.9 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 82.6 | 128.9 | 165.4 | -66.7 | -28.7 | 0 | 0 | 0 | 121.2 | ||||
| 987 | L | 37 | Very low | 36.8 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | -165.9 | 153.7 | 117 | -103.5 | 166.8 | 0 | 0 | 0 | 112.3 | |||||
| 988 | M | 38.2 | Very low | 36.9 | Very low | 154 Ų | 154 | 130 Ų | 130 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -116.9 | 166.9 | -175.9 | -63.2 | -172.9 | 178.5 | 0 | 0 | 112.6 | ||||
| 989 | D | 36.2 | Very low | 36.8 | Very low | 150 Ų | 150 | 132 Ų | 132 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | 153.5 | 160.7 | 126.8 | -87 | -9 | 0 | 0 | 0 | 114.4 | |||||
| 990 | V | 39.3 | Very low | 36.7 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | cis | 179.6 | 168.7 | -42.7 | 127.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 991 | H | 38.8 | Very low | 36.4 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | 83.2 | 153.2 | 164.4 | -70.9 | -26.6 | 0 | 0 | 0 | 121.8 | ||||
| 992 | N | 37.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 58% | 0.583 | 72% | 0.716 | S | S | * | * | cis | -171.5 | 173.3 | -35.7 | -148.9 | -7.2 | 0 | 0 | 0 | 113.4 | ||||
| 993 | N | 35.4 | Very low | 35.7 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | 75.4 | 119.2 | 161.8 | -49.6 | -33.9 | 0 | 0 | 0 | 116.9 | ||||
| 994 | Q | 33.7 | Very low | 35.3 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | cis | 86.1 | 117.6 | 32.2 | -62.7 | -165.3 | 11.7 | 0 | 0 | 117.2 | ||||
| 995 | H | 35.8 | Very low | 35 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 73% | 0.731 | 72% | 0.715 | S | S | * | * | 176.8 | 157.6 | 109.7 | -102.9 | -68.5 | 0 | 0 | 0 | 115.6 | N1288 | H995-N1288 PolarHBondContact O-ND2 2.96Š| |||
| 996 | A | 34.8 | Very low | 34.4 | Very low | 48 Ų | 48 | 138.3 Ų | 138.3 | 40% | 0.397 | 72% | 0.724 | S | S | . | * | trans | 76.8 | 155.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | N1288 | A996-N1288 PolarHBondContact O-ND2 3.24Å; A996-N1288 PolarHBondContact O-OD1 3.11Å | ||
| 997 | L | 35.6 | Very low | 34 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 60% | 0.597 | 73% | 0.728 | S | S | * | * | -170 | 146.2 | -55.2 | -112.7 | 168.9 | 0 | 0 | 0 | 112.4 | I1289 | L997-I1289 WeakPolarHBondContact O-CD1 3.46Š| |||
| 998 | K | 35.3 | Very low | 33.7 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | 68.5 | 144.1 | 167 | -60.7 | 176.8 | -177.5 | 179 | 0 | 116.4 | ||||
| 999 | N | 34.8 | Very low | 33.4 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | cis | -130.2 | 152.7 | 5.3 | -67.8 | -68.1 | 0 | 0 | 0 | 112.3 | ||||
| 1000 | T | 30.2 | Very low | 33.1 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -78 | 162.3 | 162.5 | -4.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1001 | P | 30.4 | Very low | 32.8 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | -144.7 | 174.2 | 68.1 | 36.6 | -15.7 | 0 | 0 | 0 | 117.9 | |||||
| 1002 | L | 31.1 | Very low | 32.3 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -1.7 | 134.5 | 162.5 | -71.2 | 74.8 | 0 | 0 | 0 | 119.4 | ||||
| 1003 | M | 27.9 | Very low | 32 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | 79.2 | 143.8 | 59 | -87.4 | -76.3 | 160.5 | 0 | 0 | 115.7 | |||||
| 1004 | I | 29.9 | Very low | 31.7 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 80.5 | 133.9 | 170.4 | -57.6 | 151.9 | 0 | 0 | 0 | 115.5 | ||||
| 1005 | P | 30.1 | Very low | 31.8 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | cis | -138.6 | -153.4 | -26.4 | 41.5 | -20.9 | 0 | 0 | 0 | 113.4 | ||||
| 1006 | K | 30.9 | Very low | 31.6 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -71 | 150.6 | 172.3 | -57.7 | 175 | 178.5 | -179.8 | 0 | 113.4 | ||||
| 1007 | N | 31.2 | Very low | 31.5 | Very low | 149 Ų | 149 | 156.5 Ų | 156.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -176.4 | 123.9 | 139.5 | -88.4 | -17.6 | 0 | 0 | 0 | 106.2 | ||||
| 1008 | Q | 29.5 | Very low | 31.4 | Very low | 174 Ų | 174 | 158.3 Ų | 158.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | cis | 77.1 | 100.3 | 45.3 | -137.8 | -171.8 | 28.7 | 0 | 0 | 114.2 | ||||
| 1009 | F | 31.8 | Very low | 31.8 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | trans | -144.7 | 104.1 | 153.8 | -89.5 | -80 | 0 | 0 | 0 | 108 | ||||
| 1010 | Q | 31.1 | Very low | 32 | Very low | 149 Ų | 149 | 155.9 Ų | 155.9 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | S | Bend | 43.5 | 125.3 | 124.7 | -70.5 | 172.9 | -19.9 | 0 | 0 | 118.9 | |||
| 1011 | L | 32.3 | Very low | 32.6 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | cis | -132.8 | 148.1 | 5.8 | -86.8 | 158.1 | 0 | 0 | 0 | 111.1 | ||||
| 1012 | H | 29 | Very low | 33.1 | Very low | 198 Ų | 198 | 158.8 Ų | 158.8 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -156.2 | 141.8 | -175.1 | -145.5 | -53.6 | 0 | 0 | 0 | 107.8 | ||||
| 1013 | G | 31.7 | Very low | 33.4 | Very low | 73 Ų | 73 | 155.2 Ų | 155.2 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 168 | 59.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1014 | F | 29.1 | Very low | 34 | Very low | 198 Ų | 198 | 154.6 Ų | 154.6 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -89.7 | 138.7 | 145.8 | -81.9 | -88 | 0 | 0 | 0 | 107.5 | ||||
| 1015 | N | 34.7 | Very low | 34.5 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -134.1 | 131.4 | 169.8 | -95.4 | -0.6 | 0 | 0 | 0 | 108.9 | ||||
| 1016 | Y | 31.2 | Very low | 35.1 | Very low | 223 Ų | 223 | 157.4 Ų | 157.4 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -95.6 | 153.9 | 159.4 | -79.2 | -98.4 | 0 | 0 | 0 | 108.9 | ||||
| 1017 | E | 34.3 | Very low | 35.3 | Very low | 192 Ų | 192 | 157.7 Ų | 157.7 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -144 | 140.1 | 161 | -163 | 154.9 | -143 | 0 | 0 | 109.5 | ||||
| 1018 | L | 33.9 | Very low | 35.6 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -90.4 | 149.3 | -178.3 | -76.4 | 63.2 | 0 | 0 | 0 | 110.5 | ||||
| 1019 | V | 42 | Very low | 36 | Very low | 135 Ų | 135 | 157.8 Ų | 157.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -148.8 | 116.8 | 140.6 | 176 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1020 | D | 39.8 | Very low | 36.5 | Very low | 133 Ų | 133 | 156.3 Ų | 156.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 38.6 | 117.4 | 142.6 | -53.5 | -14.4 | 0 | 0 | 0 | 124.5 | ||||
| 1021 | E | 42.4 | Very low | 36.8 | Very low | 160 Ų | 160 | 157 Ų | 157 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 86 | 136.7 | 118.1 | -78.8 | -161.3 | -175.4 | 0 | 0 | 125.1 | |||||
| 1022 | N | 40.6 | Very low | 37 | Very low | 142 Ų | 142 | 155.6 Ų | 155.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 76.1 | 101.8 | 147.5 | -59.6 | -32.8 | 0 | 0 | 0 | 121.8 | ||||
| 1023 | G | 38.9 | Very low | 37.7 | Very low | 68 Ų | 68 | 151 Ų | 151 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | 122.3 | 125.3 | 108.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1024 | D | 40.1 | Very low | 38.2 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 61.1 | 98.2 | 147 | -55.7 | -3.7 | 0 | 0 | 0 | 121.2 | ||||
| 1025 | D | 41.1 | Very low | 38.8 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | 48.4 | 143 | 134.7 | -70.2 | -15.2 | 0 | 0 | 0 | 123.8 | ||||
| 1026 | I | 41.1 | Very low | 39.1 | Very low | 154 Ų | 154 | 149 Ų | 149 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 85.4 | 108.9 | 170 | -50.7 | 176.3 | 0 | 0 | 0 | 115.2 | Q1028 | I1026-Q1028 PolarHBondContact O-N 2.68Š| ||
| 1027 | E | 35.6 | Very low | 39.2 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -58.1 | 110.3 | -178.1 | -60.1 | 175.3 | 135.2 | 0 | 0 | 113.6 | ||||
| 1028 | Q | 38.1 | Very low | 39.4 | Very low | 143 Ų | 143 | 141 Ų | 141 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | -148 | 139.9 | 164.3 | -93.4 | -169.3 | 66.4 | 0 | 0 | 112.1 | I1026 | I1026-Q1028 PolarHBondContact O-N 2.68Š| ||
| 1029 | R | 38.3 | Very low | 39.6 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | 80.9 | 139.4 | 142.9 | -74.6 | 169.7 | -174.5 | -84 | -6 | 122.3 | ||||
| 1030 | E | 40.6 | Very low | 39.6 | Very low | 127 Ų | 127 | 142 Ų | 142 | 59% | 0.593 | 77% | 0.767 | S | S | * | * | trans | 79.8 | 98.2 | 133.7 | -73.6 | 150.4 | -149.3 | 0 | 0 | 121.6 | ||||
| 1031 | Q | 38.1 | Very low | 39.7 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | 49.2 | 113 | 115.4 | -61.8 | 177.6 | -84 | 0 | 0 | 120 | |||||
| 1032 | D | 37.1 | Very low | 39.5 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | -160.4 | 152.4 | 94.4 | -98 | -30.8 | 0 | 0 | 0 | 109.7 | |||||
| 1033 | T | 42.9 | Very low | 39.6 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 61% | 0.613 | 76% | 0.763 | S | S | * | * | cis | 75.2 | 137.8 | 43.8 | -30.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1034 | D | 42.6 | Very low | 39.7 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | cis | -81.7 | -152.9 | -6.8 | -100.9 | -56.7 | 0 | 0 | 0 | 111.1 | ||||
| 1035 | A | 41.2 | Very low | 39.4 | Very low | 81 Ų | 81 | 140 Ų | 140 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -157 | -164.4 | 10 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1036 | D | 40.6 | Very low | 39.1 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | 50.1 | 60.2 | 165.9 | -83.7 | 7.4 | 0 | 0 | 0 | 118 | ||||
| 1037 | S | 35.1 | Very low | 38.6 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -154.8 | 100.6 | 161.7 | -83.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1038 | S | 38 | Very low | 38.6 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | trans | -138.6 | 45.5 | -174.4 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1039 | A | 38 | Very low | 38.3 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -151.6 | 51.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1040 | Y | 41 | Very low | 38 | Very low | 216 Ų | 216 | 128.5 Ų | 128.5 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | -133.3 | 136.8 | 162.6 | -103.1 | -82.9 | 0 | 0 | 0 | 112.5 | ||||
| 1041 | T | 43.3 | Very low | 37.8 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -91.8 | 127.7 | -171 | -37.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1042 | D | 37.2 | Very low | 37.7 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | trans | -63.9 | 131.4 | 170.4 | -179.8 | 13 | 0 | 0 | 0 | 111 | S1044 | D1042-S1044 VanDerWaalsContact OD1-CB 3.24Å; D1042-S1044 WeakPolarHBondContact OD1-CB 3.33Å; D1042-S1044 PolarHBondContact OD1-N 3Å; D1042-S1044 PolarHBondContact OD1-OG 3.37Å; D1042-S1044 PolarHBondContact OD2-OG 3.14Å | ||
| 1043 | L | 42.1 | Very low | 37.6 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -123.3 | 17.3 | 178.1 | -70.3 | 176.7 | 0 | 0 | 0 | 112.7 | Q1045 | L1043-Q1045 VanDerWaalsContact C-N 3.3Å; L1043-Q1045 PolarHBondContact O-N 2.95Å | ||
| 1044 | S | 41.5 | Very low | 37.3 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -78 | -6.3 | 179.5 | 66.5 | 0 | 0 | 0 | 0 | 114.9 | D1042 | D1042-S1044 VanDerWaalsContact OD1-CB 3.24Å; D1042-S1044 WeakPolarHBondContact OD1-CB 3.33Å; D1042-S1044 PolarHBondContact OD1-N 3Å; D1042-S1044 PolarHBondContact OD1-OG 3.37Å; D1042-S1044 PolarHBondContact OD2-OG 3.14Å |
| 1045 | Q | 34.1 | Very low | 36.9 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | -123.2 | 52.4 | -166.9 | -70 | -74.1 | -15.2 | 0 | 0 | 114.1 | L1043 | L1043-Q1045 VanDerWaalsContact C-N 3.3Å; L1043-Q1045 PolarHBondContact O-N 2.95Å | ||
| 1046 | V | 33.8 | Very low | 36.5 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -135 | 66.5 | 175.9 | -160.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1047 | S | 31.4 | Very low | 36 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -70.9 | 127.5 | 168.2 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | V1049 | S1047-V1049 PolarHBondContact O-N 3.22Š| ||
| 1048 | P | 35.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -72.1 | 112.6 | 173.2 | 28.2 | -32.5 | 0 | 0 | 0 | 111.1 | ||||
| 1049 | V | 32.2 | Very low | 35.7 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | -45.5 | 134 | 178.8 | 173.7 | 0 | 0 | 0 | 0 | 113.1 | S1047 | S1047-V1049 PolarHBondContact O-N 3.22Š| ||
| 1050 | S | 33.2 | Very low | 35.6 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -113.5 | 154.5 | 170 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1051 | Q | 34.9 | Very low | 35.1 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | 73.2 | 160.5 | -178.3 | -45.3 | -166 | 8.7 | 0 | 0 | 113.9 | V1053 | Q1051-V1053 HydrophobicContact CB-CG2 4.14Š| ||
| 1052 | P | 36.1 | Very low | 34.7 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | cis | -77.3 | 148.5 | 34.7 | 31.9 | -38.5 | 0 | 0 | 0 | 114.4 | ||||
| 1053 | V | 34.5 | Very low | 34.3 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | 67.8 | 99.6 | 51.7 | -175.5 | 0 | 0 | 0 | 0 | 113.3 | Q1051 | Q1051-V1053 HydrophobicContact CB-CG2 4.14Š| |||
| 1054 | D | 36.9 | Very low | 34.1 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | -149.5 | 177.2 | 120.8 | -146.6 | -24.1 | 0 | 0 | 0 | 110.3 | |||||
| 1055 | S | 33.7 | Very low | 33.7 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -124.3 | 153 | -144.3 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1056 | G | 34.5 | Very low | 33.8 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -178.1 | 79.6 | -178 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1057 | C | 29.6 | Very low | 34 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -63.6 | 163.8 | 166 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1058 | Q | 37.3 | Very low | 34 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | cis | -161.3 | 142.2 | 47.7 | -61.7 | 178 | 8 | 0 | 0 | 114.8 | ||||
| 1059 | N | 30.5 | Very low | 34 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 31.5 | 149.1 | 131.5 | -62.6 | -20.4 | 0 | 0 | 0 | 124.7 | ||||
| 1060 | T | 34.2 | Very low | 34 | Very low | 135 Ų | 135 | 136 Ų | 136 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | trans | 76.3 | 127.7 | 165.3 | 66.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1061 | K | 31 | Very low | 34.1 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | cis | 85 | 93.2 | 26.4 | -168.4 | -174 | -178.7 | 175.8 | 0 | 114.6 | ||||
| 1062 | L | 35.4 | Very low | 34.1 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -167.2 | 153 | 146.2 | -110.6 | 164.4 | 0 | 0 | 0 | 113.1 | ||||
| 1063 | T | 29.3 | Very low | 34.2 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -112.3 | 144.6 | -178.1 | -47.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1064 | T | 36.2 | Very low | 34.3 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -158.4 | 143.5 | 156.9 | 11.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1065 | N | 34.2 | Very low | 34 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -89.8 | 165.2 | 169.9 | -56.5 | -46.5 | 0 | 0 | 0 | 110.9 | ||||
| 1066 | N | 35.9 | Very low | 34.2 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | 177.8 | 133.4 | 122.8 | -91.3 | -26.5 | 0 | 0 | 0 | 115.5 | |||||
| 1067 | L | 37.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | 46.7 | 116.1 | 131.6 | -58.4 | 168.7 | 0 | 0 | 0 | 119.9 | ||||
| 1068 | Q | 31.6 | Very low | 34.4 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | 92 | 129 | 88.4 | -155.8 | 176.8 | 27 | 0 | 0 | 110.9 | |||||
| 1069 | T | 34.7 | Very low | 34.4 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | -156.8 | 159.3 | 64.1 | 42.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1070 | N | 33.9 | Very low | 34.7 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -22.2 | 162.9 | 157.6 | -38 | -27.7 | 0 | 0 | 0 | 118.1 | ||||
| 1071 | A | 35.1 | Very low | 34.9 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | -160.9 | 161.3 | 28.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1072 | S | 33.2 | Very low | 35.1 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | trans | -28.5 | 154.2 | 157.3 | 51.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 1073 | H | 39.4 | Very low | 35.2 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | -173.8 | 153.1 | 67.7 | -107.2 | -70.7 | 0 | 0 | 0 | 115.5 | |||||
| 1074 | N | 35.6 | Very low | 35.5 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | 57.7 | 151.6 | 150.3 | -57.5 | -5 | 0 | 0 | 0 | 120.4 | ||||
| 1075 | G | 30.7 | Very low | 35.4 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | cis | 154.7 | 155.5 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1076 | Q | 38.1 | Very low | 35.6 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | trans | 73.9 | 125 | -175 | -51.3 | 175 | -5.9 | 0 | 0 | 113.7 | ||||
| 1077 | S | 32.5 | Very low | 35.5 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | cis | 81.2 | 127.9 | 23.5 | -164.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1078 | M | 36.6 | Very low | 35.5 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | trans | 171.5 | 108 | 134.8 | -90.7 | -69 | -86.7 | 0 | 0 | 113.3 | ||||
| 1079 | H | 36.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | trans | 59.8 | 168.2 | 146.2 | -65.8 | -16.9 | 0 | 0 | 0 | 120.4 | ||||
| 1080 | Q | 36.9 | Very low | 35.7 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | cis | -152.1 | 127.5 | 3 | -126 | 157.1 | 12.6 | 0 | 0 | 106.7 | ||||
| 1081 | H | 38.4 | Very low | 35.6 | Very low | 144 Ų | 144 | 134 Ų | 134 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | 98.7 | 143.9 | 81.8 | -103.8 | -92.9 | 0 | 0 | 0 | 117.4 | |||||
| 1082 | H | 34.9 | Very low | 35.7 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 69.6 | 153.6 | 167.1 | -64.9 | 101 | 0 | 0 | 0 | 119.5 | ||||
| 1083 | S | 37.3 | Very low | 35.8 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | 161.1 | 139.3 | -53.7 | -82 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1084 | Q | 36.9 | Very low | 35.5 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | 68.7 | 149.7 | 163 | -61.5 | 161.4 | 12.1 | 0 | 0 | 115.1 | ||||
| 1085 | S | 33.9 | Very low | 35.4 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | cis | -149.4 | 179 | 39.2 | -165.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1086 | V | 37.8 | Very low | 35.4 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -98.5 | 164.2 | -172.2 | -70.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1087 | G | 33.6 | Very low | 35.3 | Very low | 59 Ų | 59 | 146.5 Ų | 146.5 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | 155.5 | 108.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1088 | F | 37.4 | Very low | 35.4 | Very low | 213 Ų | 213 | 146.9 Ų | 146.9 | 93% | 0.934 | 78% | 0.78 | S | S | * | * | trans | 66.6 | 133 | 143.6 | -62.7 | -82.6 | 0 | 0 | 0 | 123.4 | ||||
| 1089 | M | 33.2 | Very low | 35 | Very low | 166 Ų | 166 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -103.7 | 167.6 | 149 | -57.7 | -161.2 | 78.6 | 0 | 0 | 109.5 | ||||
| 1090 | P | 37.7 | Very low | 34.9 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -148.5 | -179.4 | 94.9 | 39 | -21.1 | 0 | 0 | 0 | 115.8 | |||||
| 1091 | S | 32.4 | Very low | 34.9 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -86.7 | 163.2 | -173 | -36.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1092 | I | 36.8 | Very low | 34.8 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | 169.2 | 136.9 | 125.5 | -87.8 | 158 | 0 | 0 | 0 | 114.7 | |||||
| 1093 | S | 34.5 | Very low | 35 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | 56.5 | 111.3 | 158.1 | 69.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1094 | K | 33.9 | Very low | 35.4 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | 45.9 | 112.6 | 122.2 | -58.7 | -178.1 | 179.8 | -176.1 | 0 | 121 | |||||
| 1095 | N | 33.1 | Very low | 36.7 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | -158.3 | 168.7 | 127 | -132.2 | -53.7 | 0 | 0 | 0 | 112.5 | |||||
| 1096 | L | 31.1 | Very low | 38.5 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -84.8 | 139.9 | -172.7 | -60.8 | 83 | 0 | 0 | 0 | 113.5 | ||||
| 1097 | R | 35.5 | Very low | 40.2 | Very low | 234 Ų | 234 | 133.4 Ų | 133.4 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | 169.4 | 157.3 | 122.8 | -95.8 | 172.4 | 177.1 | -164.6 | -2.1 | 114 | |||||
| 1098 | S | 34.7 | Very low | 42 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 58.9 | 123.7 | 158.4 | 48.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1099 | S | 29.3 | Very low | 43.3 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 155.2 | 168 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1100 | S | 34.4 | Very low | 45.2 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -153 | 140.7 | 155.9 | -73.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1101 | P | 35.6 | Very low | 46.9 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -82 | 155.5 | -167.9 | 33 | -36.2 | 0 | 0 | 0 | 113.1 | ||||
| 1102 | L | 36.6 | Very low | 48.8 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | trans | -119.7 | 124.6 | 179.9 | -87.2 | 170.1 | 0 | 0 | 0 | 113.4 | ||||
| 1103 | S | 38.9 | Very low | 50.5 | Low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | 63.6 | 87.4 | 150.5 | -165 | 0 | 0 | 0 | 0 | 118.6 | D1105 | S1103-D1105 PolarHBondContact O-N 3.33Å; S1103-D1105 VanDerWaalsContact O-N 3.12Å | ||
| 1104 | S | 45.8 | Very low | 52.6 | Low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | trans | -69.3 | 93.2 | 161 | 54 | 0 | 0 | 0 | 0 | 112.1 | P1106 | S1104-P1106 WeakPolarHBondContact O-CD 3.44Š| ||
| 1105 | D | 64.2 | Low | 54.6 | Low | 74 Ų | 74 | 129.1 Ų | 129.1 | 40% | 0.396 | 68% | 0.684 | S | S | . | * | trans | -82.9 | 115.7 | 170.7 | -179.3 | -1.6 | 0 | 0 | 0 | 111.1 | S1103 N1107 R1108 L1109 | S1103-D1105 PolarHBondContact O-N 3.33Å; S1103-D1105 VanDerWaalsContact O-N 3.12Å; D1105-N1107 PolarHBondContact O-N 3Å; D1105-N1107 WeakPolarHBondContact OD1-CB 3.44Å; D1105-N1107 PolarHBondContact OD1-N 2.87Å; D1105-N1107 PolarHBondContact OD1-ND2 3.29Å; D1105-R1108 HydrophobicContact CB-CB 4.19Å; D1105-R1108 PolarHBondContact O-N 3.3Å; D1105-L1109 PolarHBondContact O-N 3Å | ||
| 1106 | P | 72.5 | Confident | 56.5 | Low | 85 Ų | 85 | 123.9 Ų | 123.9 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.5 | -19.8 | 179.5 | 28.7 | -36.1 | 0 | 0 | 0 | 113.6 | S1104 K1110 | S1104-P1106 WeakPolarHBondContact O-CD 3.44Å; P1106-K1110 WeakPolarHBondContact O-CG 3.49Å; P1106-K1110 PolarHBondContact O-N 3.04Å; P1106-K1110 VanDerWaalsContact O-N 3.12Å |
| 1107 | N | 72.3 | Confident | 58.5 | Low | 98 Ų | 98 | 124.7 Ų | 124.7 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -73.1 | -40.5 | 175.5 | -56.2 | -63.5 | 0 | 0 | 0 | 111 | D1105 L1109 K1110 E1111 | D1105-N1107 PolarHBondContact O-N 3Å; D1105-N1107 WeakPolarHBondContact OD1-CB 3.44Å; D1105-N1107 PolarHBondContact OD1-N 2.87Å; D1105-N1107 PolarHBondContact OD1-ND2 3.29Å; N1107-L1109 VanDerWaalsContact C-N 3.29Å; N1107-L1109 PolarHBondContact O-N 3.43Å; N1107-K1110 WeakPolarHBondContact O-CB 3.46Å; N1107-K1110 PolarHBondContact O-N 2.94Å; N1107-K1110 VanDerWaalsContact O-N 3.12Å; N1107-E1111 PolarHBondContact O-N 3.12Å |
| 1108 | R | 71.5 | Confident | 60.6 | Low | 204 Ų | 204 | 119.9 Ų | 119.9 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.9 | -36 | 175.4 | -161.2 | 173.4 | -175.8 | -124.6 | -2.6 | 111.7 | D1105 L1112 | D1105-R1108 HydrophobicContact CB-CB 4.19Å; D1105-R1108 PolarHBondContact O-N 3.3Å; R1108-L1112 WeakPolarHBondContact O-CB 3.34Å; R1108-L1112 PolarHBondContact O-N 2.98Å |
| 1109 | L | 65.6 | Low | 62.5 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 58% | 0.581 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.7 | -36.9 | 172.8 | -172.5 | 65.2 | 0 | 0 | 0 | 112.8 | D1105 N1107 H1113 | D1105-L1109 PolarHBondContact O-N 3Å; N1107-L1109 VanDerWaalsContact C-N 3.29Å; N1107-L1109 PolarHBondContact O-N 3.43Å; L1109-H1113 WeakPolarHBondContact O-CB 3.43Å; L1109-H1113 PolarHBondContact O-N 2.95Å |
| 1110 | K | 73.1 | Confident | 64 | Low | 146 Ų | 146 | 116 Ų | 116 | 64% | 0.635 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.1 | -43.4 | 173.4 | -76.3 | 173 | -178.4 | 174.7 | 0 | 112.2 | P1106 N1107 H1113 L1114 | P1106-K1110 WeakPolarHBondContact O-CG 3.49Å; P1106-K1110 PolarHBondContact O-N 3.04Å; P1106-K1110 VanDerWaalsContact O-N 3.12Å; N1107-K1110 WeakPolarHBondContact O-CB 3.46Å; N1107-K1110 PolarHBondContact O-N 2.94Å; N1107-K1110 VanDerWaalsContact O-N 3.12Å; K1110-H1113 WeakPolarHBondContact O-CB 3.48Å; K1110-H1113 PolarHBondContact O-N 2.74Å; K1110-L1114 PolarHBondContact O-N 3.49Å |
| 1111 | E | 73.8 | Confident | 65.4 | Low | 98 Ų | 98 | 115.3 Ų | 115.3 | 46% | 0.458 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.6 | -38 | 177.9 | -165.2 | -178.4 | 138.7 | 0 | 0 | 111.7 | N1107 H1113 L1114 R1115 | N1107-E1111 PolarHBondContact O-N 3.12Å; E1111-H1113 VanDerWaalsContact C-N 3.31Å; E1111-H1113 PolarHBondContact O-N 2.94Å; E1111-L1114 WeakPolarHBondContact O-CB 3.15Å; E1111-L1114 PolarHBondContact O-N 2.7Å; E1111-L1114 VanDerWaalsContact O-N 3.11Å; E1111-R1115 WeakPolarHBondContact O-CG 3.31Å; E1111-R1115 PolarHBondContact O-N 2.96Å; E1111-R1115 IonicContact OE1-CZ 2.83Å; E1111-R1115 VanDerWaalsContact OE1-CZ 3.23Å; E1111-R1115 IonicContact OE1-NE 2.78Å; E1111-R1115 PolarHBondContact OE1-NE 3.49Å; E1111-R1115 IonicContact OE1-NH2 2.64Å; E1111-R1115 PolarHBondContact OE1-NH2 3.32Å |
| 1112 | L | 71.4 | Confident | 66.4 | Low | 80 Ų | 80 | 115.5 Ų | 115.5 | 42% | 0.419 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.1 | -44.1 | 171.2 | -160.4 | 79.3 | 0 | 0 | 0 | 111 | R1108 L1114 R1115 N1116 V1129 | R1108-L1112 WeakPolarHBondContact O-CB 3.34Å; R1108-L1112 PolarHBondContact O-N 2.98Å; L1112-L1114 VanDerWaalsContact C-N 3.32Å; L1112-L1114 PolarHBondContact O-N 2.87Å; L1112-R1115 PolarHBondContact O-N 3.49Å; L1112-N1116 VanDerWaalsContact O-CB 3.27Å; L1112-N1116 WeakPolarHBondContact O-CB 3.37Å; L1112-N1116 PolarHBondContact O-N 2.65Å; L1112-N1116 PolarHBondContact O-OD1 2.95Å; L1112-V1129 HydrophobicContact CD2-CG1 4.27Å |
| 1113 | H | 73.1 | Confident | 67.6 | Low | 134 Ų | 134 | 110.7 Ų | 110.7 | 62% | 0.62 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.6 | -38.1 | 173 | -110.7 | 96.9 | 0 | 0 | 0 | 113.2 | L1109 K1110 E1111 R1117 | L1109-H1113 WeakPolarHBondContact O-CB 3.43Å; L1109-H1113 PolarHBondContact O-N 2.95Å; K1110-H1113 WeakPolarHBondContact O-CB 3.48Å; K1110-H1113 PolarHBondContact O-N 2.74Å; E1111-H1113 VanDerWaalsContact C-N 3.31Å; E1111-H1113 PolarHBondContact O-N 2.94Å; H1113-R1117 WeakPolarHBondContact O-CB 3.47Å; H1113-R1117 PolarHBondContact O-N 3.22Å |
| 1114 | L | 77.4 | Confident | 68.6 | Low | 107 Ų | 107 | 112.5 Ų | 112.5 | 56% | 0.56 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.4 | -48.1 | 179 | -170.8 | 66.5 | 0 | 0 | 0 | 111 | K1110 E1111 L1112 N1116 R1117 L1118 | K1110-L1114 PolarHBondContact O-N 3.49Å; E1111-L1114 WeakPolarHBondContact O-CB 3.15Å; E1111-L1114 PolarHBondContact O-N 2.7Å; E1111-L1114 VanDerWaalsContact O-N 3.11Å; L1112-L1114 VanDerWaalsContact C-N 3.32Å; L1112-L1114 PolarHBondContact O-N 2.87Å; L1114-N1116 VanDerWaalsContact C-N 3.34Å; L1114-N1116 PolarHBondContact O-N 3.05Å; L1114-R1117 CarbonylContact O-C 3.57Å; L1114-R1117 PolarHBondContact O-N 3.33Å; L1114-L1118 HydrophobicContact CG-CD1 4.23Å; L1114-L1118 WeakPolarHBondContact O-CG 3.46Å; L1114-L1118 PolarHBondContact O-N 3.35Å |
| 1115 | R | 77.1 | Confident | 68.8 | Low | 160 Ų | 160 | 111.7 Ų | 111.7 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58 | -46.1 | 173.6 | -68.1 | 178.1 | -176.3 | -133.2 | 2.4 | 111 | E1111 L1112 R1117 L1118 Q1119 | E1111-R1115 WeakPolarHBondContact O-CG 3.31Å; E1111-R1115 PolarHBondContact O-N 2.96Å; E1111-R1115 IonicContact OE1-CZ 2.83Å; E1111-R1115 VanDerWaalsContact OE1-CZ 3.23Å; E1111-R1115 IonicContact OE1-NE 2.78Å; E1111-R1115 PolarHBondContact OE1-NE 3.49Å; E1111-R1115 IonicContact OE1-NH2 2.64Å; E1111-R1115 PolarHBondContact OE1-NH2 3.32Å; L1112-R1115 PolarHBondContact O-N 3.49Å; R1115-R1117 PolarHBondContact O-N 3.07Å; R1115-L1118 PolarHBondContact O-N 2.76Å; R1115-Q1119 PolarHBondContact O-N 2.91Å; R1115-Q1119 VanDerWaalsContact O-N 3.15Å |
| 1116 | N | 71.7 | Confident | 67.7 | Low | 46 Ų | 46 | 111.2 Ų | 111.2 | 25% | 0.246 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -67.7 | -14.2 | 176.3 | -66 | 5.9 | 0 | 0 | 0 | 113.7 | L1112 L1114 R1124 | L1112-N1116 VanDerWaalsContact O-CB 3.27Å; L1112-N1116 WeakPolarHBondContact O-CB 3.37Å; L1112-N1116 PolarHBondContact O-N 2.65Å; L1112-N1116 PolarHBondContact O-OD1 2.95Å; L1114-N1116 VanDerWaalsContact C-N 3.34Å; L1114-N1116 PolarHBondContact O-N 3.05Å; N1116-R1124 VanDerWaalsContact O-CZ 3.25Å; N1116-R1124 PolarHBondContact O-NE 2.91Å; N1116-R1124 PolarHBondContact O-NH2 3.39Å |
| 1117 | R | 74.1 | Confident | 66.1 | Low | 169 Ų | 169 | 115.8 Ų | 115.8 | 64% | 0.638 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -96.4 | -12 | 172.6 | -162.2 | 167.5 | -179 | 152.4 | 4.6 | 112.9 | D356 H1113 L1114 R1115 | D356-R1117 IonicContact OD1-CZ 3.18Å; D356-R1117 IonicContact OD1-NH2 2.87Å; D356-R1117 PolarHBondContact OD1-NH2 2.84Å; H1113-R1117 WeakPolarHBondContact O-CB 3.47Å; H1113-R1117 PolarHBondContact O-N 3.22Å; L1114-R1117 CarbonylContact O-C 3.57Å; L1114-R1117 PolarHBondContact O-N 3.33Å; R1115-R1117 PolarHBondContact O-N 3.07Å |
| 1118 | L | 79.5 | Confident | 64.8 | Low | 133 Ų | 133 | 114.9 Ų | 114.9 | 70% | 0.696 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -97.1 | -18.3 | 175.6 | -69 | 169.4 | 0 | 0 | 0 | 113.8 | L1114 R1115 | L1114-L1118 HydrophobicContact CG-CD1 4.23Å; L1114-L1118 WeakPolarHBondContact O-CG 3.46Å; L1114-L1118 PolarHBondContact O-N 3.35Å; R1115-L1118 PolarHBondContact O-N 2.76Å |
| 1119 | Q | 74 | Confident | 63.4 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -68.7 | 135.3 | 174.6 | -79.1 | -176 | -43.4 | 0 | 0 | 112.6 | R1115 R1124 | R1115-Q1119 PolarHBondContact O-N 2.91Å; R1115-Q1119 VanDerWaalsContact O-N 3.15Å; Q1119-R1124 HydrophobicContact CB-CG 4.19Å; Q1119-R1124 WeakPolarHBondContact O-CD 3.46Å |
| 1120 | P | 61.2 | Low | 62.2 | Low | 63 Ų | 63 | 110.3 Ų | 110.3 | 41% | 0.409 | 54% | 0.544 | S | S | . | . | trans | -51.2 | 149.3 | 170.1 | -29.6 | 35 | 0 | 0 | 0 | 114.3 | H1122 L1123 R1124 | P1120-H1122 VanDerWaalsContact C-N 3.25Å; P1120-H1122 VanDerWaalsContact CB-CE1 3.42Å; P1120-H1122 WeakPolarHBondContact CB-CE1 3.35Å; P1120-H1122 PolarHBondContact O-N 3.41Å; P1120-L1123 PolarHBondContact O-N 3.23Å; P1120-R1124 PolarHBondContact O-N 2.94Å; P1120-R1124 VanDerWaalsContact O-N 3.14Å | ||
| 1121 | S | 64.6 | Low | 60.7 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -55.9 | -35.1 | -176.8 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | L1123 R1124 | S1121-L1123 VanDerWaalsContact C-N 3.33Å; S1121-L1123 PolarHBondContact O-N 3.1Å; S1121-R1124 PolarHBondContact O-N 3.42Å |
| 1122 | H | 56.9 | Low | 59.2 | Low | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.606 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.1 | -14.7 | 178.5 | 58 | -100.6 | 0 | 0 | 0 | 114.3 | P1120 S1126 | P1120-H1122 VanDerWaalsContact C-N 3.25Å; P1120-H1122 VanDerWaalsContact CB-CE1 3.42Å; P1120-H1122 WeakPolarHBondContact CB-CE1 3.35Å; P1120-H1122 PolarHBondContact O-N 3.41Å; H1122-S1126 PolarHBondContact O-OG 3.26Å |
| 1123 | L | 60.6 | Low | 57.3 | Low | 71 Ų | 71 | 115 Ų | 115 | 37% | 0.372 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -93.5 | -24.9 | 170.3 | -67.1 | 177.8 | 0 | 0 | 0 | 112.2 | P1120 S1121 S1125 S1126 | P1120-L1123 PolarHBondContact O-N 3.23Å; S1121-L1123 VanDerWaalsContact C-N 3.33Å; S1121-L1123 PolarHBondContact O-N 3.1Å; L1123-S1125 PolarHBondContact O-N 3.32Å; L1123-S1126 PolarHBondContact O-OG 2.89Å |
| 1124 | R | 60.3 | Low | 55.7 | Low | 146 Ų | 146 | 114.1 Ų | 114.1 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.1 | -19 | 176.1 | -71.9 | 173 | 127.2 | -153 | -6.5 | 114.1 | N1116 Q1119 P1120 S1121 | N1116-R1124 VanDerWaalsContact O-CZ 3.25Å; N1116-R1124 PolarHBondContact O-NE 2.91Å; N1116-R1124 PolarHBondContact O-NH2 3.39Å; Q1119-R1124 HydrophobicContact CB-CG 4.19Å; Q1119-R1124 WeakPolarHBondContact O-CD 3.46Å; P1120-R1124 PolarHBondContact O-N 2.94Å; P1120-R1124 VanDerWaalsContact O-N 3.14Å; S1121-R1124 PolarHBondContact O-N 3.42Å |
| 1125 | S | 49.8 | Very low | 54 | Low | 105 Ų | 105 | 112.9 Ų | 112.9 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -8.2 | -178.7 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | L1123 | L1123-S1125 PolarHBondContact O-N 3.32Š|
| 1126 | S | 41.9 | Very low | 52.7 | Low | 63 Ų | 63 | 109.6 Ų | 109.6 | 44% | 0.441 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.7 | -1.8 | -165.7 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | H1122 L1123 | H1122-S1126 PolarHBondContact O-OG 3.26Å; L1123-S1126 PolarHBondContact O-OG 2.89Å |
| 1127 | Y | 38.9 | Very low | 52 | Low | 181 Ų | 181 | 112.7 Ų | 112.7 | 71% | 0.71 | 60% | 0.596 | S | S | * | * | trans | -130.7 | 120.3 | 172.5 | -85.9 | -87.8 | 0 | 0 | 0 | 111.1 | V1129 | Y1127-V1129 PolarHBondContact O-N 3.49Š| ||
| 1128 | P | 44 | Very low | 51.2 | Low | 80 Ų | 80 | 108.6 Ų | 108.6 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | trans | -62.5 | 118.7 | 162.2 | -17.3 | 31.2 | 0 | 0 | 0 | 109 | E1130 | P1128-E1130 PolarHBondContact O-N 3.5Š| ||
| 1129 | V | 42.3 | Very low | 50 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | trans | -65 | 129.1 | 170.4 | 175.1 | 0 | 0 | 0 | 0 | 108 | L1112 Y1127 T1131 | L1112-V1129 HydrophobicContact CD2-CG1 4.27Å; Y1127-V1129 PolarHBondContact O-N 3.49Å; V1129-T1131 VanDerWaalsContact C-N 3.35Å; V1129-T1131 PolarHBondContact O-N 2.91Å | ||
| 1130 | E | 39.8 | Very low | 49.4 | Very low | 151 Ų | 151 | 106.5 Ų | 106.5 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | trans | -58.7 | 89.2 | 179.1 | -69.7 | -175.9 | -156.9 | 0 | 0 | 112.6 | P1128 Q1132 | P1128-E1130 PolarHBondContact O-N 3.5Å; E1130-Q1132 HydrophobicContact CB-CG 4.21Å; E1130-Q1132 PolarHBondContact O-N 2.91Å; E1130-Q1132 PolarHBondContact OE2-NE2 3.36Å | ||
| 1131 | T | 41.7 | Very low | 49.5 | Very low | 130 Ų | 130 | 104.7 Ų | 104.7 | 80% | 0.798 | 57% | 0.573 | S | S | * | * | trans | -77.4 | 68 | 164.9 | 43.1 | 0 | 0 | 0 | 0 | 109.5 | V1129 V1133 | V1129-T1131 VanDerWaalsContact C-N 3.35Å; V1129-T1131 PolarHBondContact O-N 2.91Å; T1131-V1133 PolarHBondContact O-N 3.14Å | ||
| 1132 | Q | 42.5 | Very low | 49 | Very low | 146 Ų | 146 | 103.5 Ų | 103.5 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | trans | -50.5 | 129.9 | 173.6 | -63.1 | -171.3 | 3.2 | 0 | 0 | 109.7 | E1130 I1134 | E1130-Q1132 HydrophobicContact CB-CG 4.21Å; E1130-Q1132 PolarHBondContact O-N 2.91Å; E1130-Q1132 PolarHBondContact OE2-NE2 3.36Å; Q1132-I1134 PolarHBondContact O-N 2.91Å | ||
| 1133 | V | 32.2 | Very low | 48.5 | Very low | 146 Ų | 146 | 101.9 Ų | 101.9 | 89% | 0.885 | 56% | 0.557 | S | S | * | * | trans | -52.2 | 104.5 | -153.8 | -173.4 | 0 | 0 | 0 | 0 | 113.9 | T1131 | T1131-V1133 PolarHBondContact O-N 3.14Š| ||
| 1134 | I | 38.9 | Very low | 48.2 | Very low | 115 Ų | 115 | 101.5 Ų | 101.5 | 59% | 0.59 | 56% | 0.561 | S | S | * | * | trans | -104.5 | 127.2 | 159 | -63.1 | 178.1 | 0 | 0 | 0 | 106.8 | Q1132 D1138 I1139 | Q1132-I1134 PolarHBondContact O-N 2.91Å; I1134-D1138 HydrophobicContact CG2-CB 3.79Å; I1134-I1139 HydrophobicContact CG2-CG1 4.01Å | ||
| 1135 | N | 42.5 | Very low | 47.8 | Very low | 81 Ų | 81 | 101 Ų | 101 | 43% | 0.433 | 57% | 0.565 | S | S | . | * | trans | -59.8 | 139.1 | -175.8 | -174.7 | -25.7 | 0 | 0 | 0 | 110.3 | N1137 D1138 I1139 | N1135-N1137 PolarHBondContact O-N 3.45Å; N1135-N1137 PolarHBondContact OD1-N 2.91Å; N1135-N1137 PolarHBondContact OD1-ND2 3.14Å; N1135-D1138 HydrophobicContact CB-CB 4.31Å; N1135-D1138 VanDerWaalsContact CB-OD2 3.31Å; N1135-D1138 WeakPolarHBondContact CB-OD2 3.18Å; N1135-D1138 WeakPolarHBondContact O-CA 3.48Å; N1135-D1138 WeakPolarHBondContact O-CB 3.13Å; N1135-D1138 PolarHBondContact O-N 3.33Å; N1135-I1139 PolarHBondContact O-N 2.98Å; N1135-I1139 VanDerWaalsContact O-N 3.15Å | ||
| 1136 | S | 49.8 | Very low | 47.4 | Very low | 91 Ų | 91 | 102.2 Ų | 102.2 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -52.9 | -32.4 | 177 | -44.1 | 0 | 0 | 0 | 0 | 112.4 | I1139 V1140 | S1136-I1139 PolarHBondContact O-N 3.23Å; S1136-V1140 WeakPolarHBondContact O-CG2 3.38Å; S1136-V1140 PolarHBondContact O-N 2.86Å |
| 1137 | N | 57.3 | Low | 47.5 | Very low | 112 Ų | 112 | 104.6 Ų | 104.6 | 60% | 0.599 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.7 | -34.2 | 174.7 | -63 | -68.9 | 0 | 0 | 0 | 113.3 | N1135 I1139 V1140 G1141 | N1135-N1137 PolarHBondContact O-N 3.45Å; N1135-N1137 PolarHBondContact OD1-N 2.91Å; N1135-N1137 PolarHBondContact OD1-ND2 3.14Å; N1137-I1139 VanDerWaalsContact C-N 3.32Å; N1137-V1140 PolarHBondContact O-N 2.62Å; N1137-G1141 PolarHBondContact O-N 3.13Å |
| 1138 | D | 57.1 | Low | 47.5 | Very low | 82 Ų | 82 | 100.9 Ų | 100.9 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.9 | -31.9 | 176.3 | -61.8 | -24.7 | 0 | 0 | 0 | 110.7 | I1134 N1135 G1141 T1142 | I1134-D1138 HydrophobicContact CG2-CB 3.79Å; N1135-D1138 HydrophobicContact CB-CB 4.31Å; N1135-D1138 VanDerWaalsContact CB-OD2 3.31Å; N1135-D1138 WeakPolarHBondContact CB-OD2 3.18Å; N1135-D1138 WeakPolarHBondContact O-CA 3.48Å; N1135-D1138 WeakPolarHBondContact O-CB 3.13Å; N1135-D1138 PolarHBondContact O-N 3.33Å; D1138-G1141 PolarHBondContact O-N 3.44Å; D1138-T1142 WeakPolarHBondContact O-CB 3.35Å; D1138-T1142 PolarHBondContact O-N 3.01Å; D1138-T1142 PolarHBondContact O-OG1 3.43Å |
| 1139 | I | 52.9 | Low | 47 | Very low | 89 Ų | 89 | 104.4 Ų | 104.4 | 46% | 0.456 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.1 | -47 | 171.9 | -61.9 | 176.9 | 0 | 0 | 0 | 110.5 | I1134 N1135 S1136 N1137 G1141 T1142 L1143 | I1134-I1139 HydrophobicContact CG2-CG1 4.01Å; N1135-I1139 PolarHBondContact O-N 2.98Å; N1135-I1139 VanDerWaalsContact O-N 3.15Å; S1136-I1139 PolarHBondContact O-N 3.23Å; N1137-I1139 VanDerWaalsContact C-N 3.32Å; I1139-G1141 VanDerWaalsContact C-N 3.33Å; I1139-G1141 PolarHBondContact O-N 2.7Å; I1139-T1142 PolarHBondContact O-N 3.4Å; I1139-L1143 HydrophobicContact CG2-CD1 4.01Å; I1139-L1143 WeakPolarHBondContact O-CB 3.23Å; I1139-L1143 WeakPolarHBondContact O-CG 3.38Å; I1139-L1143 PolarHBondContact O-N 3.42Å |
| 1140 | V | 62.1 | Low | 46.7 | Very low | 88 Ų | 88 | 108.3 Ų | 108.3 | 53% | 0.533 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.6 | -31.1 | 175.8 | 102.6 | 0 | 0 | 0 | 0 | 112.3 | S1136 N1137 S1144 | S1136-V1140 WeakPolarHBondContact O-CG2 3.38Å; S1136-V1140 PolarHBondContact O-N 2.86Å; N1137-V1140 PolarHBondContact O-N 2.62Å; V1140-S1144 VanDerWaalsContact O-CB 3.28Å; V1140-S1144 WeakPolarHBondContact O-CB 3.47Å; V1140-S1144 PolarHBondContact O-N 2.86Å; V1140-S1144 PolarHBondContact O-OG 2.88Å |
| 1141 | G | 63.5 | Low | 46.6 | Very low | 25 Ų | 25 | 107.6 Ų | 107.6 | 26% | 0.258 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.3 | -44.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1137 D1138 I1139 S1144 Q1145 | N1137-G1141 PolarHBondContact O-N 3.13Å; D1138-G1141 PolarHBondContact O-N 3.44Å; I1139-G1141 VanDerWaalsContact C-N 3.33Å; I1139-G1141 PolarHBondContact O-N 2.7Å; G1141-S1144 PolarHBondContact O-N 2.9Å; G1141-Q1145 WeakPolarHBondContact O-CG 3.33Å; G1141-Q1145 PolarHBondContact O-N 3.49Å |
| 1142 | T | 53.9 | Low | 46.3 | Very low | 72 Ų | 72 | 108.3 Ų | 108.3 | 44% | 0.442 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.3 | -39.5 | 178.9 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | D1138 I1139 S1144 Q1145 M1146 | D1138-T1142 WeakPolarHBondContact O-CB 3.35Å; D1138-T1142 PolarHBondContact O-N 3.01Å; D1138-T1142 PolarHBondContact O-OG1 3.43Å; I1139-T1142 PolarHBondContact O-N 3.4Å; T1142-S1144 VanDerWaalsContact C-N 3.33Å; T1142-S1144 PolarHBondContact O-N 2.75Å; T1142-Q1145 PolarHBondContact O-N 3.1Å; T1142-M1146 HydrophobicContact CG2-CE 4.22Å; T1142-M1146 WeakPolarHBondContact O-CB 3.48Å; T1142-M1146 WeakPolarHBondContact O-CG 3.43Å; T1142-M1146 PolarHBondContact O-N 2.96Å |
| 1143 | L | 45.9 | Very low | 46.1 | Very low | 97 Ų | 97 | 109.6 Ų | 109.6 | 51% | 0.508 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.6 | -36.4 | 171.7 | -79.2 | 163.7 | 0 | 0 | 0 | 112.6 | I1139 M1146 T1147 | I1139-L1143 HydrophobicContact CG2-CD1 4.01Å; I1139-L1143 WeakPolarHBondContact O-CB 3.23Å; I1139-L1143 WeakPolarHBondContact O-CG 3.38Å; I1139-L1143 PolarHBondContact O-N 3.42Å; L1143-M1146 HydrophobicContact CD2-CE 3.92Å; L1143-M1146 HydrophobicContact CG-CE 4.32Å; L1143-T1147 PolarHBondContact O-N 3.36Å; L1143-T1147 PolarHBondContact O-OG1 2.9Å |
| 1144 | S | 55.2 | Low | 46.2 | Very low | 64 Ų | 64 | 108.2 Ų | 108.2 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.3 | -33.8 | 175.3 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | V1140 G1141 T1142 T1147 T1148 | V1140-S1144 VanDerWaalsContact O-CB 3.28Å; V1140-S1144 WeakPolarHBondContact O-CB 3.47Å; V1140-S1144 PolarHBondContact O-N 2.86Å; V1140-S1144 PolarHBondContact O-OG 2.88Å; G1141-S1144 PolarHBondContact O-N 2.9Å; T1142-S1144 VanDerWaalsContact C-N 3.33Å; T1142-S1144 PolarHBondContact O-N 2.75Å; S1144-T1147 WeakPolarHBondContact CA-OG1 3.18Å; S1144-T1147 PolarHBondContact O-N 3.43Å; S1144-T1147 PolarHBondContact O-OG1 3.39Å; S1144-T1148 PolarHBondContact O-OG1 2.98Å |
| 1145 | Q | 52.4 | Low | 45.9 | Very low | 135 Ų | 135 | 108.4 Ų | 108.4 | 63% | 0.631 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.2 | -45.1 | 173.5 | -71.6 | 172.3 | 37.1 | 0 | 0 | 111.1 | G1141 T1142 T1147 T1148 | G1141-Q1145 WeakPolarHBondContact O-CG 3.33Å; G1141-Q1145 PolarHBondContact O-N 3.49Å; T1142-Q1145 PolarHBondContact O-N 3.1Å; Q1145-T1147 PolarHBondContact O-N 2.98Å; Q1145-T1148 PolarHBondContact O-N 2.92Å |
| 1146 | M | 40.2 | Very low | 45.6 | Very low | 131 Ų | 131 | 111.5 Ų | 111.5 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -6.3 | 174.2 | -70.8 | -170.8 | -62.6 | 0 | 0 | 114.6 | T1142 L1143 | T1142-M1146 HydrophobicContact CG2-CE 4.22Å; T1142-M1146 WeakPolarHBondContact O-CB 3.48Å; T1142-M1146 WeakPolarHBondContact O-CG 3.43Å; T1142-M1146 PolarHBondContact O-N 2.96Å; L1143-M1146 HydrophobicContact CD2-CE 3.92Å; L1143-M1146 HydrophobicContact CG-CE 4.32Å |
| 1147 | T | 45.1 | Very low | 44.8 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 69% | 0.693 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 3.4 | 173.3 | 42.9 | 0 | 0 | 0 | 0 | 114.1 | L1143 S1144 Q1145 | L1143-T1147 PolarHBondContact O-N 3.36Å; L1143-T1147 PolarHBondContact O-OG1 2.9Å; S1144-T1147 WeakPolarHBondContact CA-OG1 3.18Å; S1144-T1147 PolarHBondContact O-N 3.43Å; S1144-T1147 PolarHBondContact O-OG1 3.39Å; Q1145-T1147 PolarHBondContact O-N 2.98Å |
| 1148 | T | 37.5 | Very low | 43.6 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | trans | -131.8 | 27.6 | -176.9 | 55.8 | 0 | 0 | 0 | 0 | 115.9 | S1144 Q1145 N1150 | S1144-T1148 PolarHBondContact O-OG1 2.98Å; Q1145-T1148 PolarHBondContact O-N 2.92Å; T1148-N1150 VanDerWaalsContact C-N 3.29Å; T1148-N1150 PolarHBondContact O-N 3.28Å | ||
| 1149 | D | 34.8 | Very low | 42.4 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 82% | 0.824 | 67% | 0.673 | S | S | * | * | trans | -78.5 | 68 | 168.8 | -89.8 | -34 | 0 | 0 | 0 | 113.2 | ||||
| 1150 | N | 36.1 | Very low | 41.4 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | trans | -159.7 | 152.4 | 154.5 | -128.7 | -43.6 | 0 | 0 | 0 | 113.9 | T1148 | T1148-N1150 VanDerWaalsContact C-N 3.29Å; T1148-N1150 PolarHBondContact O-N 3.28Å | ||
| 1151 | V | 36.3 | Very low | 40 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | 67.9 | 99.6 | -177.6 | -168.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1152 | N | 36 | Very low | 38.4 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | -81.5 | 163.1 | 174 | -101.6 | -76.7 | 0 | 0 | 0 | 113.7 | ||||
| 1153 | Q | 38.2 | Very low | 37.6 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | 80.1 | 126.3 | 155.2 | -71.8 | 169.1 | 38.7 | 0 | 0 | 122.6 | ||||
| 1154 | S | 34 | Very low | 37.1 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 89.9 | 117.6 | 147.1 | 78.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1155 | P | 33.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -103.2 | 125.7 | 176.2 | 35.8 | -29.9 | 0 | 0 | 0 | 113.8 | ||||
| 1156 | N | 36.5 | Very low | 35.3 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -159.2 | 123.1 | 151.6 | -97.4 | -66.9 | 0 | 0 | 0 | 107.9 | ||||
| 1157 | R | 31.6 | Very low | 35.1 | Very low | 221 Ų | 221 | 150.9 Ų | 150.9 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | 78.4 | 138.8 | 72.8 | -156.6 | -173.1 | -167.3 | -168.8 | 5.5 | 112.6 | |||||
| 1158 | I | 32.9 | Very low | 34.7 | Very low | 147 Ų | 147 | 151 Ų | 151 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 93.7 | 88.5 | 168.8 | -48.8 | -178.6 | 0 | 0 | 0 | 117.7 | ||||
| 1159 | R | 32.3 | Very low | 34.7 | Very low | 238 Ų | 238 | 152.6 Ų | 152.6 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | 61.8 | 131.7 | 120.2 | -169.8 | 178.8 | -77.6 | -176.8 | -5.8 | 121 | |||||
| 1160 | A | 31 | Very low | 34.8 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 143.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1161 | S | 33.6 | Very low | 35 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | -165.5 | 149.8 | 147.3 | -168.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1162 | G | 29.2 | Very low | 35.1 | Very low | 58 Ų | 58 | 149.5 Ų | 149.5 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | cis | 129.1 | 89.1 | -2.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1163 | R | 37.2 | Very low | 35.1 | Very low | 261 Ų | 261 | 150.1 Ų | 150.1 | 99% | 0.985 | 75% | 0.751 | S | S | * | * | trans | 156.7 | 163.3 | 148.8 | -87.6 | 165.4 | -174.5 | -140 | 0.5 | 113.5 | ||||
| 1164 | K | 34.9 | Very low | 34.9 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | trans | -83 | -169 | -175.2 | -58.4 | 175.2 | 172.9 | 178.9 | 0 | 113.4 | ||||
| 1165 | M | 35 | Very low | 35.1 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | 97.3 | 143.1 | 165.4 | -51.3 | -46 | -140.4 | 0 | 0 | 114.1 | ||||
| 1166 | H | 35.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | cis | -168.5 | 147.2 | -10.4 | -120.3 | -33.4 | 0 | 0 | 0 | 110.7 | ||||
| 1167 | R | 36.4 | Very low | 35.6 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 75% | 0.751 | 75% | 0.748 | S | S | * | * | trans | 64.3 | 165.3 | 145.2 | -73.8 | -177.4 | 159.2 | 151.4 | -5.2 | 117.7 | ||||
| 1168 | N | 37 | Very low | 35.5 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | cis | -158.1 | 163.2 | -3.3 | -123.8 | 8.9 | 0 | 0 | 0 | 112 | ||||
| 1169 | N | 36.3 | Very low | 35.5 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | 68.1 | 150.7 | 147 | -68.2 | 9.3 | 0 | 0 | 0 | 121.6 | ||||
| 1170 | S | 36.5 | Very low | 35.6 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 54% | 0.538 | 73% | 0.731 | S | S | . | * | cis | -175.1 | 158.5 | -19.7 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1171 | H | 41.8 | Very low | 35.4 | Very low | 156 Ų | 156 | 136 Ų | 136 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | 69.8 | 150.2 | 154.3 | -63 | -46.5 | 0 | 0 | 0 | 119.5 | ||||
| 1172 | H | 38.2 | Very low | 35.4 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | cis | -145.4 | 142.4 | -2.1 | -107.3 | -50.4 | 0 | 0 | 0 | 109.3 | ||||
| 1173 | K | 34.7 | Very low | 35.5 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | 57.3 | 142.6 | 99.1 | -75.6 | -163.9 | 155.8 | -154.6 | 0 | 116.1 | |||||
| 1174 | E | 35.3 | Very low | 36 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | cis | -157.3 | -166.4 | 12.2 | -122.3 | 173.1 | 178.4 | 0 | 0 | 113.5 | ||||
| 1175 | P | 37.4 | Very low | 35.8 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | -127.3 | -174.7 | -142.8 | 35.1 | -9.5 | 0 | 0 | 0 | 117.5 | ||||
| 1176 | P | 43.5 | Very low | 35.5 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | trans | -110.1 | 160.5 | -170 | 40.3 | -34 | 0 | 0 | 0 | 117.8 | ||||
| 1177 | V | 37.2 | Very low | 35.3 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | trans | -164.7 | 161.2 | 171.5 | -86.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1178 | S | 30.7 | Very low | 35 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | cis | -178.1 | 169.1 | -21.3 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1179 | N | 32.3 | Very low | 35 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | trans | 73.3 | 151.7 | 153.3 | -66.6 | -9.7 | 0 | 0 | 0 | 119.3 | ||||
| 1180 | V | 33.2 | Very low | 35 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | cis | -168.3 | 158.1 | -10.9 | 125.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1181 | S | 28.4 | Very low | 34.7 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | trans | 79.9 | 113.8 | 152.3 | 174.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1182 | N | 32.2 | Very low | 34 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | 48.5 | 153.1 | 112.6 | -33.9 | -36 | 0 | 0 | 0 | 121.2 | |||||
| 1183 | N | 31.2 | Very low | 33.7 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | cis | -161.8 | 164 | 6.4 | -131.4 | 6.8 | 0 | 0 | 0 | 111.8 | ||||
| 1184 | P | 48 | Very low | 33.4 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -105.7 | 166.3 | -176.5 | 40.1 | -34.7 | 0 | 0 | 0 | 115.9 | ||||
| 1185 | T | 31.9 | Very low | 33.2 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -171 | 107.2 | 161.3 | -71 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1186 | A | 28.7 | Very low | 33 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 70.5 | 113.2 | 60.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1187 | R | 29.8 | Very low | 32.6 | Very low | 240 Ų | 240 | 130.3 Ų | 130.3 | 91% | 0.906 | 75% | 0.747 | S | S | * | * | trans | 178.8 | 140.9 | 142.4 | -107 | 168.9 | -174.7 | -156 | -0.9 | 118.2 | ||||
| 1188 | T | 30.4 | Very low | 32.4 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | 83.1 | 105.6 | 146.8 | -48.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1189 | V | 38 | Very low | 32.5 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | -95.8 | 163.9 | 149 | -136.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1190 | P | 36.4 | Very low | 32.3 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | -164.3 | 176.6 | 80.2 | 41.9 | -20 | 0 | 0 | 0 | 119.9 | |||||
| 1191 | S | 28.5 | Very low | 32.1 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | 66.4 | 158.4 | 148.3 | 59.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1192 | S | 27.9 | Very low | 32.2 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | cis | -173.3 | 163.5 | 9.5 | 23.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1193 | L | 31.2 | Very low | 32.1 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | cis | -165.3 | 148.9 | -9.2 | -92.7 | 164.9 | 0 | 0 | 0 | 106.1 | ||||
| 1194 | S | 28.9 | Very low | 32 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | 57.6 | 138.9 | 81.9 | 119 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1195 | N | 30.7 | Very low | 31.3 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | cis | -168.5 | 178.1 | 4.3 | -116.5 | 15.8 | 0 | 0 | 0 | 114.2 | ||||
| 1196 | D | 34.9 | Very low | 31.2 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | -57.9 | 169.1 | 180 | -52.7 | -80.4 | 0 | 0 | 0 | 118.8 | ||||
| 1197 | Y | 34 | Very low | 31.5 | Very low | 207 Ų | 207 | 135.7 Ų | 135.7 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -127.1 | 108 | 153.5 | -103.5 | -108.2 | 0 | 0 | 0 | 114.6 | ||||
| 1198 | Q | 33.7 | Very low | 31.6 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 58% | 0.579 | 69% | 0.691 | S | S | * | * | trans | 78.8 | 110 | 137.4 | -65.3 | -167.3 | 27.8 | 0 | 0 | 123.6 | ||||
| 1199 | K | 33.2 | Very low | 31.5 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | 95 | 116.6 | 111.2 | -76.8 | -179.5 | -173.7 | 158.5 | 0 | 122.1 | |||||
| 1200 | N | 28 | Very low | 31.2 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | 78.1 | 98.5 | 119.2 | -64.6 | 14.3 | 0 | 0 | 0 | 121.9 | |||||
| 1201 | S | 28.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | 95.4 | 145.4 | 101 | 78 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1202 | H | 30 | Very low | 31 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 75% | 0.75 | 69% | 0.685 | S | S | * | * | trans | 76.9 | 145.6 | 147.3 | -66.7 | -29.3 | 0 | 0 | 0 | 120.1 | ||||
| 1203 | I | 30.2 | Very low | 31 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | cis | -163.5 | 154.7 | -30.4 | -140.1 | 179.8 | 0 | 0 | 0 | 111.3 | ||||
| 1204 | K | 29.6 | Very low | 30.7 | Very low | 174 Ų | 174 | 137 Ų | 137 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | trans | 61.7 | 124.4 | 160 | -73.1 | -179.9 | 178.8 | -176 | 0 | 121.2 | ||||
| 1205 | S | 32.7 | Very low | 30.6 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 62% | 0.615 | 69% | 0.689 | S | S | * | * | trans | -78.8 | 167.1 | 144.9 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1206 | M | 30.6 | Very low | 30.6 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 64% | 0.635 | 70% | 0.695 | S | S | * | * | -140.8 | 137.7 | 127.8 | -67.7 | -59.1 | -74.4 | 0 | 0 | 106.1 | |||||
| 1207 | H | 33.8 | Very low | 30.2 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 65% | 0.653 | 70% | 0.699 | S | S | * | * | 66.2 | 134.3 | 55.7 | -80.3 | 37.8 | 0 | 0 | 0 | 111.7 | |||||
| 1208 | D | 31.9 | Very low | 29.8 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 49% | 0.487 | 70% | 0.698 | S | S | . | * | cis | -150.6 | 146.6 | 28.3 | -86 | -59.3 | 0 | 0 | 0 | 114.1 | ||||
| 1209 | N | 29.5 | Very low | 29.8 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 55% | 0.551 | 71% | 0.705 | S | S | * | * | 54.4 | 158.9 | 126.2 | -47.2 | -22.8 | 0 | 0 | 0 | 121.3 | |||||
| 1210 | N | 31.3 | Very low | 29.7 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | cis | -148.5 | 169.7 | 18.9 | -144.9 | -6.6 | 0 | 0 | 0 | 115.2 | ||||
| 1211 | F | 28.9 | Very low | 29.7 | Very low | 164 Ų | 164 | 132 Ų | 132 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | trans | -64.2 | 153.7 | 176.5 | -91.3 | -121.7 | 0 | 0 | 0 | 114.2 | Q1213 | F1211-Q1213 HydrophobicContact CD1-CG 4.16Š| ||
| 1212 | E | 31.3 | Very low | 29.8 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | -161.1 | 174.3 | 103 | -112.1 | 175.8 | -151.6 | 0 | 0 | 112.5 | |||||
| 1213 | Q | 28 | Very low | 29.8 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | trans | -110.6 | 174 | -144.7 | -65.9 | 175.2 | -113.6 | 0 | 0 | 116.4 | F1211 | F1211-Q1213 HydrophobicContact CD1-CG 4.16Š| ||
| 1214 | E | 26 | Very low | 29.9 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | 87.4 | 129.1 | 145.2 | -87.3 | 175.7 | -178 | 0 | 0 | 122.4 | ||||
| 1215 | S | 27 | Very low | 30.3 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | 67.9 | 92.5 | 137.2 | -57.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1216 | T | 29.2 | Very low | 30.4 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 87% | 0.865 | 71% | 0.707 | S | S | * | * | trans | -139.2 | 154.4 | 149.8 | 43.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1217 | P | 27.7 | Very low | 30.8 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -103.3 | -176.2 | -166.5 | 7.6 | 16.3 | 0 | 0 | 0 | 114.4 | ||||
| 1218 | S | 25.1 | Very low | 31 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | trans | -57.3 | 174.7 | 167.5 | -26.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1219 | P | 34.5 | Very low | 31.7 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | cis | -124.7 | -156.5 | -17.2 | 40.1 | -23 | 0 | 0 | 0 | 111 | ||||
| 1220 | L | 30.2 | Very low | 32.8 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | 141.8 | 164.8 | 147.4 | -77.6 | 163.3 | 0 | 0 | 0 | 114.5 | ||||
| 1221 | A | 28.3 | Very low | 34.1 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -112.4 | 166.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1222 | A | 30.6 | Very low | 35.9 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 90% | 0.901 | 71% | 0.706 | S | S | * | * | trans | 67 | 159.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1223 | G | 29.4 | Very low | 37.7 | Very low | 44 Ų | 44 | 120.1 Ų | 120.1 | 45% | 0.454 | 69% | 0.685 | S | S | . | * | trans | 110.1 | 133.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | K928 D932 | K928-G1223 PolarHBondContact NZ-O 2.58Å; D932-G1223 WeakPolarHBondContact OD2-CA 3.42Å | ||
| 1224 | Y | 33.3 | Very low | 39.8 | Very low | 196 Ų | 196 | 114.6 Ų | 114.6 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 165.8 | -173.1 | -90.8 | -106.5 | 0 | 0 | 0 | 114.6 | K928 D932 | K928-Y1224 WeakPolarHBondContact CD-O 3.47Å; K928-Y1224 WeakPolarHBondContact CE-O 3.39Å; K928-Y1224 WeakPolarHBondContact CG-O 3.24Å; K928-Y1224 PolarHBondContact NZ-O 2.82Å; D932-Y1224 PolarHBondContact OD2-N 2.95Å |
| 1225 | Q | 36.8 | Very low | 42 | Very low | 164 Ų | 164 | 109 Ų | 109 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 151.9 | -173.6 | -77.1 | -157 | 31.4 | 0 | 0 | 115.4 | ||
| 1226 | P | 34.8 | Very low | 44.4 | Very low | 32 Ų | 32 | 109.7 Ų | 109.7 | 21% | 0.208 | 63% | 0.629 | C | S | . | * | P | Polyproline II helix | trans | -92.7 | 156.4 | -168.2 | 36.5 | -34.9 | 0 | 0 | 0 | 115.8 | K928 | K928-P1226 HydrophobicContact CB-CB 4.17Å; K928-P1226 HydrophobicContact CB-CG 4.16Å; K928-P1226 HydrophobicContact CG-CG 4.38Å |
| 1227 | L | 38.9 | Very low | 46.5 | Very low | 155 Ų | 155 | 104.5 Ų | 104.5 | 81% | 0.812 | 60% | 0.6 | S | S | * | * | trans | -117.4 | 178.6 | -176 | -90.9 | 165.5 | 0 | 0 | 0 | 112.2 | ||||
| 1228 | P | 38.1 | Very low | 48.9 | Very low | 82 Ų | 82 | 100.9 Ų | 100.9 | 53% | 0.532 | 57% | 0.574 | S | S | . | * | trans | -74 | 172.5 | -139.8 | -23.7 | 36 | 0 | 0 | 0 | 120.6 | D1230 | P1228-D1230 PolarHBondContact O-N 3.41Š| ||
| 1229 | K | 47.6 | Very low | 51.4 | Low | 165 Ų | 165 | 101.1 Ų | 101.1 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -29 | -170.9 | -64.5 | 177.9 | 179.1 | 176.7 | 0 | 114.7 | I1231 Q1232 S1233 | K1229-I1231 VanDerWaalsContact C-N 3.26Å; K1229-I1231 PolarHBondContact O-N 3.05Å; K1229-Q1232 WeakPolarHBondContact O-CA 3.46Å; K1229-Q1232 VanDerWaalsContact O-CB 3.32Å; K1229-Q1232 WeakPolarHBondContact O-CB 3.36Å; K1229-Q1232 PolarHBondContact O-N 3.35Å; K1229-S1233 PolarHBondContact O-N 2.9Å |
| 1230 | D | 52.7 | Low | 53.5 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.8 | -15.1 | -161.8 | -43.9 | -63.4 | 0 | 0 | 0 | 113.3 | P1228 S1233 F1234 | P1228-D1230 PolarHBondContact O-N 3.41Å; D1230-S1233 PolarHBondContact O-OG 2.74Å; D1230-S1233 VanDerWaalsContact O-OG 3.06Å; D1230-F1234 PolarHBondContact O-N 3.43Å |
| 1231 | I | 58.9 | Low | 55.7 | Low | 118 Ų | 118 | 92.1 Ų | 92.1 | 61% | 0.605 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.5 | -27.6 | 168.3 | -61.2 | 174.5 | 0 | 0 | 0 | 110.8 | K1229 S1235 | K1229-I1231 VanDerWaalsContact C-N 3.26Å; K1229-I1231 PolarHBondContact O-N 3.05Å; I1231-S1235 WeakPolarHBondContact O-CB 3.46Å; I1231-S1235 PolarHBondContact O-N 3.04Å; I1231-S1235 PolarHBondContact O-OG 2.95Å |
| 1232 | Q | 65.9 | Low | 57.8 | Low | 100 Ų | 100 | 91.9 Ų | 91.9 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.2 | -45.1 | 178.4 | -60.8 | -165.3 | -56.5 | 0 | 0 | 111.2 | K1229 F1234 S1235 E1236 | K1229-Q1232 WeakPolarHBondContact O-CA 3.46Å; K1229-Q1232 VanDerWaalsContact O-CB 3.32Å; K1229-Q1232 WeakPolarHBondContact O-CB 3.36Å; K1229-Q1232 PolarHBondContact O-N 3.35Å; Q1232-F1234 VanDerWaalsContact C-N 3.35Å; Q1232-F1234 PolarHBondContact O-N 2.82Å; Q1232-S1235 WeakPolarHBondContact CA-OG 3.46Å; Q1232-S1235 CarbonylContact O-C 3.56Å; Q1232-S1235 PolarHBondContact O-N 3.48Å; Q1232-S1235 VanDerWaalsContact O-N 3.11Å; Q1232-S1235 PolarHBondContact O-OG 3.31Å; Q1232-E1236 PolarHBondContact O-N 3.29Å |
| 1233 | S | 68.3 | Low | 60 | Low | 64 Ų | 64 | 93.2 Ų | 93.2 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 174.1 | 44.3 | 0 | 0 | 0 | 0 | 112.2 | K1229 D1230 S1235 E1236 A1237 | K1229-S1233 PolarHBondContact O-N 2.9Å; D1230-S1233 PolarHBondContact O-OG 2.74Å; D1230-S1233 VanDerWaalsContact O-OG 3.06Å; S1233-S1235 VanDerWaalsContact C-N 3.34Å; S1233-S1235 PolarHBondContact O-N 3.4Å; S1233-E1236 PolarHBondContact O-N 3.06Å; S1233-A1237 VanDerWaalsContact O-CB 3.24Å; S1233-A1237 WeakPolarHBondContact O-CB 3.18Å; S1233-A1237 PolarHBondContact O-N 3.12Å |
| 1234 | F | 73 | Confident | 62.1 | Low | 27 Ų | 27 | 95 Ų | 95 | 12% | 0.118 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 172 | -176.1 | -122.4 | 0 | 0 | 0 | 112.2 | D1230 Q1232 A1237 L1238 V1251 H1255 L1258 | D1230-F1234 PolarHBondContact O-N 3.43Å; Q1232-F1234 VanDerWaalsContact C-N 3.35Å; Q1232-F1234 PolarHBondContact O-N 2.82Å; F1234-A1237 PolarHBondContact O-N 2.8Å; F1234-L1238 HydrophobicContact CD1-CD1 3.99Å; F1234-L1238 HydrophobicContact CD2-CG 4.49Å; F1234-L1238 HydrophobicContact CE1-CD1 3.61Å; F1234-L1238 HydrophobicContact CE1-CG 4.37Å; F1234-L1238 HydrophobicContact CE2-CD1 4.3Å; F1234-L1238 HydrophobicContact CE2-CD2 4.39Å; F1234-L1238 HydrophobicContact CE2-CG 4.19Å; F1234-L1238 HydrophobicContact CG-CD1 4.5Å; F1234-L1238 HydrophobicContact CZ-CD1 3.78Å; F1234-L1238 HydrophobicContact CZ-CD2 4.27Å; F1234-L1238 HydrophobicContact CZ-CG 4.13Å; F1234-L1238 WeakPolarHBondContact O-CB 3.29Å; F1234-L1238 WeakPolarHBondContact O-CG 3.29Å; F1234-L1238 PolarHBondContact O-N 2.74Å; F1234-V1251 HydrophobicContact CD2-CG1 4.02Å; F1234-V1251 HydrophobicContact CE2-CG1 3.75Å; F1234-H1255 HydrophobicContact CD2-CB 3.85Å; F1234-H1255 AromaticContact CD2-CD2 3.58Å; F1234-H1255 AromaticContact CD2-CG 3.67Å; F1234-H1255 HydrophobicContact CE2-CB 3.59Å; F1234-H1255 AromaticContact CE2-CD2 3.93Å; F1234-H1255 AromaticContact CE2-CG 3.91Å; F1234-H1255 HydrophobicContact CZ-CB 4.35Å; F1234-L1258 HydrophobicContact CD1-CD1 3.95Å; F1234-L1258 HydrophobicContact CE1-CD1 4.14Å; F1234-L1258 HydrophobicContact CG-CD1 4.37Å |
| 1235 | S | 73 | Confident | 64.1 | Low | 50 Ų | 50 | 90 Ų | 90 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 176.9 | 72.6 | 0 | 0 | 0 | 0 | 113.8 | I1231 Q1232 S1233 A1237 L1238 I1239 | I1231-S1235 WeakPolarHBondContact O-CB 3.46Å; I1231-S1235 PolarHBondContact O-N 3.04Å; I1231-S1235 PolarHBondContact O-OG 2.95Å; Q1232-S1235 WeakPolarHBondContact CA-OG 3.46Å; Q1232-S1235 CarbonylContact O-C 3.56Å; Q1232-S1235 PolarHBondContact O-N 3.48Å; Q1232-S1235 VanDerWaalsContact O-N 3.11Å; Q1232-S1235 PolarHBondContact O-OG 3.31Å; S1233-S1235 VanDerWaalsContact C-N 3.34Å; S1233-S1235 PolarHBondContact O-N 3.4Å; S1235-A1237 VanDerWaalsContact C-N 3.35Å; S1235-L1238 PolarHBondContact O-N 2.92Å; S1235-I1239 WeakPolarHBondContact O-CB 3.43Å; S1235-I1239 WeakPolarHBondContact O-CD1 3.27Å; S1235-I1239 VanDerWaalsContact O-CG1 3.22Å; S1235-I1239 WeakPolarHBondContact O-CG1 3.49Å; S1235-I1239 PolarHBondContact O-N 2.81Å |
| 1236 | E | 75.6 | Confident | 66.2 | Low | 121 Ų | 121 | 89.8 Ų | 89.8 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.6 | -34.7 | 174.4 | -73.4 | 179.1 | 171.1 | 0 | 0 | 110.8 | Q1232 S1233 S1240 | Q1232-E1236 PolarHBondContact O-N 3.29Å; S1233-E1236 PolarHBondContact O-N 3.06Å; E1236-S1240 VanDerWaalsContact O-CB 3.27Å; E1236-S1240 WeakPolarHBondContact O-CB 3.31Å; E1236-S1240 PolarHBondContact O-N 3.13Å; E1236-S1240 PolarHBondContact O-OG 3.19Å |
| 1237 | A | 75 | Confident | 68.2 | Low | 31 Ų | 31 | 89.8 Ų | 89.8 | 26% | 0.256 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -49.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1233 F1234 S1235 I1239 S1240 A1241 V1251 | S1233-A1237 VanDerWaalsContact O-CB 3.24Å; S1233-A1237 WeakPolarHBondContact O-CB 3.18Å; S1233-A1237 PolarHBondContact O-N 3.12Å; F1234-A1237 PolarHBondContact O-N 2.8Å; S1235-A1237 VanDerWaalsContact C-N 3.35Å; A1237-I1239 VanDerWaalsContact C-N 3.35Å; A1237-I1239 PolarHBondContact O-N 3.5Å; A1237-S1240 PolarHBondContact O-N 2.81Å; A1237-A1241 WeakPolarHBondContact O-CB 3.27Å; A1237-A1241 PolarHBondContact O-N 2.87Å; A1237-V1251 HydrophobicContact CB-CG1 3.87Å; A1237-V1251 HydrophobicContact CB-CG2 3.85Å |
| 1238 | L | 77.7 | Confident | 70.2 | Confident | 50 Ų | 50 | 84.8 Ų | 84.8 | 26% | 0.262 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 175.5 | -75.2 | 172.9 | 0 | 0 | 0 | 112.4 | F1234 S1235 A1241 S1242 M1248 V1251 | F1234-L1238 HydrophobicContact CD1-CD1 3.99Å; F1234-L1238 HydrophobicContact CD2-CG 4.49Å; F1234-L1238 HydrophobicContact CE1-CD1 3.61Å; F1234-L1238 HydrophobicContact CE1-CG 4.37Å; F1234-L1238 HydrophobicContact CE2-CD1 4.3Å; F1234-L1238 HydrophobicContact CE2-CD2 4.39Å; F1234-L1238 HydrophobicContact CE2-CG 4.19Å; F1234-L1238 HydrophobicContact CG-CD1 4.5Å; F1234-L1238 HydrophobicContact CZ-CD1 3.78Å; F1234-L1238 HydrophobicContact CZ-CD2 4.27Å; F1234-L1238 HydrophobicContact CZ-CG 4.13Å; F1234-L1238 WeakPolarHBondContact O-CB 3.29Å; F1234-L1238 WeakPolarHBondContact O-CG 3.29Å; F1234-L1238 PolarHBondContact O-N 2.74Å; S1235-L1238 PolarHBondContact O-N 2.92Å; L1238-A1241 PolarHBondContact O-N 2.94Å; L1238-S1242 WeakPolarHBondContact O-CB 3.34Å; L1238-S1242 PolarHBondContact O-N 2.79Å; L1238-M1248 HydrophobicContact CD2-CE 3.66Å; L1238-M1248 HydrophobicContact CD2-SD 3.76Å; L1238-V1251 HydrophobicContact CD2-CG1 3.69Å; L1238-V1251 HydrophobicContact CG-CG1 3.91Å |
| 1239 | I | 77.4 | Confident | 72.1 | Confident | 118 Ų | 118 | 85.8 Ų | 85.8 | 61% | 0.605 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.9 | -44.8 | 177.7 | -70.3 | 164.9 | 0 | 0 | 0 | 110.6 | S1235 A1237 A1241 S1242 | S1235-I1239 WeakPolarHBondContact O-CB 3.43Å; S1235-I1239 WeakPolarHBondContact O-CD1 3.27Å; S1235-I1239 VanDerWaalsContact O-CG1 3.22Å; S1235-I1239 WeakPolarHBondContact O-CG1 3.49Å; S1235-I1239 PolarHBondContact O-N 2.81Å; A1237-I1239 VanDerWaalsContact C-N 3.35Å; A1237-I1239 PolarHBondContact O-N 3.5Å; I1239-A1241 VanDerWaalsContact C-N 3.25Å; I1239-A1241 PolarHBondContact O-N 3.41Å; I1239-S1242 PolarHBondContact O-N 2.96Å; I1239-S1242 PolarHBondContact O-OG 3.42Å |
| 1240 | S | 77.9 | Confident | 73.5 | Confident | 97 Ų | 97 | 85.7 Ų | 85.7 | 68% | 0.678 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.5 | -32.6 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | E1236 A1237 | E1236-S1240 VanDerWaalsContact O-CB 3.27Å; E1236-S1240 WeakPolarHBondContact O-CB 3.31Å; E1236-S1240 PolarHBondContact O-N 3.13Å; E1236-S1240 PolarHBondContact O-OG 3.19Å; A1237-S1240 PolarHBondContact O-N 2.81Å |
| 1241 | A | 77.6 | Confident | 74.6 | Confident | 2 Ų | 2 | 80.7 Ų | 80.7 | 2% | 0.017 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -78.6 | -24.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1237 L1238 I1239 V1243 D1244 A1247 M1248 V1251 | A1237-A1241 WeakPolarHBondContact O-CB 3.27Å; A1237-A1241 PolarHBondContact O-N 2.87Å; L1238-A1241 PolarHBondContact O-N 2.94Å; I1239-A1241 VanDerWaalsContact C-N 3.25Å; I1239-A1241 PolarHBondContact O-N 3.41Å; A1241-V1243 PolarHBondContact O-N 3.11Å; A1241-D1244 CarbonylContact O-C 3.55Å; A1241-D1244 PolarHBondContact O-N 2.85Å; A1241-A1247 VanDerWaalsContact CB-C 3.5Å; A1241-A1247 HydrophobicContact CB-CB 3.79Å; A1241-M1248 HydrophobicContact CB-CG 3.99Å; A1241-M1248 HydrophobicContact CB-SD 3.81Å; A1241-V1251 HydrophobicContact CB-CB 4.39Å; A1241-V1251 HydrophobicContact CB-CG2 3.86Å |
| 1242 | S | 72 | Confident | 75.4 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 59% | 0.594 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -8.9 | -173.6 | 68.2 | 0 | 0 | 0 | 0 | 116 | L1238 I1239 | L1238-S1242 WeakPolarHBondContact O-CB 3.34Å; L1238-S1242 PolarHBondContact O-N 2.79Å; I1239-S1242 PolarHBondContact O-N 2.96Å; I1239-S1242 PolarHBondContact O-OG 3.42Å |
| 1243 | V | 76.3 | Confident | 75.8 | Confident | 138 Ų | 138 | 78.3 Ų | 78.3 | 84% | 0.836 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -13.7 | 179.5 | -165.8 | 0 | 0 | 0 | 0 | 112.9 | A1241 | A1241-V1243 PolarHBondContact O-N 3.11Š|
| 1244 | D | 74.4 | Confident | 76 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | trans | -137 | 121.2 | 177.8 | 175.5 | 7.6 | 0 | 0 | 0 | 110.7 | A1241 K1246 A1247 M1248 | A1241-D1244 CarbonylContact O-C 3.55Å; A1241-D1244 PolarHBondContact O-N 2.85Å; D1244-K1246 PolarHBondContact O-N 2.91Å; D1244-K1246 VanDerWaalsContact O-N 3.16Å; D1244-K1246 WeakPolarHBondContact OD1-CB 3.49Å; D1244-K1246 PolarHBondContact OD1-N 3.33Å; D1244-A1247 HydrophobicContact CB-CB 4.01Å; D1244-A1247 WeakPolarHBondContact O-CB 3.23Å; D1244-A1247 PolarHBondContact O-N 3.19Å; D1244-M1248 PolarHBondContact O-N 2.84Å | ||
| 1245 | S | 75.1 | Confident | 75.3 | Confident | 90 Ų | 90 | 80.8 Ų | 80.8 | 63% | 0.629 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.8 | -29.5 | -179.5 | 74.7 | 0 | 0 | 0 | 0 | 113 | M1248 D1249 | S1245-M1248 PolarHBondContact O-N 3.45Å; S1245-D1249 PolarHBondContact O-N 2.83Å |
| 1246 | K | 80.2 | Confident | 74.1 | Confident | 159 Ų | 159 | 81.9 Ų | 81.9 | 69% | 0.691 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -71.7 | -35.9 | 175.7 | -67.6 | -179.5 | 177.2 | 177.4 | 0 | 112.3 | D1244 M1248 Y1250 | D1244-K1246 PolarHBondContact O-N 2.91Å; D1244-K1246 VanDerWaalsContact O-N 3.16Å; D1244-K1246 WeakPolarHBondContact OD1-CB 3.49Å; D1244-K1246 PolarHBondContact OD1-N 3.33Å; K1246-M1248 VanDerWaalsContact C-N 3.32Å; K1246-Y1250 WeakPolarHBondContact O-CB 3.39Å; K1246-Y1250 PolarHBondContact O-N 3.1Å |
| 1247 | A | 77.6 | Confident | 72.7 | Confident | 32 Ų | 32 | 83.2 Ų | 83.2 | 26% | 0.264 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67 | -37.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1241 D1244 Y1250 V1251 | A1241-A1247 VanDerWaalsContact CB-C 3.5Å; A1241-A1247 HydrophobicContact CB-CB 3.79Å; D1244-A1247 HydrophobicContact CB-CB 4.01Å; D1244-A1247 WeakPolarHBondContact O-CB 3.23Å; D1244-A1247 PolarHBondContact O-N 3.19Å; A1247-Y1250 PolarHBondContact O-N 2.91Å; A1247-V1251 WeakPolarHBondContact O-CG2 3.47Å; A1247-V1251 PolarHBondContact O-N 3.37Å |
| 1248 | M | 79.4 | Confident | 71.5 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 25% | 0.251 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 174.8 | -92.3 | -56.6 | -52.1 | 0 | 0 | 112.6 | L1238 A1241 D1244 S1245 K1246 Y1250 V1251 L1252 | L1238-M1248 HydrophobicContact CD2-CE 3.66Å; L1238-M1248 HydrophobicContact CD2-SD 3.76Å; A1241-M1248 HydrophobicContact CB-CG 3.99Å; A1241-M1248 HydrophobicContact CB-SD 3.81Å; D1244-M1248 PolarHBondContact O-N 2.84Å; S1245-M1248 PolarHBondContact O-N 3.45Å; K1246-M1248 VanDerWaalsContact C-N 3.32Å; M1248-Y1250 VanDerWaalsContact C-N 3.26Å; M1248-Y1250 PolarHBondContact O-N 2.94Å; M1248-V1251 PolarHBondContact O-N 3.1Å; M1248-L1252 HydrophobicContact CE-CD1 3.68Å; M1248-L1252 HydrophobicContact CE-CD2 4.15Å; M1248-L1252 HydrophobicContact CE-CG 3.75Å; M1248-L1252 WeakPolarHBondContact O-CB 3.38Å; M1248-L1252 WeakPolarHBondContact O-CG 3.46Å; M1248-L1252 PolarHBondContact O-N 3.32Å |
| 1249 | D | 78 | Confident | 70.2 | Confident | 103 Ų | 103 | 88.3 Ų | 88.3 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.9 | -40.2 | 173.6 | -82 | -21.6 | 0 | 0 | 0 | 111.4 | S1245 L1252 T1253 | S1245-D1249 PolarHBondContact O-N 2.83Å; D1249-L1252 PolarHBondContact O-N 2.88Å; D1249-T1253 WeakPolarHBondContact O-CB 3.47Å; D1249-T1253 VanDerWaalsContact O-CG2 3.3Å; D1249-T1253 WeakPolarHBondContact O-CG2 3.48Å; D1249-T1253 PolarHBondContact O-N 3.46Å; D1249-T1253 PolarHBondContact O-OG1 3.44Å |
| 1250 | Y | 77.3 | Confident | 68.4 | Low | 162 Ų | 162 | 91.9 Ų | 91.9 | 64% | 0.635 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 177 | -168.6 | -96.3 | 0 | 0 | 0 | 112.6 | K1246 A1247 M1248 T1253 T1254 | K1246-Y1250 WeakPolarHBondContact O-CB 3.39Å; K1246-Y1250 PolarHBondContact O-N 3.1Å; A1247-Y1250 PolarHBondContact O-N 2.91Å; M1248-Y1250 VanDerWaalsContact C-N 3.26Å; M1248-Y1250 PolarHBondContact O-N 2.94Å; Y1250-T1253 PolarHBondContact O-OG1 2.8Å; Y1250-T1254 HydrophobicContact CD1-CG2 4.29Å; Y1250-T1254 HydrophobicContact CE1-CG2 3.97Å; Y1250-T1254 HydrophobicContact CE2-CG2 4.45Å; Y1250-T1254 WeakPolarHBondContact O-CB 3.37Å; Y1250-T1254 VanDerWaalsContact O-CG2 3.32Å; Y1250-T1254 WeakPolarHBondContact O-CG2 3.46Å; Y1250-T1254 PolarHBondContact O-N 3.46Å; Y1250-T1254 VanDerWaalsContact O-N 3.08Å; Y1250-T1254 PolarHBondContact O-OG1 3.33Å |
| 1251 | V | 76.6 | Confident | 66.2 | Low | 14 Ų | 14 | 92.4 Ų | 92.4 | 9% | 0.085 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -70.8 | -34.7 | 178.4 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | F1234 A1237 L1238 A1241 A1247 M1248 T1254 | F1234-V1251 HydrophobicContact CD2-CG1 4.02Å; F1234-V1251 HydrophobicContact CE2-CG1 3.75Å; A1237-V1251 HydrophobicContact CB-CG1 3.87Å; A1237-V1251 HydrophobicContact CB-CG2 3.85Å; L1238-V1251 HydrophobicContact CD2-CG1 3.69Å; L1238-V1251 HydrophobicContact CG-CG1 3.91Å; A1241-V1251 HydrophobicContact CB-CB 4.39Å; A1241-V1251 HydrophobicContact CB-CG2 3.86Å; A1247-V1251 WeakPolarHBondContact O-CG2 3.47Å; A1247-V1251 PolarHBondContact O-N 3.37Å; M1248-V1251 PolarHBondContact O-N 3.1Å; V1251-T1254 WeakPolarHBondContact CA-OG1 3.32Å; V1251-T1254 PolarHBondContact O-OG1 2.79Å |
| 1252 | L | 74.2 | Confident | 64.2 | Low | 65 Ų | 65 | 97.9 Ų | 97.9 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 174.7 | -69.2 | 170.9 | 0 | 0 | 0 | 112.3 | M1248 D1249 I1259 | M1248-L1252 HydrophobicContact CE-CD1 3.68Å; M1248-L1252 HydrophobicContact CE-CD2 4.15Å; M1248-L1252 HydrophobicContact CE-CG 3.75Å; M1248-L1252 WeakPolarHBondContact O-CB 3.38Å; M1248-L1252 WeakPolarHBondContact O-CG 3.46Å; M1248-L1252 PolarHBondContact O-N 3.32Å; D1249-L1252 PolarHBondContact O-N 2.88Å; L1252-I1259 HydrophobicContact CB-CD1 4.41Å; L1252-I1259 HydrophobicContact CD2-CD1 3.96Å |
| 1253 | T | 75.4 | Confident | 62.3 | Low | 104 Ų | 104 | 101.4 Ų | 101.4 | 64% | 0.638 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -75.5 | -24.6 | -179.5 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | D1249 Y1250 | D1249-T1253 WeakPolarHBondContact O-CB 3.47Å; D1249-T1253 VanDerWaalsContact O-CG2 3.3Å; D1249-T1253 WeakPolarHBondContact O-CG2 3.48Å; D1249-T1253 PolarHBondContact O-N 3.46Å; D1249-T1253 PolarHBondContact O-OG1 3.44Å; Y1250-T1253 PolarHBondContact O-OG1 2.8Å |
| 1254 | T | 71.5 | Confident | 60.2 | Low | 65 Ų | 65 | 101.4 Ų | 101.4 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -82 | -16.3 | 176.9 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | Y1250 V1251 P1256 | Y1250-T1254 HydrophobicContact CD1-CG2 4.29Å; Y1250-T1254 HydrophobicContact CE1-CG2 3.97Å; Y1250-T1254 HydrophobicContact CE2-CG2 4.45Å; Y1250-T1254 WeakPolarHBondContact O-CB 3.37Å; Y1250-T1254 VanDerWaalsContact O-CG2 3.32Å; Y1250-T1254 WeakPolarHBondContact O-CG2 3.46Å; Y1250-T1254 PolarHBondContact O-N 3.46Å; Y1250-T1254 VanDerWaalsContact O-N 3.08Å; Y1250-T1254 PolarHBondContact O-OG1 3.33Å; V1251-T1254 WeakPolarHBondContact CA-OG1 3.32Å; V1251-T1254 PolarHBondContact O-OG1 2.79Å; T1254-P1256 VanDerWaalsContact C-CD 3.41Å |
| 1255 | H | 58.9 | Low | 58.3 | Low | 77 Ų | 77 | 105.5 Ų | 105.5 | 36% | 0.356 | 57% | 0.571 | S | S | . | * | trans | -126.6 | 52.6 | -178.8 | -64.8 | -80.1 | 0 | 0 | 0 | 114.3 | F1234 N1257 L1258 | F1234-H1255 HydrophobicContact CD2-CB 3.85Å; F1234-H1255 AromaticContact CD2-CD2 3.58Å; F1234-H1255 AromaticContact CD2-CG 3.67Å; F1234-H1255 HydrophobicContact CE2-CB 3.59Å; F1234-H1255 AromaticContact CE2-CD2 3.93Å; F1234-H1255 AromaticContact CE2-CG 3.91Å; F1234-H1255 HydrophobicContact CZ-CB 4.35Å; H1255-N1257 PolarHBondContact O-N 3.15Å; H1255-L1258 PolarHBondContact O-N 3Å | ||
| 1256 | P | 47.6 | Very low | 56.2 | Low | 74 Ų | 74 | 108.6 Ų | 108.6 | 48% | 0.481 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -65.2 | -16.6 | -169.8 | 27.7 | -37.1 | 0 | 0 | 0 | 115.3 | T1254 L1258 | T1254-P1256 VanDerWaalsContact C-CD 3.41Å; P1256-L1258 VanDerWaalsContact C-N 3.3Å; P1256-L1258 PolarHBondContact O-N 2.81Å |
| 1257 | N | 45.8 | Very low | 54.2 | Low | 148 Ų | 148 | 108.1 Ų | 108.1 | 79% | 0.791 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -79.6 | -4.2 | -174.6 | -69.7 | -17.8 | 0 | 0 | 0 | 114.6 | H1255 | H1255-N1257 PolarHBondContact O-N 3.15Š|
| 1258 | L | 51.5 | Low | 52.1 | Low | 106 Ų | 106 | 112.9 Ų | 112.9 | 56% | 0.555 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -107.5 | -1 | -176.8 | -67.5 | 174.5 | 0 | 0 | 0 | 114.7 | F1234 H1255 P1256 | F1234-L1258 HydrophobicContact CD1-CD1 3.95Å; F1234-L1258 HydrophobicContact CE1-CD1 4.14Å; F1234-L1258 HydrophobicContact CG-CD1 4.37Å; H1255-L1258 PolarHBondContact O-N 3Å; P1256-L1258 VanDerWaalsContact C-N 3.3Å; P1256-L1258 PolarHBondContact O-N 2.81Å |
| 1259 | I | 50 | Low | 50 | Low | 82 Ų | 82 | 116.8 Ų | 116.8 | 42% | 0.421 | 63% | 0.628 | S | S | . | * | trans | -97.9 | -9.8 | -164.7 | -62.5 | 172.9 | 0 | 0 | 0 | 113.3 | L1252 S1261 | L1252-I1259 HydrophobicContact CB-CD1 4.41Å; L1252-I1259 HydrophobicContact CD2-CD1 3.96Å; I1259-S1261 VanDerWaalsContact C-N 3.31Å; I1259-S1261 PolarHBondContact O-N 3.39Å | ||
| 1260 | K | 38.3 | Very low | 48 | Very low | 194 Ų | 194 | 118 Ų | 118 | 84% | 0.843 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 21.9 | -163.5 | -69.2 | -170.4 | 174.5 | -178.3 | 0 | 117.9 | ||
| 1261 | S | 33 | Very low | 46 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 76% | 0.755 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.8 | 22.3 | -178.9 | 76 | 0 | 0 | 0 | 0 | 116.2 | I1259 | I1259-S1261 VanDerWaalsContact C-N 3.31Å; I1259-S1261 PolarHBondContact O-N 3.39Å |
| 1262 | V | 34.6 | Very low | 44.2 | Very low | 117 Ų | 117 | 124 Ų | 124 | 71% | 0.709 | 68% | 0.677 | S | S | * | * | trans | -136.5 | 99.4 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1263 | N | 33.1 | Very low | 42.2 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | trans | 173.3 | 94.8 | 151 | -95.1 | -10.6 | 0 | 0 | 0 | 111.5 | ||||
| 1264 | T | 31.8 | Very low | 40.1 | Very low | 139 Ų | 139 | 125 Ų | 125 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | trans | -157.8 | 98.9 | 150.9 | 40.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1265 | N | 34.2 | Very low | 38.2 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | trans | -155.6 | 158 | 156.1 | -111.6 | -16.5 | 0 | 0 | 0 | 108.5 | ||||
| 1266 | N | 30.7 | Very low | 36.9 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | -61.6 | 150 | -172.2 | -70 | -35.5 | 0 | 0 | 0 | 113.5 | ||||
| 1267 | D | 38.5 | Very low | 36.1 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | -159.3 | 174.5 | 114.2 | -130 | -39.3 | 0 | 0 | 0 | 114.5 | |||||
| 1268 | N | 34.6 | Very low | 35.5 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -80.3 | 169.1 | -158.4 | -78.3 | -87.4 | 0 | 0 | 0 | 118.5 | ||||
| 1269 | N | 35.4 | Very low | 34.4 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 85.3 | 110.4 | 147.1 | -82 | -45.6 | 0 | 0 | 0 | 122.6 | ||||
| 1270 | N | 35.2 | Very low | 33.6 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | trans | 73.5 | 120.9 | 130.3 | -68.6 | -29.1 | 0 | 0 | 0 | 123.1 | ||||
| 1271 | N | 35.8 | Very low | 33.1 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 81.7 | 125.7 | 145.6 | -65.1 | -29.4 | 0 | 0 | 0 | 120.9 | ||||
| 1272 | N | 37.3 | Very low | 33.1 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 67.2 | 83.3 | 153.5 | -57.4 | -23.8 | 0 | 0 | 0 | 118.5 | ||||
| 1273 | G | 33.6 | Very low | 32.8 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 175.4 | 70.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1274 | C | 30.7 | Very low | 32.7 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -41.2 | 146.2 | -173.9 | -66.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1275 | K | 32.2 | Very low | 32.8 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | cis | -177.9 | 153.1 | -6.6 | -110 | 170.2 | -173.5 | -179.8 | 0 | 106.1 | ||||
| 1276 | S | 31.1 | Very low | 32.8 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | -164.8 | 145.2 | -9.3 | -149 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1277 | S | 31.3 | Very low | 32.9 | Very low | 86 Ų | 86 | 131 Ų | 131 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | trans | 30.3 | 128.8 | 139.6 | 57.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1278 | H | 32.5 | Very low | 32.8 | Very low | 184 Ų | 184 | 128.6 Ų | 128.6 | 85% | 0.852 | 74% | 0.741 | S | S | * | * | 81 | 164.9 | 52.4 | -66.3 | -58.5 | 0 | 0 | 0 | 115.4 | |||||
| 1279 | S | 29.4 | Very low | 32.7 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 70.9 | 133.3 | -166.5 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1280 | L | 31.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | cis | 84.9 | 103 | 33.3 | -67.5 | 171.7 | 0 | 0 | 0 | 114.6 | ||||
| 1281 | S | 29.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 57.5 | -168.8 | 164.5 | -52.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1282 | P | 33.2 | Very low | 32.4 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | -101 | 169.9 | -98 | 38.4 | -31.3 | 0 | 0 | 0 | 113.9 | |||||
| 1283 | S | 27.7 | Very low | 32.1 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | 61.2 | 126.5 | 152.8 | -82.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1284 | I | 31.5 | Very low | 32.3 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | 74.2 | 107.5 | 138.6 | -58.5 | 166.7 | 0 | 0 | 0 | 118.2 | ||||
| 1285 | Q | 33.7 | Very low | 32.4 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | trans | 36.6 | 123 | 138.2 | -54.4 | 175.6 | -1.8 | 0 | 0 | 120.1 | ||||
| 1286 | N | 34.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | -168.9 | 170.8 | 96.1 | -104.7 | -68.8 | 0 | 0 | 0 | 114.7 | |||||
| 1287 | V | 33.1 | Very low | 32.7 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 60% | 0.6 | 75% | 0.749 | S | S | * | * | trans | -115 | 146 | -171.5 | 172.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1288 | N | 35 | Very low | 32.8 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 54% | 0.535 | 76% | 0.763 | S | S | . | * | trans | -154.8 | 100.3 | 156.9 | -126.1 | -19.5 | 0 | 0 | 0 | 116.9 | H995 A996 | H995-N1288 PolarHBondContact O-ND2 2.96Å; A996-N1288 PolarHBondContact O-ND2 3.24Å; A996-N1288 PolarHBondContact O-OD1 3.11Å | ||
| 1289 | I | 33.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 58% | 0.579 | 75% | 0.754 | S | S | * | * | trans | 39.2 | 137.9 | 133.6 | -48.6 | 175.3 | 0 | 0 | 0 | 122.4 | L997 | L997-I1289 WeakPolarHBondContact O-CD1 3.46Š| ||
| 1290 | S | 31.6 | Very low | 32.8 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -77.3 | 160.3 | 178.8 | -22.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1291 | T | 35.1 | Very low | 33 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -163.7 | 156.4 | 142.3 | 38.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1292 | S | 32.8 | Very low | 33.1 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | 168.8 | 131 | -17.1 | 161.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1293 | D | 31.9 | Very low | 33.3 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 45 | 122.1 | 154.3 | -60.9 | -86.7 | 0 | 0 | 0 | 123.6 | ||||
| 1294 | R | 37.3 | Very low | 33.6 | Very low | 255 Ų | 255 | 137.7 Ų | 137.7 | 96% | 0.962 | 76% | 0.756 | S | S | * | * | -166.3 | 156.8 | 104.7 | -103.7 | 167.1 | -177.4 | -171.6 | 0.5 | 114.5 | |||||
| 1295 | K | 33 | Very low | 33.7 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -95.1 | 148.3 | -174.9 | -60.3 | 174.5 | 177 | 177.4 | 0 | 113.5 | ||||
| 1296 | T | 36.5 | Very low | 33.8 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | trans | 163.6 | 146.5 | 130.5 | 37.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1297 | G | 31.5 | Very low | 34.1 | Very low | 58 Ų | 58 | 134.8 Ų | 134.8 | 60% | 0.598 | 75% | 0.751 | S | S | * | * | cis | 156.9 | 155.8 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1298 | F | 33.6 | Very low | 34.1 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 89% | 0.886 | 76% | 0.756 | S | S | * | * | trans | 73.1 | 131.6 | 179.9 | -63.4 | -86.6 | 0 | 0 | 0 | 115.4 | ||||
| 1299 | C | 30.5 | Very low | 34.1 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 68% | 0.676 | 78% | 0.775 | S | S | * | * | cis | 94.1 | 137.3 | 43.3 | -79 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1300 | D | 32.1 | Very low | 34.1 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | cis | -150.6 | 161.1 | 5.2 | -76.7 | -51 | 0 | 0 | 0 | 111.5 | ||||
| 1301 | S | 35.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 157.8 | 125.2 | 137.3 | -73.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1302 | I | 31.6 | Very low | 34.3 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -147.1 | 135.1 | 177.9 | -77.7 | 177.8 | 0 | 0 | 0 | 106.1 | ||||
| 1303 | P | 36.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | -157.1 | 160.8 | 93.8 | 40.4 | -19.1 | 0 | 0 | 0 | 120.6 | |||||
| 1304 | D | 34.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -16.7 | 159.3 | 158.5 | -52.9 | -59 | 0 | 0 | 0 | 121.7 | ||||
| 1305 | T | 34.3 | Very low | 34.1 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | 175.8 | 108.5 | 109.8 | -77.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1306 | F | 34.5 | Very low | 34.2 | Very low | 152 Ų | 152 | 146 Ų | 146 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | trans | 69.4 | 165.3 | 143 | -81.6 | -111.8 | 0 | 0 | 0 | 120 | K1308 | F1306-K1308 HydrophobicContact CD1-CG 4.34Å; F1306-K1308 HydrophobicContact CE1-CD 3.87Å; F1306-K1308 HydrophobicContact CE1-CG 4.03Å | ||
| 1307 | P | 40.6 | Very low | 34.1 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | cis | -127.3 | 165.5 | 18.8 | 42.5 | -27.3 | 0 | 0 | 0 | 119.6 | ||||
| 1308 | K | 34 | Very low | 34.2 | Very low | 160 Ų | 160 | 150.5 Ų | 150.5 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | trans | -87.9 | 159.8 | 167.8 | -55.3 | 166.3 | -179 | 170.2 | 0 | 110.2 | F1306 | F1306-K1308 HydrophobicContact CD1-CG 4.34Å; F1306-K1308 HydrophobicContact CE1-CD 3.87Å; F1306-K1308 HydrophobicContact CE1-CG 4.03Å | ||
| 1309 | Y | 35.6 | Very low | 34.2 | Very low | 239 Ų | 239 | 148 Ų | 148 | 94% | 0.937 | 76% | 0.757 | S | S | * | * | -157 | 143.8 | 128.1 | -110.9 | -73 | 0 | 0 | 0 | 112.3 | |||||
| 1310 | N | 32.2 | Very low | 34.3 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -156.4 | 122.6 | 179.8 | 173.4 | -0.8 | 0 | 0 | 0 | 108.7 | ||||
| 1311 | K | 36.1 | Very low | 34.2 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | trans | -179.9 | 157.3 | 160.3 | -109.1 | 161.8 | -174.4 | 179 | 0 | 113.3 | ||||
| 1312 | N | 35.1 | Very low | 34 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 73.5 | 137.2 | 166.9 | -52.4 | -17.6 | 0 | 0 | 0 | 115.7 | ||||
| 1313 | H | 33.1 | Very low | 33.9 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | cis | -147.6 | 146.6 | 1.2 | -126.9 | -64.8 | 0 | 0 | 0 | 110.4 | ||||
| 1314 | A | 31 | Very low | 33.6 | Very low | 90 Ų | 90 | 148.8 Ų | 148.8 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | -106.4 | 158.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1315 | K | 35.5 | Very low | 33.3 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 73% | 0.726 | 75% | 0.745 | S | S | * | * | trans | -173.1 | 139.8 | 148.9 | -114 | 171.6 | 174.5 | -159.4 | 0 | 115.3 | ||||
| 1316 | Y | 33.6 | Very low | 33.2 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | trans | 60.3 | 120.5 | 166.7 | -51.1 | -61.1 | 0 | 0 | 0 | 118.6 | ||||
| 1317 | V | 34.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | cis | 99.3 | 141.2 | 7 | -166.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1318 | Y | 34.4 | Very low | 32.5 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 83.5 | 115.8 | -173.3 | -61.5 | -74.5 | 0 | 0 | 0 | 114.5 | ||||
| 1319 | E | 32.1 | Very low | 32.2 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | 69.9 | 143.7 | 54.6 | -57.7 | -175.1 | 153.2 | 0 | 0 | 112.3 | |||||
| 1320 | L | 32.9 | Very low | 32 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | cis | -138.1 | 140.2 | 26.7 | -99.1 | 93.8 | 0 | 0 | 0 | 110.4 | ||||
| 1321 | K | 31.2 | Very low | 31.8 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | 78.2 | 130.7 | 81.8 | -84.4 | -171.7 | 177.5 | 177.5 | 0 | 118.4 | |||||
| 1322 | T | 31.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | trans | 63.6 | 150.2 | 140.2 | 58.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1323 | D | 29.9 | Very low | 31.4 | Very low | 145 Ų | 145 | 123.1 Ų | 123.1 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | cis | -175 | 167.9 | -12.4 | -95.9 | -14.6 | 0 | 0 | 0 | 107.8 | ||||
| 1324 | S | 28.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | cis | -171.5 | 165.2 | -25.6 | 62.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1325 | G | 29 | Very low | 31.3 | Very low | 73 Ų | 73 | 125.7 Ų | 125.7 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | 80.8 | 171.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1326 | T | 31.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | cis | -158.8 | 133.9 | -4.1 | -67 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1327 | G | 29.1 | Very low | 31.1 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | 60.3 | 131.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 1328 | G | 30.7 | Very low | 31.2 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 92% | 0.918 | 73% | 0.732 | S | S | * | * | trans | 85.2 | 151.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1329 | G | 29.1 | Very low | 31.5 | Very low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | cis | 149 | 115.9 | -10.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1330 | L | 30.3 | Very low | 32 | Very low | 127 Ų | 127 | 118 Ų | 118 | 67% | 0.665 | 73% | 0.726 | S | S | * | * | trans | 71.5 | 136 | 173.8 | -52.7 | 159.5 | 0 | 0 | 0 | 113.2 | C501 | C501-L1330 HydrophobicContact CB-CD1 3.37Å; C501-L1330 HydrophobicContact CB-CD2 4.37Å; C501-L1330 HydrophobicContact CB-CG 4.46Å | ||
| 1331 | S | 28.5 | Very low | 31.9 | Very low | 90 Ų | 90 | 116.7 Ų | 116.7 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | 62.1 | 129.8 | 90 | -150.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1332 | S | 29.3 | Very low | 32.1 | Very low | 76 Ų | 76 | 114.3 Ų | 114.3 | 53% | 0.531 | 72% | 0.724 | S | S | . | * | cis | -136 | -169.8 | 8.4 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1333 | D | 32.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | trans | 59.2 | 110.2 | 157.9 | -54.7 | -53.7 | 0 | 0 | 0 | 118.5 | ||||
| 1334 | N | 30.7 | Very low | 32.3 | Very low | 150 Ų | 150 | 116.4 Ų | 116.4 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | 86.9 | 155.6 | 77.5 | -161.8 | 12 | 0 | 0 | 0 | 112.8 | |||||
| 1335 | E | 31.5 | Very low | 32.3 | Very low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | 74.6 | 142.2 | -173.6 | -56 | -159.3 | 170.1 | 0 | 0 | 119.5 | ||||
| 1336 | N | 33.3 | Very low | 32.4 | Very low | 121 Ų | 121 | 117 Ų | 117 | 65% | 0.647 | 73% | 0.725 | S | S | * | * | trans | 69.9 | 56 | 151.2 | -155.6 | 17 | 0 | 0 | 0 | 120.6 | N1338 | N1336-N1338 PolarHBondContact OD1-ND2 2.67Š| ||
| 1337 | M | 32.4 | Very low | 32.3 | Very low | 193 Ų | 193 | 120.9 Ų | 120.9 | 95% | 0.951 | 72% | 0.724 | S | S | * | * | trans | -94.4 | 71.9 | 145 | -82.2 | -71.7 | -175.5 | 0 | 0 | 110.2 | ||||
| 1338 | N | 35.7 | Very low | 32.1 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -74 | 126.7 | 171.3 | -93.6 | -71 | 0 | 0 | 0 | 110.9 | N1336 | N1336-N1338 PolarHBondContact OD1-ND2 2.67Š|
| 1339 | P | 41.2 | Very low | 32.1 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 62% | 0.623 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 156.6 | 165.8 | 32.6 | -34.2 | 0 | 0 | 0 | 110.4 | L1341 | P1339-L1341 PolarHBondContact O-N 3.26Š|
| 1340 | P | 43.1 | Very low | 32.1 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 122.3 | 176.1 | 26.9 | -33.7 | 0 | 0 | 0 | 110.8 | I1480 | P1340-I1480 HydrophobicContact CB-CD1 4.09Š|
| 1341 | L | 30.4 | Very low | 32 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 56% | 0.56 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 156.8 | 175 | -73.2 | 162 | 0 | 0 | 0 | 111.3 | P1339 N1343 | P1339-L1341 PolarHBondContact O-N 3.26Å; L1341-N1343 HydrophobicContact CD2-CB 4.39Å |
| 1342 | S | 35.5 | Very low | 32 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -150.8 | 56.8 | 148.9 | 38.7 | 0 | 0 | 0 | 0 | 109 | I1344 | S1342-I1344 PolarHBondContact O-N 3.31Å; S1342-I1344 VanDerWaalsContact O-N 3.15Å | ||
| 1343 | N | 31.1 | Very low | 32 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -72.5 | 101.2 | -178.7 | -131.4 | -26.2 | 0 | 0 | 0 | 109.9 | L1341 | L1341-N1343 HydrophobicContact CD2-CB 4.39Š| ||
| 1344 | I | 35 | Very low | 32.2 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | -108 | 96.4 | 166.9 | -62.9 | -176.2 | 0 | 0 | 0 | 108.8 | S1342 C1346 | S1342-I1344 PolarHBondContact O-N 3.31Å; S1342-I1344 VanDerWaalsContact O-N 3.15Å; I1344-C1346 PolarHBondContact O-N 3.18Å | ||
| 1345 | A | 28.5 | Very low | 32.1 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -83.4 | 110.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1346 | C | 31 | Very low | 32 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -117.2 | 97.1 | 153 | -83.7 | 0 | 0 | 0 | 0 | 107.5 | I1344 | I1344-C1346 PolarHBondContact O-N 3.18Š| ||
| 1347 | R | 28.7 | Very low | 31.8 | Very low | 225 Ų | 225 | 141.1 Ų | 141.1 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | 66.7 | 116.5 | 84.5 | -72.4 | -177.2 | 178.8 | -151 | 1.3 | 112.7 | L1349 | R1347-L1349 PolarHBondContact O-N 3.45Š| |||
| 1348 | R | 25.4 | Very low | 31.8 | Very low | 231 Ų | 231 | 138.5 Ų | 138.5 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -3.3 | 112.5 | 155.1 | -58.7 | 174.1 | -175.9 | 158.8 | -0.9 | 115 | ||||
| 1349 | L | 31.3 | Very low | 31.5 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -121.7 | 76.2 | 142.8 | -76.1 | 177.6 | 0 | 0 | 0 | 108.7 | R1347 D1351 | R1347-L1349 PolarHBondContact O-N 3.45Å; L1349-D1351 VanDerWaalsContact C-N 3.29Å; L1349-D1351 HydrophobicContact CD2-CB 4.49Å; L1349-D1351 PolarHBondContact O-N 2.83Å | ||
| 1350 | T | 28.4 | Very low | 30.9 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -67.6 | 98.9 | 135.7 | 46.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1351 | D | 29 | Very low | 30.5 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -140.8 | 147.3 | 161.8 | -102.4 | -40 | 0 | 0 | 0 | 109.2 | L1349 | L1349-D1351 VanDerWaalsContact C-N 3.29Å; L1349-D1351 HydrophobicContact CD2-CB 4.49Å; L1349-D1351 PolarHBondContact O-N 2.83Å | ||
| 1352 | A | 28.7 | Very low | 30.6 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | trans | -87.1 | -172.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1353 | D | 28.2 | Very low | 30.4 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | 67.7 | 126.9 | 177.5 | -50.3 | -29.7 | 0 | 0 | 0 | 113.1 | ||||
| 1354 | L | 36.4 | Very low | 30.6 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | cis | -140.3 | 85.2 | 30.7 | -75.2 | 164.3 | 0 | 0 | 0 | 112.6 | V1356 | L1354-V1356 HydrophobicContact CB-CG2 4.05Å; L1354-V1356 HydrophobicContact CD2-CG2 3.7Å; L1354-V1356 HydrophobicContact CG-CG2 4.45Å; L1354-V1356 PolarHBondContact O-N 3.05Å | ||
| 1355 | F | 28.5 | Very low | 30.5 | Very low | 220 Ų | 220 | 143 Ų | 143 | 97% | 0.965 | 77% | 0.766 | S | S | * | * | trans | -76.4 | 69.7 | 156.3 | -105.4 | -80.3 | 0 | 0 | 0 | 109.5 | K1357 | F1355-K1357 PolarHBondContact O-N 3.22Š| ||
| 1356 | V | 30.6 | Very low | 30.6 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | -76.6 | 97.4 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | L1354 | L1354-V1356 HydrophobicContact CB-CG2 4.05Å; L1354-V1356 HydrophobicContact CD2-CG2 3.7Å; L1354-V1356 HydrophobicContact CG-CG2 4.45Å; L1354-V1356 PolarHBondContact O-N 3.05Å | ||
| 1357 | K | 28.2 | Very low | 30.8 | Very low | 150 Ų | 150 | 150.5 Ų | 150.5 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | trans | -50.6 | 141.6 | 163.8 | -62.1 | 177 | 176.5 | -177.4 | 0 | 109.9 | F1355 L1359 | F1355-K1357 PolarHBondContact O-N 3.22Å; K1357-L1359 HydrophobicContact CB-CB 4.31Å; K1357-L1359 HydrophobicContact CB-CG 4.21Å; K1357-L1359 HydrophobicContact CD-CD1 4.09Å; K1357-L1359 HydrophobicContact CD-CG 3.97Å; K1357-L1359 PolarHBondContact O-N 2.81Å | ||
| 1358 | P | 32.7 | Very low | 30.9 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -64.1 | 86.1 | 141.6 | -4.8 | 22.7 | 0 | 0 | 0 | 106.6 | ||||
| 1359 | L | 29.2 | Very low | 31.2 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | trans | -74.3 | 150.5 | 173 | -121.3 | 156.6 | 0 | 0 | 0 | 108.7 | K1357 | K1357-L1359 HydrophobicContact CB-CB 4.31Å; K1357-L1359 HydrophobicContact CB-CG 4.21Å; K1357-L1359 HydrophobicContact CD-CD1 4.09Å; K1357-L1359 HydrophobicContact CD-CG 3.97Å; K1357-L1359 PolarHBondContact O-N 2.81Å | ||
| 1360 | D | 29.5 | Very low | 31.4 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | -49.7 | 149.7 | -173.5 | -59.3 | -88.8 | 0 | 0 | 0 | 113.8 | A1362 | D1360-A1362 HydrophobicContact CB-CB 4.27Å; D1360-A1362 PolarHBondContact O-N 3.04Å | ||
| 1361 | P | 34.5 | Very low | 31.5 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -68.8 | 65.4 | 155.2 | 33 | -34.2 | 0 | 0 | 0 | 109.4 | H1363 | P1361-H1363 PolarHBondContact O-N 2.89Š| ||
| 1362 | A | 31.5 | Very low | 31.9 | Very low | 69 Ų | 69 | 149.4 Ų | 149.4 | 57% | 0.57 | 77% | 0.769 | S | S | * | * | trans | -62.2 | 130.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1360 V1364 | D1360-A1362 HydrophobicContact CB-CB 4.27Å; D1360-A1362 PolarHBondContact O-N 3.04Å; A1362-V1364 PolarHBondContact O-N 3.21Å | ||
| 1363 | H | 33.1 | Very low | 32 | Very low | 202 Ų | 202 | 152 Ų | 152 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | trans | -60.3 | 103.2 | 179.5 | -114.2 | -43.6 | 0 | 0 | 0 | 112 | P1361 | P1361-H1363 PolarHBondContact O-N 2.89Š| ||
| 1364 | V | 34.7 | Very low | 32.4 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | -120 | 77.6 | 172.6 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | A1362 | A1362-V1364 PolarHBondContact O-N 3.21Š| ||
| 1365 | H | 31.6 | Very low | 32 | Very low | 150 Ų | 150 | 154.4 Ų | 154.4 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | 48.5 | 131 | 123.3 | -121.8 | 41.1 | 0 | 0 | 0 | 122 | |||||
| 1366 | R | 31 | Very low | 32.2 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | 74.1 | 146.4 | 160.8 | -54 | 174.1 | 173.8 | -174.2 | 0.6 | 116.1 | ||||
| 1367 | H | 36 | Very low | 32.5 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | cis | -129.8 | 131.5 | -0.5 | -82.6 | -72 | 0 | 0 | 0 | 109.1 | ||||
| 1368 | R | 30.4 | Very low | 32.8 | Very low | 225 Ų | 225 | 149.1 Ų | 149.1 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | 63.7 | 115.9 | 83 | -162.6 | -167.8 | -166.8 | -168.6 | 7.5 | 115.2 | |||||
| 1369 | S | 31.4 | Very low | 32.6 | Very low | 97 Ų | 97 | 153.2 Ų | 153.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | 88.3 | 140.8 | 174 | -43.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1370 | K | 35.5 | Very low | 32.7 | Very low | 198 Ų | 198 | 152.7 Ų | 152.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | cis | -156.4 | 160.6 | -4.7 | -119.6 | 168.7 | -172 | 177.8 | 0 | 109.7 | ||||
| 1371 | K | 31.5 | Very low | 32.7 | Very low | 192 Ų | 192 | 154 Ų | 154 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -59.4 | 152.5 | 169.8 | -57.2 | -176.1 | 177.6 | -168.8 | 0 | 111.6 | ||||
| 1372 | V | 36 | Very low | 32.5 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | -164.7 | 127.7 | 124.2 | 137.9 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1373 | D | 32.1 | Very low | 32.4 | Very low | 135 Ų | 135 | 154.9 Ų | 154.9 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -72.7 | 154.6 | 170.9 | -43.9 | -100.2 | 0 | 0 | 0 | 110.7 | ||||
| 1374 | T | 35.2 | Very low | 32.2 | Very low | 133 Ų | 133 | 150.4 Ų | 150.4 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -177.8 | 133.3 | 132.8 | -79.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1375 | Y | 28.2 | Very low | 31.9 | Very low | 215 Ų | 215 | 149 Ų | 149 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -40.4 | 141.3 | 165.9 | -61.1 | -102.2 | 0 | 0 | 0 | 115.3 | ||||
| 1376 | S | 32.9 | Very low | 31.7 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | -178.2 | 112.8 | 121.4 | -81.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1377 | T | 37 | Very low | 31.6 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 149.2 | 149.5 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1378 | P | 34.4 | Very low | 31.3 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | -134.9 | 159.2 | 120.5 | 37.8 | -29.7 | 0 | 0 | 0 | 115 | |||||
| 1379 | R | 29.6 | Very low | 31.3 | Very low | 223 Ų | 223 | 137.5 Ų | 137.5 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -54.9 | 163.7 | 159.4 | -61.1 | 165.7 | 169.7 | 168.3 | -7.1 | 109.4 | ||||
| 1380 | T | 30.3 | Very low | 31.4 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | -170.8 | 146.1 | 64.7 | 42.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1381 | N | 30.6 | Very low | 31.1 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 48.9 | 129.8 | 136.2 | -45.6 | -4.3 | 0 | 0 | 0 | 119.9 | ||||
| 1382 | G | 29.9 | Very low | 31.1 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | cis | 144.5 | -178.6 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1383 | I | 30.1 | Very low | 31.2 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 78% | 0.782 | S | S | * | * | trans | 68.4 | 99.8 | 164.1 | -45.3 | 176.8 | 0 | 0 | 0 | 114.2 | ||||
| 1384 | S | 28.5 | Very low | 31.3 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | 67.6 | 148.7 | 85 | -44.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 1385 | S | 28.5 | Very low | 31.2 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | cis | -155.7 | 162.6 | 23.8 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1386 | T | 27.5 | Very low | 31.6 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 35.3 | 129.2 | 142.9 | 57.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1387 | S | 29.2 | Very low | 31.6 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | -162.1 | 178.9 | 72.7 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1388 | S | 28.3 | Very low | 31.5 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -113.5 | 153.8 | -165.4 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1389 | V | 30.6 | Very low | 31.3 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | 177.5 | 161.4 | 122.1 | 148.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1390 | Q | 32.7 | Very low | 31.4 | Very low | 165 Ų | 165 | 122.4 Ų | 122.4 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -46.1 | 162.2 | 171.9 | -70.8 | 84.7 | -26.8 | 0 | 0 | 113.1 | ||||
| 1391 | S | 29.4 | Very low | 31.7 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -164.8 | -179.2 | 39 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1392 | I | 32.3 | Very low | 32.1 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | cis | -149 | 155.7 | 1.3 | -140.3 | 152.3 | 0 | 0 | 0 | 108 | ||||
| 1393 | D | 37.2 | Very low | 32.2 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -73.8 | 144.5 | 174.5 | -67.6 | -74.4 | 0 | 0 | 0 | 112.1 | ||||
| 1394 | D | 34.2 | Very low | 32.2 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -148 | 146 | 170.5 | -143.9 | -15 | 0 | 0 | 0 | 113.9 | ||||
| 1395 | L | 33.4 | Very low | 32.5 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 58.3 | 96.6 | 168.5 | -50.7 | -176.3 | 0 | 0 | 0 | 120.3 | ||||
| 1396 | S | 37.5 | Very low | 32.7 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | -168.9 | 132.1 | 113.2 | -81.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1397 | G | 32.7 | Very low | 33 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -151.3 | 179.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1398 | A | 34.7 | Very low | 33.2 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 69.7 | 144.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1399 | S | 30.8 | Very low | 33.6 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | -171.5 | 163.1 | -5.1 | -105.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1400 | S | 31.3 | Very low | 33.8 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -173 | -171.4 | -9.4 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1401 | I | 35.9 | Very low | 33.9 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | 87.2 | 93.1 | 158 | -46.6 | -175.9 | 0 | 0 | 0 | 118.7 | ||||
| 1402 | R | 40 | Very low | 34.5 | Very low | 238 Ų | 238 | 137.3 Ų | 137.3 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 67.7 | 152.4 | 140.6 | -68.1 | 178.2 | 170.6 | -171.5 | -4.9 | 119.7 | ||||
| 1403 | S | 32.3 | Very low | 34.7 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | cis | -161.8 | 126.4 | -14.5 | 165.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1404 | S | 28.9 | Very low | 34.7 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | 43.6 | 104.7 | 138.4 | -33.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1405 | K | 34.8 | Very low | 34.8 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | 175.3 | 152.9 | 94.5 | -96.4 | -172.2 | 174.1 | -172.1 | 0 | 114.5 | |||||
| 1406 | S | 32.3 | Very low | 35.2 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 46.8 | 107 | 158 | 57.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1407 | S | 34.4 | Very low | 34.9 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -138.2 | 133.3 | 143.7 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1408 | I | 33 | Very low | 35.1 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 67% | 0.667 | 80% | 0.8 | S | S | * | * | trans | -118.9 | 130.2 | 174.3 | -73.6 | 176.5 | 0 | 0 | 0 | 107.1 | ||||
| 1409 | A | 36.6 | Very low | 35.1 | Very low | 96 Ų | 96 | 148.6 Ų | 148.6 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -93 | 139.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1410 | F | 35.7 | Very low | 35 | Very low | 198 Ų | 198 | 150 Ų | 150 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 136.2 | 175.2 | -78.3 | -88.2 | 0 | 0 | 0 | 111.6 | ||
| 1411 | E | 34.6 | Very low | 35.1 | Very low | 191 Ų | 191 | 156.1 Ų | 156.1 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 127.9 | 176.7 | -172.9 | 172.5 | -147.9 | 0 | 0 | 110.8 | K1413 | E1411-K1413 PolarHBondContact O-N 3.17Š|
| 1412 | I | 41.6 | Very low | 34.9 | Very low | 155 Ų | 155 | 160.9 Ų | 160.9 | 80% | 0.795 | 82% | 0.817 | S | S | * | * | trans | -82.4 | 115.7 | -178.9 | -61 | 176 | 0 | 0 | 0 | 109.5 | N1414 | I1412-N1414 PolarHBondContact O-N 3.49Š| ||
| 1413 | K | 37.7 | Very low | 34.4 | Very low | 187 Ų | 187 | 157.6 Ų | 157.6 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -58.7 | 124.3 | 172 | -72.8 | -172.3 | 176.5 | -176.1 | 0 | 110.9 | E1411 | E1411-K1413 PolarHBondContact O-N 3.17Š| ||
| 1414 | N | 37.4 | Very low | 34.4 | Very low | 156 Ų | 156 | 158.7 Ų | 158.7 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -120.4 | 63.8 | -178.6 | -146.9 | -8.9 | 0 | 0 | 0 | 111.4 | I1412 Q1416 | I1412-N1414 PolarHBondContact O-N 3.49Å; N1414-Q1416 PolarHBondContact O-N 3.04Å | ||
| 1415 | D | 34.5 | Very low | 34.4 | Very low | 149 Ų | 149 | 157.5 Ų | 157.5 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -80.7 | 89.8 | 179.5 | -99 | -54.7 | 0 | 0 | 0 | 111.8 | ||||
| 1416 | Q | 41.7 | Very low | 34.4 | Very low | 178 Ų | 178 | 155.2 Ų | 155.2 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -149.9 | 124.1 | 159.4 | -125.9 | 167.4 | 76.9 | 0 | 0 | 114.4 | N1414 V1418 | N1414-Q1416 PolarHBondContact O-N 3.04Å; Q1416-V1418 PolarHBondContact O-N 3.02Å | ||
| 1417 | K | 31.7 | Very low | 34.3 | Very low | 212 Ų | 212 | 155.1 Ų | 155.1 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | trans | -72.5 | 113.9 | 179.9 | -66.4 | 169.7 | -179.1 | 166.9 | 0 | 110.8 | ||||
| 1418 | V | 38 | Very low | 34.2 | Very low | 127 Ų | 127 | 154.4 Ų | 154.4 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -120.5 | 123.6 | 164.8 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | Q1416 V1420 | Q1416-V1418 PolarHBondContact O-N 3.02Å; V1418-V1420 PolarHBondContact O-N 3.06Å | ||
| 1419 | T | 34 | Very low | 34 | Very low | 128 Ų | 128 | 155.8 Ų | 155.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -70.7 | 115.7 | -173.3 | -42.8 | 0 | 0 | 0 | 0 | 111.6 | R1421 | T1419-R1421 PolarHBondContact O-N 3.34Š| ||
| 1420 | V | 29.3 | Very low | 33.7 | Very low | 143 Ų | 143 | 158.4 Ų | 158.4 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -66.4 | 98.7 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 111 | V1418 | V1418-V1420 PolarHBondContact O-N 3.06Š| ||
| 1421 | R | 33.9 | Very low | 33.3 | Very low | 232 Ų | 232 | 154.4 Ų | 154.4 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | -100.1 | 116 | 165 | -97.8 | -175.7 | 172 | 163.7 | -1.1 | 109.8 | T1419 L1423 | T1419-R1421 PolarHBondContact O-N 3.34Å; R1421-L1423 PolarHBondContact O-N 3.2Å | ||
| 1422 | R | 30.7 | Very low | 33.3 | Very low | 237 Ų | 237 | 149.8 Ų | 149.8 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -53 | 131 | 167.4 | -79.2 | 176.3 | 164.4 | 169.4 | -6.4 | 110.7 | ||||
| 1423 | L | 30.4 | Very low | 32.7 | Very low | 168 Ų | 168 | 149 Ų | 149 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -128 | 152.1 | 147.4 | -74.3 | 177.8 | 0 | 0 | 0 | 108.4 | R1421 | R1421-L1423 PolarHBondContact O-N 3.2Š| ||
| 1424 | P | 31.8 | Very low | 32.5 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -95.9 | 162.1 | -153.5 | 36.5 | -36.3 | 0 | 0 | 0 | 114.8 | ||||
| 1425 | A | 27.7 | Very low | 32.3 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -68.4 | 141 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1427 | A1425-T1427 PolarHBondContact O-N 3.27Å; A1425-T1427 VanDerWaalsContact O-N 3.13Å | ||
| 1426 | P | 36.1 | Very low | 32.3 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -83.1 | 83.4 | 179.1 | 33.1 | -34.6 | 0 | 0 | 0 | 112 | ||||
| 1427 | T | 29.7 | Very low | 31.9 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -88.8 | 112.5 | 172.6 | 47 | 0 | 0 | 0 | 0 | 112.7 | A1425 | A1425-T1427 PolarHBondContact O-N 3.27Å; A1425-T1427 VanDerWaalsContact O-N 3.13Å | ||
| 1428 | S | 31.4 | Very low | 32 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 67.1 | 160.5 | 157.9 | 75.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1429 | Q | 29.8 | Very low | 31.6 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -151.5 | -179 | 25.1 | -59.3 | -177 | -15.7 | 0 | 0 | 113.6 | ||||
| 1430 | L | 29.4 | Very low | 31.6 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 94.6 | 126.7 | 139.8 | -85.1 | 159.6 | 0 | 0 | 0 | 122.2 | ||||
| 1431 | S | 29 | Very low | 31.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 66.6 | 132.9 | 157.7 | -93.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1432 | S | 33.3 | Very low | 31.5 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | cis | -153.6 | 132.9 | -5.8 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1433 | Q | 28.7 | Very low | 31.5 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 64% | 0.64 | 72% | 0.722 | S | S | * | * | 49.1 | 110.5 | 120.5 | -161.7 | -176.3 | 5.8 | 0 | 0 | 118.5 | |||||
| 1434 | Y | 34.4 | Very low | 31.4 | Very low | 196 Ų | 196 | 127.8 Ų | 127.8 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | -169.1 | 153.9 | 100.7 | -105 | -71.4 | 0 | 0 | 0 | 113.7 | |||||
| 1435 | H | 32.2 | Very low | 31.6 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 70% | 0.704 | 72% | 0.721 | S | S | * | * | trans | -58 | 170.6 | 171.5 | -65.1 | -55.5 | 0 | 0 | 0 | 113.4 | ||||
| 1436 | N | 34.9 | Very low | 31.8 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | cis | -156.2 | 163 | 28.6 | -147 | -4.5 | 0 | 0 | 0 | 116.6 | ||||
| 1437 | N | 32.6 | Very low | 31.5 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -68.7 | 149.3 | 173.7 | -39.6 | -70.8 | 0 | 0 | 0 | 112.3 | ||||
| 1438 | N | 34.1 | Very low | 31.8 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | -177.8 | 130.3 | 109.1 | -87.3 | -14.3 | 0 | 0 | 0 | 108.7 | |||||
| 1439 | S | 30.7 | Very low | 31.7 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | 84.2 | 147.5 | 52.6 | -168.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1440 | D | 33.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | trans | 69.2 | 134.2 | 168.8 | -57.4 | -76.7 | 0 | 0 | 0 | 116.9 | ||||
| 1441 | N | 31.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | cis | -164.9 | 148.1 | -1 | -122.4 | -38.1 | 0 | 0 | 0 | 113 | ||||
| 1442 | N | 29.5 | Very low | 32 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | 19.6 | 120 | 129 | -82.4 | -68.7 | 0 | 0 | 0 | 117.7 | |||||
| 1443 | K | 30.6 | Very low | 31.9 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | -177.7 | 149 | 68.3 | -103.2 | 129.1 | -170.4 | 164.8 | 0 | 115.1 | |||||
| 1444 | S | 29 | Very low | 32.1 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -12.5 | 129.9 | 145.4 | -42 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1445 | R | 36.3 | Very low | 31.8 | Very low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | -170.3 | 117.8 | 127.7 | -98.4 | 152.9 | -170.8 | -160.5 | 2.4 | 107.7 | |||||
| 1446 | K | 32.1 | Very low | 31.7 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | cis | 65.3 | 135.7 | 44.6 | -161.2 | 174.7 | -176.2 | 172.4 | 0 | 112.7 | ||||
| 1447 | L | 29.5 | Very low | 31.7 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | 88.3 | 136.1 | -178.9 | -64.2 | 117.3 | 0 | 0 | 0 | 116.1 | ||||
| 1448 | G | 34.4 | Very low | 31.6 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 165.1 | 27.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1450 | G1448-S1450 PolarHBondContact O-N 3.45Š| ||
| 1449 | Q | 30.4 | Very low | 31.3 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -65.2 | 125 | 178.5 | -69.7 | 173.3 | -21.7 | 0 | 0 | 111.4 | ||||
| 1450 | S | 31.5 | Very low | 31.4 | Very low | 102 Ų | 102 | 152.4 Ų | 152.4 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -160.6 | 94.6 | 148.3 | -89.5 | 0 | 0 | 0 | 0 | 112.6 | G1448 K1452 | G1448-S1450 PolarHBondContact O-N 3.45Å; S1450-K1452 PolarHBondContact O-N 3.04Å | ||
| 1451 | T | 30.2 | Very low | 31.2 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -60.6 | 118 | 149 | 38.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1452 | K | 32.2 | Very low | 31.3 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -153.3 | 120.3 | 161.1 | -111.5 | 146.3 | -170 | 173 | 0 | 112.6 | S1450 | S1450-K1452 PolarHBondContact O-N 3.04Š| ||
| 1453 | K | 32.4 | Very low | 31.4 | Very low | 190 Ų | 190 | 155.6 Ų | 155.6 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -54.1 | 143.3 | 169 | -50 | 167.4 | -178.6 | 179.7 | 0 | 109.9 | ||||
| 1454 | L | 31.1 | Very low | 31.3 | Very low | 161 Ų | 161 | 152.6 Ų | 152.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -155.7 | 84.1 | 144.1 | -110.5 | 169.8 | 0 | 0 | 0 | 111.2 | ||||
| 1455 | N | 29.2 | Very low | 31.3 | Very low | 116 Ų | 116 | 153.7 Ų | 153.7 | 62% | 0.62 | 82% | 0.82 | S | S | * | * | trans | 43.6 | 136.1 | 131.3 | -56.6 | 1.2 | 0 | 0 | 0 | 121.5 | ||||
| 1456 | N | 30.3 | Very low | 31.1 | Very low | 132 Ų | 132 | 148 Ų | 148 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | 67.2 | 103 | 145.1 | -54.7 | -8.1 | 0 | 0 | 0 | 118 | ||||
| 1457 | F | 34.9 | Very low | 30.9 | Very low | 223 Ų | 223 | 148.4 Ų | 148.4 | 98% | 0.978 | 82% | 0.819 | S | S | * | * | -126.9 | 153.4 | 89.8 | -114.9 | -87.9 | 0 | 0 | 0 | 110.3 | |||||
| 1458 | N | 30.5 | Very low | 30.9 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 82% | 0.819 | S | S | * | * | trans | -117.8 | 148.9 | -153.7 | -171.2 | 24.1 | 0 | 0 | 0 | 113.1 | ||||
| 1459 | C | 26.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -61.7 | 133.2 | 172.4 | -58 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1460 | K | 33.9 | Very low | 30.6 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -127.9 | 113.1 | 146.2 | -71.5 | -175.1 | 177.2 | -178.8 | 0 | 106.4 | ||||
| 1461 | S | 28.1 | Very low | 30.5 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 72.7 | 83.9 | 51.5 | 85.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1462 | A | 34.1 | Very low | 30.7 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -135.5 | 15.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1463 | F | 31 | Very low | 30.7 | Very low | 215 Ų | 215 | 147.9 Ų | 147.9 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -92.8 | 101.7 | 157.8 | -99.6 | -79.8 | 0 | 0 | 0 | 108 | ||||
| 1464 | S | 29.9 | Very low | 30.7 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -150.3 | 88 | 170.7 | -94 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1465 | S | 29.3 | Very low | 30.7 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -3.6 | 122.6 | 143.8 | -49.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1466 | S | 30.5 | Very low | 30.8 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -143.5 | 129.8 | 139.1 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1467 | K | 29.3 | Very low | 31.2 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -73.8 | 139.1 | 169.7 | -54 | 164.6 | -177.1 | 174.6 | 0 | 107.2 | ||||
| 1468 | L | 28.2 | Very low | 31.3 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | -165.6 | 153.2 | 118.5 | -126.4 | 69.2 | 0 | 0 | 0 | 113.2 | |||||
| 1469 | T | 29.2 | Very low | 31.6 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -77 | 157.1 | 179.4 | 49.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1470 | R | 29.4 | Very low | 32.2 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | 80.7 | 113.1 | 137.4 | 173 | 179 | 178 | -179.9 | 2.1 | 119.1 | ||||
| 1471 | T | 30.6 | Very low | 32.4 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 46.5 | 134.6 | 148 | 64.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1472 | T | 32.9 | Very low | 32.7 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | -161.9 | 158.4 | 59.2 | 41.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1473 | T | 32.3 | Very low | 32.6 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -29.8 | 130.6 | 153.5 | 50.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1474 | N | 32.2 | Very low | 32.7 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | 178.8 | 160 | 97.9 | -102.1 | -13.2 | 0 | 0 | 0 | 115.2 | |||||
| 1475 | T | 31.5 | Very low | 32.9 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -56.2 | 140.5 | 173 | 48.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1476 | S | 32.9 | Very low | 33.1 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -175.3 | 121.5 | 141.2 | -81.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1477 | T | 37.5 | Very low | 33.3 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -112.8 | 130.6 | 174.3 | -39.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1478 | P | 37.9 | Very low | 33.5 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -123.6 | 102.5 | 167.9 | 33.9 | -19.4 | 0 | 0 | 0 | 113.8 | ||||
| 1479 | L | 36.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 38.2 | 106.5 | 136.4 | -66.1 | 163.2 | 0 | 0 | 0 | 121.4 | ||||
| 1480 | I | 38.9 | Very low | 34.3 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 57% | 0.569 | 79% | 0.788 | S | S | * | * | 14.5 | 134.3 | 120.5 | -29.6 | 165.4 | 0 | 0 | 0 | 117.2 | P1340 | P1340-I1480 HydrophobicContact CB-CD1 4.09Š| |||
| 1481 | P | 39 | Very low | 34.7 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | -123.3 | 151.2 | 91.4 | 36.8 | -32.5 | 0 | 0 | 0 | 112.1 | |||||
| 1482 | Q | 34 | Very low | 35 | Very low | 210 Ų | 210 | 136.2 Ų | 136.2 | 98% | 0.981 | 79% | 0.792 | S | S | * | * | cis | -136.7 | 0 | 23.3 | 179 | 177.5 | 26.6 | 0 | 0 | 111.8 |
Retrieved 1,482 of 1,482 residues in 1549.6 ms
(Link to these results)