| 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 | 35.6 | Very low | 39.8 | Very low | 237 Ų | 237 | 143.2 Ų | 143.2 | 100% | 1.167 | 79% | 0.789 | S | S | * | * | 0 | 117.4 | 0 | -71.2 | 153.8 | 63.1 | 0 | 0 | 108.3 | G3 | M1-G3 PolarHBondContact O-N 2.74Š| |||
| 2 | F | 28.9 | Very low | 41.7 | Very low | 225 Ų | 225 | 134.3 Ų | 134.3 | 99% | 0.987 | 74% | 0.743 | S | S | * | * | trans | -96.5 | 82.6 | -180 | -79.9 | -76.5 | 0 | 0 | 0 | 111.5 | ||||
| 3 | G | 34.4 | Very low | 43.3 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -89.1 | 107.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | M1 G5 | M1-G3 PolarHBondContact O-N 2.74Å; G3-G5 PolarHBondContact O-N 2.72Å | ||
| 4 | R | 30.3 | Very low | 45.6 | Very low | 240 Ų | 240 | 141.9 Ų | 141.9 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | trans | -71.5 | 111.3 | 172.9 | -82.1 | -177.3 | 168.8 | -178.8 | -4.2 | 110.2 | K6 | R4-K6 PolarHBondContact O-N 3.45Å; R4-K6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | G | 32.3 | Very low | 47.9 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -65.9 | 108.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G3 | G3-G5 PolarHBondContact O-N 2.72Š| ||
| 6 | K | 32.6 | Very low | 50.3 | Low | 198 Ų | 198 | 132.9 Ų | 132.9 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | trans | -98.6 | 88.9 | 164.1 | -79.4 | -173.7 | 173.7 | -177.3 | 0 | 108.9 | R4 S8 | R4-K6 PolarHBondContact O-N 3.45Å; R4-K6 VanDerWaalsContact O-N 3.16Å; K6-S8 PolarHBondContact O-N 3.26Å | ||
| 7 | S | 35.2 | Very low | 52.6 | Low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -73.9 | 107.4 | 168.6 | 39 | 0 | 0 | 0 | 0 | 109.8 | L9 | S7-L9 PolarHBondContact O-N 3.27Å; S7-L9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | S | 38.1 | Very low | 54.7 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -76.7 | 90.5 | 168.1 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | K6 S10 | K6-S8 PolarHBondContact O-N 3.26Å; S8-S10 PolarHBondContact O-N 3.16Å | ||
| 9 | L | 49.9 | Very low | 56.6 | Low | 62 Ų | 62 | 118.7 Ų | 118.7 | 33% | 0.325 | 63% | 0.63 | S | S | . | * | trans | -56.2 | 112 | 173.5 | -114.4 | 69.5 | 0 | 0 | 0 | 109.8 | S7 R22 Y23 | S7-L9 PolarHBondContact O-N 3.27Å; S7-L9 VanDerWaalsContact O-N 3.11Å; L9-R22 HydrophobicContact CD2-CB 4.22Å; L9-Y23 HydrophobicContact CB-CD2 4.42Å | ||
| 10 | S | 57.6 | Low | 58.3 | Low | 98 Ų | 98 | 113.2 Ų | 113.2 | 69% | 0.685 | 60% | 0.6 | S | S | * | * | trans | -75.6 | 149.1 | 171.8 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | S8 P12 | S8-S10 PolarHBondContact O-N 3.16Å; S10-P12 WeakPolarHBondContact O-CD 3.41Å; S10-P12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | K | 62.4 | Low | 60 | Low | 139 Ų | 139 | 107.8 Ų | 107.8 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | trans | -57.9 | 114.5 | -180 | -161.8 | 170.5 | -171.4 | -177.3 | 0 | 110 | Y23 | K11-Y23 HydrophobicContact CB-CE1 4.23Å; K11-Y23 HydrophobicContact CB-CE2 4.19Å; K11-Y23 HydrophobicContact CD-CE1 4.21Å; K11-Y23 HydrophobicContact CG-CD1 4.29Å; K11-Y23 HydrophobicContact CG-CE1 3.73Å | ||
| 12 | P | 62.6 | Low | 62.8 | Low | 36 Ų | 36 | 101.3 Ų | 101.3 | 23% | 0.234 | 53% | 0.534 | C | S | . | . | trans | -79.2 | 157.6 | -168.1 | 29.6 | -33.4 | 0 | 0 | 0 | 113 | S10 N20 | S10-P12 WeakPolarHBondContact O-CD 3.41Å; S10-P12 VanDerWaalsContact O-N 3.13Å; P12-N20 HydrophobicContact CG-CB 3.71Å | ||
| 13 | K | 63 | Low | 65.9 | Low | 216 Ų | 216 | 92.9 Ų | 92.9 | 94% | 0.939 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -77.1 | -20.8 | -171.9 | -69 | -170.9 | 177.4 | -175 | 0 | 115.7 | ||
| 14 | K | 75.8 | Confident | 68.7 | Low | 159 Ų | 159 | 89.6 Ų | 89.6 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | trans | -100.3 | 113.7 | 177.3 | -78.7 | -167.4 | 173.1 | -170.7 | 0 | 109.9 | S17 | K14-S17 PolarHBondContact O-OG 3.04Š| ||
| 15 | V | 79.3 | Confident | 71.8 | Confident | 66 Ų | 66 | 79.8 Ų | 79.8 | 40% | 0.4 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -58.1 | -58.8 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | S17 N20 L48 I52 | V15-S17 PolarHBondContact O-N 3.11Å; V15-N20 WeakPolarHBondContact O-CB 3.41Å; V15-N20 PolarHBondContact O-ND2 2.59Å; V15-L48 HydrophobicContact CG1-CD2 4.01Å; V15-I52 WeakPolarHBondContact O-CD1 3.27Å; V15-I52 WeakPolarHBondContact O-CG1 3.36Å |
| 16 | H | 86.5 | Confident | 74.7 | Confident | 74 Ų | 74 | 77 Ų | 77 | 34% | 0.343 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -80.2 | 99.4 | 170.2 | -35.7 | -69.4 | 0 | 0 | 0 | 109.4 | E51 W55 | H16-E51 IonicContact CE1-OE1 2.68Å; H16-E51 PolarHBondContact CE1-OE1 3.49Å; H16-E51 VanDerWaalsContact CE1-OE1 3.29Å; H16-W55 HydrophobicContact CB-CB 4.19Å; H16-W55 HydrophobicContact CB-CD2 3.49Å; H16-W55 VanDerWaalsContact CB-CD2 3.49Å; H16-W55 HydrophobicContact CB-CE3 3.74Å; H16-W55 HydrophobicContact CB-CG 3.67Å; H16-W55 HydrophobicContact CB-CZ3 4.39Å; H16-W55 AromaticContact CG-CG 3.82Å |
| 17 | S | 88.8 | Confident | 77.6 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 16% | 0.161 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -164.7 | 149.4 | 169.4 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | K14 V15 E19 N20 L21 | K14-S17 PolarHBondContact O-OG 3.04Å; V15-S17 PolarHBondContact O-N 3.11Å; S17-E19 PolarHBondContact O-N 2.92Å; S17-N20 PolarHBondContact O-N 2.73Å; S17-N20 PolarHBondContact OG-N 3.39Å; S17-L21 PolarHBondContact O-N 3.08Å; S17-L21 VanDerWaalsContact O-N 3.08Å |
| 18 | L | 90.5 | Very high | 80.4 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.8 | -32.6 | 171.6 | 175.4 | 57.2 | 0 | 0 | 0 | 112.6 | L21 R22 V63 F66 | L18-L21 PolarHBondContact O-N 3.23Å; L18-R22 VanDerWaalsContact CD2-NH2 3.32Å; L18-R22 WeakPolarHBondContact O-CG 3.31Å; L18-R22 PolarHBondContact O-N 3.29Å; L18-V63 HydrophobicContact CB-CG2 4.19Å; L18-F66 HydrophobicContact CD1-CB 3.45Å; L18-F66 VanDerWaalsContact CD1-CB 3.45Å; L18-F66 HydrophobicContact CD1-CD1 3.94Å; L18-F66 HydrophobicContact CD1-CD2 4.15Å; L18-F66 HydrophobicContact CD1-CG 3.58Å |
| 19 | E | 90.6 | Very high | 83 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.4 | -32.8 | 176.6 | -161 | 62.5 | -164.4 | 0 | 0 | 112.5 | S17 R22 Y23 | S17-E19 PolarHBondContact O-N 2.92Å; E19-R22 VanDerWaalsContact OE2-CD 3.27Å; E19-R22 WeakPolarHBondContact OE2-CD 3.29Å; E19-R22 IonicContact OE2-CZ 2.74Å; E19-R22 IonicContact OE2-NE 3.99Å; E19-R22 IonicContact OE2-NH1 2.74Å; E19-R22 PolarHBondContact OE2-NH1 3.45Å; E19-Y23 PolarHBondContact O-N 3.03Å |
| 20 | N | 91.9 | Very high | 85.1 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 171 | -161.9 | 28.1 | 0 | 0 | 0 | 111.6 | P12 V15 S17 R22 Y23 L24 I52 | P12-N20 HydrophobicContact CG-CB 3.71Å; V15-N20 WeakPolarHBondContact O-CB 3.41Å; V15-N20 PolarHBondContact O-ND2 2.59Å; S17-N20 PolarHBondContact O-N 2.73Å; S17-N20 PolarHBondContact OG-N 3.39Å; N20-R22 VanDerWaalsContact C-N 3.34Å; N20-R22 PolarHBondContact O-N 3.18Å; N20-Y23 WeakPolarHBondContact O-CB 3.38Å; N20-Y23 PolarHBondContact O-N 3.12Å; N20-L24 VanDerWaalsContact O-CG 3.29Å; N20-L24 WeakPolarHBondContact O-CG 3.48Å; N20-L24 PolarHBondContact O-N 2.88Å; N20-I52 HydrophobicContact CB-CD1 4.18Å; N20-I52 WeakPolarHBondContact ND2-CD1 3.29Å |
| 21 | L | 93.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 173.5 | -173.8 | 58.8 | 0 | 0 | 0 | 112.2 | S17 L18 L24 H25 I49 I52 L53 V63 F66 F67 I72 | S17-L21 PolarHBondContact O-N 3.08Å; S17-L21 VanDerWaalsContact O-N 3.08Å; L18-L21 PolarHBondContact O-N 3.23Å; L21-L24 PolarHBondContact O-N 3.27Å; L21-H25 WeakPolarHBondContact O-CB 3.44Å; L21-H25 PolarHBondContact O-N 3.07Å; L21-I49 HydrophobicContact CD1-CG1 4.08Å; L21-I49 HydrophobicContact CD1-CG2 4.35Å; L21-I52 HydrophobicContact CB-CG2 4.23Å; L21-L53 HydrophobicContact CD2-CD2 4.45Å; L21-V63 HydrophobicContact CD2-CG1 3.75Å; L21-V63 WeakPolarHBondContact CD2-O 3.32Å; L21-F66 HydrophobicContact CD2-CD1 3.82Å; L21-F66 HydrophobicContact CG-CD1 3.9Å; L21-F66 HydrophobicContact CG-CE1 4.17Å; L21-F67 HydrophobicContact CD2-CB 4.27Å; L21-I72 HydrophobicContact CD1-CD1 4.12Å; L21-I72 HydrophobicContact CG-CD1 4.39Å |
| 22 | R | 93.9 | Very high | 87.8 | Confident | 102 Ų | 102 | 63 Ų | 63 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 170.5 | -72.9 | 166.4 | -176.9 | 158.9 | 1.8 | 112.2 | L9 L18 E19 N20 S26 F66 | L9-R22 HydrophobicContact CD2-CB 4.22Å; L18-R22 VanDerWaalsContact CD2-NH2 3.32Å; L18-R22 WeakPolarHBondContact O-CG 3.31Å; L18-R22 PolarHBondContact O-N 3.29Å; E19-R22 VanDerWaalsContact OE2-CD 3.27Å; E19-R22 WeakPolarHBondContact OE2-CD 3.29Å; E19-R22 IonicContact OE2-CZ 2.74Å; E19-R22 IonicContact OE2-NE 3.99Å; E19-R22 IonicContact OE2-NH1 2.74Å; E19-R22 PolarHBondContact OE2-NH1 3.45Å; N20-R22 VanDerWaalsContact C-N 3.34Å; N20-R22 PolarHBondContact O-N 3.18Å; R22-S26 PolarHBondContact O-N 3.23Å; R22-F66 HydrophobicContact CB-CZ 4.27Å; R22-F66 HydrophobicContact CG-CD2 4.47Å; R22-F66 HydrophobicContact CG-CE1 3.96Å; R22-F66 HydrophobicContact CG-CE2 3.77Å; R22-F66 HydrophobicContact CG-CZ 3.48Å; R22-F66 VanDerWaalsContact CG-CZ 3.48Å |
| 23 | Y | 94.1 | Very high | 88.9 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 174.8 | 169 | -96.7 | 0 | 0 | 0 | 111.4 | L9 K11 E19 N20 S26 V27 | L9-Y23 HydrophobicContact CB-CD2 4.42Å; K11-Y23 HydrophobicContact CB-CE1 4.23Å; K11-Y23 HydrophobicContact CB-CE2 4.19Å; K11-Y23 HydrophobicContact CD-CE1 4.21Å; K11-Y23 HydrophobicContact CG-CD1 4.29Å; K11-Y23 HydrophobicContact CG-CE1 3.73Å; E19-Y23 PolarHBondContact O-N 3.03Å; N20-Y23 WeakPolarHBondContact O-CB 3.38Å; N20-Y23 PolarHBondContact O-N 3.12Å; Y23-S26 CarbonylContact O-C 3.21Å; Y23-S26 WeakPolarHBondContact O-CA 3.38Å; Y23-S26 WeakPolarHBondContact O-CB 3.29Å; Y23-S26 PolarHBondContact O-N 3.03Å; Y23-S26 VanDerWaalsContact O-N 3.08Å; Y23-S26 PolarHBondContact O-OG 2.86Å; Y23-V27 HydrophobicContact CD1-CG2 4.39Å; Y23-V27 HydrophobicContact CE1-CG2 3.86Å; Y23-V27 HydrophobicContact CE2-CG2 4.33Å; Y23-V27 PolarHBondContact O-N 3.09Å |
| 24 | L | 94 | Very high | 90 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | -179.2 | -67.5 | 171 | 0 | 0 | 0 | 112.3 | N20 L21 S26 V27 L28 A45 L48 I49 I52 | N20-L24 VanDerWaalsContact O-CG 3.29Å; N20-L24 WeakPolarHBondContact O-CG 3.48Å; N20-L24 PolarHBondContact O-N 2.88Å; L21-L24 PolarHBondContact O-N 3.27Å; L24-S26 VanDerWaalsContact C-N 3.26Å; L24-S26 PolarHBondContact O-N 3.39Å; L24-V27 WeakPolarHBondContact O-CA 3.33Å; L24-V27 WeakPolarHBondContact O-CB 3.43Å; L24-V27 PolarHBondContact O-N 3.17Å; L24-L28 PolarHBondContact O-N 2.71Å; L24-A45 HydrophobicContact CD2-CB 4Å; L24-L48 HydrophobicContact CD1-CB 3.78Å; L24-L48 HydrophobicContact CD2-CD1 4.42Å; L24-I49 HydrophobicContact CB-CD1 4.23Å; L24-I49 HydrophobicContact CB-CG1 4.03Å; L24-I49 HydrophobicContact CD1-CG1 4.02Å; L24-I52 HydrophobicContact CD1-CD1 3.53Å |
| 25 | H | 95.1 | Very high | 90.5 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.9 | -41.6 | 169.8 | 175.9 | -110.4 | 0 | 0 | 0 | 111.6 | L21 V27 L28 Q29 F66 K70 I72 Y75 | L21-H25 WeakPolarHBondContact O-CB 3.44Å; L21-H25 PolarHBondContact O-N 3.07Å; H25-V27 PolarHBondContact O-N 3.02Å; H25-L28 PolarHBondContact O-N 3.08Å; H25-Q29 WeakPolarHBondContact O-CB 3.42Å; H25-Q29 PolarHBondContact O-N 3.02Å; H25-F66 HydrophobicContact CB-CE1 4.29Å; H25-K70 PolarHBondContact NE2-O 3.2Å; H25-I72 HydrophobicContact CB-CD1 4.13Å; H25-Y75 AromaticContact NE2-CE2 3.1Å; H25-Y75 WeakPolarHBondContact NE2-CE2 3.42Å; H25-Y75 AromaticContact NE2-CZ 3.51Å; H25-Y75 PolarHBondContact NE2-OH 3.08Å |
| 26 | S | 93.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 57 Ų | 57 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.6 | -21 | 174.4 | 95.1 | 0 | 0 | 0 | 0 | 113.9 | R22 Y23 L24 K30 | R22-S26 PolarHBondContact O-N 3.23Å; Y23-S26 CarbonylContact O-C 3.21Å; Y23-S26 WeakPolarHBondContact O-CA 3.38Å; Y23-S26 WeakPolarHBondContact O-CB 3.29Å; Y23-S26 PolarHBondContact O-N 3.03Å; Y23-S26 VanDerWaalsContact O-N 3.08Å; Y23-S26 PolarHBondContact O-OG 2.86Å; L24-S26 VanDerWaalsContact C-N 3.26Å; L24-S26 PolarHBondContact O-N 3.39Å; S26-K30 WeakPolarHBondContact O-CD 3.22Å; S26-K30 VanDerWaalsContact O-CE 3.29Å; S26-K30 WeakPolarHBondContact O-CE 3.1Å; S26-K30 WeakPolarHBondContact O-CG 3.39Å; S26-K30 PolarHBondContact O-N 3.07Å; S26-K30 PolarHBondContact O-NZ 2.84Å; S26-K30 PolarHBondContact OG-NZ 3Å |
| 27 | V | 93.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -77.5 | -46 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | Y23 L24 H25 K30 N31 I41 A45 | Y23-V27 HydrophobicContact CD1-CG2 4.39Å; Y23-V27 HydrophobicContact CE1-CG2 3.86Å; Y23-V27 HydrophobicContact CE2-CG2 4.33Å; Y23-V27 PolarHBondContact O-N 3.09Å; L24-V27 WeakPolarHBondContact O-CA 3.33Å; L24-V27 WeakPolarHBondContact O-CB 3.43Å; L24-V27 PolarHBondContact O-N 3.17Å; H25-V27 PolarHBondContact O-N 3.02Å; V27-K30 PolarHBondContact O-N 3.45Å; V27-N31 PolarHBondContact O-N 2.87Å; V27-N31 VanDerWaalsContact O-N 3.14Å; V27-N31 PolarHBondContact O-ND2 3.31Å; V27-I41 HydrophobicContact CG1-CG2 3.82Å; V27-A45 HydrophobicContact CG1-CB 4.44Å |
| 28 | L | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 174.6 | -57.3 | -167.8 | 0 | 0 | 0 | 111.3 | L24 H25 K30 N31 L42 A45 I49 I72 Y75 F76 Y79 | L24-L28 PolarHBondContact O-N 2.71Å; H25-L28 PolarHBondContact O-N 3.08Å; L28-K30 PolarHBondContact O-N 2.92Å; L28-N31 CarbonylContact O-C 3.58Å; L28-N31 VanDerWaalsContact O-C 3.25Å; L28-N31 PolarHBondContact O-N 3.06Å; L28-L42 HydrophobicContact CD2-CD2 3.82Å; L28-A45 HydrophobicContact CD2-CB 4.24Å; L28-I49 HydrophobicContact CD1-CD1 3.7Å; L28-I49 HydrophobicContact CG-CD1 4.22Å; L28-I72 HydrophobicContact CD1-CG2 4.15Å; L28-Y75 HydrophobicContact CB-CD1 4.06Å; L28-Y75 HydrophobicContact CB-CG 4.31Å; L28-Y75 HydrophobicContact CD1-CG 4.42Å; L28-F76 HydrophobicContact CD1-CE1 4.25Å; L28-Y79 WeakPolarHBondContact CA-OH 3.3Å; L28-Y79 HydrophobicContact CD2-CE2 4.07Å; L28-Y79 PolarHBondContact O-OH 3.33Å |
| 29 | Q | 92.8 | Very high | 90.3 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -29.3 | -179.6 | -165.6 | -178.4 | 25.8 | 0 | 0 | 113.4 | H25 Y75 | H25-Q29 WeakPolarHBondContact O-CB 3.42Å; H25-Q29 PolarHBondContact O-N 3.02Å; Q29-Y75 HydrophobicContact CB-CE1 4.47Å |
| 30 | K | 92.7 | Very high | 90.2 | Very high | 144 Ų | 144 | 62 Ų | 62 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -80.8 | -29 | 174.4 | -70.7 | 164.1 | -165.2 | 139.4 | 0 | 113 | S26 V27 L28 | S26-K30 WeakPolarHBondContact O-CD 3.22Å; S26-K30 VanDerWaalsContact O-CE 3.29Å; S26-K30 WeakPolarHBondContact O-CE 3.1Å; S26-K30 WeakPolarHBondContact O-CG 3.39Å; S26-K30 PolarHBondContact O-N 3.07Å; S26-K30 PolarHBondContact O-NZ 2.84Å; S26-K30 PolarHBondContact OG-NZ 3Å; V27-K30 PolarHBondContact O-N 3.45Å; L28-K30 PolarHBondContact O-N 2.92Å |
| 31 | N | 90 | Very high | 90.1 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | trans | -114.1 | 66.9 | -174 | -66.3 | -80.5 | 0 | 0 | 0 | 109.9 | V27 L28 N38 L42 Y79 | V27-N31 PolarHBondContact O-N 2.87Å; V27-N31 VanDerWaalsContact O-N 3.14Å; V27-N31 PolarHBondContact O-ND2 3.31Å; L28-N31 CarbonylContact O-C 3.58Å; L28-N31 VanDerWaalsContact O-C 3.25Å; L28-N31 PolarHBondContact O-N 3.06Å; N31-N38 WeakPolarHBondContact OD1-CB 3.22Å; N31-N38 PolarHBondContact OD1-ND2 3.18Å; N31-L42 HydrophobicContact CB-CD1 4.46Å; N31-L42 HydrophobicContact CB-CD2 3.85Å; N31-L42 HydrophobicContact CB-CG 4.34Å; N31-Y79 WeakPolarHBondContact O-CE1 3.45Å; N31-Y79 PolarHBondContact O-OH 3.21Å | ||
| 32 | R | 87.4 | Confident | 90 | Very high | 128 Ų | 128 | 66.3 Ų | 66.3 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | trans | -76.7 | -33.7 | 179.3 | -76.2 | -172 | 169 | -150.6 | -10.5 | 113.9 | Y75 Q82 | R32-Y75 HydrophobicContact CG-CE1 4.49Å; R32-Y75 PolarHBondContact NH2-OH 3.12Å; R32-Q82 PolarHBondContact O-NE2 2.86Å | ||
| 33 | A | 86.8 | Confident | 89.9 | Confident | 61 Ų | 61 | 63 Ų | 63 | 50% | 0.504 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -96.4 | 132.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | N38 | A33-N38 PolarHBondContact O-ND2 2.87Š|
| 34 | V | 84.7 | Confident | 89.7 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | trans | -76 | 137.2 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | L42 Y79 I88 | V34-L42 HydrophobicContact CG2-CD1 4.1Å; V34-Y79 HydrophobicContact CG2-CD1 3.82Å; V34-Y79 HydrophobicContact CG2-CG 4.47Å; V34-I88 HydrophobicContact CB-CD1 4.32Å; V34-I88 HydrophobicContact CG1-CD1 3.3Å; V34-I88 HydrophobicContact CG2-CD1 4.02Å | ||
| 35 | N | 86.2 | Confident | 89.6 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | trans | -155 | 169.9 | 168.6 | 59.1 | 50.7 | 0 | 0 | 0 | 111.8 | Q37 N38 Y39 | N35-Q37 PolarHBondContact O-N 3.32Å; N35-Q37 VanDerWaalsContact O-N 3.07Å; N35-Q37 PolarHBondContact OD1-N 3.3Å; N35-Q37 VanDerWaalsContact OD1-N 3.15Å; N35-N38 PolarHBondContact N-OD1 3.36Å; N35-N38 PolarHBondContact O-N 3.09Å; N35-N38 VanDerWaalsContact O-N 3.13Å; N35-N38 PolarHBondContact O-OD1 2.86Å; N35-N38 VanDerWaalsContact O-OD1 3.08Å; N35-N38 PolarHBondContact OD1-N 2.82Å; N35-N38 PolarHBondContact OD1-OD1 3.41Å; N35-Y39 PolarHBondContact O-N 3Å | ||
| 36 | E | 81.3 | Confident | 89.5 | Confident | 180 Ų | 180 | 62.5 Ų | 62.5 | 84% | 0.841 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.2 | -177.6 | -60.5 | -171 | 144 | 0 | 0 | 114.3 | Y39 | E36-Y39 WeakPolarHBondContact O-CD1 3.45Š|
| 37 | Q | 84 | Confident | 89.4 | Confident | 180 Ų | 180 | 66 Ų | 66 | 84% | 0.841 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -25.1 | -180 | -62.2 | -177.4 | 0.9 | 0 | 0 | 112.9 | N35 | N35-Q37 PolarHBondContact O-N 3.32Å; N35-Q37 VanDerWaalsContact O-N 3.07Å; N35-Q37 PolarHBondContact OD1-N 3.3Å; N35-Q37 VanDerWaalsContact OD1-N 3.15Å |
| 38 | N | 88.8 | Confident | 89.4 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -12 | -178.3 | 74.3 | 11 | 0 | 0 | 0 | 115.2 | N31 A33 N35 G40 I41 L42 | N31-N38 WeakPolarHBondContact OD1-CB 3.22Å; N31-N38 PolarHBondContact OD1-ND2 3.18Å; A33-N38 PolarHBondContact O-ND2 2.87Å; N35-N38 PolarHBondContact N-OD1 3.36Å; N35-N38 PolarHBondContact O-N 3.09Å; N35-N38 VanDerWaalsContact O-N 3.13Å; N35-N38 PolarHBondContact O-OD1 2.86Å; N35-N38 VanDerWaalsContact O-OD1 3.08Å; N35-N38 PolarHBondContact OD1-N 2.82Å; N35-N38 PolarHBondContact OD1-OD1 3.41Å; N38-G40 VanDerWaalsContact C-N 3.33Å; N38-G40 PolarHBondContact O-N 3.16Å; N38-I41 WeakPolarHBondContact O-CB 3.39Å; N38-I41 PolarHBondContact O-N 3Å; N38-L42 PolarHBondContact O-N 3.45Å |
| 39 | Y | 87.2 | Confident | 89.4 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54.3 | -44.7 | -174 | 90.6 | -93 | 0 | 0 | 0 | 113.3 | N35 E36 I41 L42 V43 | N35-Y39 PolarHBondContact O-N 3Å; E36-Y39 WeakPolarHBondContact O-CD1 3.45Å; Y39-I41 VanDerWaalsContact C-N 3.31Å; Y39-I41 PolarHBondContact O-N 3.22Å; Y39-L42 PolarHBondContact O-N 3.32Å; Y39-V43 HydrophobicContact CD2-CG2 4.39Å; Y39-V43 WeakPolarHBondContact O-CB 3.29Å; Y39-V43 WeakPolarHBondContact O-CG2 3.39Å; Y39-V43 PolarHBondContact O-N 3.1Å |
| 40 | G | 88.3 | Confident | 89.3 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 38% | 0.381 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.1 | -31.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N38 E44 | N38-G40 VanDerWaalsContact C-N 3.33Å; N38-G40 PolarHBondContact O-N 3.16Å; G40-E44 PolarHBondContact O-N 2.99Å |
| 41 | I | 90.6 | Very high | 89.3 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.6 | -40.1 | 175.1 | -57.1 | 173.7 | 0 | 0 | 0 | 109.9 | V27 N38 Y39 A45 | V27-I41 HydrophobicContact CG1-CG2 3.82Å; N38-I41 WeakPolarHBondContact O-CB 3.39Å; N38-I41 PolarHBondContact O-N 3Å; Y39-I41 VanDerWaalsContact C-N 3.31Å; Y39-I41 PolarHBondContact O-N 3.22Å; I41-A45 WeakPolarHBondContact O-CB 3.49Å; I41-A45 PolarHBondContact O-N 3.46Å |
| 42 | L | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 175.8 | -71.7 | 174.3 | 0 | 0 | 0 | 111.9 | L28 N31 V34 N38 Y39 E44 A45 L46 Y79 | L28-L42 HydrophobicContact CD2-CD2 3.82Å; N31-L42 HydrophobicContact CB-CD1 4.46Å; N31-L42 HydrophobicContact CB-CD2 3.85Å; N31-L42 HydrophobicContact CB-CG 4.34Å; V34-L42 HydrophobicContact CG2-CD1 4.1Å; N38-L42 PolarHBondContact O-N 3.45Å; Y39-L42 PolarHBondContact O-N 3.32Å; L42-E44 PolarHBondContact O-N 3.47Å; L42-A45 PolarHBondContact O-N 2.82Å; L42-L46 WeakPolarHBondContact O-CB 3.17Å; L42-L46 WeakPolarHBondContact O-CG 3.39Å; L42-L46 PolarHBondContact O-N 3.25Å; L42-Y79 HydrophobicContact CD1-CE1 4.22Å; L42-Y79 HydrophobicContact CD2-CE1 4.35Å; L42-Y79 HydrophobicContact CD2-CE2 4.27Å; L42-Y79 WeakPolarHBondContact CD2-OH 3.36Å |
| 43 | V | 90.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.8 | -52.4 | 177.2 | 163.3 | 0 | 0 | 0 | 0 | 111.2 | Y39 A45 L46 R47 I88 Q91 | Y39-V43 HydrophobicContact CD2-CG2 4.39Å; Y39-V43 WeakPolarHBondContact O-CB 3.29Å; Y39-V43 WeakPolarHBondContact O-CG2 3.39Å; Y39-V43 PolarHBondContact O-N 3.1Å; V43-A45 PolarHBondContact O-N 3.37Å; V43-L46 PolarHBondContact O-N 2.99Å; V43-R47 WeakPolarHBondContact O-CB 3.35Å; V43-R47 PolarHBondContact O-N 3.46Å; V43-I88 HydrophobicContact CG2-CG1 3.89Å; V43-Q91 HydrophobicContact CB-CG 4.35Å; V43-Q91 HydrophobicContact CG1-CB 4.33Å; V43-Q91 HydrophobicContact CG1-CG 3.97Å; V43-Q91 HydrophobicContact CG2-CB 4.24Å; V43-Q91 HydrophobicContact CG2-CG 4.43Å |
| 44 | E | 90.3 | Very high | 89.8 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69 | -33.4 | 179.6 | 179.1 | 59.3 | -171 | 0 | 0 | 112.4 | G40 L42 R47 L48 | G40-E44 PolarHBondContact O-N 2.99Å; L42-E44 PolarHBondContact O-N 3.47Å; E44-R47 IonicContact OE1-CZ 2.73Å; E44-R47 IonicContact OE1-NE 3.66Å; E44-R47 IonicContact OE1-NH2 3.91Å; E44-R47 PolarHBondContact OE1-NH2 3.14Å; E44-R47 IonicContact OE2-CZ 3.7Å; E44-R47 IonicContact OE2-NE 2.69Å; E44-R47 PolarHBondContact OE2-NE 3.01Å; E44-R47 IonicContact OE2-NH2 3.46Å; E44-R47 PolarHBondContact OE2-NH2 3.32Å; E44-L48 HydrophobicContact CG-CD1 4.01Å; E44-L48 WeakPolarHBondContact O-CB 3.46Å; E44-L48 VanDerWaalsContact O-CG 3.28Å; E44-L48 WeakPolarHBondContact O-CG 3.43Å; E44-L48 PolarHBondContact O-N 2.96Å; E44-L48 WeakPolarHBondContact OE1-CD1 3.36Å |
| 45 | A | 92.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L24 V27 L28 I41 L42 V43 I49 | L24-A45 HydrophobicContact CD2-CB 4Å; V27-A45 HydrophobicContact CG1-CB 4.44Å; L28-A45 HydrophobicContact CD2-CB 4.24Å; I41-A45 WeakPolarHBondContact O-CB 3.49Å; I41-A45 PolarHBondContact O-N 3.46Å; L42-A45 PolarHBondContact O-N 2.82Å; V43-A45 PolarHBondContact O-N 3.37Å; A45-I49 WeakPolarHBondContact O-CD1 3.31Å; A45-I49 WeakPolarHBondContact O-CG1 3.13Å; A45-I49 PolarHBondContact O-N 2.89Å |
| 46 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 176.2 | -69.5 | 166 | 0 | 0 | 0 | 111.1 | L42 V43 L48 I49 A50 F76 I88 Q91 L92 T95 | L42-L46 WeakPolarHBondContact O-CB 3.17Å; L42-L46 WeakPolarHBondContact O-CG 3.39Å; L42-L46 PolarHBondContact O-N 3.25Å; V43-L46 PolarHBondContact O-N 2.99Å; L46-L48 PolarHBondContact O-N 3.32Å; L46-I49 PolarHBondContact O-N 3.19Å; L46-I49 VanDerWaalsContact O-N 3.14Å; L46-A50 PolarHBondContact O-N 3.47Å; L46-F76 HydrophobicContact CD2-CD1 3.53Å; L46-F76 HydrophobicContact CD2-CE1 3.34Å; L46-F76 HydrophobicContact CD2-CE2 4.43Å; L46-F76 HydrophobicContact CD2-CG 4.18Å; L46-F76 HydrophobicContact CD2-CZ 3.83Å; L46-I88 HydrophobicContact CD1-CG2 4.2Å; L46-Q91 HydrophobicContact CB-CG 4.24Å; L46-L92 HydrophobicContact CD1-CD2 3.57Å; L46-L92 HydrophobicContact CD1-CG 3.85Å; L46-L92 HydrophobicContact CD2-CD2 3.72Å; L46-L92 HydrophobicContact CG-CD2 4.26Å; L46-T95 WeakPolarHBondContact O-CG2 3.42Å |
| 47 | R | 91.7 | Very high | 90.8 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.1 | -49 | 176.5 | -165.1 | -165.1 | 67.9 | 66.6 | 5.7 | 111.7 | V43 E44 I49 A50 E51 | V43-R47 WeakPolarHBondContact O-CB 3.35Å; V43-R47 PolarHBondContact O-N 3.46Å; E44-R47 IonicContact OE1-CZ 2.73Å; E44-R47 IonicContact OE1-NE 3.66Å; E44-R47 IonicContact OE1-NH2 3.91Å; E44-R47 PolarHBondContact OE1-NH2 3.14Å; E44-R47 IonicContact OE2-CZ 3.7Å; E44-R47 IonicContact OE2-NE 2.69Å; E44-R47 PolarHBondContact OE2-NE 3.01Å; E44-R47 IonicContact OE2-NH2 3.46Å; E44-R47 PolarHBondContact OE2-NH2 3.32Å; R47-I49 VanDerWaalsContact C-N 3.33Å; R47-I49 PolarHBondContact O-N 3.48Å; R47-A50 PolarHBondContact O-N 3.31Å; R47-E51 IonicContact CZ-OE2 3.42Å; R47-E51 IonicContact NH1-OE2 2.97Å; R47-E51 PolarHBondContact NH1-OE2 3.01Å; R47-E51 IonicContact NH2-OE2 3.64Å; R47-E51 PolarHBondContact O-N 3.01Å |
| 48 | L | 93.5 | Very high | 91.1 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -31.1 | 177.7 | -73.8 | 170.1 | 0 | 0 | 0 | 113.1 | V15 L24 E44 L46 E51 I52 | V15-L48 HydrophobicContact CG1-CD2 4.01Å; L24-L48 HydrophobicContact CD1-CB 3.78Å; L24-L48 HydrophobicContact CD2-CD1 4.42Å; E44-L48 HydrophobicContact CG-CD1 4.01Å; E44-L48 WeakPolarHBondContact O-CB 3.46Å; E44-L48 VanDerWaalsContact O-CG 3.28Å; E44-L48 WeakPolarHBondContact O-CG 3.43Å; E44-L48 PolarHBondContact O-N 2.96Å; E44-L48 WeakPolarHBondContact OE1-CD1 3.36Å; L46-L48 PolarHBondContact O-N 3.32Å; L48-E51 PolarHBondContact O-N 2.93Å; L48-I52 WeakPolarHBondContact O-CB 3.18Å; L48-I52 VanDerWaalsContact O-CD1 3.31Å; L48-I52 WeakPolarHBondContact O-CD1 3.49Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 2.86Å |
| 49 | I | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 176 | -75 | 163.9 | 0 | 0 | 0 | 110.4 | L21 L24 L28 A45 L46 R47 E51 I52 L53 F67 I72 F76 | L21-I49 HydrophobicContact CD1-CG1 4.08Å; L21-I49 HydrophobicContact CD1-CG2 4.35Å; L24-I49 HydrophobicContact CB-CD1 4.23Å; L24-I49 HydrophobicContact CB-CG1 4.03Å; L24-I49 HydrophobicContact CD1-CG1 4.02Å; L28-I49 HydrophobicContact CD1-CD1 3.7Å; L28-I49 HydrophobicContact CG-CD1 4.22Å; A45-I49 WeakPolarHBondContact O-CD1 3.31Å; A45-I49 WeakPolarHBondContact O-CG1 3.13Å; A45-I49 PolarHBondContact O-N 2.89Å; L46-I49 PolarHBondContact O-N 3.19Å; L46-I49 VanDerWaalsContact O-N 3.14Å; R47-I49 VanDerWaalsContact C-N 3.33Å; R47-I49 PolarHBondContact O-N 3.48Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 3.23Å; I49-I52 PolarHBondContact O-N 3.21Å; I49-L53 HydrophobicContact CG2-CD1 3.56Å; I49-L53 HydrophobicContact CG2-CG 4.26Å; I49-L53 WeakPolarHBondContact O-CD1 3.03Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 3.39Å; I49-F67 HydrophobicContact CG2-CD2 4.32Å; I49-F67 HydrophobicContact CG2-CE2 4.12Å; I49-I72 HydrophobicContact CD1-CG2 4.44Å; I49-F76 HydrophobicContact CD1-CE1 4.42Å; I49-F76 HydrophobicContact CG2-CZ 3.92Å |
| 50 | A | 91.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L46 R47 I52 L53 I54 T95 I98 | L46-A50 PolarHBondContact O-N 3.47Å; R47-A50 PolarHBondContact O-N 3.31Å; A50-I52 VanDerWaalsContact C-N 3.29Å; A50-I52 PolarHBondContact O-N 2.94Å; A50-L53 PolarHBondContact O-N 2.67Å; A50-I54 WeakPolarHBondContact O-CG1 3.23Å; A50-I54 PolarHBondContact O-N 2.98Å; A50-T95 HydrophobicContact CB-CG2 3.66Å; A50-I98 HydrophobicContact CB-CG2 4.28Å |
| 51 | E | 91.8 | Very high | 91.4 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 31% | 0.308 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.9 | -37.7 | 176.8 | -163.2 | -170.8 | 129.4 | 0 | 0 | 112.5 | H16 R47 L48 I49 W55 | H16-E51 IonicContact CE1-OE1 2.68Å; H16-E51 PolarHBondContact CE1-OE1 3.49Å; H16-E51 VanDerWaalsContact CE1-OE1 3.29Å; R47-E51 IonicContact CZ-OE2 3.42Å; R47-E51 IonicContact NH1-OE2 2.97Å; R47-E51 PolarHBondContact NH1-OE2 3.01Å; R47-E51 IonicContact NH2-OE2 3.64Å; R47-E51 PolarHBondContact O-N 3.01Å; L48-E51 PolarHBondContact O-N 2.93Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 3.23Å; E51-W55 PolarHBondContact O-N 3.47Å |
| 52 | I | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.8 | -35.7 | 176.4 | -67.8 | 163.6 | 0 | 0 | 0 | 111.7 | V15 N20 L21 L24 L48 I49 A50 W55 G56 V63 | V15-I52 WeakPolarHBondContact O-CD1 3.27Å; V15-I52 WeakPolarHBondContact O-CG1 3.36Å; N20-I52 HydrophobicContact CB-CD1 4.18Å; N20-I52 WeakPolarHBondContact ND2-CD1 3.29Å; L21-I52 HydrophobicContact CB-CG2 4.23Å; L24-I52 HydrophobicContact CD1-CD1 3.53Å; L48-I52 WeakPolarHBondContact O-CB 3.18Å; L48-I52 VanDerWaalsContact O-CD1 3.31Å; L48-I52 WeakPolarHBondContact O-CD1 3.49Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 2.86Å; I49-I52 PolarHBondContact O-N 3.21Å; A50-I52 VanDerWaalsContact C-N 3.29Å; A50-I52 PolarHBondContact O-N 2.94Å; I52-W55 PolarHBondContact O-N 3.42Å; I52-G56 PolarHBondContact O-N 3.19Å; I52-V63 HydrophobicContact CG2-CG1 3.59Å |
| 53 | L | 91.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -41.6 | -179.6 | -69.3 | 165.8 | 0 | 0 | 0 | 112.6 | L21 I49 A50 W55 G56 D57 M64 F67 L99 | L21-L53 HydrophobicContact CD2-CD2 4.45Å; I49-L53 HydrophobicContact CG2-CD1 3.56Å; I49-L53 HydrophobicContact CG2-CG 4.26Å; I49-L53 WeakPolarHBondContact O-CD1 3.03Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 3.39Å; A50-L53 PolarHBondContact O-N 2.67Å; L53-W55 VanDerWaalsContact C-N 3.3Å; L53-W55 PolarHBondContact O-N 3.1Å; L53-G56 PolarHBondContact O-N 2.89Å; L53-D57 WeakPolarHBondContact O-CB 3.19Å; L53-D57 PolarHBondContact O-N 2.79Å; L53-M64 HydrophobicContact CD2-SD 3.89Å; L53-F67 HydrophobicContact CD1-CD2 3.48Å; L53-F67 VanDerWaalsContact CD1-CD2 3.48Å; L53-F67 HydrophobicContact CD1-CE2 3.46Å; L53-F67 VanDerWaalsContact CD1-CE2 3.46Å; L53-F67 HydrophobicContact CD1-CG 4.13Å; L53-F67 HydrophobicContact CD1-CZ 4.11Å; L53-F67 HydrophobicContact CD2-CB 3.55Å; L53-F67 HydrophobicContact CD2-CD1 4.35Å; L53-F67 HydrophobicContact CD2-CD2 3.61Å; L53-F67 HydrophobicContact CD2-CE2 4.42Å; L53-F67 HydrophobicContact CD2-CG 3.58Å; L53-F67 HydrophobicContact CG-CD2 4.12Å; L53-L99 HydrophobicContact CB-CD1 3.73Å; L53-L99 HydrophobicContact CD1-CD1 3.62Å; L53-L99 HydrophobicContact CD1-CD2 4.49Å; L53-L99 HydrophobicContact CG-CD1 4.32Å |
| 54 | I | 90.4 | Very high | 91.5 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 175.7 | -67.7 | 168 | 0 | 0 | 0 | 110.6 | A50 I98 N102 | A50-I54 WeakPolarHBondContact O-CG1 3.23Å; A50-I54 PolarHBondContact O-N 2.98Å; I54-I98 HydrophobicContact CD1-CG2 3.39Å; I54-N102 HydrophobicContact CD1-CB 3.61Å; I54-N102 HydrophobicContact CG1-CB 3.83Å; I54-N102 HydrophobicContact CG2-CB 4.16Å |
| 55 | W | 92.7 | Very high | 91.5 | Very high | 84 Ų | 84 | 38.7 Ų | 38.7 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 172.3 | -175.9 | 85.5 | 0 | 0 | 0 | 111.6 | H16 E51 I52 L53 Q58 N59 D60 V63 | H16-W55 HydrophobicContact CB-CB 4.19Å; H16-W55 HydrophobicContact CB-CD2 3.49Å; H16-W55 VanDerWaalsContact CB-CD2 3.49Å; H16-W55 HydrophobicContact CB-CE3 3.74Å; H16-W55 HydrophobicContact CB-CG 3.67Å; H16-W55 HydrophobicContact CB-CZ3 4.39Å; H16-W55 AromaticContact CG-CG 3.82Å; E51-W55 PolarHBondContact O-N 3.47Å; I52-W55 PolarHBondContact O-N 3.42Å; L53-W55 VanDerWaalsContact C-N 3.3Å; L53-W55 PolarHBondContact O-N 3.1Å; W55-Q58 PolarHBondContact O-N 3.13Å; W55-N59 HydrophobicContact CD2-CB 3.97Å; W55-N59 HydrophobicContact CE3-CB 4.24Å; W55-N59 HydrophobicContact CH2-CB 3.87Å; W55-N59 HydrophobicContact CZ2-CB 3.56Å; W55-N59 HydrophobicContact CZ3-CB 4.2Å; W55-N59 VanDerWaalsContact O-CB 3.3Å; W55-N59 WeakPolarHBondContact O-CB 3.29Å; W55-N59 PolarHBondContact O-N 3.3Å; W55-N59 PolarHBondContact O-ND2 3.43Å; W55-D60 HydrophobicContact CH2-CB 4.14Å; W55-D60 HydrophobicContact CZ3-CB 3.75Å; W55-V63 HydrophobicContact CZ3-CG2 4.45Å |
| 56 | G | 90.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I52 L53 Q58 N59 D60 | I52-G56 PolarHBondContact O-N 3.19Å; L53-G56 PolarHBondContact O-N 2.89Å; G56-Q58 PolarHBondContact O-N 3.42Å; G56-Q58 VanDerWaalsContact O-N 3.09Å; G56-N59 PolarHBondContact O-N 3.01Å; G56-D60 CarbonylContact C-O 3.59Å; G56-D60 CarbonylContact O-C 3.54Å; G56-D60 PolarHBondContact O-N 3.41Å; G56-D60 VanDerWaalsContact O-O 3.08Å |
| 57 | D | 90.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 10% | 0.102 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -49.9 | -36 | 177 | -177.2 | 72.9 | 0 | 0 | 0 | 112.9 | L53 I103 T104 N105 | L53-D57 WeakPolarHBondContact O-CB 3.19Å; L53-D57 PolarHBondContact O-N 2.79Å; D57-I103 HydrophobicContact CB-CG1 4.49Å; D57-T104 PolarHBondContact OD1-N 3.19Å; D57-T104 WeakPolarHBondContact OD2-CB 3.46Å; D57-T104 PolarHBondContact OD2-N 3.2Å; D57-T104 PolarHBondContact OD2-OG1 3.1Å; D57-N105 WeakPolarHBondContact OD1-CB 3.37Å; D57-N105 PolarHBondContact OD1-N 3.04Å |
| 58 | Q | 88.7 | Confident | 91.3 | Very high | 129 Ų | 129 | 37.2 Ų | 37.2 | 60% | 0.603 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -100.6 | -20.3 | -176.1 | -60.9 | 178.6 | 9.7 | 0 | 0 | 114.4 | W55 G56 | W55-Q58 PolarHBondContact O-N 3.13Å; G56-Q58 PolarHBondContact O-N 3.42Å; G56-Q58 VanDerWaalsContact O-N 3.09Å |
| 59 | N | 91 | Very high | 91.2 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 53% | 0.529 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -127 | -29.8 | -167.7 | -62.9 | -99.1 | 0 | 0 | 0 | 115.2 | W55 G56 | W55-N59 HydrophobicContact CD2-CB 3.97Å; W55-N59 HydrophobicContact CE3-CB 4.24Å; W55-N59 HydrophobicContact CH2-CB 3.87Å; W55-N59 HydrophobicContact CZ2-CB 3.56Å; W55-N59 HydrophobicContact CZ3-CB 4.2Å; W55-N59 VanDerWaalsContact O-CB 3.3Å; W55-N59 WeakPolarHBondContact O-CB 3.29Å; W55-N59 PolarHBondContact O-N 3.3Å; W55-N59 PolarHBondContact O-ND2 3.43Å; G56-N59 PolarHBondContact O-N 3.01Å |
| 60 | D | 91 | Very high | 91.1 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | trans | -157.2 | 97.1 | -171.8 | -179.1 | -0.4 | 0 | 0 | 0 | 110.4 | W55 G56 S62 V63 | W55-D60 HydrophobicContact CH2-CB 4.14Å; W55-D60 HydrophobicContact CZ3-CB 3.75Å; G56-D60 CarbonylContact C-O 3.59Å; G56-D60 CarbonylContact O-C 3.54Å; G56-D60 PolarHBondContact O-N 3.41Å; G56-D60 VanDerWaalsContact O-O 3.08Å; D60-S62 PolarHBondContact O-N 3.41Å; D60-S62 VanDerWaalsContact O-N 3.12Å; D60-S62 VanDerWaalsContact OD1-CB 3.31Å; D60-S62 WeakPolarHBondContact OD1-CB 3.48Å; D60-S62 PolarHBondContact OD1-N 2.91Å; D60-S62 VanDerWaalsContact OD1-N 3.08Å; D60-S62 PolarHBondContact OD1-OG 3.03Å; D60-S62 PolarHBondContact OD2-OG 3.17Å; D60-V63 HydrophobicContact CB-CG2 4.05Å; D60-V63 WeakPolarHBondContact O-CB 3.24Å; D60-V63 PolarHBondContact O-N 3.32Å | ||
| 61 | S | 89.5 | Confident | 90.9 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.1 | -29.4 | -178.2 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | V63 M64 D65 | S61-V63 PolarHBondContact O-N 3.44Å; S61-V63 VanDerWaalsContact O-N 3.07Å; S61-M64 CarbonylContact O-C 3.56Å; S61-M64 WeakPolarHBondContact O-CA 3.03Å; S61-M64 PolarHBondContact O-N 2.92Å; S61-D65 PolarHBondContact O-N 2.77Å; S61-D65 VanDerWaalsContact O-OD2 3.05Å; S61-D65 PolarHBondContact OG-OD2 2.69Å |
| 62 | S | 92.2 | Very high | 90.9 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.2 | -21.3 | -175.7 | 77.3 | 0 | 0 | 0 | 0 | 113 | D60 D65 F66 | D60-S62 PolarHBondContact O-N 3.41Å; D60-S62 VanDerWaalsContact O-N 3.12Å; D60-S62 VanDerWaalsContact OD1-CB 3.31Å; D60-S62 WeakPolarHBondContact OD1-CB 3.48Å; D60-S62 PolarHBondContact OD1-N 2.91Å; D60-S62 VanDerWaalsContact OD1-N 3.08Å; D60-S62 PolarHBondContact OD1-OG 3.03Å; D60-S62 PolarHBondContact OD2-OG 3.17Å; S62-D65 WeakPolarHBondContact CA-OD2 3.37Å; S62-D65 PolarHBondContact N-OD2 3.29Å; S62-F66 VanDerWaalsContact O-CB 3.29Å; S62-F66 WeakPolarHBondContact O-CB 3.36Å; S62-F66 PolarHBondContact O-N 2.83Å; S62-F66 VanDerWaalsContact O-N 3.09Å |
| 63 | V | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.4 | -47.2 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 111 | L18 L21 I52 W55 D60 S61 F67 | L18-V63 HydrophobicContact CB-CG2 4.19Å; L21-V63 HydrophobicContact CD2-CG1 3.75Å; L21-V63 WeakPolarHBondContact CD2-O 3.32Å; I52-V63 HydrophobicContact CG2-CG1 3.59Å; W55-V63 HydrophobicContact CZ3-CG2 4.45Å; D60-V63 HydrophobicContact CB-CG2 4.05Å; D60-V63 WeakPolarHBondContact O-CB 3.24Å; D60-V63 PolarHBondContact O-N 3.32Å; S61-V63 PolarHBondContact O-N 3.44Å; S61-V63 VanDerWaalsContact O-N 3.07Å; V63-F67 PolarHBondContact O-N 3.36Å; V63-F67 VanDerWaalsContact O-N 3.16Å |
| 64 | M | 89.4 | Confident | 90.6 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72 | -42 | 177.7 | -167 | 67.8 | -156.7 | 0 | 0 | 111.3 | L53 S61 F66 F67 L68 I103 A108 L112 | L53-M64 HydrophobicContact CD2-SD 3.89Å; S61-M64 CarbonylContact O-C 3.56Å; S61-M64 WeakPolarHBondContact O-CA 3.03Å; S61-M64 PolarHBondContact O-N 2.92Å; M64-F66 VanDerWaalsContact C-N 3.3Å; M64-F66 PolarHBondContact O-N 2.78Å; M64-F67 HydrophobicContact CE-CD1 3.77Å; M64-F67 HydrophobicContact CE-CE1 4.2Å; M64-F67 WeakPolarHBondContact O-CB 3.41Å; M64-F67 PolarHBondContact O-N 2.87Å; M64-F67 VanDerWaalsContact O-N 3.1Å; M64-F67 HydrophobicContact SD-CD1 4.45Å; M64-L68 HydrophobicContact CE-CD1 4.23Å; M64-L68 HydrophobicContact CE-CD2 3.85Å; M64-L68 HydrophobicContact CE-CG 3.95Å; M64-L68 HydrophobicContact CG-CD1 4.29Å; M64-L68 WeakPolarHBondContact O-CG 3.48Å; M64-L68 PolarHBondContact O-N 3.44Å; M64-I103 HydrophobicContact CE-CD1 4.24Å; M64-I103 HydrophobicContact SD-CD1 4.23Å; M64-A108 HydrophobicContact CE-CB 4.03Å; M64-A108 HydrophobicContact CG-CB 3.86Å; M64-A108 HydrophobicContact SD-CB 4.3Å; M64-L112 HydrophobicContact CE-CD1 4.02Å; M64-L112 HydrophobicContact CE-CD2 4.25Å; M64-L112 HydrophobicContact CE-CG 4.07Å |
| 65 | D | 90.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.5 | -46.3 | 176.3 | -60.9 | -40.3 | 0 | 0 | 0 | 110.3 | S61 S62 L68 E69 | S61-D65 PolarHBondContact O-N 2.77Å; S61-D65 VanDerWaalsContact O-OD2 3.05Å; S61-D65 PolarHBondContact OG-OD2 2.69Å; S62-D65 WeakPolarHBondContact CA-OD2 3.37Å; S62-D65 PolarHBondContact N-OD2 3.29Å; D65-L68 PolarHBondContact O-N 3.03Å; D65-E69 WeakPolarHBondContact O-CB 3.28Å; D65-E69 PolarHBondContact O-N 3.46Å |
| 66 | F | 93.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 175.6 | 179.4 | -93.1 | 0 | 0 | 0 | 113.5 | L18 L21 R22 H25 S62 M64 L68 E69 K70 I72 | L18-F66 HydrophobicContact CD1-CB 3.45Å; L18-F66 VanDerWaalsContact CD1-CB 3.45Å; L18-F66 HydrophobicContact CD1-CD1 3.94Å; L18-F66 HydrophobicContact CD1-CD2 4.15Å; L18-F66 HydrophobicContact CD1-CG 3.58Å; L21-F66 HydrophobicContact CD2-CD1 3.82Å; L21-F66 HydrophobicContact CG-CD1 3.9Å; L21-F66 HydrophobicContact CG-CE1 4.17Å; R22-F66 HydrophobicContact CB-CZ 4.27Å; R22-F66 HydrophobicContact CG-CD2 4.47Å; R22-F66 HydrophobicContact CG-CE1 3.96Å; R22-F66 HydrophobicContact CG-CE2 3.77Å; R22-F66 HydrophobicContact CG-CZ 3.48Å; R22-F66 VanDerWaalsContact CG-CZ 3.48Å; H25-F66 HydrophobicContact CB-CE1 4.29Å; S62-F66 VanDerWaalsContact O-CB 3.29Å; S62-F66 WeakPolarHBondContact O-CB 3.36Å; S62-F66 PolarHBondContact O-N 2.83Å; S62-F66 VanDerWaalsContact O-N 3.09Å; M64-F66 VanDerWaalsContact C-N 3.3Å; M64-F66 PolarHBondContact O-N 2.78Å; F66-L68 VanDerWaalsContact C-N 3.31Å; F66-L68 PolarHBondContact O-N 3.01Å; F66-E69 PolarHBondContact O-N 3.43Å; F66-K70 HydrophobicContact CD1-CG 4.32Å; F66-K70 HydrophobicContact CD2-CG 3.99Å; F66-K70 HydrophobicContact CE1-CG 3.98Å; F66-K70 HydrophobicContact CE2-CD 4.18Å; F66-K70 VanDerWaalsContact CE2-CE 3.43Å; F66-K70 HydrophobicContact CE2-CG 3.63Å; F66-K70 HydrophobicContact CG-CG 4.33Å; F66-K70 HydrophobicContact CZ-CG 3.61Å; F66-K70 WeakPolarHBondContact O-CB 3.21Å; F66-K70 WeakPolarHBondContact O-CG 3.47Å; F66-K70 PolarHBondContact O-N 3.02Å; F66-I72 HydrophobicContact CD1-CD1 4.48Å; F66-I72 HydrophobicContact CE1-CD1 4.3Å |
| 67 | F | 91.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 176.4 | 173 | -85.3 | 0 | 0 | 0 | 112 | L21 I49 L53 V63 M64 N71 I72 L73 L112 | L21-F67 HydrophobicContact CD2-CB 4.27Å; I49-F67 HydrophobicContact CG2-CD2 4.32Å; I49-F67 HydrophobicContact CG2-CE2 4.12Å; L53-F67 HydrophobicContact CD1-CD2 3.48Å; L53-F67 VanDerWaalsContact CD1-CD2 3.48Å; L53-F67 HydrophobicContact CD1-CE2 3.46Å; L53-F67 VanDerWaalsContact CD1-CE2 3.46Å; L53-F67 HydrophobicContact CD1-CG 4.13Å; L53-F67 HydrophobicContact CD1-CZ 4.11Å; L53-F67 HydrophobicContact CD2-CB 3.55Å; L53-F67 HydrophobicContact CD2-CD1 4.35Å; L53-F67 HydrophobicContact CD2-CD2 3.61Å; L53-F67 HydrophobicContact CD2-CE2 4.42Å; L53-F67 HydrophobicContact CD2-CG 3.58Å; L53-F67 HydrophobicContact CG-CD2 4.12Å; V63-F67 PolarHBondContact O-N 3.36Å; V63-F67 VanDerWaalsContact O-N 3.16Å; M64-F67 HydrophobicContact CE-CD1 3.77Å; M64-F67 HydrophobicContact CE-CE1 4.2Å; M64-F67 WeakPolarHBondContact O-CB 3.41Å; M64-F67 PolarHBondContact O-N 2.87Å; M64-F67 VanDerWaalsContact O-N 3.1Å; M64-F67 HydrophobicContact SD-CD1 4.45Å; F67-N71 PolarHBondContact O-N 2.91Å; F67-I72 HydrophobicContact CB-CD1 4.42Å; F67-I72 HydrophobicContact CD2-CB 3.53Å; F67-I72 HydrophobicContact CD2-CD1 3.97Å; F67-I72 HydrophobicContact CD2-CG1 4.13Å; F67-I72 HydrophobicContact CD2-CG2 3.84Å; F67-I72 HydrophobicContact CE2-CB 3.55Å; F67-I72 HydrophobicContact CE2-CG2 3.61Å; F67-I72 HydrophobicContact CG-CB 4.2Å; F67-I72 HydrophobicContact CG-CD1 4.5Å; F67-I72 HydrophobicContact CZ-CB 4.22Å; F67-I72 PolarHBondContact O-N 2.99Å; F67-I72 VanDerWaalsContact O-N 3.13Å; F67-L73 HydrophobicContact CE1-CB 4.37Å; F67-L73 HydrophobicContact CZ-CB 4.06Å; F67-L112 HydrophobicContact CE1-CD2 3.83Å |
| 68 | L | 88.1 | Confident | 90.4 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.1 | -48 | 176.7 | -64.3 | 175.1 | 0 | 0 | 0 | 111.1 | M64 D65 F66 K70 N71 Y111 | M64-L68 HydrophobicContact CE-CD1 4.23Å; M64-L68 HydrophobicContact CE-CD2 3.85Å; M64-L68 HydrophobicContact CE-CG 3.95Å; M64-L68 HydrophobicContact CG-CD1 4.29Å; M64-L68 WeakPolarHBondContact O-CG 3.48Å; M64-L68 PolarHBondContact O-N 3.44Å; D65-L68 PolarHBondContact O-N 3.03Å; F66-L68 VanDerWaalsContact C-N 3.31Å; F66-L68 PolarHBondContact O-N 3.01Å; L68-K70 PolarHBondContact O-N 3.29Å; L68-N71 PolarHBondContact O-N 3.43Å; L68-Y111 HydrophobicContact CD1-CD2 3.78Å; L68-Y111 HydrophobicContact CD1-CG 3.86Å |
| 69 | E | 90.6 | Very high | 90.5 | Very high | 132 Ų | 132 | 39.5 Ų | 39.5 | 62% | 0.617 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -61.5 | -28.2 | -179.4 | -161.2 | -122.4 | 142.2 | 0 | 0 | 113 | D65 F66 | D65-E69 WeakPolarHBondContact O-CB 3.28Å; D65-E69 PolarHBondContact O-N 3.46Å; F66-E69 PolarHBondContact O-N 3.43Å |
| 70 | K | 92 | Very high | 90.3 | Very high | 63 Ų | 63 | 35 Ų | 35 | 27% | 0.274 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 9.2 | 175.2 | -53.2 | -47.6 | 172.4 | -164.9 | 0 | 114.5 | H25 F66 L68 I72 | H25-K70 PolarHBondContact NE2-O 3.2Å; F66-K70 HydrophobicContact CD1-CG 4.32Å; F66-K70 HydrophobicContact CD2-CG 3.99Å; F66-K70 HydrophobicContact CE1-CG 3.98Å; F66-K70 HydrophobicContact CE2-CD 4.18Å; F66-K70 VanDerWaalsContact CE2-CE 3.43Å; F66-K70 HydrophobicContact CE2-CG 3.63Å; F66-K70 HydrophobicContact CG-CG 4.33Å; F66-K70 HydrophobicContact CZ-CG 3.61Å; F66-K70 WeakPolarHBondContact O-CB 3.21Å; F66-K70 WeakPolarHBondContact O-CG 3.47Å; F66-K70 PolarHBondContact O-N 3.02Å; L68-K70 PolarHBondContact O-N 3.29Å; K70-I72 HydrophobicContact CB-CD1 4.48Å; K70-I72 HydrophobicContact CB-CG1 3.98Å; K70-I72 PolarHBondContact O-N 3.44Å |
| 71 | N | 88.4 | Confident | 90 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 24% | 0.235 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 41.9 | 178 | -156.9 | 27 | 0 | 0 | 0 | 112.9 | F67 L68 L73 E74 N115 H117 | F67-N71 PolarHBondContact O-N 2.91Å; L68-N71 PolarHBondContact O-N 3.43Å; N71-L73 PolarHBondContact O-N 3.44Å; N71-L73 VanDerWaalsContact O-N 3.1Å; N71-E74 PolarHBondContact ND2-OE2 3.45Å; N71-E74 VanDerWaalsContact O-CB 3.23Å; N71-E74 WeakPolarHBondContact O-CB 3.47Å; N71-E74 PolarHBondContact O-N 3.22Å; N71-N115 PolarHBondContact OD1-ND2 2.95Å; N71-H117 PolarHBondContact OD1-NE2 3.14Å |
| 72 | I | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -30 | -166.3 | -62.8 | -172.9 | 0 | 0 | 0 | 112.2 | L21 H25 L28 I49 F66 F67 K70 E74 Y75 F76 | L21-I72 HydrophobicContact CD1-CD1 4.12Å; L21-I72 HydrophobicContact CG-CD1 4.39Å; H25-I72 HydrophobicContact CB-CD1 4.13Å; L28-I72 HydrophobicContact CD1-CG2 4.15Å; I49-I72 HydrophobicContact CD1-CG2 4.44Å; F66-I72 HydrophobicContact CD1-CD1 4.48Å; F66-I72 HydrophobicContact CE1-CD1 4.3Å; F67-I72 HydrophobicContact CB-CD1 4.42Å; F67-I72 HydrophobicContact CD2-CB 3.53Å; F67-I72 HydrophobicContact CD2-CD1 3.97Å; F67-I72 HydrophobicContact CD2-CG1 4.13Å; F67-I72 HydrophobicContact CD2-CG2 3.84Å; F67-I72 HydrophobicContact CE2-CB 3.55Å; F67-I72 HydrophobicContact CE2-CG2 3.61Å; F67-I72 HydrophobicContact CG-CB 4.2Å; F67-I72 HydrophobicContact CG-CD1 4.5Å; F67-I72 HydrophobicContact CZ-CB 4.22Å; F67-I72 PolarHBondContact O-N 2.99Å; F67-I72 VanDerWaalsContact O-N 3.13Å; K70-I72 HydrophobicContact CB-CD1 4.48Å; K70-I72 HydrophobicContact CB-CG1 3.98Å; K70-I72 PolarHBondContact O-N 3.44Å; I72-E74 PolarHBondContact O-N 3.27Å; I72-Y75 WeakPolarHBondContact O-CB 3.46Å; I72-Y75 PolarHBondContact O-N 3.48Å; I72-F76 HydrophobicContact CG2-CE1 4.03Å |
| 73 | L | 89 | Confident | 88.8 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.8 | -26.3 | 173.7 | -167.9 | 62.2 | 0 | 0 | 0 | 113.7 | F67 N71 Y75 F76 L77 L96 L112 H117 | F67-L73 HydrophobicContact CE1-CB 4.37Å; F67-L73 HydrophobicContact CZ-CB 4.06Å; N71-L73 PolarHBondContact O-N 3.44Å; N71-L73 VanDerWaalsContact O-N 3.1Å; L73-Y75 VanDerWaalsContact C-N 3.31Å; L73-Y75 PolarHBondContact O-N 3.22Å; L73-F76 HydrophobicContact CD1-CB 4.4Å; L73-F76 HydrophobicContact CD1-CD2 3.86Å; L73-F76 HydrophobicContact CD1-CE2 4.48Å; L73-F76 HydrophobicContact CD1-CG 4.36Å; L73-F76 WeakPolarHBondContact O-CB 3.36Å; L73-F76 PolarHBondContact O-N 3.49Å; L73-F76 VanDerWaalsContact O-N 3.17Å; L73-L77 PolarHBondContact O-N 3.04Å; L73-L77 VanDerWaalsContact O-N 3.15Å; L73-L96 HydrophobicContact CD1-CD2 3.77Å; L73-L112 HydrophobicContact CD2-CD2 4.04Å; L73-H117 HydrophobicContact CD2-CB 3.87Å; L73-H117 HydrophobicContact CG-CB 4.04Å |
| 74 | E | 89.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 46.4 Ų | 46.4 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.8 | -34.9 | 174.6 | -166.3 | -165.1 | 145 | 0 | 0 | 111.8 | N71 I72 F76 L77 Q78 | N71-E74 PolarHBondContact ND2-OE2 3.45Å; N71-E74 VanDerWaalsContact O-CB 3.23Å; N71-E74 WeakPolarHBondContact O-CB 3.47Å; N71-E74 PolarHBondContact O-N 3.22Å; I72-E74 PolarHBondContact O-N 3.27Å; E74-F76 VanDerWaalsContact C-N 3.28Å; E74-F76 PolarHBondContact O-N 3.16Å; E74-L77 PolarHBondContact O-N 3.37Å; E74-Q78 WeakPolarHBondContact O-CB 3.45Å; E74-Q78 WeakPolarHBondContact O-CG 3.21Å; E74-Q78 PolarHBondContact O-N 2.87Å; E74-Q78 PolarHBondContact OE1-NE2 3.27Å |
| 75 | Y | 91.2 | Very high | 87 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 174.7 | -69.5 | -94.1 | 0 | 0 | 0 | 110.8 | H25 L28 Q29 R32 I72 L73 Q78 Y79 | H25-Y75 AromaticContact NE2-CE2 3.1Å; H25-Y75 WeakPolarHBondContact NE2-CE2 3.42Å; H25-Y75 AromaticContact NE2-CZ 3.51Å; H25-Y75 PolarHBondContact NE2-OH 3.08Å; L28-Y75 HydrophobicContact CB-CD1 4.06Å; L28-Y75 HydrophobicContact CB-CG 4.31Å; L28-Y75 HydrophobicContact CD1-CG 4.42Å; Q29-Y75 HydrophobicContact CB-CE1 4.47Å; R32-Y75 HydrophobicContact CG-CE1 4.49Å; R32-Y75 PolarHBondContact NH2-OH 3.12Å; I72-Y75 WeakPolarHBondContact O-CB 3.46Å; I72-Y75 PolarHBondContact O-N 3.48Å; L73-Y75 VanDerWaalsContact C-N 3.31Å; L73-Y75 PolarHBondContact O-N 3.22Å; Y75-Q78 PolarHBondContact O-N 2.73Å; Y75-Y79 WeakPolarHBondContact O-CD2 3.49Å; Y75-Y79 WeakPolarHBondContact O-CE2 3.43Å; Y75-Y79 VanDerWaalsContact O-CG 3.28Å; Y75-Y79 PolarHBondContact O-N 2.91Å |
| 76 | F | 90.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 177.2 | -64 | 16.3 | 0 | 0 | 0 | 109.1 | L28 L46 I49 I72 L73 E74 Q78 Y79 M80 L92 T95 L96 | L28-F76 HydrophobicContact CD1-CE1 4.25Å; L46-F76 HydrophobicContact CD2-CD1 3.53Å; L46-F76 HydrophobicContact CD2-CE1 3.34Å; L46-F76 HydrophobicContact CD2-CE2 4.43Å; L46-F76 HydrophobicContact CD2-CG 4.18Å; L46-F76 HydrophobicContact CD2-CZ 3.83Å; I49-F76 HydrophobicContact CD1-CE1 4.42Å; I49-F76 HydrophobicContact CG2-CZ 3.92Å; I72-F76 HydrophobicContact CG2-CE1 4.03Å; L73-F76 HydrophobicContact CD1-CB 4.4Å; L73-F76 HydrophobicContact CD1-CD2 3.86Å; L73-F76 HydrophobicContact CD1-CE2 4.48Å; L73-F76 HydrophobicContact CD1-CG 4.36Å; L73-F76 WeakPolarHBondContact O-CB 3.36Å; L73-F76 PolarHBondContact O-N 3.49Å; L73-F76 VanDerWaalsContact O-N 3.17Å; E74-F76 VanDerWaalsContact C-N 3.28Å; E74-F76 PolarHBondContact O-N 3.16Å; F76-Q78 PolarHBondContact O-N 3.17Å; F76-Y79 PolarHBondContact O-N 3.48Å; F76-M80 VanDerWaalsContact O-CG 3.31Å; F76-M80 WeakPolarHBondContact O-CG 3.15Å; F76-M80 PolarHBondContact O-N 3.06Å; F76-L92 HydrophobicContact CB-CD2 3.87Å; F76-L92 HydrophobicContact CD1-CD2 4.5Å; F76-L92 HydrophobicContact CD2-CD2 4.28Å; F76-L92 HydrophobicContact CG-CD2 3.97Å; F76-T95 HydrophobicContact CE2-CG2 3.95Å; F76-T95 HydrophobicContact CZ-CG2 4.31Å; F76-L96 HydrophobicContact CD2-CD2 4.21Å |
| 77 | L | 87.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 175 | -167.3 | 79.9 | 0 | 0 | 0 | 112.9 | L73 E74 Y79 M80 K81 A120 I121 | L73-L77 PolarHBondContact O-N 3.04Å; L73-L77 VanDerWaalsContact O-N 3.15Å; E74-L77 PolarHBondContact O-N 3.37Å; L77-Y79 VanDerWaalsContact C-N 3.3Å; L77-Y79 PolarHBondContact O-N 3.47Å; L77-M80 PolarHBondContact O-N 2.82Å; L77-K81 HydrophobicContact CG-CD 4.37Å; L77-K81 WeakPolarHBondContact O-CG 3.45Å; L77-K81 PolarHBondContact O-N 3.43Å; L77-A120 HydrophobicContact CD1-CB 3.77Å; L77-A120 HydrophobicContact CD2-CB 4.12Å; L77-I121 HydrophobicContact CD1-CG1 3.79Å |
| 78 | Q | 89.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -32.5 | 175.9 | -75.8 | -179.1 | 22.8 | 0 | 0 | 112.2 | E74 Y75 F76 Q82 | E74-Q78 WeakPolarHBondContact O-CB 3.45Å; E74-Q78 WeakPolarHBondContact O-CG 3.21Å; E74-Q78 PolarHBondContact O-N 2.87Å; E74-Q78 PolarHBondContact OE1-NE2 3.27Å; Y75-Q78 PolarHBondContact O-N 2.73Å; F76-Q78 PolarHBondContact O-N 3.17Å; Q78-Q82 PolarHBondContact O-NE2 3.22Å |
| 79 | Y | 90.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.6 | -46.6 | 171 | -61.6 | -45.4 | 0 | 0 | 0 | 111.5 | L28 N31 V34 L42 Y75 F76 L77 K81 Q82 L84 | L28-Y79 WeakPolarHBondContact CA-OH 3.3Å; L28-Y79 HydrophobicContact CD2-CE2 4.07Å; L28-Y79 PolarHBondContact O-OH 3.33Å; N31-Y79 WeakPolarHBondContact O-CE1 3.45Å; N31-Y79 PolarHBondContact O-OH 3.21Å; V34-Y79 HydrophobicContact CG2-CD1 3.82Å; V34-Y79 HydrophobicContact CG2-CG 4.47Å; L42-Y79 HydrophobicContact CD1-CE1 4.22Å; L42-Y79 HydrophobicContact CD2-CE1 4.35Å; L42-Y79 HydrophobicContact CD2-CE2 4.27Å; L42-Y79 WeakPolarHBondContact CD2-OH 3.36Å; Y75-Y79 WeakPolarHBondContact O-CD2 3.49Å; Y75-Y79 WeakPolarHBondContact O-CE2 3.43Å; Y75-Y79 VanDerWaalsContact O-CG 3.28Å; Y75-Y79 PolarHBondContact O-N 2.91Å; F76-Y79 PolarHBondContact O-N 3.48Å; L77-Y79 VanDerWaalsContact C-N 3.3Å; L77-Y79 PolarHBondContact O-N 3.47Å; Y79-K81 PolarHBondContact O-N 2.94Å; Y79-K81 VanDerWaalsContact O-N 3.15Å; Y79-Q82 WeakPolarHBondContact O-CB 3.36Å; Y79-Q82 PolarHBondContact O-N 3.44Å; Y79-L84 WeakPolarHBondContact O-CD1 3.34Å; Y79-L84 WeakPolarHBondContact O-CD2 3.35Å; Y79-L84 WeakPolarHBondContact O-CG 3.42Å |
| 80 | M | 87.2 | Confident | 86.2 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57 | -31.6 | -178.7 | -67.9 | -179.7 | 70.3 | 0 | 0 | 113.4 | F76 L77 Q82 L84 L92 L96 I121 H124 F126 | F76-M80 VanDerWaalsContact O-CG 3.31Å; F76-M80 WeakPolarHBondContact O-CG 3.15Å; F76-M80 PolarHBondContact O-N 3.06Å; L77-M80 PolarHBondContact O-N 2.82Å; M80-Q82 VanDerWaalsContact C-N 3.28Å; M80-Q82 PolarHBondContact O-N 3.31Å; M80-L84 WeakPolarHBondContact O-CD1 3.46Å; M80-L92 HydrophobicContact CG-CD1 3.72Å; M80-L96 HydrophobicContact SD-CD1 4.25Å; M80-I121 HydrophobicContact CE-CG1 4.46Å; M80-I121 HydrophobicContact CE-CG2 3.88Å; M80-I121 HydrophobicContact SD-CG1 3.97Å; M80-I121 HydrophobicContact SD-CG2 4.27Å; M80-H124 PolarHBondContact O-CE1 3.39Å; M80-H124 PolarHBondContact O-NE2 3.28Å; M80-F126 HydrophobicContact CE-CE1 3.55Å; M80-F126 HydrophobicContact CE-CZ 3.36Å |
| 81 | K | 84.6 | Confident | 86.2 | Confident | 134 Ų | 134 | 48.3 Ų | 48.3 | 58% | 0.583 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 6.6 | 179.1 | -69 | 176.1 | 176.7 | 179.6 | 0 | 115.1 | L77 Y79 | L77-K81 HydrophobicContact CG-CD 4.37Å; L77-K81 WeakPolarHBondContact O-CG 3.45Å; L77-K81 PolarHBondContact O-N 3.43Å; Y79-K81 PolarHBondContact O-N 2.94Å; Y79-K81 VanDerWaalsContact O-N 3.15Å |
| 82 | Q | 86.5 | Confident | 86.4 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -103.6 | 159.2 | 173.1 | -64.4 | 169.6 | 51.8 | 0 | 0 | 109.4 | R32 Q78 Y79 M80 L84 | R32-Q82 PolarHBondContact O-NE2 2.86Å; Q78-Q82 PolarHBondContact O-NE2 3.22Å; Y79-Q82 WeakPolarHBondContact O-CB 3.36Å; Y79-Q82 PolarHBondContact O-N 3.44Å; M80-Q82 VanDerWaalsContact C-N 3.28Å; M80-Q82 PolarHBondContact O-N 3.31Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 WeakPolarHBondContact O-CD1 3.38Å; Q82-L84 WeakPolarHBondContact O-CG 3.49Å; Q82-L84 PolarHBondContact O-N 3.15Å |
| 83 | D | 70.7 | Confident | 86.5 | Confident | 175 Ų | 175 | 46.2 Ų | 46.2 | 94% | 0.936 | 22% | 0.216 | S | C | * | . | trans | -68.2 | 85.5 | 170.4 | -65.4 | -54.3 | 0 | 0 | 0 | 110.1 | ||||
| 84 | L | 69.9 | Low | 86.7 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 20% | 0.199 | 23% | 0.226 | C | C | . | . | trans | -80 | 146.9 | -176.6 | -46.7 | 102.1 | 0 | 0 | 0 | 112 | Y79 M80 Q82 R86 I88 L92 | Y79-L84 WeakPolarHBondContact O-CD1 3.34Å; Y79-L84 WeakPolarHBondContact O-CD2 3.35Å; Y79-L84 WeakPolarHBondContact O-CG 3.42Å; M80-L84 WeakPolarHBondContact O-CD1 3.46Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 WeakPolarHBondContact O-CD1 3.38Å; Q82-L84 WeakPolarHBondContact O-CG 3.49Å; Q82-L84 PolarHBondContact O-N 3.15Å; L84-R86 PolarHBondContact O-N 2.76Å; L84-I88 HydrophobicContact CB-CB 4.46Å; L84-I88 HydrophobicContact CD2-CB 3.77Å; L84-I88 HydrophobicContact CD2-CG2 3.49Å; L84-I88 VanDerWaalsContact CD2-CG2 3.49Å; L84-L92 HydrophobicContact CD2-CD1 3.87Å | ||
| 85 | S | 74.9 | Confident | 86.9 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | trans | -56.9 | 135.9 | 153.6 | 68.3 | 0 | 0 | 0 | 0 | 110.6 | R87 I88 | S85-R87 PolarHBondContact O-N 3.44Å; S85-I88 PolarHBondContact O-N 2.73Å | ||
| 86 | R | 85.4 | Confident | 87 | Confident | 127 Ų | 127 | 44.4 Ų | 44.4 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -33.9 | -47.6 | 173.9 | 175.8 | -173.6 | 179.8 | 123.3 | 0.3 | 113.7 | L84 I88 C89 V90 D130 E132 | L84-R86 PolarHBondContact O-N 2.76Å; R86-I88 VanDerWaalsContact C-N 3.34Å; R86-I88 PolarHBondContact O-N 3.36Å; R86-C89 WeakPolarHBondContact O-CB 3.35Å; R86-C89 PolarHBondContact O-N 2.74Å; R86-C89 VanDerWaalsContact O-N 3.13Å; R86-V90 HydrophobicContact CG-CG2 4.14Å; R86-V90 WeakPolarHBondContact O-CG2 3.46Å; R86-V90 PolarHBondContact O-N 2.76Å; R86-D130 WeakPolarHBondContact CD-OD2 3.5Å; R86-D130 WeakPolarHBondContact CG-OD2 3.3Å; R86-D130 IonicContact CZ-OD1 3.43Å; R86-D130 IonicContact CZ-OD2 2.78Å; R86-D130 IonicContact NE-OD1 3.71Å; R86-D130 IonicContact NE-OD2 3.43Å; R86-D130 PolarHBondContact NE-OD2 3.25Å; R86-D130 IonicContact NH1-OD1 2.76Å; R86-D130 PolarHBondContact NH1-OD1 3.29Å; R86-D130 IonicContact NH1-OD2 2.68Å; R86-D130 PolarHBondContact NH1-OD2 2.95Å; R86-D130 IonicContact NH2-OD1 3.25Å; R86-D130 PolarHBondContact NH2-OD1 3.47Å; R86-D130 IonicContact NH2-OD2 3.68Å; R86-E132 IonicContact CZ-OE2 2.8Å; R86-E132 VanDerWaalsContact CZ-OE2 3.23Å; R86-E132 IonicContact NE-OE2 3.1Å; R86-E132 PolarHBondContact NE-OE2 2.82Å; R86-E132 IonicContact NH2-OE2 2.74Å; R86-E132 PolarHBondContact NH2-OE2 3.31Å |
| 87 | R | 84.4 | Confident | 87.1 | Confident | 169 Ų | 169 | 44.8 Ų | 44.8 | 64% | 0.638 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -56.6 | -39.3 | -176.7 | -61.2 | -178.4 | -168.2 | -112.5 | 4.1 | 113.7 | S85 Q91 | S85-R87 PolarHBondContact O-N 3.44Å; R87-Q91 VanDerWaalsContact O-CB 3.28Å; R87-Q91 WeakPolarHBondContact O-CB 3.33Å; R87-Q91 PolarHBondContact O-N 3.14Å |
| 88 | I | 87.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.9 | -38.8 | 177.7 | -58.1 | 161.2 | 0 | 0 | 0 | 110.5 | V34 V43 L46 L84 S85 R86 Q91 L92 | V34-I88 HydrophobicContact CB-CD1 4.32Å; V34-I88 HydrophobicContact CG1-CD1 3.3Å; V34-I88 HydrophobicContact CG2-CD1 4.02Å; V43-I88 HydrophobicContact CG2-CG1 3.89Å; L46-I88 HydrophobicContact CD1-CG2 4.2Å; L84-I88 HydrophobicContact CB-CB 4.46Å; L84-I88 HydrophobicContact CD2-CB 3.77Å; L84-I88 HydrophobicContact CD2-CG2 3.49Å; L84-I88 VanDerWaalsContact CD2-CG2 3.49Å; S85-I88 PolarHBondContact O-N 2.73Å; R86-I88 VanDerWaalsContact C-N 3.34Å; R86-I88 PolarHBondContact O-N 3.36Å; I88-Q91 PolarHBondContact O-N 2.94Å; I88-L92 HydrophobicContact CG2-CD1 3.68Å; I88-L92 HydrophobicContact CG2-CG 4.07Å; I88-L92 WeakPolarHBondContact O-CB 3.49Å; I88-L92 VanDerWaalsContact O-CG 3.28Å; I88-L92 WeakPolarHBondContact O-CG 3.27Å; I88-L92 PolarHBondContact O-N 3.16Å |
| 89 | C | 88.9 | Confident | 87.5 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 12% | 0.122 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 176.1 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | R86 L92 L93 | R86-C89 WeakPolarHBondContact O-CB 3.35Å; R86-C89 PolarHBondContact O-N 2.74Å; R86-C89 VanDerWaalsContact O-N 3.13Å; C89-L92 PolarHBondContact O-N 3.19Å; C89-L93 PolarHBondContact O-N 3.48Å |
| 90 | V | 91.1 | Very high | 87.5 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -49.2 | 173.2 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | R86 L92 L93 Q94 E132 V133 Y136 | R86-V90 HydrophobicContact CG-CG2 4.14Å; R86-V90 WeakPolarHBondContact O-CG2 3.46Å; R86-V90 PolarHBondContact O-N 2.76Å; V90-L92 VanDerWaalsContact C-N 3.32Å; V90-L92 PolarHBondContact O-N 3.25Å; V90-L93 PolarHBondContact O-N 2.68Å; V90-Q94 HydrophobicContact CG1-CG 4.29Å; V90-Q94 WeakPolarHBondContact O-CB 3.34Å; V90-Q94 WeakPolarHBondContact O-CG 3.23Å; V90-Q94 PolarHBondContact O-N 3.05Å; V90-E132 HydrophobicContact CG2-CG 4.02Å; V90-V133 HydrophobicContact CG2-CG2 3.91Å; V90-Y136 HydrophobicContact CG1-CD2 3.86Å; V90-Y136 HydrophobicContact CG1-CE2 3.56Å; V90-Y136 HydrophobicContact CG2-CD2 4.43Å |
| 91 | Q | 92.1 | Very high | 87.8 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 178.1 | -176.9 | 64.8 | 65.9 | 0 | 0 | 111.9 | V43 L46 R87 I88 Q94 T95 | V43-Q91 HydrophobicContact CB-CG 4.35Å; V43-Q91 HydrophobicContact CG1-CB 4.33Å; V43-Q91 HydrophobicContact CG1-CG 3.97Å; V43-Q91 HydrophobicContact CG2-CB 4.24Å; V43-Q91 HydrophobicContact CG2-CG 4.43Å; L46-Q91 HydrophobicContact CB-CG 4.24Å; R87-Q91 VanDerWaalsContact O-CB 3.28Å; R87-Q91 WeakPolarHBondContact O-CB 3.33Å; R87-Q91 PolarHBondContact O-N 3.14Å; I88-Q91 PolarHBondContact O-N 2.94Å; Q91-Q94 PolarHBondContact O-N 3.07Å; Q91-T95 PolarHBondContact NE2-OG1 2.98Å; Q91-T95 VanDerWaalsContact NE2-OG1 3.07Å; Q91-T95 WeakPolarHBondContact O-CB 3.2Å; Q91-T95 PolarHBondContact O-N 3.26Å; Q91-T95 PolarHBondContact O-OG1 3.4Å |
| 92 | L | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -48.4 | 177.8 | -77.3 | 164.5 | 0 | 0 | 0 | 111 | L46 F76 M80 L84 I88 C89 V90 T95 L96 | L46-L92 HydrophobicContact CD1-CD2 3.57Å; L46-L92 HydrophobicContact CD1-CG 3.85Å; L46-L92 HydrophobicContact CD2-CD2 3.72Å; L46-L92 HydrophobicContact CG-CD2 4.26Å; F76-L92 HydrophobicContact CB-CD2 3.87Å; F76-L92 HydrophobicContact CD1-CD2 4.5Å; F76-L92 HydrophobicContact CD2-CD2 4.28Å; F76-L92 HydrophobicContact CG-CD2 3.97Å; M80-L92 HydrophobicContact CG-CD1 3.72Å; L84-L92 HydrophobicContact CD2-CD1 3.87Å; I88-L92 HydrophobicContact CG2-CD1 3.68Å; I88-L92 HydrophobicContact CG2-CG 4.07Å; I88-L92 WeakPolarHBondContact O-CB 3.49Å; I88-L92 VanDerWaalsContact O-CG 3.28Å; I88-L92 WeakPolarHBondContact O-CG 3.27Å; I88-L92 PolarHBondContact O-N 3.16Å; C89-L92 PolarHBondContact O-N 3.19Å; V90-L92 VanDerWaalsContact C-N 3.32Å; V90-L92 PolarHBondContact O-N 3.25Å; L92-T95 PolarHBondContact O-N 3.46Å; L92-L96 WeakPolarHBondContact O-CB 3.21Å; L92-L96 WeakPolarHBondContact O-CD1 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.25Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.25Å |
| 93 | L | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 176.3 | -69.9 | 170.9 | 0 | 0 | 0 | 112.2 | C89 V90 T95 L96 N97 F126 V133 | C89-L93 PolarHBondContact O-N 3.48Å; V90-L93 PolarHBondContact O-N 2.68Å; L93-T95 PolarHBondContact O-N 3.22Å; L93-L96 PolarHBondContact O-N 3.03Å; L93-N97 WeakPolarHBondContact O-CB 3.5Å; L93-N97 PolarHBondContact O-N 3.22Å; L93-N97 PolarHBondContact O-ND2 2.85Å; L93-F126 HydrophobicContact CD1-CD1 4.24Å; L93-F126 HydrophobicContact CD1-CE1 3.89Å; L93-F126 HydrophobicContact CD2-CE1 3.97Å; L93-F126 HydrophobicContact CD2-CZ 3.91Å; L93-F126 HydrophobicContact CG-CE1 4.16Å; L93-V133 HydrophobicContact CD1-CG1 4.01Å |
| 94 | Q | 93 | Very high | 89.2 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 24% | 0.238 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 172.3 | -75.7 | 175.1 | -17.9 | 0 | 0 | 112 | V90 Q91 L96 N97 I98 Y136 | V90-Q94 HydrophobicContact CG1-CG 4.29Å; V90-Q94 WeakPolarHBondContact O-CB 3.34Å; V90-Q94 WeakPolarHBondContact O-CG 3.23Å; V90-Q94 PolarHBondContact O-N 3.05Å; Q91-Q94 PolarHBondContact O-N 3.07Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.92Å; Q94-N97 PolarHBondContact O-N 3.39Å; Q94-I98 WeakPolarHBondContact O-CB 2.99Å; Q94-I98 WeakPolarHBondContact O-CD1 3.41Å; Q94-I98 VanDerWaalsContact O-CG1 3.27Å; Q94-I98 WeakPolarHBondContact O-CG1 3.15Å; Q94-I98 PolarHBondContact O-N 3.25Å; Q94-Y136 HydrophobicContact CG-CD1 3.9Å; Q94-Y136 HydrophobicContact CG-CD2 4.42Å; Q94-Y136 HydrophobicContact CG-CE1 3.62Å; Q94-Y136 HydrophobicContact CG-CE2 4.17Å; Q94-Y136 HydrophobicContact CG-CG 4.32Å; Q94-Y136 VanDerWaalsContact NE2-CZ 3.28Å; Q94-Y136 PolarHBondContact NE2-OH 2.76Å |
| 95 | T | 93.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | -179.6 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | L46 A50 F76 Q91 L92 L93 L99 | L46-T95 WeakPolarHBondContact O-CG2 3.42Å; A50-T95 HydrophobicContact CB-CG2 3.66Å; F76-T95 HydrophobicContact CE2-CG2 3.95Å; F76-T95 HydrophobicContact CZ-CG2 4.31Å; Q91-T95 PolarHBondContact NE2-OG1 2.98Å; Q91-T95 VanDerWaalsContact NE2-OG1 3.07Å; Q91-T95 WeakPolarHBondContact O-CB 3.2Å; Q91-T95 PolarHBondContact O-N 3.26Å; Q91-T95 PolarHBondContact O-OG1 3.4Å; L92-T95 PolarHBondContact O-N 3.46Å; L93-T95 PolarHBondContact O-N 3.22Å; T95-L99 VanDerWaalsContact O-CB 3.23Å; T95-L99 WeakPolarHBondContact O-CB 3.25Å; T95-L99 PolarHBondContact O-N 2.99Å |
| 96 | L | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -44.6 | 175.6 | -71.8 | 164.8 | 0 | 0 | 0 | 112.2 | L73 F76 M80 L92 L93 Q94 L99 F100 I121 F140 | L73-L96 HydrophobicContact CD1-CD2 3.77Å; F76-L96 HydrophobicContact CD2-CD2 4.21Å; M80-L96 HydrophobicContact SD-CD1 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.21Å; L92-L96 WeakPolarHBondContact O-CD1 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.25Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.25Å; L93-L96 PolarHBondContact O-N 3.03Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.92Å; L96-L99 PolarHBondContact O-N 3.08Å; L96-F100 HydrophobicContact CD2-CE2 4.2Å; L96-F100 WeakPolarHBondContact O-CD2 3.43Å; L96-F100 PolarHBondContact O-N 3.13Å; L96-I121 HydrophobicContact CD1-CD1 4.02Å; L96-I121 HydrophobicContact CD1-CG2 4.08Å; L96-I121 HydrophobicContact CD2-CD1 4.1Å; L96-F140 HydrophobicContact CB-CD2 4.06Å; L96-F140 HydrophobicContact CB-CE2 3.88Å |
| 97 | N | 94 | Very high | 90.8 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -54 | 176.5 | -73.8 | -14.6 | 0 | 0 | 0 | 110.9 | L93 Q94 L99 F100 E101 Y136 F140 I143 | L93-N97 WeakPolarHBondContact O-CB 3.5Å; L93-N97 PolarHBondContact O-N 3.22Å; L93-N97 PolarHBondContact O-ND2 2.85Å; Q94-N97 PolarHBondContact O-N 3.39Å; N97-L99 VanDerWaalsContact C-N 3.27Å; N97-L99 PolarHBondContact O-N 2.92Å; N97-F100 PolarHBondContact O-N 3.15Å; N97-E101 WeakPolarHBondContact O-CB 3.42Å; N97-E101 PolarHBondContact O-N 3.07Å; N97-Y136 PolarHBondContact ND2-O 3.03Å; N97-F140 WeakPolarHBondContact OD1-CA 3.28Å; N97-F140 WeakPolarHBondContact OD1-CB 3.35Å; N97-F140 PolarHBondContact OD1-N 3.49Å; N97-I143 HydrophobicContact CB-CD1 3.67Å |
| 98 | I | 91.9 | Very high | 90.9 | Very high | 75 Ų | 75 | 35.9 Ų | 35.9 | 39% | 0.385 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.1 | -42.4 | 177.8 | -72.6 | 167 | 0 | 0 | 0 | 110.9 | A50 I54 Q94 N102 | A50-I98 HydrophobicContact CB-CG2 4.28Å; I54-I98 HydrophobicContact CD1-CG2 3.39Å; Q94-I98 WeakPolarHBondContact O-CB 2.99Å; Q94-I98 WeakPolarHBondContact O-CD1 3.41Å; Q94-I98 VanDerWaalsContact O-CG1 3.27Å; Q94-I98 WeakPolarHBondContact O-CG1 3.15Å; Q94-I98 PolarHBondContact O-N 3.25Å; I98-N102 WeakPolarHBondContact O-CB 3.31Å; I98-N102 PolarHBondContact O-N 3.07Å; I98-N102 VanDerWaalsContact O-N 3.16Å; I98-N102 PolarHBondContact O-ND2 2.56Å |
| 99 | L | 91.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -53.7 | 178.8 | -170.5 | 70.4 | 0 | 0 | 0 | 112.9 | L53 T95 L96 N97 E101 N102 I103 L112 | L53-L99 HydrophobicContact CB-CD1 3.73Å; L53-L99 HydrophobicContact CD1-CD1 3.62Å; L53-L99 HydrophobicContact CD1-CD2 4.49Å; L53-L99 HydrophobicContact CG-CD1 4.32Å; T95-L99 VanDerWaalsContact O-CB 3.23Å; T95-L99 WeakPolarHBondContact O-CB 3.25Å; T95-L99 PolarHBondContact O-N 2.99Å; L96-L99 PolarHBondContact O-N 3.08Å; N97-L99 VanDerWaalsContact C-N 3.27Å; N97-L99 PolarHBondContact O-N 2.92Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 3.07Å; L99-N102 PolarHBondContact O-N 2.84Å; L99-I103 HydrophobicContact CD1-CD1 3.52Å; L99-I103 HydrophobicContact CD1-CG1 4.19Å; L99-I103 HydrophobicContact CG-CD1 3.84Å; L99-I103 WeakPolarHBondContact O-CB 3.25Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 3.03Å; L99-I103 VanDerWaalsContact O-N 3.12Å; L99-L112 HydrophobicContact CD2-CD2 4.49Å |
| 100 | F | 91.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.5 | -20.4 | -177.4 | -80.5 | -78.1 | 0 | 0 | 0 | 113.6 | L96 N97 L112 L113 T118 F140 I143 L144 R147 | L96-F100 HydrophobicContact CD2-CE2 4.2Å; L96-F100 WeakPolarHBondContact O-CD2 3.43Å; L96-F100 PolarHBondContact O-N 3.13Å; N97-F100 PolarHBondContact O-N 3.15Å; F100-L112 HydrophobicContact CE1-CB 3.83Å; F100-L112 HydrophobicContact CE1-CD1 4.31Å; F100-L112 HydrophobicContact CZ-CB 3.98Å; F100-L113 HydrophobicContact CE1-CD2 3.77Å; F100-L113 HydrophobicContact CZ-CD2 4.47Å; F100-T118 HydrophobicContact CZ-CG2 4.35Å; F100-F140 AromaticContact CD2-CE2 3.79Å; F100-F140 HydrophobicContact CD2-CE2 3.79Å; F100-F140 HydrophobicContact CE2-CE2 4.03Å; F100-F140 HydrophobicContact CE2-CZ 4.44Å; F100-I143 HydrophobicContact CB-CG2 3.75Å; F100-L144 HydrophobicContact CD1-CD2 3.85Å; F100-L144 HydrophobicContact CD2-CD2 4.39Å; F100-L144 HydrophobicContact CE1-CD2 4.07Å; F100-L144 HydrophobicContact CG-CD2 4.01Å; F100-L144 HydrophobicContact CZ-CD2 4.42Å; F100-R147 VanDerWaalsContact O-CZ 3.27Å; F100-R147 PolarHBondContact O-NE 3.45Å; F100-R147 PolarHBondContact O-NH2 2.89Å |
| 101 | E | 93.1 | Very high | 90.9 | Very high | 120 Ų | 120 | 45.3 Ų | 45.3 | 56% | 0.561 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -78.3 | -39.4 | 173 | -173.3 | 166.7 | -150.4 | 0 | 0 | 112 | N97 L99 I143 R147 | N97-E101 WeakPolarHBondContact O-CB 3.42Å; N97-E101 PolarHBondContact O-N 3.07Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 3.07Å; E101-I143 HydrophobicContact CB-CD1 4.26Å; E101-I143 HydrophobicContact CB-CG2 4.18Å; E101-R147 PolarHBondContact O-NH2 3.45Å |
| 102 | N | 91.8 | Very high | 90.8 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -101.1 | -18.6 | -169 | -68.2 | -89.8 | 0 | 0 | 0 | 115.9 | I54 I98 L99 T104 | I54-N102 HydrophobicContact CD1-CB 3.61Å; I54-N102 HydrophobicContact CG1-CB 3.83Å; I54-N102 HydrophobicContact CG2-CB 4.16Å; I98-N102 WeakPolarHBondContact O-CB 3.31Å; I98-N102 PolarHBondContact O-N 3.07Å; I98-N102 VanDerWaalsContact O-N 3.16Å; I98-N102 PolarHBondContact O-ND2 2.56Å; L99-N102 PolarHBondContact O-N 2.84Å; N102-T104 PolarHBondContact O-N 3.44Å |
| 103 | I | 89.8 | Confident | 90.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | -64 | 135.7 | 175.2 | -78.4 | 179.6 | 0 | 0 | 0 | 110.9 | D57 M64 L99 A108 I109 L112 R147 | D57-I103 HydrophobicContact CB-CG1 4.49Å; M64-I103 HydrophobicContact CE-CD1 4.24Å; M64-I103 HydrophobicContact SD-CD1 4.23Å; L99-I103 HydrophobicContact CD1-CD1 3.52Å; L99-I103 HydrophobicContact CD1-CG1 4.19Å; L99-I103 HydrophobicContact CG-CD1 3.84Å; L99-I103 WeakPolarHBondContact O-CB 3.25Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 3.03Å; L99-I103 VanDerWaalsContact O-N 3.12Å; I103-A108 HydrophobicContact CG2-CB 4Å; I103-I109 HydrophobicContact CG2-CD1 4.31Å; I103-I109 HydrophobicContact CG2-CG1 3.64Å; I103-L112 HydrophobicContact CD1-CD1 3.65Å; I103-R147 PolarHBondContact O-NH1 3.19Å; I103-R147 PolarHBondContact O-NH2 2.67Å | ||
| 104 | T | 89.2 | Confident | 90.1 | Very high | 90 Ų | 90 | 47.8 Ų | 47.8 | 55% | 0.552 | 24% | 0.243 | S | C | * | . | trans | -115.9 | -27.6 | -177.8 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | D57 N102 Q106 | D57-T104 PolarHBondContact OD1-N 3.19Å; D57-T104 WeakPolarHBondContact OD2-CB 3.46Å; D57-T104 PolarHBondContact OD2-N 3.2Å; D57-T104 PolarHBondContact OD2-OG1 3.1Å; N102-T104 PolarHBondContact O-N 3.44Å; T104-Q106 PolarHBondContact O-N 3.25Å | ||
| 105 | N | 88.2 | Confident | 89.2 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 32% | 0.316 | 25% | 0.247 | S | C | . | . | trans | -66.4 | 115.5 | 179.9 | -178.6 | -18.2 | 0 | 0 | 0 | 111 | D57 T107 A108 I109 | D57-N105 WeakPolarHBondContact OD1-CB 3.37Å; D57-N105 PolarHBondContact OD1-N 3.04Å; N105-T107 VanDerWaalsContact C-N 3.29Å; N105-T107 PolarHBondContact O-N 2.84Å; N105-T107 WeakPolarHBondContact OD1-CB 3.48Å; N105-T107 PolarHBondContact OD1-N 3.48Å; N105-A108 HydrophobicContact CB-CB 3.89Å; N105-A108 WeakPolarHBondContact O-CB 3.48Å; N105-A108 PolarHBondContact O-N 2.94Å; N105-A108 VanDerWaalsContact O-N 3.1Å; N105-A108 PolarHBondContact OD1-N 3.36Å; N105-I109 WeakPolarHBondContact O-CG1 3.49Å; N105-I109 PolarHBondContact O-N 2.86Å | ||
| 106 | Q | 88.1 | Confident | 88.6 | Confident | 136 Ų | 136 | 52.7 Ų | 52.7 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -57.5 | -40.4 | -179.9 | -71.7 | -169.1 | -11.7 | 0 | 0 | 112.6 | T104 A108 I109 Y110 | T104-Q106 PolarHBondContact O-N 3.25Å; Q106-A108 VanDerWaalsContact C-N 3.31Å; Q106-A108 PolarHBondContact O-N 2.89Å; Q106-I109 PolarHBondContact O-N 2.98Å; Q106-Y110 HydrophobicContact CB-CD2 4.25Å; Q106-Y110 HydrophobicContact CB-CE2 4.06Å; Q106-Y110 WeakPolarHBondContact O-CD2 3.49Å; Q106-Y110 PolarHBondContact O-N 2.89Å |
| 107 | T | 87.5 | Confident | 88.4 | Confident | 84 Ų | 84 | 53.6 Ų | 53.6 | 52% | 0.515 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.1 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | N105 Y110 Y111 | N105-T107 VanDerWaalsContact C-N 3.29Å; N105-T107 PolarHBondContact O-N 2.84Å; N105-T107 WeakPolarHBondContact OD1-CB 3.48Å; N105-T107 PolarHBondContact OD1-N 3.48Å; T107-Y110 PolarHBondContact O-N 3.37Å; T107-Y111 HydrophobicContact CG2-CD2 3.91Å; T107-Y111 HydrophobicContact CG2-CE2 3.83Å; T107-Y111 VanDerWaalsContact O-CD2 3.29Å; T107-Y111 WeakPolarHBondContact O-CD2 2.95Å; T107-Y111 PolarHBondContact O-N 3.48Å |
| 108 | A | 87.7 | Confident | 88.2 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M64 I103 N105 Q106 Y111 L112 | M64-A108 HydrophobicContact CE-CB 4.03Å; M64-A108 HydrophobicContact CG-CB 3.86Å; M64-A108 HydrophobicContact SD-CB 4.3Å; I103-A108 HydrophobicContact CG2-CB 4Å; N105-A108 HydrophobicContact CB-CB 3.89Å; N105-A108 WeakPolarHBondContact O-CB 3.48Å; N105-A108 PolarHBondContact O-N 2.94Å; N105-A108 VanDerWaalsContact O-N 3.1Å; N105-A108 PolarHBondContact OD1-N 3.36Å; Q106-A108 VanDerWaalsContact C-N 3.31Å; Q106-A108 PolarHBondContact O-N 2.89Å; A108-Y111 PolarHBondContact O-N 3.49Å; A108-L112 WeakPolarHBondContact O-CB 3.47Å; A108-L112 VanDerWaalsContact O-CG 3.29Å; A108-L112 WeakPolarHBondContact O-CG 3.43Å; A108-L112 PolarHBondContact O-N 2.83Å |
| 109 | I | 89.8 | Confident | 88.1 | Confident | 20 Ų | 20 | 50 Ų | 50 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 175.1 | -62 | 169.9 | 0 | 0 | 0 | 110.6 | I103 N105 Q106 Y111 L112 L113 | I103-I109 HydrophobicContact CG2-CD1 4.31Å; I103-I109 HydrophobicContact CG2-CG1 3.64Å; N105-I109 WeakPolarHBondContact O-CG1 3.49Å; N105-I109 PolarHBondContact O-N 2.86Å; Q106-I109 PolarHBondContact O-N 2.98Å; I109-Y111 VanDerWaalsContact C-N 3.32Å; I109-Y111 PolarHBondContact O-N 2.87Å; I109-L112 PolarHBondContact O-N 2.95Å; I109-L113 HydrophobicContact CG2-CD1 3.79Å; I109-L113 HydrophobicContact CG2-CG 4.18Å; I109-L113 WeakPolarHBondContact O-CG 3.44Å; I109-L113 PolarHBondContact O-N 3.44Å |
| 110 | Y | 89.4 | Confident | 88.1 | Confident | 71 Ų | 71 | 51 Ų | 51 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 178.7 | -77 | -59.8 | 0 | 0 | 0 | 111.8 | Q106 T107 L113 S114 N151 T152 F155 | Q106-Y110 HydrophobicContact CB-CD2 4.25Å; Q106-Y110 HydrophobicContact CB-CE2 4.06Å; Q106-Y110 WeakPolarHBondContact O-CD2 3.49Å; Q106-Y110 PolarHBondContact O-N 2.89Å; T107-Y110 PolarHBondContact O-N 3.37Å; Y110-L113 PolarHBondContact O-N 2.91Å; Y110-S114 VanDerWaalsContact O-CB 3.24Å; Y110-S114 WeakPolarHBondContact O-CB 3.49Å; Y110-S114 PolarHBondContact O-N 3.29Å; Y110-S114 PolarHBondContact O-OG 3.28Å; Y110-N151 HydrophobicContact CE1-CB 4.49Å; Y110-N151 WeakPolarHBondContact OH-CB 3.46Å; Y110-T152 HydrophobicContact CD1-CG2 4.44Å; Y110-T152 HydrophobicContact CE1-CG2 3.81Å; Y110-F155 AromaticContact CD1-CE2 3.57Å; Y110-F155 HydrophobicContact CD1-CE2 3.57Å; Y110-F155 AromaticContact CD1-CZ 3.82Å; Y110-F155 HydrophobicContact CD1-CZ 3.82Å; Y110-F155 AromaticContact CE1-CE2 3.95Å; Y110-F155 HydrophobicContact CE1-CE2 3.95Å; Y110-F155 HydrophobicContact CE1-CZ 4.41Å |
| 111 | Y | 87.3 | Confident | 88.1 | Confident | 134 Ų | 134 | 50.8 Ų | 50.8 | 53% | 0.525 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 175.6 | -86.1 | -66.8 | 0 | 0 | 0 | 114 | L68 T107 A108 I109 L113 S114 N115 | L68-Y111 HydrophobicContact CD1-CD2 3.78Å; L68-Y111 HydrophobicContact CD1-CG 3.86Å; T107-Y111 HydrophobicContact CG2-CD2 3.91Å; T107-Y111 HydrophobicContact CG2-CE2 3.83Å; T107-Y111 VanDerWaalsContact O-CD2 3.29Å; T107-Y111 WeakPolarHBondContact O-CD2 2.95Å; T107-Y111 PolarHBondContact O-N 3.48Å; A108-Y111 PolarHBondContact O-N 3.49Å; I109-Y111 VanDerWaalsContact C-N 3.32Å; I109-Y111 PolarHBondContact O-N 2.87Å; Y111-L113 VanDerWaalsContact C-N 3.32Å; Y111-S114 PolarHBondContact O-OG 3.38Å; Y111-N115 WeakPolarHBondContact O-CB 3.42Å; Y111-N115 PolarHBondContact O-N 3.33Å |
| 112 | L | 88.9 | Confident | 88.2 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.4 | -33 | 176.8 | -74.4 | 169.2 | 0 | 0 | 0 | 112.5 | M64 F67 L73 L99 F100 I103 A108 I109 T118 | M64-L112 HydrophobicContact CE-CD1 4.02Å; M64-L112 HydrophobicContact CE-CD2 4.25Å; M64-L112 HydrophobicContact CE-CG 4.07Å; F67-L112 HydrophobicContact CE1-CD2 3.83Å; L73-L112 HydrophobicContact CD2-CD2 4.04Å; L99-L112 HydrophobicContact CD2-CD2 4.49Å; F100-L112 HydrophobicContact CE1-CB 3.83Å; F100-L112 HydrophobicContact CE1-CD1 4.31Å; F100-L112 HydrophobicContact CZ-CB 3.98Å; I103-L112 HydrophobicContact CD1-CD1 3.65Å; A108-L112 WeakPolarHBondContact O-CB 3.47Å; A108-L112 VanDerWaalsContact O-CG 3.29Å; A108-L112 WeakPolarHBondContact O-CG 3.43Å; A108-L112 PolarHBondContact O-N 2.83Å; I109-L112 PolarHBondContact O-N 2.95Å; L112-T118 PolarHBondContact O-OG1 2.94Å |
| 113 | L | 89.5 | Confident | 88.2 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -85.3 | -39.7 | 179.2 | -64 | -175.5 | 0 | 0 | 0 | 112.8 | F100 I109 Y110 Y111 N115 T118 L144 T152 F155 F156 | F100-L113 HydrophobicContact CE1-CD2 3.77Å; F100-L113 HydrophobicContact CZ-CD2 4.47Å; I109-L113 HydrophobicContact CG2-CD1 3.79Å; I109-L113 HydrophobicContact CG2-CG 4.18Å; I109-L113 WeakPolarHBondContact O-CG 3.44Å; I109-L113 PolarHBondContact O-N 3.44Å; Y110-L113 PolarHBondContact O-N 2.91Å; Y111-L113 VanDerWaalsContact C-N 3.32Å; L113-N115 VanDerWaalsContact C-N 3.27Å; L113-N115 PolarHBondContact O-N 3.18Å; L113-T118 HydrophobicContact CD2-CG2 4.08Å; L113-L144 HydrophobicContact CD2-CD2 4.35Å; L113-T152 HydrophobicContact CD1-CG2 4.3Å; L113-F155 HydrophobicContact CB-CB 3.95Å; L113-F155 HydrophobicContact CB-CD2 3.78Å; L113-F155 HydrophobicContact CB-CG 3.85Å; L113-F155 HydrophobicContact CD1-CD2 4.25Å; L113-F156 HydrophobicContact CD1-CE2 4Å; L113-F156 HydrophobicContact CD1-CZ 4.24Å; L113-F156 HydrophobicContact CD2-CE1 4.22Å; L113-F156 HydrophobicContact CD2-CE2 4.05Å; L113-F156 HydrophobicContact CD2-CZ 3.46Å; L113-F156 VanDerWaalsContact CD2-CZ 3.46Å; L113-F156 HydrophobicContact CG-CZ 4.42Å |
| 114 | S | 84.3 | Confident | 88.3 | Confident | 65 Ų | 65 | 47 Ų | 47 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.2 | -24.5 | -179.6 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | Y110 Y111 N116 | Y110-S114 VanDerWaalsContact O-CB 3.24Å; Y110-S114 WeakPolarHBondContact O-CB 3.49Å; Y110-S114 PolarHBondContact O-N 3.29Å; Y110-S114 PolarHBondContact O-OG 3.28Å; Y111-S114 PolarHBondContact O-OG 3.38Å; S114-N116 PolarHBondContact O-N 3.36Å |
| 115 | N | 72.9 | Confident | 88.3 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -84.9 | 110 | 176.5 | -157.4 | -8.7 | 0 | 0 | 0 | 108.5 | N71 Y111 L113 H117 T118 | N71-N115 PolarHBondContact OD1-ND2 2.95Å; Y111-N115 WeakPolarHBondContact O-CB 3.42Å; Y111-N115 PolarHBondContact O-N 3.33Å; L113-N115 VanDerWaalsContact C-N 3.27Å; L113-N115 PolarHBondContact O-N 3.18Å; N115-H117 VanDerWaalsContact CG-CD2 3.44Å; N115-H117 PolarHBondContact ND2-NE2 2.87Å; N115-H117 PolarHBondContact O-N 3.47Å; N115-H117 PolarHBondContact OD1-NE2 2.85Å; N115-T118 PolarHBondContact O-N 3.17Å |
| 116 | N | 81.7 | Confident | 88.3 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 51% | 0.508 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 4.4 | -161.8 | -161.1 | 43.3 | 0 | 0 | 0 | 116.2 | S114 T118 N119 A120 | S114-N116 PolarHBondContact O-N 3.36Å; N116-T118 PolarHBondContact O-N 3.16Å; N116-N119 PolarHBondContact O-N 3.37Å; N116-N119 WeakPolarHBondContact OD1-CB 3.32Å; N116-N119 PolarHBondContact OD1-ND2 2.78Å; N116-A120 WeakPolarHBondContact O-CB 3.41Å; N116-A120 PolarHBondContact O-N 3.28Å; N116-A120 VanDerWaalsContact O-N 3.12Å |
| 117 | H | 87.4 | Confident | 88.3 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -49.9 | -40.2 | 165.9 | -54.5 | -49 | 0 | 0 | 0 | 112.1 | N71 L73 N115 A120 I121 | N71-H117 PolarHBondContact OD1-NE2 3.14Å; L73-H117 HydrophobicContact CD2-CB 3.87Å; L73-H117 HydrophobicContact CG-CB 4.04Å; N115-H117 VanDerWaalsContact CG-CD2 3.44Å; N115-H117 PolarHBondContact ND2-NE2 2.87Å; N115-H117 PolarHBondContact O-N 3.47Å; N115-H117 PolarHBondContact OD1-NE2 2.85Å; H117-A120 CarbonylContact O-C 3.25Å; H117-A120 WeakPolarHBondContact O-CA 3.32Å; H117-A120 PolarHBondContact O-N 3.18Å; H117-A120 VanDerWaalsContact O-N 3.16Å; H117-I121 VanDerWaalsContact O-CG1 3.25Å; H117-I121 WeakPolarHBondContact O-CG1 3.07Å; H117-I121 PolarHBondContact O-N 3.29Å |
| 118 | T | 90.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | -176.6 | -60.6 | 0 | 0 | 0 | 0 | 112 | F100 L112 L113 N115 N116 A120 I121 I122 L144 F156 | F100-T118 HydrophobicContact CZ-CG2 4.35Å; L112-T118 PolarHBondContact O-OG1 2.94Å; L113-T118 HydrophobicContact CD2-CG2 4.08Å; N115-T118 PolarHBondContact O-N 3.17Å; N116-T118 PolarHBondContact O-N 3.16Å; T118-A120 VanDerWaalsContact C-N 3.33Å; T118-A120 PolarHBondContact O-N 3.45Å; T118-I121 WeakPolarHBondContact O-CB 3.35Å; T118-I121 PolarHBondContact O-N 3.43Å; T118-I122 HydrophobicContact CG2-CD1 4.48Å; T118-I122 WeakPolarHBondContact O-CG1 3.28Å; T118-I122 PolarHBondContact O-N 3.12Å; T118-L144 HydrophobicContact CG2-CD1 4.01Å; T118-L144 HydrophobicContact CG2-CD2 4.1Å; T118-F156 HydrophobicContact CG2-CE1 3.89Å; T118-F156 HydrophobicContact CG2-CZ 4.49Å |
| 119 | N | 90.8 | Very high | 88.5 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -33.5 | 173.9 | -59.7 | -39.1 | 0 | 0 | 0 | 112.1 | N116 I121 I122 T123 F155 F156 | N116-N119 PolarHBondContact O-N 3.37Å; N116-N119 WeakPolarHBondContact OD1-CB 3.32Å; N116-N119 PolarHBondContact OD1-ND2 2.78Å; N119-I121 PolarHBondContact O-N 3.48Å; N119-I122 PolarHBondContact O-N 3.08Å; N119-T123 PolarHBondContact O-N 2.93Å; N119-T123 PolarHBondContact O-OG1 3.31Å; N119-F155 PolarHBondContact ND2-O 2.93Å; N119-F156 WeakPolarHBondContact OD1-CD1 3.17Å |
| 120 | A | 91.4 | Very high | 88.6 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.4 | -15.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L77 N116 H117 T118 | L77-A120 HydrophobicContact CD1-CB 3.77Å; L77-A120 HydrophobicContact CD2-CB 4.12Å; N116-A120 WeakPolarHBondContact O-CB 3.41Å; N116-A120 PolarHBondContact O-N 3.28Å; N116-A120 VanDerWaalsContact O-N 3.12Å; H117-A120 CarbonylContact O-C 3.25Å; H117-A120 WeakPolarHBondContact O-CA 3.32Å; H117-A120 PolarHBondContact O-N 3.18Å; H117-A120 VanDerWaalsContact O-N 3.16Å; T118-A120 VanDerWaalsContact C-N 3.33Å; T118-A120 PolarHBondContact O-N 3.45Å |
| 121 | I | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -86.2 | -41.9 | 169.2 | -68.5 | 162 | 0 | 0 | 0 | 110 | L77 M80 L96 H117 T118 N119 H124 F140 | L77-I121 HydrophobicContact CD1-CG1 3.79Å; M80-I121 HydrophobicContact CE-CG1 4.46Å; M80-I121 HydrophobicContact CE-CG2 3.88Å; M80-I121 HydrophobicContact SD-CG1 3.97Å; M80-I121 HydrophobicContact SD-CG2 4.27Å; L96-I121 HydrophobicContact CD1-CD1 4.02Å; L96-I121 HydrophobicContact CD1-CG2 4.08Å; L96-I121 HydrophobicContact CD2-CD1 4.1Å; H117-I121 VanDerWaalsContact O-CG1 3.25Å; H117-I121 WeakPolarHBondContact O-CG1 3.07Å; H117-I121 PolarHBondContact O-N 3.29Å; T118-I121 WeakPolarHBondContact O-CB 3.35Å; T118-I121 PolarHBondContact O-N 3.43Å; N119-I121 PolarHBondContact O-N 3.48Å; I121-H124 VanDerWaalsContact O-CB 3.25Å; I121-H124 WeakPolarHBondContact O-CB 3.44Å; I121-H124 PolarHBondContact O-N 3.32Å; I121-F140 HydrophobicContact CB-CE1 4.19Å; I121-F140 HydrophobicContact CB-CZ 4.39Å; I121-F140 HydrophobicContact CG2-CD1 4.15Å; I121-F140 HydrophobicContact CG2-CE1 3.4Å; I121-F140 VanDerWaalsContact CG2-CE1 3.4Å; I121-F140 HydrophobicContact CG2-CZ 3.75Å |
| 122 | I | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 176.2 | -68 | 161.3 | 0 | 0 | 0 | 110.9 | T118 N119 H124 Y137 F140 L141 L144 F156 D165 L166 E169 | T118-I122 HydrophobicContact CG2-CD1 4.48Å; T118-I122 WeakPolarHBondContact O-CG1 3.28Å; T118-I122 PolarHBondContact O-N 3.12Å; N119-I122 PolarHBondContact O-N 3.08Å; I122-H124 PolarHBondContact O-N 2.97Å; I122-Y137 PolarHBondContact O-OH 3.31Å; I122-F140 HydrophobicContact CG1-CE1 4.16Å; I122-L141 HydrophobicContact CB-CD2 4.33Å; I122-L141 HydrophobicContact CG1-CD2 3.87Å; I122-L141 HydrophobicContact CG2-CD2 3.96Å; I122-L144 HydrophobicContact CD1-CD1 3.85Å; I122-L144 HydrophobicContact CG1-CD1 3.98Å; I122-F156 HydrophobicContact CD1-CD1 3.89Å; I122-F156 HydrophobicContact CD1-CE1 3.95Å; I122-D165 HydrophobicContact CG2-CB 3.95Å; I122-L166 HydrophobicContact CD1-CB 3.98Å; I122-L166 HydrophobicContact CD1-CD1 4.21Å; I122-E169 HydrophobicContact CG2-CB 4.34Å; I122-E169 HydrophobicContact CG2-CG 4.19Å |
| 123 | T | 93 | Very high | 89.1 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 5 | -178.9 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | N119 D165 | N119-T123 PolarHBondContact O-N 2.93Å; N119-T123 PolarHBondContact O-OG1 3.31Å; T123-D165 HydrophobicContact CG2-CB 3.61Å; T123-D165 VanDerWaalsContact CG2-OD2 3.27Å; T123-D165 WeakPolarHBondContact CG2-OD2 3.44Å |
| 124 | H | 90.8 | Very high | 89.3 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 21% | 0.213 | 28% | 0.276 | C | S | . | . | trans | -71.6 | 134.5 | 178.1 | -170.9 | -92.4 | 0 | 0 | 0 | 111.2 | M80 I121 I122 F126 | M80-H124 PolarHBondContact O-CE1 3.39Å; M80-H124 PolarHBondContact O-NE2 3.28Å; I121-H124 VanDerWaalsContact O-CB 3.25Å; I121-H124 WeakPolarHBondContact O-CB 3.44Å; I121-H124 PolarHBondContact O-N 3.32Å; I122-H124 PolarHBondContact O-N 2.97Å; H124-F126 HydrophobicContact CB-CD2 4.39Å; H124-F126 HydrophobicContact CB-CE2 3.72Å; H124-F126 HydrophobicContact CB-CZ 3.97Å; H124-F126 AromaticContact ND1-CD1 3.92Å; H124-F126 AromaticContact ND1-CE1 3.82Å; H124-F126 AromaticContact ND1-CE2 3.91Å; H124-F126 AromaticContact ND1-CZ 3.82Å; H124-F126 WeakPolarHBondContact O-CD2 3.43Å; H124-F126 WeakPolarHBondContact O-CE2 3.37Å; H124-F126 PolarHBondContact O-N 2.98Å | ||
| 125 | R | 88.8 | Confident | 89.8 | Confident | 228 Ų | 228 | 51.9 Ų | 51.9 | 86% | 0.86 | 27% | 0.274 | S | S | * | . | trans | -84.2 | 98.9 | 176.6 | -70.4 | -171.3 | 174.3 | -157.3 | -5.3 | 110.2 | ||||
| 126 | F | 89.6 | Confident | 90.9 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | trans | -82.3 | 159.1 | 170.7 | -58.1 | -91 | 0 | 0 | 0 | 111.1 | M80 L93 H124 F128 V133 Y137 | M80-F126 HydrophobicContact CE-CE1 3.55Å; M80-F126 HydrophobicContact CE-CZ 3.36Å; L93-F126 HydrophobicContact CD1-CD1 4.24Å; L93-F126 HydrophobicContact CD1-CE1 3.89Å; L93-F126 HydrophobicContact CD2-CE1 3.97Å; L93-F126 HydrophobicContact CD2-CZ 3.91Å; L93-F126 HydrophobicContact CG-CE1 4.16Å; H124-F126 HydrophobicContact CB-CD2 4.39Å; H124-F126 HydrophobicContact CB-CE2 3.72Å; H124-F126 HydrophobicContact CB-CZ 3.97Å; H124-F126 AromaticContact ND1-CD1 3.92Å; H124-F126 AromaticContact ND1-CE1 3.82Å; H124-F126 AromaticContact ND1-CE2 3.91Å; H124-F126 AromaticContact ND1-CZ 3.82Å; H124-F126 WeakPolarHBondContact O-CD2 3.43Å; H124-F126 WeakPolarHBondContact O-CE2 3.37Å; H124-F126 PolarHBondContact O-N 2.98Å; F126-F128 HydrophobicContact CB-CD1 4.05Å; F126-F128 HydrophobicContact CB-CE1 3.66Å; F126-F128 HydrophobicContact CB-CZ 4.13Å; F126-F128 HydrophobicContact CD2-CE1 4.21Å; F126-F128 HydrophobicContact CD2-CZ 4.24Å; F126-F128 HydrophobicContact CG-CE1 4.27Å; F126-F128 PolarHBondContact O-N 2.91Å; F126-V133 HydrophobicContact CB-CG1 3.91Å; F126-V133 HydrophobicContact CD1-CG1 3.84Å; F126-V133 HydrophobicContact CG-CG1 4.18Å; F126-Y137 AromaticContact CD2-CD2 3.63Å; F126-Y137 HydrophobicContact CD2-CD2 3.63Å; F126-Y137 AromaticContact CD2-CE2 3.82Å; F126-Y137 HydrophobicContact CD2-CE2 3.82Å; F126-Y137 HydrophobicContact CD2-CG 4.17Å; F126-Y137 AromaticContact CE2-CD2 3.27Å; F126-Y137 HydrophobicContact CE2-CD2 3.27Å; F126-Y137 AromaticContact CE2-CE2 3.39Å; F126-Y137 HydrophobicContact CE2-CE2 3.39Å; F126-Y137 HydrophobicContact CE2-CG 4.23Å; F126-Y137 AromaticContact CZ-CD2 3.93Å; F126-Y137 HydrophobicContact CZ-CD2 3.93Å; F126-Y137 HydrophobicContact CZ-CE2 4.33Å | ||
| 127 | D | 87.7 | Confident | 91.6 | Very high | 113 Ų | 113 | 48 Ų | 48 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | trans | -80.5 | 103.9 | 165 | -176.6 | 7.9 | 0 | 0 | 0 | 109.7 | A129 D130 | D127-A129 VanDerWaalsContact C-N 3.3Å; D127-A129 WeakPolarHBondContact OD1-CB 3.44Å; D127-A129 PolarHBondContact OD1-N 2.85Å; D127-D130 PolarHBondContact O-N 2.86Å | ||
| 128 | F | 90.2 | Very high | 92 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 31% | 0.311 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.2 | 176.8 | -59.3 | -45.5 | 0 | 0 | 0 | 113.6 | F126 D130 M134 Y137 | F126-F128 HydrophobicContact CB-CD1 4.05Å; F126-F128 HydrophobicContact CB-CE1 3.66Å; F126-F128 HydrophobicContact CB-CZ 4.13Å; F126-F128 HydrophobicContact CD2-CE1 4.21Å; F126-F128 HydrophobicContact CD2-CZ 4.24Å; F126-F128 HydrophobicContact CG-CE1 4.27Å; F126-F128 PolarHBondContact O-N 2.91Å; F128-D130 PolarHBondContact O-N 3.5Å; F128-M134 HydrophobicContact CB-SD 4.09Å; F128-M134 HydrophobicContact CD1-CB 4.18Å; F128-M134 HydrophobicContact CD1-CG 4.36Å; F128-M134 HydrophobicContact CD1-SD 3.33Å; F128-M134 WeakPolarHBondContact CD1-SD 3.47Å; F128-M134 HydrophobicContact CD2-SD 4.38Å; F128-M134 HydrophobicContact CE1-SD 3.74Å; F128-M134 HydrophobicContact CG-SD 3.7Å; F128-M134 HydrophobicContact CZ-SD 4.42Å; F128-Y137 AromaticContact CE1-CD1 3.54Å; F128-Y137 HydrophobicContact CE1-CD1 3.54Å; F128-Y137 HydrophobicContact CE1-CE1 4.06Å; F128-Y137 AromaticContact CE1-CG 3.94Å; F128-Y137 HydrophobicContact CE1-CG 3.94Å; F128-Y137 AromaticContact CZ-CD1 3.58Å; F128-Y137 HydrophobicContact CZ-CD1 3.58Å; F128-Y137 AromaticContact CZ-CE1 3.59Å; F128-Y137 HydrophobicContact CZ-CE1 3.59Å; F128-Y137 HydrophobicContact CZ-CG 4.24Å |
| 129 | A | 89.9 | Confident | 92.3 | Very high | 90 Ų | 90 | 49 Ų | 49 | 74% | 0.744 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -13.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D127 | D127-A129 VanDerWaalsContact C-N 3.3Å; D127-A129 WeakPolarHBondContact OD1-CB 3.44Å; D127-A129 PolarHBondContact OD1-N 2.85Å |
| 130 | D | 90.6 | Very high | 92.6 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | trans | -96.3 | 97.4 | 172.5 | -167.8 | -14.7 | 0 | 0 | 0 | 111.6 | R86 D127 F128 E132 V133 M134 | R86-D130 WeakPolarHBondContact CD-OD2 3.5Å; R86-D130 WeakPolarHBondContact CG-OD2 3.3Å; R86-D130 IonicContact CZ-OD1 3.43Å; R86-D130 IonicContact CZ-OD2 2.78Å; R86-D130 IonicContact NE-OD1 3.71Å; R86-D130 IonicContact NE-OD2 3.43Å; R86-D130 PolarHBondContact NE-OD2 3.25Å; R86-D130 IonicContact NH1-OD1 2.76Å; R86-D130 PolarHBondContact NH1-OD1 3.29Å; R86-D130 IonicContact NH1-OD2 2.68Å; R86-D130 PolarHBondContact NH1-OD2 2.95Å; R86-D130 IonicContact NH2-OD1 3.25Å; R86-D130 PolarHBondContact NH2-OD1 3.47Å; R86-D130 IonicContact NH2-OD2 3.68Å; D127-D130 PolarHBondContact O-N 2.86Å; F128-D130 PolarHBondContact O-N 3.5Å; D130-E132 PolarHBondContact O-N 2.97Å; D130-E132 WeakPolarHBondContact OD1-CB 3.13Å; D130-E132 PolarHBondContact OD1-N 2.88Å; D130-E132 VanDerWaalsContact OD1-N 3.09Å; D130-V133 HydrophobicContact CB-CB 4.09Å; D130-V133 HydrophobicContact CB-CG2 4Å; D130-V133 PolarHBondContact O-N 3.09Å; D130-M134 WeakPolarHBondContact O-CB 3.35Å; D130-M134 PolarHBondContact O-N 2.9Å | ||
| 131 | E | 90.4 | Very high | 92.9 | Very high | 100 Ų | 100 | 47.6 Ų | 47.6 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -52.5 | -27.8 | 176.8 | -67.2 | -72.6 | -179.2 | 0 | 0 | 113.6 | A135 H176 | E131-A135 VanDerWaalsContact O-CB 3.22Å; E131-A135 WeakPolarHBondContact O-CB 3.29Å; E131-A135 PolarHBondContact O-N 3.22Å; E131-H176 IonicContact OE1-CE1 2.99Å; E131-H176 IonicContact OE2-CE1 2.94Å |
| 132 | E | 91.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.4 | -44.7 | 176.5 | -175.9 | 179.4 | -160.3 | 0 | 0 | 111.3 | R86 V90 D130 A135 Y136 | R86-E132 IonicContact CZ-OE2 2.8Å; R86-E132 VanDerWaalsContact CZ-OE2 3.23Å; R86-E132 IonicContact NE-OE2 3.1Å; R86-E132 PolarHBondContact NE-OE2 2.82Å; R86-E132 IonicContact NH2-OE2 2.74Å; R86-E132 PolarHBondContact NH2-OE2 3.31Å; V90-E132 HydrophobicContact CG2-CG 4.02Å; D130-E132 PolarHBondContact O-N 2.97Å; D130-E132 WeakPolarHBondContact OD1-CB 3.13Å; D130-E132 PolarHBondContact OD1-N 2.88Å; D130-E132 VanDerWaalsContact OD1-N 3.09Å; E132-A135 PolarHBondContact O-N 3.43Å; E132-Y136 HydrophobicContact CG-CD2 3.88Å; E132-Y136 HydrophobicContact CG-CE2 3.49Å; E132-Y136 VanDerWaalsContact CG-CE2 3.49Å; E132-Y136 WeakPolarHBondContact O-CD2 3.24Å; E132-Y136 PolarHBondContact O-N 3.25Å |
| 133 | V | 93.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | V90 L93 F126 D130 A135 Y136 Y137 | V90-V133 HydrophobicContact CG2-CG2 3.91Å; L93-V133 HydrophobicContact CD1-CG1 4.01Å; F126-V133 HydrophobicContact CB-CG1 3.91Å; F126-V133 HydrophobicContact CD1-CG1 3.84Å; F126-V133 HydrophobicContact CG-CG1 4.18Å; D130-V133 HydrophobicContact CB-CB 4.09Å; D130-V133 HydrophobicContact CB-CG2 4Å; D130-V133 PolarHBondContact O-N 3.09Å; V133-A135 PolarHBondContact O-N 3.27Å; V133-Y136 PolarHBondContact O-N 3.26Å; V133-Y137 VanDerWaalsContact O-CB 3.28Å; V133-Y137 WeakPolarHBondContact O-CB 3.47Å; V133-Y137 PolarHBondContact O-N 2.95Å |
| 134 | M | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 174.8 | -174.1 | 54 | -120.3 | 0 | 0 | 111.6 | F128 D130 Y137 I138 L173 V181 | F128-M134 HydrophobicContact CB-SD 4.09Å; F128-M134 HydrophobicContact CD1-CB 4.18Å; F128-M134 HydrophobicContact CD1-CG 4.36Å; F128-M134 HydrophobicContact CD1-SD 3.33Å; F128-M134 WeakPolarHBondContact CD1-SD 3.47Å; F128-M134 HydrophobicContact CD2-SD 4.38Å; F128-M134 HydrophobicContact CE1-SD 3.74Å; F128-M134 HydrophobicContact CG-SD 3.7Å; F128-M134 HydrophobicContact CZ-SD 4.42Å; D130-M134 WeakPolarHBondContact O-CB 3.35Å; D130-M134 PolarHBondContact O-N 2.9Å; M134-Y137 HydrophobicContact CE-CD1 4.4Å; M134-Y137 PolarHBondContact O-N 2.99Å; M134-I138 HydrophobicContact CE-CB 3.74Å; M134-I138 HydrophobicContact CE-CG1 4.49Å; M134-I138 HydrophobicContact CE-CG2 4.23Å; M134-I138 WeakPolarHBondContact O-CG2 3.02Å; M134-I138 PolarHBondContact O-N 3.17Å; M134-L173 HydrophobicContact CE-CD1 3.61Å; M134-L173 HydrophobicContact CE-CD2 3.95Å; M134-L173 HydrophobicContact CE-CG 4.31Å; M134-L173 HydrophobicContact SD-CD1 4.47Å; M134-L173 HydrophobicContact SD-CD2 4Å; M134-V181 HydrophobicContact CE-CG1 3.75Å; M134-V181 HydrophobicContact CE-CG2 4.33Å; M134-V181 HydrophobicContact CG-CG2 4.37Å |
| 135 | A | 94.6 | Very high | 93.6 | Very high | 51 Ų | 51 | 46 Ų | 46 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | E131 E132 V133 S139 | E131-A135 VanDerWaalsContact O-CB 3.22Å; E131-A135 WeakPolarHBondContact O-CB 3.29Å; E131-A135 PolarHBondContact O-N 3.22Å; E132-A135 PolarHBondContact O-N 3.43Å; V133-A135 PolarHBondContact O-N 3.27Å; A135-S139 WeakPolarHBondContact O-CB 3.49Å; A135-S139 PolarHBondContact O-N 2.95Å; A135-S139 VanDerWaalsContact O-N 3.09Å |
| 136 | Y | 95.4 | Very high | 93.9 | Very high | 71 Ų | 71 | 41 Ų | 41 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.7 | -33.4 | 177.5 | -69.8 | -60.4 | 0 | 0 | 0 | 112.8 | V90 Q94 N97 E132 V133 F140 | V90-Y136 HydrophobicContact CG1-CD2 3.86Å; V90-Y136 HydrophobicContact CG1-CE2 3.56Å; V90-Y136 HydrophobicContact CG2-CD2 4.43Å; Q94-Y136 HydrophobicContact CG-CD1 3.9Å; Q94-Y136 HydrophobicContact CG-CD2 4.42Å; Q94-Y136 HydrophobicContact CG-CE1 3.62Å; Q94-Y136 HydrophobicContact CG-CE2 4.17Å; Q94-Y136 HydrophobicContact CG-CG 4.32Å; Q94-Y136 VanDerWaalsContact NE2-CZ 3.28Å; Q94-Y136 PolarHBondContact NE2-OH 2.76Å; N97-Y136 PolarHBondContact ND2-O 3.03Å; E132-Y136 HydrophobicContact CG-CD2 3.88Å; E132-Y136 HydrophobicContact CG-CE2 3.49Å; E132-Y136 VanDerWaalsContact CG-CE2 3.49Å; E132-Y136 WeakPolarHBondContact O-CD2 3.24Å; E132-Y136 PolarHBondContact O-N 3.25Å; V133-Y136 PolarHBondContact O-N 3.26Å; Y136-F140 PolarHBondContact O-N 2.93Å |
| 137 | Y | 96.4 | Very high | 94 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.3 | -48.2 | 176 | 175.3 | -104.2 | 0 | 0 | 0 | 112.5 | I122 F126 F128 V133 M134 S139 F140 L141 L173 | I122-Y137 PolarHBondContact O-OH 3.31Å; F126-Y137 AromaticContact CD2-CD2 3.63Å; F126-Y137 HydrophobicContact CD2-CD2 3.63Å; F126-Y137 AromaticContact CD2-CE2 3.82Å; F126-Y137 HydrophobicContact CD2-CE2 3.82Å; F126-Y137 HydrophobicContact CD2-CG 4.17Å; F126-Y137 AromaticContact CE2-CD2 3.27Å; F126-Y137 HydrophobicContact CE2-CD2 3.27Å; F126-Y137 AromaticContact CE2-CE2 3.39Å; F126-Y137 HydrophobicContact CE2-CE2 3.39Å; F126-Y137 HydrophobicContact CE2-CG 4.23Å; F126-Y137 AromaticContact CZ-CD2 3.93Å; F126-Y137 HydrophobicContact CZ-CD2 3.93Å; F126-Y137 HydrophobicContact CZ-CE2 4.33Å; F128-Y137 AromaticContact CE1-CD1 3.54Å; F128-Y137 HydrophobicContact CE1-CD1 3.54Å; F128-Y137 HydrophobicContact CE1-CE1 4.06Å; F128-Y137 AromaticContact CE1-CG 3.94Å; F128-Y137 HydrophobicContact CE1-CG 3.94Å; F128-Y137 AromaticContact CZ-CD1 3.58Å; F128-Y137 HydrophobicContact CZ-CD1 3.58Å; F128-Y137 AromaticContact CZ-CE1 3.59Å; F128-Y137 HydrophobicContact CZ-CE1 3.59Å; F128-Y137 HydrophobicContact CZ-CG 4.24Å; V133-Y137 VanDerWaalsContact O-CB 3.28Å; V133-Y137 WeakPolarHBondContact O-CB 3.47Å; V133-Y137 PolarHBondContact O-N 2.95Å; M134-Y137 HydrophobicContact CE-CD1 4.4Å; M134-Y137 PolarHBondContact O-N 2.99Å; Y137-S139 PolarHBondContact O-N 3.29Å; Y137-F140 WeakPolarHBondContact O-CA 3.41Å; Y137-F140 VanDerWaalsContact O-CB 3.29Å; Y137-F140 WeakPolarHBondContact O-CB 3.29Å; Y137-F140 PolarHBondContact O-N 3.32Å; Y137-L141 HydrophobicContact CD1-CD1 4.44Å; Y137-L141 HydrophobicContact CE1-CD1 3.68Å; Y137-L141 HydrophobicContact CE1-CG 4.14Å; Y137-L141 HydrophobicContact CE2-CD2 4.11Å; Y137-L141 HydrophobicContact CE2-CG 4.37Å; Y137-L141 PolarHBondContact O-N 3.02Å; Y137-L173 HydrophobicContact CD1-CD1 4.43Å; Y137-L173 HydrophobicContact CE1-CD1 4.08Å |
| 138 | I | 97 | Very high | 94.3 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -29.9 | 177.1 | -163.4 | 63.6 | 0 | 0 | 0 | 111.7 | M134 F140 L141 K142 L173 V181 A184 V185 I188 | M134-I138 HydrophobicContact CE-CB 3.74Å; M134-I138 HydrophobicContact CE-CG1 4.49Å; M134-I138 HydrophobicContact CE-CG2 4.23Å; M134-I138 WeakPolarHBondContact O-CG2 3.02Å; M134-I138 PolarHBondContact O-N 3.17Å; I138-F140 VanDerWaalsContact C-N 3.34Å; I138-L141 HydrophobicContact CD1-CD1 4.29Å; I138-K142 VanDerWaalsContact O-CB 3.28Å; I138-K142 WeakPolarHBondContact O-CB 3.25Å; I138-K142 PolarHBondContact O-N 3.28Å; I138-L173 HydrophobicContact CD1-CD1 4.16Å; I138-V181 HydrophobicContact CG1-CG1 4.33Å; I138-V181 HydrophobicContact CG2-CG2 4.34Å; I138-A184 HydrophobicContact CG1-CB 3.55Å; I138-A184 HydrophobicContact CG2-CB 4.27Å; I138-V185 HydrophobicContact CD1-CG2 3.76Å; I138-V185 HydrophobicContact CG1-CG2 4.45Å; I138-I188 HydrophobicContact CD1-CD1 3.64Å; I138-I188 HydrophobicContact CG1-CD1 4.34Å |
| 139 | S | 96.4 | Very high | 94.3 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 23% | 0.231 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -36.4 | 170 | -163.2 | 0 | 0 | 0 | 0 | 112.3 | A135 Y137 K142 I143 | A135-S139 WeakPolarHBondContact O-CB 3.49Å; A135-S139 PolarHBondContact O-N 2.95Å; A135-S139 VanDerWaalsContact O-N 3.09Å; Y137-S139 PolarHBondContact O-N 3.29Å; S139-K142 PolarHBondContact O-N 2.86Å; S139-I143 WeakPolarHBondContact O-CB 3.18Å; S139-I143 WeakPolarHBondContact O-CD1 3.48Å; S139-I143 VanDerWaalsContact O-CG1 3.24Å; S139-I143 WeakPolarHBondContact O-CG1 3.37Å; S139-I143 PolarHBondContact O-N 3.15Å |
| 140 | F | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -51.9 | 173.8 | -180 | -114.2 | 0 | 0 | 0 | 111.7 | L96 N97 F100 I121 I122 Y136 Y137 I138 K142 I143 L144 | L96-F140 HydrophobicContact CB-CD2 4.06Å; L96-F140 HydrophobicContact CB-CE2 3.88Å; N97-F140 WeakPolarHBondContact OD1-CA 3.28Å; N97-F140 WeakPolarHBondContact OD1-CB 3.35Å; N97-F140 PolarHBondContact OD1-N 3.49Å; F100-F140 AromaticContact CD2-CE2 3.79Å; F100-F140 HydrophobicContact CD2-CE2 3.79Å; F100-F140 HydrophobicContact CE2-CE2 4.03Å; F100-F140 HydrophobicContact CE2-CZ 4.44Å; I121-F140 HydrophobicContact CB-CE1 4.19Å; I121-F140 HydrophobicContact CB-CZ 4.39Å; I121-F140 HydrophobicContact CG2-CD1 4.15Å; I121-F140 HydrophobicContact CG2-CE1 3.4Å; I121-F140 VanDerWaalsContact CG2-CE1 3.4Å; I121-F140 HydrophobicContact CG2-CZ 3.75Å; I122-F140 HydrophobicContact CG1-CE1 4.16Å; Y136-F140 PolarHBondContact O-N 2.93Å; Y137-F140 WeakPolarHBondContact O-CA 3.41Å; Y137-F140 VanDerWaalsContact O-CB 3.29Å; Y137-F140 WeakPolarHBondContact O-CB 3.29Å; Y137-F140 PolarHBondContact O-N 3.32Å; I138-F140 VanDerWaalsContact C-N 3.34Å; F140-K142 VanDerWaalsContact C-N 3.26Å; F140-K142 PolarHBondContact O-N 3.37Å; F140-I143 PolarHBondContact O-N 3.48Å; F140-L144 HydrophobicContact CD1-CD1 4.01Å; F140-L144 HydrophobicContact CE1-CD1 3.52Å; F140-L144 HydrophobicContact CE1-CG 4.45Å; F140-L144 HydrophobicContact CE2-CD1 4.09Å; F140-L144 HydrophobicContact CE2-CD2 4.33Å; F140-L144 HydrophobicContact CE2-CG 4.21Å; F140-L144 HydrophobicContact CG-CD1 4.49Å; F140-L144 HydrophobicContact CZ-CD1 3.58Å; F140-L144 HydrophobicContact CZ-CD2 4.4Å; F140-L144 HydrophobicContact CZ-CG 4.2Å; F140-L144 WeakPolarHBondContact O-CG 3.48Å; F140-L144 PolarHBondContact O-N 3.07Å |
| 141 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.2 | -39.7 | 176.1 | -57.8 | -168.5 | 0 | 0 | 0 | 111.6 | I122 Y137 I138 L144 S145 L166 A170 I188 | I122-L141 HydrophobicContact CB-CD2 4.33Å; I122-L141 HydrophobicContact CG1-CD2 3.87Å; I122-L141 HydrophobicContact CG2-CD2 3.96Å; Y137-L141 HydrophobicContact CD1-CD1 4.44Å; Y137-L141 HydrophobicContact CE1-CD1 3.68Å; Y137-L141 HydrophobicContact CE1-CG 4.14Å; Y137-L141 HydrophobicContact CE2-CD2 4.11Å; Y137-L141 HydrophobicContact CE2-CG 4.37Å; Y137-L141 PolarHBondContact O-N 3.02Å; I138-L141 HydrophobicContact CD1-CD1 4.29Å; L141-L144 PolarHBondContact O-N 3.37Å; L141-S145 WeakPolarHBondContact O-CB 3.27Å; L141-S145 PolarHBondContact O-N 3.49Å; L141-L166 HydrophobicContact CB-CD1 4.05Å; L141-L166 HydrophobicContact CD2-CD1 3.93Å; L141-A170 HydrophobicContact CD1-CB 4.17Å; L141-I188 HydrophobicContact CB-CD1 3.64Å |
| 142 | K | 97.5 | Very high | 94.4 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.2 | -172.1 | -170.8 | 69.1 | -175.4 | 0 | 112.3 | I138 S139 F140 L144 S145 F146 A184 T187 I188 | I138-K142 VanDerWaalsContact O-CB 3.28Å; I138-K142 WeakPolarHBondContact O-CB 3.25Å; I138-K142 PolarHBondContact O-N 3.28Å; S139-K142 PolarHBondContact O-N 2.86Å; F140-K142 VanDerWaalsContact C-N 3.26Å; F140-K142 PolarHBondContact O-N 3.37Å; K142-L144 PolarHBondContact O-N 3.4Å; K142-S145 WeakPolarHBondContact O-CB 3.19Å; K142-S145 PolarHBondContact O-N 2.8Å; K142-S145 PolarHBondContact O-OG 2.82Å; K142-F146 HydrophobicContact CD-CE2 4.17Å; K142-F146 HydrophobicContact CG-CD2 4.3Å; K142-F146 HydrophobicContact CG-CE2 3.76Å; K142-F146 HydrophobicContact CG-CZ 4.47Å; K142-F146 VanDerWaalsContact O-CD2 3.29Å; K142-F146 WeakPolarHBondContact O-CD2 3.43Å; K142-F146 PolarHBondContact O-N 3.03Å; K142-F146 VanDerWaalsContact O-N 3.17Å; K142-A184 HydrophobicContact CD-CB 4.39Å; K142-T187 HydrophobicContact CG-CG2 4.24Å; K142-I188 HydrophobicContact CB-CD1 4.26Å; K142-I188 HydrophobicContact CB-CG1 4.15Å |
| 143 | I | 96.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.046 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 177.1 | -72.1 | 161.5 | 0 | 0 | 0 | 110.6 | N97 F100 E101 S139 F140 S145 F146 R147 | N97-I143 HydrophobicContact CB-CD1 3.67Å; F100-I143 HydrophobicContact CB-CG2 3.75Å; E101-I143 HydrophobicContact CB-CD1 4.26Å; E101-I143 HydrophobicContact CB-CG2 4.18Å; S139-I143 WeakPolarHBondContact O-CB 3.18Å; S139-I143 WeakPolarHBondContact O-CD1 3.48Å; S139-I143 VanDerWaalsContact O-CG1 3.24Å; S139-I143 WeakPolarHBondContact O-CG1 3.37Å; S139-I143 PolarHBondContact O-N 3.15Å; F140-I143 PolarHBondContact O-N 3.48Å; I143-S145 VanDerWaalsContact C-N 3.34Å; I143-S145 PolarHBondContact O-N 3.05Å; I143-F146 PolarHBondContact O-N 3.38Å; I143-R147 PolarHBondContact O-N 3.29Å |
| 144 | L | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 174.2 | -65.8 | 177.5 | 0 | 0 | 0 | 112 | F100 L113 T118 I122 F140 L141 K142 F146 R147 L148 F156 L166 | F100-L144 HydrophobicContact CD1-CD2 3.85Å; F100-L144 HydrophobicContact CD2-CD2 4.39Å; F100-L144 HydrophobicContact CE1-CD2 4.07Å; F100-L144 HydrophobicContact CG-CD2 4.01Å; F100-L144 HydrophobicContact CZ-CD2 4.42Å; L113-L144 HydrophobicContact CD2-CD2 4.35Å; T118-L144 HydrophobicContact CG2-CD1 4.01Å; T118-L144 HydrophobicContact CG2-CD2 4.1Å; I122-L144 HydrophobicContact CD1-CD1 3.85Å; I122-L144 HydrophobicContact CG1-CD1 3.98Å; F140-L144 HydrophobicContact CD1-CD1 4.01Å; F140-L144 HydrophobicContact CE1-CD1 3.52Å; F140-L144 HydrophobicContact CE1-CG 4.45Å; F140-L144 HydrophobicContact CE2-CD1 4.09Å; F140-L144 HydrophobicContact CE2-CD2 4.33Å; F140-L144 HydrophobicContact CE2-CG 4.21Å; F140-L144 HydrophobicContact CG-CD1 4.49Å; F140-L144 HydrophobicContact CZ-CD1 3.58Å; F140-L144 HydrophobicContact CZ-CD2 4.4Å; F140-L144 HydrophobicContact CZ-CG 4.2Å; F140-L144 WeakPolarHBondContact O-CG 3.48Å; F140-L144 PolarHBondContact O-N 3.07Å; L141-L144 PolarHBondContact O-N 3.37Å; K142-L144 PolarHBondContact O-N 3.4Å; L144-F146 VanDerWaalsContact C-N 3.26Å; L144-F146 PolarHBondContact O-N 3.35Å; L144-R147 WeakPolarHBondContact O-CA 3.32Å; L144-R147 WeakPolarHBondContact O-CB 3.49Å; L144-R147 PolarHBondContact O-N 2.97Å; L144-L148 PolarHBondContact O-N 3.17Å; L144-F156 HydrophobicContact CB-CE1 4.38Å; L144-F156 HydrophobicContact CB-CZ 4.23Å; L144-F156 HydrophobicContact CD1-CE1 4.09Å; L144-F156 HydrophobicContact CD2-CE1 4.41Å; L144-F156 HydrophobicContact CD2-CZ 4.16Å; L144-L166 HydrophobicContact CB-CD1 3.99Å; L144-L166 HydrophobicContact CB-CD2 4.09Å; L144-L166 HydrophobicContact CD1-CD1 4.26Å |
| 145 | S | 96.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -32.7 | 177.3 | 81.9 | 0 | 0 | 0 | 0 | 113.2 | L141 K142 I143 R147 L148 N191 | L141-S145 WeakPolarHBondContact O-CB 3.27Å; L141-S145 PolarHBondContact O-N 3.49Å; K142-S145 WeakPolarHBondContact O-CB 3.19Å; K142-S145 PolarHBondContact O-N 2.8Å; K142-S145 PolarHBondContact O-OG 2.82Å; I143-S145 VanDerWaalsContact C-N 3.34Å; I143-S145 PolarHBondContact O-N 3.05Å; S145-R147 VanDerWaalsContact C-N 3.28Å; S145-R147 PolarHBondContact O-N 3.45Å; S145-L148 WeakPolarHBondContact O-CB 3.47Å; S145-L148 PolarHBondContact O-N 3.17Å; S145-N191 PolarHBondContact OG-ND2 2.85Å |
| 146 | F | 95 | Very high | 94.2 | Very high | 123 Ų | 123 | 37.7 Ų | 37.7 | 54% | 0.539 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -74.8 | -13.8 | 173.9 | -70.6 | -56.3 | 0 | 0 | 0 | 113.8 | K142 I143 L144 T187 N191 | K142-F146 HydrophobicContact CD-CE2 4.17Å; K142-F146 HydrophobicContact CG-CD2 4.3Å; K142-F146 HydrophobicContact CG-CE2 3.76Å; K142-F146 HydrophobicContact CG-CZ 4.47Å; K142-F146 VanDerWaalsContact O-CD2 3.29Å; K142-F146 WeakPolarHBondContact O-CD2 3.43Å; K142-F146 PolarHBondContact O-N 3.03Å; K142-F146 VanDerWaalsContact O-N 3.17Å; I143-F146 PolarHBondContact O-N 3.38Å; L144-F146 VanDerWaalsContact C-N 3.26Å; L144-F146 PolarHBondContact O-N 3.35Å; F146-T187 HydrophobicContact CE1-CG2 4.19Å; F146-T187 HydrophobicContact CE2-CG2 4.43Å; F146-T187 HydrophobicContact CZ-CG2 3.69Å; F146-N191 WeakPolarHBondContact CD1-ND2 3.35Å; F146-N191 WeakPolarHBondContact CE1-ND2 3.44Å |
| 147 | R | 91.8 | Very high | 94.1 | Very high | 63 Ų | 63 | 34.8 Ų | 34.8 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -91.1 | -6.1 | 172 | -58.8 | -56.2 | -168.5 | 152.4 | 6.6 | 113 | F100 E101 I103 I143 L144 S145 N149 T152 | F100-R147 VanDerWaalsContact O-CZ 3.27Å; F100-R147 PolarHBondContact O-NE 3.45Å; F100-R147 PolarHBondContact O-NH2 2.89Å; E101-R147 PolarHBondContact O-NH2 3.45Å; I103-R147 PolarHBondContact O-NH1 3.19Å; I103-R147 PolarHBondContact O-NH2 2.67Å; I143-R147 PolarHBondContact O-N 3.29Å; L144-R147 WeakPolarHBondContact O-CA 3.32Å; L144-R147 WeakPolarHBondContact O-CB 3.49Å; L144-R147 PolarHBondContact O-N 2.97Å; S145-R147 VanDerWaalsContact C-N 3.28Å; S145-R147 PolarHBondContact O-N 3.45Å; R147-N149 PolarHBondContact O-ND2 3.46Å; R147-T152 PolarHBondContact O-OG1 3.25Å |
| 148 | L | 93.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.089 | 19% | 0.193 | C | C | . | . | trans | -68.8 | 131 | 175.1 | -65.2 | 175.1 | 0 | 0 | 0 | 111.6 | L144 S145 T152 I153 F156 L166 V192 V195 | L144-L148 PolarHBondContact O-N 3.17Å; S145-L148 WeakPolarHBondContact O-CB 3.47Å; S145-L148 PolarHBondContact O-N 3.17Å; L148-T152 WeakPolarHBondContact CA-OG1 3.24Å; L148-I153 HydrophobicContact CD2-CB 4.49Å; L148-F156 HydrophobicContact CD2-CD2 3.32Å; L148-F156 HydrophobicContact CD2-CE2 3.6Å; L148-F156 HydrophobicContact CD2-CG 4.16Å; L148-L166 HydrophobicContact CD1-CD2 3.93Å; L148-L166 HydrophobicContact CD2-CD2 4.04Å; L148-L166 HydrophobicContact CG-CD2 4.16Å; L148-V192 HydrophobicContact CD1-CB 4.42Å; L148-V192 HydrophobicContact CD1-CG2 3.49Å; L148-V192 VanDerWaalsContact CD1-CG2 3.49Å; L148-V195 HydrophobicContact CB-CG2 3.93Å | ||
| 149 | N | 91.2 | Very high | 93.4 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 35% | 0.348 | 22% | 0.219 | S | C | . | . | trans | -155.3 | 177 | 168.4 | 63.8 | 81.9 | 0 | 0 | 0 | 108.2 | R147 N151 T152 I153 | R147-N149 PolarHBondContact O-ND2 3.46Å; N149-N151 PolarHBondContact O-N 3.05Å; N149-N151 WeakPolarHBondContact OD1-CB 3.25Å; N149-N151 PolarHBondContact OD1-N 3.39Å; N149-T152 PolarHBondContact N-OG1 3.3Å; N149-T152 WeakPolarHBondContact ND2-CG2 3.24Å; N149-T152 PolarHBondContact ND2-OG1 3.03Å; N149-T152 PolarHBondContact O-N 3.27Å; N149-T152 PolarHBondContact O-OG1 3.25Å; N149-I153 PolarHBondContact O-N 3.27Å | ||
| 150 | V | 89.7 | Confident | 93 | Very high | 90 Ų | 90 | 46.6 Ų | 46.6 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.3 | -176.7 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | V195 | V150-V195 HydrophobicContact CG2-CG1 4.39Š|
| 151 | N | 89.7 | Confident | 92.6 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10.3 | -179.6 | -53.2 | -22 | 0 | 0 | 0 | 113.9 | Y110 N149 | Y110-N151 HydrophobicContact CE1-CB 4.49Å; Y110-N151 WeakPolarHBondContact OH-CB 3.46Å; N149-N151 PolarHBondContact O-N 3.05Å; N149-N151 WeakPolarHBondContact OD1-CB 3.25Å; N149-N151 PolarHBondContact OD1-N 3.39Å |
| 152 | T | 93 | Very high | 92.2 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -15.7 | -175.7 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | Y110 L113 R147 L148 N149 S154 F155 | Y110-T152 HydrophobicContact CD1-CG2 4.44Å; Y110-T152 HydrophobicContact CE1-CG2 3.81Å; L113-T152 HydrophobicContact CD1-CG2 4.3Å; R147-T152 PolarHBondContact O-OG1 3.25Å; L148-T152 WeakPolarHBondContact CA-OG1 3.24Å; N149-T152 PolarHBondContact N-OG1 3.3Å; N149-T152 WeakPolarHBondContact ND2-CG2 3.24Å; N149-T152 PolarHBondContact ND2-OG1 3.03Å; N149-T152 PolarHBondContact O-N 3.27Å; N149-T152 PolarHBondContact O-OG1 3.25Å; T152-S154 PolarHBondContact O-N 3.06Å; T152-F155 HydrophobicContact CG2-CE2 4.46Å; T152-F155 VanDerWaalsContact O-CD2 3.3Å; T152-F155 WeakPolarHBondContact O-CD2 3.33Å; T152-F155 PolarHBondContact O-N 3.07Å |
| 153 | I | 93.7 | Very high | 92 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -61.2 | -31.4 | 179.4 | -170.1 | 159.7 | 0 | 0 | 0 | 112.7 | L148 N149 F155 F156 Y157 F164 V195 D197 A200 | L148-I153 HydrophobicContact CD2-CB 4.49Å; N149-I153 PolarHBondContact O-N 3.27Å; I153-F155 PolarHBondContact O-N 3.38Å; I153-F155 VanDerWaalsContact O-N 3.16Å; I153-F156 PolarHBondContact O-N 2.9Å; I153-Y157 PolarHBondContact O-N 2.97Å; I153-F164 HydrophobicContact CD1-CE1 4.21Å; I153-F164 HydrophobicContact CD1-CZ 3.95Å; I153-F164 HydrophobicContact CG1-CE1 4.47Å; I153-F164 HydrophobicContact CG1-CZ 3.95Å; I153-V195 HydrophobicContact CB-CG1 4.23Å; I153-V195 HydrophobicContact CD1-CB 4.02Å; I153-V195 HydrophobicContact CD1-CG1 3.77Å; I153-V195 HydrophobicContact CG2-CG1 4.19Å; I153-D197 HydrophobicContact CD1-CB 4.21Å; I153-D197 HydrophobicContact CG2-CB 3.97Å; I153-A200 HydrophobicContact CD1-CB 3.64Å; I153-A200 HydrophobicContact CG1-CB 4.21Å |
| 154 | S | 90.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -66.9 | -8.1 | 177.2 | 53.8 | 0 | 0 | 0 | 0 | 115.6 | T152 | T152-S154 PolarHBondContact O-N 3.06Š|
| 155 | F | 91.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -84.7 | -20.7 | 168.3 | -57.6 | -61.9 | 0 | 0 | 0 | 113 | Y110 L113 N119 T152 I153 | Y110-F155 AromaticContact CD1-CE2 3.57Å; Y110-F155 HydrophobicContact CD1-CE2 3.57Å; Y110-F155 AromaticContact CD1-CZ 3.82Å; Y110-F155 HydrophobicContact CD1-CZ 3.82Å; Y110-F155 AromaticContact CE1-CE2 3.95Å; Y110-F155 HydrophobicContact CE1-CE2 3.95Å; Y110-F155 HydrophobicContact CE1-CZ 4.41Å; L113-F155 HydrophobicContact CB-CB 3.95Å; L113-F155 HydrophobicContact CB-CD2 3.78Å; L113-F155 HydrophobicContact CB-CG 3.85Å; L113-F155 HydrophobicContact CD1-CD2 4.25Å; N119-F155 PolarHBondContact ND2-O 2.93Å; T152-F155 HydrophobicContact CG2-CE2 4.46Å; T152-F155 VanDerWaalsContact O-CD2 3.3Å; T152-F155 WeakPolarHBondContact O-CD2 3.33Å; T152-F155 PolarHBondContact O-N 3.07Å; I153-F155 PolarHBondContact O-N 3.38Å; I153-F155 VanDerWaalsContact O-N 3.16Å |
| 156 | F | 93.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -29.4 | -178.3 | -59.1 | -81 | 0 | 0 | 0 | 112.8 | L113 T118 N119 I122 L144 L148 I153 F164 L166 | L113-F156 HydrophobicContact CD1-CE2 4Å; L113-F156 HydrophobicContact CD1-CZ 4.24Å; L113-F156 HydrophobicContact CD2-CE1 4.22Å; L113-F156 HydrophobicContact CD2-CE2 4.05Å; L113-F156 HydrophobicContact CD2-CZ 3.46Å; L113-F156 VanDerWaalsContact CD2-CZ 3.46Å; L113-F156 HydrophobicContact CG-CZ 4.42Å; T118-F156 HydrophobicContact CG2-CE1 3.89Å; T118-F156 HydrophobicContact CG2-CZ 4.49Å; N119-F156 WeakPolarHBondContact OD1-CD1 3.17Å; I122-F156 HydrophobicContact CD1-CD1 3.89Å; I122-F156 HydrophobicContact CD1-CE1 3.95Å; L144-F156 HydrophobicContact CB-CE1 4.38Å; L144-F156 HydrophobicContact CB-CZ 4.23Å; L144-F156 HydrophobicContact CD1-CE1 4.09Å; L144-F156 HydrophobicContact CD2-CE1 4.41Å; L144-F156 HydrophobicContact CD2-CZ 4.16Å; L148-F156 HydrophobicContact CD2-CD2 3.32Å; L148-F156 HydrophobicContact CD2-CE2 3.6Å; L148-F156 HydrophobicContact CD2-CG 4.16Å; I153-F156 PolarHBondContact O-N 2.9Å; F156-F164 HydrophobicContact CB-CD2 4.05Å; F156-F164 HydrophobicContact CB-CE2 3.73Å; F156-F164 WeakPolarHBondContact O-CA 3.4Å; F156-F164 WeakPolarHBondContact O-CD2 3.39Å; F156-L166 HydrophobicContact CB-CB 4.32Å; F156-L166 HydrophobicContact CB-CD2 4.42Å; F156-L166 HydrophobicContact CD1-CB 4.03Å; F156-L166 HydrophobicContact CD1-CD2 3.75Å; F156-L166 HydrophobicContact CD1-CG 4.48Å; F156-L166 HydrophobicContact CD2-CD2 4.26Å; F156-L166 HydrophobicContact CE1-CD2 3.91Å; F156-L166 HydrophobicContact CE2-CD2 4.39Å; F156-L166 HydrophobicContact CG-CB 4.41Å; F156-L166 HydrophobicContact CG-CD2 3.9Å; F156-L166 HydrophobicContact CZ-CD2 4.2Å |
| 157 | Y | 94.1 | Very high | 92 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | trans | -102.6 | 114.1 | 172.8 | 176.2 | -122.3 | 0 | 0 | 0 | 110.7 | I153 E159 E163 F164 A199 A200 F203 | I153-Y157 PolarHBondContact O-N 2.97Å; Y157-E159 HydrophobicContact CE1-CB 3.86Å; Y157-E159 HydrophobicContact CE1-CG 4.22Å; Y157-E163 WeakPolarHBondContact CA-O 3.49Å; Y157-E163 WeakPolarHBondContact CD2-O 3.23Å; Y157-F164 HydrophobicContact CD2-CB 3.92Å; Y157-F164 HydrophobicContact CD2-CD1 4.26Å; Y157-F164 HydrophobicContact CD2-CG 4.22Å; Y157-F164 HydrophobicContact CG-CD1 4.41Å; Y157-A199 HydrophobicContact CE1-CB 3.74Å; Y157-A199 WeakPolarHBondContact CE1-O 3.5Å; Y157-A199 PolarHBondContact OH-O 2.64Å; Y157-A200 HydrophobicContact CD1-CB 3.78Å; Y157-A200 HydrophobicContact CE1-CB 4.31Å; Y157-A200 HydrophobicContact CG-CB 4.06Å; Y157-F203 HydrophobicContact CD2-CB 4.45Å; Y157-F203 HydrophobicContact CD2-CD1 4.49Å; Y157-F203 HydrophobicContact CD2-CG 4.4Å; Y157-F203 HydrophobicContact CE2-CB 3.54Å; Y157-F203 HydrophobicContact CE2-CD1 4.25Å; Y157-F203 HydrophobicContact CE2-CD2 4.21Å; Y157-F203 AromaticContact CE2-CG 3.73Å; Y157-F203 HydrophobicContact CE2-CG 3.73Å | ||
| 158 | I | 90.7 | Very high | 92.2 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -100.9 | 90.7 | 178.5 | -54 | 178.8 | 0 | 0 | 0 | 108.5 | S160 R161 R162 E163 | I158-S160 VanDerWaalsContact C-N 3.29Å; I158-S160 PolarHBondContact O-N 3.49Å; I158-R161 HydrophobicContact CB-CB 4.43Å; I158-R161 HydrophobicContact CG2-CB 4.04Å; I158-R161 HydrophobicContact CG2-CG 3.89Å; I158-R161 PolarHBondContact O-N 3.14Å; I158-R162 PolarHBondContact O-N 3.23Å; I158-E163 PolarHBondContact N-O 2.77Å; I158-E163 PolarHBondContact O-N 2.83Å |
| 159 | E | 87.2 | Confident | 92.4 | Very high | 126 Ų | 126 | 50.8 Ų | 50.8 | 59% | 0.589 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -44.1 | -175.9 | -172.9 | -172.3 | -176.2 | 0 | 0 | 113.3 | Y157 R161 R162 A199 | Y157-E159 HydrophobicContact CE1-CB 3.86Å; Y157-E159 HydrophobicContact CE1-CG 4.22Å; E159-R161 PolarHBondContact O-N 3.13Å; E159-R161 VanDerWaalsContact O-N 3.09Å; E159-R162 PolarHBondContact O-N 3.43Å; E159-A199 HydrophobicContact CG-CB 4.41Å |
| 160 | S | 87.9 | Confident | 92.7 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 80% | 0.797 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -11.6 | -179.1 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | I158 | I158-S160 VanDerWaalsContact C-N 3.29Å; I158-S160 PolarHBondContact O-N 3.49Å |
| 161 | R | 87.8 | Confident | 93.1 | Very high | 170 Ų | 170 | 43.4 Ų | 43.4 | 64% | 0.642 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -16.4 | 177.5 | -63.3 | -168.5 | 168.9 | -148.1 | -5.3 | 114.1 | I158 E159 E163 | I158-R161 HydrophobicContact CB-CB 4.43Å; I158-R161 HydrophobicContact CG2-CB 4.04Å; I158-R161 HydrophobicContact CG2-CG 3.89Å; I158-R161 PolarHBondContact O-N 3.14Å; E159-R161 PolarHBondContact O-N 3.13Å; E159-R161 VanDerWaalsContact O-N 3.09Å; R161-E163 HydrophobicContact CB-CB 4.28Å; R161-E163 HydrophobicContact CB-CG 3.84Å; R161-E163 WeakPolarHBondContact CD-OE2 3.24Å; R161-E163 IonicContact NH1-OE2 3.52Å; R161-E163 PolarHBondContact NH1-OE2 3.28Å |
| 162 | R | 90.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 15% | 0.151 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 50.1 | -169.4 | -62.5 | -172.4 | 163.6 | -105 | -30.5 | 111.6 | I158 E159 E202 F203 | I158-R162 PolarHBondContact O-N 3.23Å; E159-R162 PolarHBondContact O-N 3.43Å; R162-E202 IonicContact CZ-OE2 2.74Å; R162-E202 VanDerWaalsContact CZ-OE2 3.25Å; R162-E202 IonicContact NH1-OE2 2.75Å; R162-E202 PolarHBondContact NH1-OE2 3.02Å; R162-E202 IonicContact NH2-OE2 3.85Å; R162-E202 PolarHBondContact NH2-OE2 3.23Å; R162-F203 HydrophobicContact CB-CD2 4.01Å; R162-F203 HydrophobicContact CB-CE2 4.4Å; R162-F203 VanDerWaalsContact O-CE2 3.24Å; R162-F203 WeakPolarHBondContact O-CE2 3.19Å |
| 163 | E | 91.6 | Very high | 93.5 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -116.1 | 126 | 177.6 | -67.9 | 176.9 | 154.1 | 0 | 0 | 108.6 | Y157 I158 R161 | Y157-E163 WeakPolarHBondContact CA-O 3.49Å; Y157-E163 WeakPolarHBondContact CD2-O 3.23Å; I158-E163 PolarHBondContact N-O 2.77Å; I158-E163 PolarHBondContact O-N 2.83Å; R161-E163 HydrophobicContact CB-CB 4.28Å; R161-E163 HydrophobicContact CB-CG 3.84Å; R161-E163 WeakPolarHBondContact CD-OE2 3.24Å; R161-E163 IonicContact NH1-OE2 3.52Å; R161-E163 PolarHBondContact NH1-OE2 3.28Å |
| 164 | F | 95.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | trans | -138.6 | 63.6 | 177.4 | -162 | 173 | 0 | 0 | 0 | 110.4 | I153 F156 Y157 L166 Y167 V168 V192 A200 F203 I204 | I153-F164 HydrophobicContact CD1-CE1 4.21Å; I153-F164 HydrophobicContact CD1-CZ 3.95Å; I153-F164 HydrophobicContact CG1-CE1 4.47Å; I153-F164 HydrophobicContact CG1-CZ 3.95Å; F156-F164 HydrophobicContact CB-CD2 4.05Å; F156-F164 HydrophobicContact CB-CE2 3.73Å; F156-F164 WeakPolarHBondContact O-CA 3.4Å; F156-F164 WeakPolarHBondContact O-CD2 3.39Å; Y157-F164 HydrophobicContact CD2-CB 3.92Å; Y157-F164 HydrophobicContact CD2-CD1 4.26Å; Y157-F164 HydrophobicContact CD2-CG 4.22Å; Y157-F164 HydrophobicContact CG-CD1 4.41Å; F164-L166 VanDerWaalsContact C-N 3.26Å; F164-L166 HydrophobicContact CD2-CB 4.4Å; F164-L166 HydrophobicContact CE2-CB 4.25Å; F164-L166 PolarHBondContact O-N 3.06Å; F164-L166 VanDerWaalsContact O-N 3.14Å; F164-Y167 PolarHBondContact O-N 3.48Å; F164-V168 PolarHBondContact O-N 3.44Å; F164-V192 HydrophobicContact CE1-CG1 3.56Å; F164-V192 HydrophobicContact CZ-CG1 3.68Å; F164-V192 HydrophobicContact CZ-CG2 4.25Å; F164-A200 HydrophobicContact CD1-CB 4.47Å; F164-A200 HydrophobicContact CE1-CB 4.04Å; F164-F203 HydrophobicContact CB-CD1 3.88Å; F164-F203 HydrophobicContact CB-CE1 3.48Å; F164-F203 VanDerWaalsContact CB-CE1 3.48Å; F164-F203 HydrophobicContact CB-CZ 4.09Å; F164-F203 HydrophobicContact CD1-CD1 4.07Å; F164-F203 HydrophobicContact CD1-CE1 4.25Å; F164-F203 HydrophobicContact CG-CE1 4.38Å; F164-I204 HydrophobicContact CD1-CD1 4.42Å; F164-I204 HydrophobicContact CE1-CD1 4.17Å | ||
| 165 | D | 94.3 | Very high | 93.7 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -36.7 | -165.3 | -56.1 | -30.4 | 0 | 0 | 0 | 113.4 | I122 T123 Y167 V168 E169 | I122-D165 HydrophobicContact CG2-CB 3.95Å; T123-D165 HydrophobicContact CG2-CB 3.61Å; T123-D165 VanDerWaalsContact CG2-OD2 3.27Å; T123-D165 WeakPolarHBondContact CG2-OD2 3.44Å; D165-Y167 VanDerWaalsContact C-N 3.26Å; D165-Y167 PolarHBondContact O-N 3.44Å; D165-V168 PolarHBondContact O-N 3.44Å; D165-E169 WeakPolarHBondContact O-CB 3.07Å; D165-E169 WeakPolarHBondContact O-CG 3.35Å; D165-E169 PolarHBondContact O-N 3.15Å |
| 166 | L | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.9 | -37.3 | 176.8 | 178.3 | 58.3 | 0 | 0 | 0 | 113 | I122 L141 L144 L148 F156 F164 A170 | I122-L166 HydrophobicContact CD1-CB 3.98Å; I122-L166 HydrophobicContact CD1-CD1 4.21Å; L141-L166 HydrophobicContact CB-CD1 4.05Å; L141-L166 HydrophobicContact CD2-CD1 3.93Å; L144-L166 HydrophobicContact CB-CD1 3.99Å; L144-L166 HydrophobicContact CB-CD2 4.09Å; L144-L166 HydrophobicContact CD1-CD1 4.26Å; L148-L166 HydrophobicContact CD1-CD2 3.93Å; L148-L166 HydrophobicContact CD2-CD2 4.04Å; L148-L166 HydrophobicContact CG-CD2 4.16Å; F156-L166 HydrophobicContact CB-CB 4.32Å; F156-L166 HydrophobicContact CB-CD2 4.42Å; F156-L166 HydrophobicContact CD1-CB 4.03Å; F156-L166 HydrophobicContact CD1-CD2 3.75Å; F156-L166 HydrophobicContact CD1-CG 4.48Å; F156-L166 HydrophobicContact CD2-CD2 4.26Å; F156-L166 HydrophobicContact CE1-CD2 3.91Å; F156-L166 HydrophobicContact CE2-CD2 4.39Å; F156-L166 HydrophobicContact CG-CB 4.41Å; F156-L166 HydrophobicContact CG-CD2 3.9Å; F156-L166 HydrophobicContact CZ-CD2 4.2Å; F164-L166 VanDerWaalsContact C-N 3.26Å; F164-L166 HydrophobicContact CD2-CB 4.4Å; F164-L166 HydrophobicContact CE2-CB 4.25Å; F164-L166 PolarHBondContact O-N 3.06Å; F164-L166 VanDerWaalsContact O-N 3.14Å; L166-A170 WeakPolarHBondContact O-CB 3.12Å |
| 167 | Y | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -84.9 | -43.1 | 177.2 | 177.4 | -97.2 | 0 | 0 | 0 | 111.2 | F164 D165 A170 I171 T189 V192 H193 I204 T208 | F164-Y167 PolarHBondContact O-N 3.48Å; D165-Y167 VanDerWaalsContact C-N 3.26Å; D165-Y167 PolarHBondContact O-N 3.44Å; Y167-A170 PolarHBondContact O-N 3.19Å; Y167-I171 HydrophobicContact CD1-CD1 4.4Å; Y167-I171 HydrophobicContact CD1-CG2 4.43Å; Y167-I171 HydrophobicContact CD2-CG2 4.37Å; Y167-I171 HydrophobicContact CE1-CD1 3.95Å; Y167-I171 HydrophobicContact CE1-CG2 4.01Å; Y167-I171 HydrophobicContact CE2-CG2 3.97Å; Y167-I171 PolarHBondContact O-N 2.99Å; Y167-T189 HydrophobicContact CD2-CG2 4.48Å; Y167-T189 HydrophobicContact CE2-CG2 3.91Å; Y167-V192 HydrophobicContact CD2-CB 3.9Å; Y167-V192 HydrophobicContact CD2-CG1 3.62Å; Y167-V192 HydrophobicContact CD2-CG2 4.09Å; Y167-V192 HydrophobicContact CE2-CG1 4.25Å; Y167-V192 HydrophobicContact CG-CG1 4.18Å; Y167-H193 AromaticContact CE2-CE1 3.99Å; Y167-H193 AromaticContact CE2-NE2 3.35Å; Y167-H193 VanDerWaalsContact CE2-NE2 3.35Å; Y167-H193 WeakPolarHBondContact CE2-NE2 3.49Å; Y167-H193 AromaticContact CZ-NE2 3.49Å; Y167-H193 PolarHBondContact OH-NE2 3.44Å; Y167-I204 HydrophobicContact CD1-CD1 4.36Å; Y167-I204 HydrophobicContact CD1-CG1 4.13Å; Y167-I204 HydrophobicContact CD2-CD1 4.25Å; Y167-I204 HydrophobicContact CE1-CD1 4.27Å; Y167-I204 HydrophobicContact CE1-CG1 3.91Å; Y167-I204 HydrophobicContact CE1-CG2 4.36Å; Y167-I204 HydrophobicContact CE2-CD1 4.13Å; Y167-I204 HydrophobicContact CG-CD1 4.34Å; Y167-T208 HydrophobicContact CD1-CG2 4.36Å; Y167-T208 HydrophobicContact CE1-CG2 3.91Å; Y167-T208 WeakPolarHBondContact CE1-OG1 3.46Å |
| 168 | V | 97.2 | Very high | 93.5 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | -176.7 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | F164 D165 A170 I171 K172 F203 | F164-V168 PolarHBondContact O-N 3.44Å; D165-V168 PolarHBondContact O-N 3.44Å; V168-A170 VanDerWaalsContact C-N 3.33Å; V168-A170 PolarHBondContact O-N 2.78Å; V168-I171 VanDerWaalsContact O-CG1 3.27Å; V168-I171 WeakPolarHBondContact O-CG1 3.36Å; V168-K172 WeakPolarHBondContact O-CG 3.37Å; V168-K172 PolarHBondContact O-N 2.81Å; V168-F203 HydrophobicContact CG2-CE1 4.27Å; V168-F203 HydrophobicContact CG2-CZ 3.9Å |
| 169 | E | 96.5 | Very high | 93.6 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.7 | -30.3 | 178.3 | -61.7 | -55.2 | 138.4 | 0 | 0 | 112 | I122 D165 K172 | I122-E169 HydrophobicContact CG2-CB 4.34Å; I122-E169 HydrophobicContact CG2-CG 4.19Å; D165-E169 WeakPolarHBondContact O-CB 3.07Å; D165-E169 WeakPolarHBondContact O-CG 3.35Å; D165-E169 PolarHBondContact O-N 3.15Å; E169-K172 WeakPolarHBondContact OE1-CE 3.28Å; E169-K172 IonicContact OE1-NZ 3.97Å; E169-K172 PolarHBondContact OE1-NZ 3.05Å; E169-K172 WeakPolarHBondContact OE2-CD 3.28Å; E169-K172 VanDerWaalsContact OE2-CE 3.3Å; E169-K172 WeakPolarHBondContact OE2-CE 3.36Å; E169-K172 IonicContact OE2-NZ 2.73Å; E169-K172 PolarHBondContact OE2-NZ 3.4Å |
| 170 | A | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L141 L166 Y167 V168 K172 L173 V185 I188 | L141-A170 HydrophobicContact CD1-CB 4.17Å; L166-A170 WeakPolarHBondContact O-CB 3.12Å; Y167-A170 PolarHBondContact O-N 3.19Å; V168-A170 VanDerWaalsContact C-N 3.33Å; V168-A170 PolarHBondContact O-N 2.78Å; A170-K172 VanDerWaalsContact C-N 3.27Å; A170-K172 PolarHBondContact O-N 2.75Å; A170-L173 PolarHBondContact O-N 3.09Å; A170-L173 VanDerWaalsContact O-N 3.13Å; A170-V185 VanDerWaalsContact O-CG1 3.27Å; A170-V185 WeakPolarHBondContact O-CG1 3.4Å; A170-V185 WeakPolarHBondContact O-CG2 3.34Å; A170-I188 HydrophobicContact CB-CB 4.26Å; A170-I188 HydrophobicContact CB-CD1 4.08Å; A170-I188 HydrophobicContact CB-CG2 3.67Å |
| 171 | I | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.9 | -24.6 | -177.2 | 60.7 | 171.1 | 0 | 0 | 0 | 113.6 | Y167 V168 L173 F174 T189 T208 Y212 L436 L440 | Y167-I171 HydrophobicContact CD1-CD1 4.4Å; Y167-I171 HydrophobicContact CD1-CG2 4.43Å; Y167-I171 HydrophobicContact CD2-CG2 4.37Å; Y167-I171 HydrophobicContact CE1-CD1 3.95Å; Y167-I171 HydrophobicContact CE1-CG2 4.01Å; Y167-I171 HydrophobicContact CE2-CG2 3.97Å; Y167-I171 PolarHBondContact O-N 2.99Å; V168-I171 VanDerWaalsContact O-CG1 3.27Å; V168-I171 WeakPolarHBondContact O-CG1 3.36Å; I171-L173 PolarHBondContact O-N 3Å; I171-F174 WeakPolarHBondContact O-CB 3.32Å; I171-F174 VanDerWaalsContact O-CD1 3.26Å; I171-F174 WeakPolarHBondContact O-CD1 3.37Å; I171-F174 PolarHBondContact O-N 2.96Å; I171-T189 HydrophobicContact CG2-CG2 3.69Å; I171-T208 HydrophobicContact CD1-CG2 4.49Å; I171-Y212 HydrophobicContact CB-CD2 3.83Å; I171-Y212 HydrophobicContact CB-CE2 4.03Å; I171-Y212 HydrophobicContact CB-CG 4.45Å; I171-Y212 HydrophobicContact CG2-CD2 4.08Å; I171-Y212 HydrophobicContact CG2-CE2 4.09Å; I171-Y212 HydrophobicContact CG2-CG 4.36Å; I171-L436 WeakPolarHBondContact O-CD2 3.5Å; I171-L440 HydrophobicContact CD1-CD1 3.87Å; I171-L440 HydrophobicContact CD1-CD2 4.02Å; I171-L440 HydrophobicContact CG1-CD1 4.34Å |
| 172 | K | 96.2 | Very high | 94.6 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 27% | 0.265 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.5 | -33 | 172.8 | -67.7 | 174.2 | -172.6 | -172.6 | 0 | 112.8 | V168 E169 A170 F174 E437 | V168-K172 WeakPolarHBondContact O-CG 3.37Å; V168-K172 PolarHBondContact O-N 2.81Å; E169-K172 WeakPolarHBondContact OE1-CE 3.28Å; E169-K172 IonicContact OE1-NZ 3.97Å; E169-K172 PolarHBondContact OE1-NZ 3.05Å; E169-K172 WeakPolarHBondContact OE2-CD 3.28Å; E169-K172 VanDerWaalsContact OE2-CE 3.3Å; E169-K172 WeakPolarHBondContact OE2-CE 3.36Å; E169-K172 IonicContact OE2-NZ 2.73Å; E169-K172 PolarHBondContact OE2-NZ 3.4Å; A170-K172 VanDerWaalsContact C-N 3.27Å; A170-K172 PolarHBondContact O-N 2.75Å; K172-F174 VanDerWaalsContact C-N 3.32Å; K172-F174 PolarHBondContact O-N 2.88Å; K172-E437 HydrophobicContact CD-CG 4.17Å; K172-E437 VanDerWaalsContact CD-OE1 3.27Å; K172-E437 WeakPolarHBondContact CD-OE1 3.44Å; K172-E437 WeakPolarHBondContact CE-OE1 3.02Å; K172-E437 HydrophobicContact CG-CG 4.23Å; K172-E437 IonicContact NZ-OE1 2.72Å; K172-E437 PolarHBondContact NZ-OE1 2.95Å |
| 173 | L | 95.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.6 | -174 | -63.7 | 163.2 | 0 | 0 | 0 | 113.2 | M134 Y137 I138 A170 I171 A175 H176 V181 V185 | M134-L173 HydrophobicContact CE-CD1 3.61Å; M134-L173 HydrophobicContact CE-CD2 3.95Å; M134-L173 HydrophobicContact CE-CG 4.31Å; M134-L173 HydrophobicContact SD-CD1 4.47Å; M134-L173 HydrophobicContact SD-CD2 4Å; Y137-L173 HydrophobicContact CD1-CD1 4.43Å; Y137-L173 HydrophobicContact CE1-CD1 4.08Å; I138-L173 HydrophobicContact CD1-CD1 4.16Å; A170-L173 PolarHBondContact O-N 3.09Å; A170-L173 VanDerWaalsContact O-N 3.13Å; I171-L173 PolarHBondContact O-N 3Å; L173-A175 PolarHBondContact O-N 3.13Å; L173-A175 VanDerWaalsContact O-N 3.13Å; L173-H176 WeakPolarHBondContact O-CB 3.37Å; L173-H176 PolarHBondContact O-N 3.45Å; L173-H176 VanDerWaalsContact O-N 3.13Å; L173-V181 HydrophobicContact CB-CG1 4.33Å; L173-V185 HydrophobicContact CB-CG2 3.8Å |
| 174 | F | 95.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 36.6 Ų | 36.6 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.3 | -171.8 | 85.6 | -71.9 | 0 | 0 | 0 | 115.3 | I171 K172 R182 V185 Y212 H215 L216 L436 | I171-F174 WeakPolarHBondContact O-CB 3.32Å; I171-F174 VanDerWaalsContact O-CD1 3.26Å; I171-F174 WeakPolarHBondContact O-CD1 3.37Å; I171-F174 PolarHBondContact O-N 2.96Å; K172-F174 VanDerWaalsContact C-N 3.32Å; K172-F174 PolarHBondContact O-N 2.88Å; F174-R182 WeakPolarHBondContact O-CG 3.45Å; F174-V185 HydrophobicContact CB-CG1 4.03Å; F174-Y212 HydrophobicContact CB-CE2 3.73Å; F174-Y212 HydrophobicContact CD1-CE2 4.43Å; F174-Y212 HydrophobicContact CD2-CE2 4.16Å; F174-Y212 AromaticContact CG-CE2 3.82Å; F174-Y212 HydrophobicContact CG-CE2 3.82Å; F174-H215 HydrophobicContact CE1-CB 4.14Å; F174-H215 HydrophobicContact CE2-CB 4.36Å; F174-H215 HydrophobicContact CZ-CB 3.68Å; F174-L216 HydrophobicContact CD2-CD1 4.4Å; F174-L436 HydrophobicContact CD1-CD2 3.71Å; F174-L436 HydrophobicContact CE1-CD2 3.7Å |
| 175 | A | 92 | Very high | 95.3 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 25 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L173 | L173-A175 PolarHBondContact O-N 3.13Å; L173-A175 VanDerWaalsContact O-N 3.13Å |
| 176 | H | 94.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 36.2 Ų | 36.2 | 13% | 0.13 | 20% | 0.198 | C | C | . | . | trans | -58.4 | 141.2 | 174.2 | -164.7 | -94.3 | 0 | 0 | 0 | 111.3 | E131 L173 E178 V181 R182 | E131-H176 IonicContact OE1-CE1 2.99Å; E131-H176 IonicContact OE2-CE1 2.94Å; L173-H176 WeakPolarHBondContact O-CB 3.37Å; L173-H176 PolarHBondContact O-N 3.45Å; L173-H176 VanDerWaalsContact O-N 3.13Å; H176-E178 VanDerWaalsContact C-N 3.34Å; H176-E178 PolarHBondContact ND1-N 3.42Å; H176-E178 PolarHBondContact O-N 3.09Å; H176-V181 HydrophobicContact CB-CB 3.86Å; H176-V181 HydrophobicContact CB-CG1 3.55Å; H176-R182 VanDerWaalsContact O-CD 3.29Å; H176-R182 WeakPolarHBondContact O-CD 3.5Å; H176-R182 VanDerWaalsContact O-CG 3.22Å; H176-R182 WeakPolarHBondContact O-CG 3.07Å; H176-R182 PolarHBondContact O-NH1 2.83Å | ||
| 177 | P | 91.1 | Very high | 95.5 | Very high | 109 Ų | 109 | 38 Ų | 38 | 71% | 0.708 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -63.7 | -33 | -177.4 | 23.9 | -35.1 | 0 | 0 | 0 | 114 | R182 | P177-R182 PolarHBondContact O-NH1 3.07Š|
| 178 | E | 91.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 38 Ų | 38 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -74.8 | 126.4 | 174.4 | 175.1 | 42.1 | -129 | 0 | 0 | 112.1 | H176 M180 V181 R182 | H176-E178 VanDerWaalsContact C-N 3.34Å; H176-E178 PolarHBondContact ND1-N 3.42Å; H176-E178 PolarHBondContact O-N 3.09Å; E178-M180 HydrophobicContact CG-CB 4.23Å; E178-M180 PolarHBondContact O-N 2.99Å; E178-M180 WeakPolarHBondContact OE1-CB 3.3Å; E178-M180 WeakPolarHBondContact OE1-CG 3.38Å; E178-M180 PolarHBondContact OE1-N 3.38Å; E178-V181 HydrophobicContact CB-CG2 4.17Å; E178-V181 HydrophobicContact CG-CG2 4.2Å; E178-V181 PolarHBondContact O-N 3.5Å; E178-R182 VanDerWaalsContact C-NH1 3.28Å; E178-R182 PolarHBondContact O-N 3.25Å; E178-R182 PolarHBondContact O-NH1 3.35Å |
| 179 | G | 91.1 | Very high | 95.6 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -36.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V181 R182 I183 | G179-V181 PolarHBondContact O-N 2.89Å; G179-R182 PolarHBondContact O-N 3.35Å; G179-R182 VanDerWaalsContact O-N 3.14Å; G179-I183 WeakPolarHBondContact O-CG1 3.3Å; G179-I183 PolarHBondContact O-N 2.97Å |
| 180 | M | 91.7 | Very high | 95.6 | Very high | 123 Ų | 123 | 36.4 Ų | 36.4 | 61% | 0.606 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.5 | -34.1 | 175.9 | -69.8 | -67.7 | 176.3 | 0 | 0 | 112.4 | E178 A184 | E178-M180 HydrophobicContact CG-CB 4.23Å; E178-M180 PolarHBondContact O-N 2.99Å; E178-M180 WeakPolarHBondContact OE1-CB 3.3Å; E178-M180 WeakPolarHBondContact OE1-CG 3.38Å; E178-M180 PolarHBondContact OE1-N 3.38Å; M180-A184 WeakPolarHBondContact O-CB 3.35Å; M180-A184 PolarHBondContact O-N 3.32Å |
| 181 | V | 96.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.6 | -45.9 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | M134 I138 L173 H176 E178 G179 I183 A184 V185 | M134-V181 HydrophobicContact CE-CG1 3.75Å; M134-V181 HydrophobicContact CE-CG2 4.33Å; M134-V181 HydrophobicContact CG-CG2 4.37Å; I138-V181 HydrophobicContact CG1-CG1 4.33Å; I138-V181 HydrophobicContact CG2-CG2 4.34Å; L173-V181 HydrophobicContact CB-CG1 4.33Å; H176-V181 HydrophobicContact CB-CB 3.86Å; H176-V181 HydrophobicContact CB-CG1 3.55Å; E178-V181 HydrophobicContact CB-CG2 4.17Å; E178-V181 HydrophobicContact CG-CG2 4.2Å; E178-V181 PolarHBondContact O-N 3.5Å; G179-V181 PolarHBondContact O-N 2.89Å; V181-I183 VanDerWaalsContact C-N 3.33Å; V181-I183 PolarHBondContact O-N 2.97Å; V181-A184 PolarHBondContact O-N 3.49Å; V181-V185 HydrophobicContact CG1-CG2 4.5Å; V181-V185 WeakPolarHBondContact O-CG2 3.5Å; V181-V185 PolarHBondContact O-N 2.75Å |
| 182 | R | 95.5 | Very high | 95.5 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 176 | -59.9 | -161.5 | -68.5 | -69.1 | 12.3 | 111.8 | F174 H176 P177 E178 G179 V185 R186 E242 | F174-R182 WeakPolarHBondContact O-CG 3.45Å; H176-R182 VanDerWaalsContact O-CD 3.29Å; H176-R182 WeakPolarHBondContact O-CD 3.5Å; H176-R182 VanDerWaalsContact O-CG 3.22Å; H176-R182 WeakPolarHBondContact O-CG 3.07Å; H176-R182 PolarHBondContact O-NH1 2.83Å; P177-R182 PolarHBondContact O-NH1 3.07Å; E178-R182 VanDerWaalsContact C-NH1 3.28Å; E178-R182 PolarHBondContact O-N 3.25Å; E178-R182 PolarHBondContact O-NH1 3.35Å; G179-R182 PolarHBondContact O-N 3.35Å; G179-R182 VanDerWaalsContact O-N 3.14Å; R182-V185 PolarHBondContact O-N 2.74Å; R182-R186 WeakPolarHBondContact O-CG 3.45Å; R182-R186 PolarHBondContact O-N 3.22Å; R182-E242 IonicContact CZ-OE1 3.15Å; R182-E242 IonicContact CZ-OE2 3.5Å; R182-E242 IonicContact NE-OE1 3.1Å; R182-E242 PolarHBondContact NE-OE1 3.17Å; R182-E242 IonicContact NH2-OE1 3.06Å; R182-E242 PolarHBondContact NH2-OE1 3.03Å; R182-E242 IonicContact NH2-OE2 3.19Å; R182-E242 PolarHBondContact NH2-OE2 3.09Å |
| 183 | I | 95.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 35.1 Ų | 35.1 | 43% | 0.431 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 176.2 | -67.2 | 164.1 | 0 | 0 | 0 | 111.5 | G179 V181 R186 T187 | G179-I183 WeakPolarHBondContact O-CG1 3.3Å; G179-I183 PolarHBondContact O-N 2.97Å; V181-I183 VanDerWaalsContact C-N 3.33Å; V181-I183 PolarHBondContact O-N 2.97Å; I183-R186 PolarHBondContact O-N 3Å; I183-T187 PolarHBondContact O-N 3.32Å; I183-T187 PolarHBondContact O-OG1 3Å |
| 184 | A | 97.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I138 K142 M180 V181 T187 I188 | I138-A184 HydrophobicContact CG1-CB 3.55Å; I138-A184 HydrophobicContact CG2-CB 4.27Å; K142-A184 HydrophobicContact CD-CB 4.39Å; M180-A184 WeakPolarHBondContact O-CB 3.35Å; M180-A184 PolarHBondContact O-N 3.32Å; V181-A184 PolarHBondContact O-N 3.49Å; A184-T187 WeakPolarHBondContact O-CB 3.4Å; A184-T187 PolarHBondContact O-N 3.01Å; A184-I188 WeakPolarHBondContact O-CD1 3.32Å; A184-I188 VanDerWaalsContact O-CG1 3.32Å; A184-I188 WeakPolarHBondContact O-CG1 3.48Å; A184-I188 PolarHBondContact O-N 3.3Å |
| 185 | V | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 172.6 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | I138 A170 L173 F174 V181 R182 T187 I188 T189 | I138-V185 HydrophobicContact CD1-CG2 3.76Å; I138-V185 HydrophobicContact CG1-CG2 4.45Å; A170-V185 VanDerWaalsContact O-CG1 3.27Å; A170-V185 WeakPolarHBondContact O-CG1 3.4Å; A170-V185 WeakPolarHBondContact O-CG2 3.34Å; L173-V185 HydrophobicContact CB-CG2 3.8Å; F174-V185 HydrophobicContact CB-CG1 4.03Å; V181-V185 HydrophobicContact CG1-CG2 4.5Å; V181-V185 WeakPolarHBondContact O-CG2 3.5Å; V181-V185 PolarHBondContact O-N 2.75Å; R182-V185 PolarHBondContact O-N 2.74Å; V185-T187 PolarHBondContact O-N 3.32Å; V185-I188 PolarHBondContact O-N 3Å; V185-I188 VanDerWaalsContact O-N 3.09Å; V185-T189 HydrophobicContact CG1-CG2 4.45Å; V185-T189 PolarHBondContact O-N 2.78Å; V185-T189 PolarHBondContact O-OG1 3.11Å |
| 186 | R | 98.1 | Very high | 95.1 | Very high | 27 Ų | 27 | 44 Ų | 44 | 10% | 0.102 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.9 | -34.5 | 175.1 | -68 | 168.7 | -170.9 | 174.6 | 3.7 | 112.3 | R182 I183 T189 L190 H246 Y249 | R182-R186 WeakPolarHBondContact O-CG 3.45Å; R182-R186 PolarHBondContact O-N 3.22Å; I183-R186 PolarHBondContact O-N 3Å; R186-T189 PolarHBondContact O-OG1 2.92Å; R186-T189 VanDerWaalsContact O-OG1 3.06Å; R186-L190 WeakPolarHBondContact O-CB 3.3Å; R186-L190 WeakPolarHBondContact O-CD1 3.37Å; R186-L190 VanDerWaalsContact O-CG 3.28Å; R186-L190 WeakPolarHBondContact O-CG 3.38Å; R186-L190 PolarHBondContact O-N 3.41Å; R186-H246 PolarHBondContact NH2-CE1 3.45Å; R186-H246 VanDerWaalsContact NH2-CE1 3.34Å; R186-H246 PolarHBondContact NH2-NE2 3.04Å; R186-Y249 HydrophobicContact CB-CD2 3.66Å; R186-Y249 HydrophobicContact CB-CE2 3.68Å; R186-Y249 HydrophobicContact CB-CG 4.2Å; R186-Y249 HydrophobicContact CG-CD1 3.86Å; R186-Y249 HydrophobicContact CG-CD2 3.69Å; R186-Y249 HydrophobicContact CG-CE1 3.93Å; R186-Y249 HydrophobicContact CG-CE2 3.79Å; R186-Y249 HydrophobicContact CG-CG 3.72Å |
| 187 | T | 98 | Very high | 95 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 23% | 0.233 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 174.8 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | K142 F146 I183 A184 V185 N191 | K142-T187 HydrophobicContact CG-CG2 4.24Å; F146-T187 HydrophobicContact CE1-CG2 4.19Å; F146-T187 HydrophobicContact CE2-CG2 4.43Å; F146-T187 HydrophobicContact CZ-CG2 3.69Å; I183-T187 PolarHBondContact O-N 3.32Å; I183-T187 PolarHBondContact O-OG1 3Å; A184-T187 WeakPolarHBondContact O-CB 3.4Å; A184-T187 PolarHBondContact O-N 3.01Å; V185-T187 PolarHBondContact O-N 3.32Å; T187-N191 WeakPolarHBondContact O-CB 3.36Å; T187-N191 VanDerWaalsContact O-CG 3.29Å; T187-N191 PolarHBondContact O-N 2.88Å; T187-N191 PolarHBondContact O-ND2 3.34Å |
| 188 | I | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 179.4 | -67.3 | 155.7 | 0 | 0 | 0 | 111 | I138 L141 K142 A170 A184 V185 N191 V192 | I138-I188 HydrophobicContact CD1-CD1 3.64Å; I138-I188 HydrophobicContact CG1-CD1 4.34Å; L141-I188 HydrophobicContact CB-CD1 3.64Å; K142-I188 HydrophobicContact CB-CD1 4.26Å; K142-I188 HydrophobicContact CB-CG1 4.15Å; A170-I188 HydrophobicContact CB-CB 4.26Å; A170-I188 HydrophobicContact CB-CD1 4.08Å; A170-I188 HydrophobicContact CB-CG2 3.67Å; A184-I188 WeakPolarHBondContact O-CD1 3.32Å; A184-I188 VanDerWaalsContact O-CG1 3.32Å; A184-I188 WeakPolarHBondContact O-CG1 3.48Å; A184-I188 PolarHBondContact O-N 3.3Å; V185-I188 PolarHBondContact O-N 3Å; V185-I188 VanDerWaalsContact O-N 3.09Å; I188-N191 PolarHBondContact O-N 3.44Å; I188-V192 HydrophobicContact CG2-CG2 4.35Å; I188-V192 VanDerWaalsContact O-CG2 3.3Å; I188-V192 WeakPolarHBondContact O-CG2 3.22Å; I188-V192 PolarHBondContact O-N 3.48Å |
| 189 | T | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 179.7 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | Y167 I171 V185 R186 N191 V192 H193 Y249 | Y167-T189 HydrophobicContact CD2-CG2 4.48Å; Y167-T189 HydrophobicContact CE2-CG2 3.91Å; I171-T189 HydrophobicContact CG2-CG2 3.69Å; V185-T189 HydrophobicContact CG1-CG2 4.45Å; V185-T189 PolarHBondContact O-N 2.78Å; V185-T189 PolarHBondContact O-OG1 3.11Å; R186-T189 PolarHBondContact O-OG1 2.92Å; R186-T189 VanDerWaalsContact O-OG1 3.06Å; T189-N191 VanDerWaalsContact C-N 3.34Å; T189-N191 PolarHBondContact O-N 3.09Å; T189-V192 PolarHBondContact O-N 3.46Å; T189-H193 WeakPolarHBondContact O-CB 3.41Å; T189-H193 VanDerWaalsContact O-CG 3.26Å; T189-H193 PolarHBondContact O-N 2.98Å; T189-H193 PolarHBondContact O-ND1 3.27Å; T189-Y249 WeakPolarHBondContact CB-OH 3.47Å; T189-Y249 WeakPolarHBondContact OG1-CE2 3.22Å; T189-Y249 PolarHBondContact OG1-OH 3.4Å |
| 190 | L | 97.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 175.6 | -72.7 | 171.6 | 0 | 0 | 0 | 112.2 | R186 K194 Y249 D252 L253 L256 | R186-L190 WeakPolarHBondContact O-CB 3.3Å; R186-L190 WeakPolarHBondContact O-CD1 3.37Å; R186-L190 VanDerWaalsContact O-CG 3.28Å; R186-L190 WeakPolarHBondContact O-CG 3.38Å; R186-L190 PolarHBondContact O-N 3.41Å; L190-K194 WeakPolarHBondContact O-CB 3.31Å; L190-K194 PolarHBondContact O-N 2.89Å; L190-Y249 HydrophobicContact CD1-CD2 4.17Å; L190-Y249 HydrophobicContact CD1-CE2 4.39Å; L190-Y249 HydrophobicContact CG-CD2 4.3Å; L190-Y249 HydrophobicContact CG-CE2 4.07Å; L190-D252 HydrophobicContact CD1-CB 3.99Å; L190-D252 HydrophobicContact CD2-CB 3.92Å; L190-L253 HydrophobicContact CD2-CD2 3.92Å; L190-L253 HydrophobicContact CD2-CG 4.04Å; L190-L256 HydrophobicContact CD2-CD1 4.2Å |
| 191 | N | 96.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 175.6 | -80 | -21.8 | 0 | 0 | 0 | 112.1 | S145 F146 T187 I188 T189 V195 | S145-N191 PolarHBondContact OG-ND2 2.85Å; F146-N191 WeakPolarHBondContact CD1-ND2 3.35Å; F146-N191 WeakPolarHBondContact CE1-ND2 3.44Å; T187-N191 WeakPolarHBondContact O-CB 3.36Å; T187-N191 VanDerWaalsContact O-CG 3.29Å; T187-N191 PolarHBondContact O-N 2.88Å; T187-N191 PolarHBondContact O-ND2 3.34Å; I188-N191 PolarHBondContact O-N 3.44Å; T189-N191 VanDerWaalsContact C-N 3.34Å; T189-N191 PolarHBondContact O-N 3.09Å; N191-V195 PolarHBondContact O-N 2.87Å |
| 192 | V | 97 | Very high | 95.4 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -52.4 | 178 | 169.2 | 0 | 0 | 0 | 0 | 111 | L148 F164 Y167 I188 T189 K194 V195 I204 | L148-V192 HydrophobicContact CD1-CB 4.42Å; L148-V192 HydrophobicContact CD1-CG2 3.49Å; L148-V192 VanDerWaalsContact CD1-CG2 3.49Å; F164-V192 HydrophobicContact CE1-CG1 3.56Å; F164-V192 HydrophobicContact CZ-CG1 3.68Å; F164-V192 HydrophobicContact CZ-CG2 4.25Å; Y167-V192 HydrophobicContact CD2-CB 3.9Å; Y167-V192 HydrophobicContact CD2-CG1 3.62Å; Y167-V192 HydrophobicContact CD2-CG2 4.09Å; Y167-V192 HydrophobicContact CE2-CG1 4.25Å; Y167-V192 HydrophobicContact CG-CG1 4.18Å; I188-V192 HydrophobicContact CG2-CG2 4.35Å; I188-V192 VanDerWaalsContact O-CG2 3.3Å; I188-V192 WeakPolarHBondContact O-CG2 3.22Å; I188-V192 PolarHBondContact O-N 3.48Å; T189-V192 PolarHBondContact O-N 3.46Å; V192-K194 PolarHBondContact O-N 2.86Å; V192-V195 PolarHBondContact O-N 2.82Å; V192-V195 VanDerWaalsContact O-N 3.13Å; V192-I204 HydrophobicContact CG1-CD1 3.52Å |
| 193 | H | 95.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -30.1 | -179.5 | -62.1 | 152.9 | 0 | 0 | 0 | 112.7 | Y167 T189 V195 L253 L256 I258 | Y167-H193 AromaticContact CE2-CE1 3.99Å; Y167-H193 AromaticContact CE2-NE2 3.35Å; Y167-H193 VanDerWaalsContact CE2-NE2 3.35Å; Y167-H193 WeakPolarHBondContact CE2-NE2 3.49Å; Y167-H193 AromaticContact CZ-NE2 3.49Å; Y167-H193 PolarHBondContact OH-NE2 3.44Å; T189-H193 WeakPolarHBondContact O-CB 3.41Å; T189-H193 VanDerWaalsContact O-CG 3.26Å; T189-H193 PolarHBondContact O-N 2.98Å; T189-H193 PolarHBondContact O-ND1 3.27Å; H193-V195 VanDerWaalsContact C-N 3.29Å; H193-V195 PolarHBondContact O-N 2.99Å; H193-L253 VanDerWaalsContact ND1-CD2 3.32Å; H193-L253 WeakPolarHBondContact ND1-CD2 3.3Å; H193-L256 HydrophobicContact CB-CD1 3.39Å; H193-I258 HydrophobicContact CB-CD1 4.18Å; H193-I258 WeakPolarHBondContact O-CD1 3.33Å |
| 194 | K | 95.3 | Very high | 95.5 | Very high | 143 Ų | 143 | 30.1 Ų | 30.1 | 62% | 0.622 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -69.6 | -21.5 | 177.2 | -179.5 | 178.7 | 177.4 | -175.7 | 0 | 113.6 | L190 V192 K196 L256 | L190-K194 WeakPolarHBondContact O-CB 3.31Å; L190-K194 PolarHBondContact O-N 2.89Å; V192-K194 PolarHBondContact O-N 2.86Å; K194-K196 PolarHBondContact O-N 3.46Å; K194-L256 HydrophobicContact CB-CD2 4.14Å |
| 195 | V | 92.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -76.7 | 107.1 | 170.8 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | L148 V150 I153 N191 V192 H193 D197 | L148-V195 HydrophobicContact CB-CG2 3.93Å; V150-V195 HydrophobicContact CG2-CG1 4.39Å; I153-V195 HydrophobicContact CB-CG1 4.23Å; I153-V195 HydrophobicContact CD1-CB 4.02Å; I153-V195 HydrophobicContact CD1-CG1 3.77Å; I153-V195 HydrophobicContact CG2-CG1 4.19Å; N191-V195 PolarHBondContact O-N 2.87Å; V192-V195 PolarHBondContact O-N 2.82Å; V192-V195 VanDerWaalsContact O-N 3.13Å; H193-V195 VanDerWaalsContact C-N 3.29Å; H193-V195 PolarHBondContact O-N 2.99Å; V195-D197 HydrophobicContact CG1-CB 4.36Å; V195-D197 PolarHBondContact O-N 3.45Å |
| 196 | K | 87.3 | Confident | 95.2 | Very high | 130 Ų | 130 | 30 Ų | 30 | 57% | 0.565 | 15% | 0.146 | S | C | * | . | trans | -75.7 | 59.6 | -178.2 | -63.1 | -169.4 | 177.2 | -169.1 | 0 | 112.4 | K194 V465 | K194-K196 PolarHBondContact O-N 3.46Å; K196-V465 HydrophobicContact CB-CG1 4.17Å; K196-V465 HydrophobicContact CB-CG2 3.99Å; K196-V465 WeakPolarHBondContact O-CG2 3.22Å | ||
| 197 | D | 92.9 | Very high | 95.1 | Very high | 40 Ų | 40 | 29 Ų | 29 | 21% | 0.214 | 14% | 0.143 | C | C | . | . | trans | -96.2 | 121.4 | 168.7 | -178.5 | -98.5 | 0 | 0 | 0 | 109.5 | I153 V195 A199 A200 L201 | I153-D197 HydrophobicContact CD1-CB 4.21Å; I153-D197 HydrophobicContact CG2-CB 3.97Å; V195-D197 HydrophobicContact CG1-CB 4.36Å; V195-D197 PolarHBondContact O-N 3.45Å; D197-A199 PolarHBondContact O-N 3.15Å; D197-A199 PolarHBondContact OD1-N 3.49Å; D197-A200 HydrophobicContact CB-CB 4.17Å; D197-A200 WeakPolarHBondContact OD1-CB 3.49Å; D197-A200 PolarHBondContact OD1-N 3.33Å; D197-L201 WeakPolarHBondContact O-CB 3.33Å; D197-L201 VanDerWaalsContact O-CG 3.24Å; D197-L201 WeakPolarHBondContact O-CG 3.41Å; D197-L201 PolarHBondContact O-N 3.21Å | ||
| 198 | E | 91.6 | Very high | 95 | Very high | 88 Ų | 88 | 27.3 Ų | 27.3 | 41% | 0.411 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.7 | -42.5 | -174.3 | -171.8 | 75.3 | -178.8 | 0 | 0 | 111.2 | L201 E202 V465 | E198-L201 PolarHBondContact O-N 3.29Å; E198-E202 VanDerWaalsContact O-CB 3.23Å; E198-E202 WeakPolarHBondContact O-CB 3.39Å; E198-E202 PolarHBondContact O-N 2.81Å; E198-V465 HydrophobicContact CB-CG2 4.29Å; E198-V465 WeakPolarHBondContact OE2-CA 3.4Å; E198-V465 WeakPolarHBondContact OE2-CB 3.39Å; E198-V465 VanDerWaalsContact OE2-CG2 3.25Å; E198-V465 WeakPolarHBondContact OE2-CG2 3.38Å; E198-V465 PolarHBondContact OE2-N 3.02Å |
| 199 | A | 92.6 | Very high | 95 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 21% | 0.207 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.4 | -38.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y157 E159 D197 E202 F203 | Y157-A199 HydrophobicContact CE1-CB 3.74Å; Y157-A199 WeakPolarHBondContact CE1-O 3.5Å; Y157-A199 PolarHBondContact OH-O 2.64Å; E159-A199 HydrophobicContact CG-CB 4.41Å; D197-A199 PolarHBondContact O-N 3.15Å; D197-A199 PolarHBondContact OD1-N 3.49Å; A199-E202 PolarHBondContact O-N 3.41Å; A199-F203 PolarHBondContact O-N 3.22Å |
| 200 | A | 95 | Very high | 94.9 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.6 | -41.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I153 Y157 F164 D197 E202 F203 I204 | I153-A200 HydrophobicContact CD1-CB 3.64Å; I153-A200 HydrophobicContact CG1-CB 4.21Å; Y157-A200 HydrophobicContact CD1-CB 3.78Å; Y157-A200 HydrophobicContact CE1-CB 4.31Å; Y157-A200 HydrophobicContact CG-CB 4.06Å; F164-A200 HydrophobicContact CD1-CB 4.47Å; F164-A200 HydrophobicContact CE1-CB 4.04Å; D197-A200 HydrophobicContact CB-CB 4.17Å; D197-A200 WeakPolarHBondContact OD1-CB 3.49Å; D197-A200 PolarHBondContact OD1-N 3.33Å; A200-E202 VanDerWaalsContact C-N 3.28Å; A200-E202 PolarHBondContact O-N 3.3Å; A200-F203 PolarHBondContact O-N 2.99Å; A200-I204 VanDerWaalsContact O-CG1 3.3Å; A200-I204 WeakPolarHBondContact O-CG1 3.36Å; A200-I204 PolarHBondContact O-N 3.49Å |
| 201 | L | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -32.9 | 173.4 | -71.5 | 176 | 0 | 0 | 0 | 111.9 | D197 E198 I204 H205 I258 L261 L464 V465 | D197-L201 WeakPolarHBondContact O-CB 3.33Å; D197-L201 VanDerWaalsContact O-CG 3.24Å; D197-L201 WeakPolarHBondContact O-CG 3.41Å; D197-L201 PolarHBondContact O-N 3.21Å; E198-L201 PolarHBondContact O-N 3.29Å; L201-I204 PolarHBondContact O-N 3.38Å; L201-H205 WeakPolarHBondContact O-CB 3.37Å; L201-H205 PolarHBondContact O-N 3.25Å; L201-I258 HydrophobicContact CD1-CD1 4.39Å; L201-I258 HydrophobicContact CD2-CD1 3.97Å; L201-L261 HydrophobicContact CD2-CD1 4.13Å; L201-L464 HydrophobicContact CB-CB 4.05Å; L201-L464 HydrophobicContact CB-CD1 4.46Å; L201-L464 HydrophobicContact CD1-CB 4.44Å; L201-V465 HydrophobicContact CD1-CG2 4.01Å |
| 202 | E | 94.7 | Very high | 94.8 | Very high | 37 Ų | 37 | 25.6 Ų | 25.6 | 17% | 0.173 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.2 | -41.5 | 177.5 | -159.4 | -118.4 | -135.3 | 0 | 0 | 112.2 | R162 E198 A199 A200 H205 H206 P448 L464 | R162-E202 IonicContact CZ-OE2 2.74Å; R162-E202 VanDerWaalsContact CZ-OE2 3.25Å; R162-E202 IonicContact NH1-OE2 2.75Å; R162-E202 PolarHBondContact NH1-OE2 3.02Å; R162-E202 IonicContact NH2-OE2 3.85Å; R162-E202 PolarHBondContact NH2-OE2 3.23Å; E198-E202 VanDerWaalsContact O-CB 3.23Å; E198-E202 WeakPolarHBondContact O-CB 3.39Å; E198-E202 PolarHBondContact O-N 2.81Å; A199-E202 PolarHBondContact O-N 3.41Å; A200-E202 VanDerWaalsContact C-N 3.28Å; A200-E202 PolarHBondContact O-N 3.3Å; E202-H205 PolarHBondContact O-N 3.34Å; E202-H206 WeakPolarHBondContact CG-CE1 3.11Å; E202-H206 WeakPolarHBondContact CG-ND1 3.46Å; E202-H206 WeakPolarHBondContact O-CB 3.27Å; E202-H206 VanDerWaalsContact O-CG 3.32Å; E202-H206 PolarHBondContact O-N 3.39Å; E202-H206 PolarHBondContact O-ND1 2.85Å; E202-H206 IonicContact OE1-CE1 2.62Å; E202-H206 IonicContact OE1-ND1 3.14Å; E202-H206 IonicContact OE2-CE1 3.17Å; E202-H206 IonicContact OE2-ND1 3.2Å; E202-H206 PolarHBondContact OE2-ND1 2.77Å; E202-H206 VanDerWaalsContact OE2-ND1 3.09Å; E202-P448 VanDerWaalsContact OE1-CB 3.24Å; E202-P448 WeakPolarHBondContact OE1-CB 3.28Å; E202-P448 WeakPolarHBondContact OE1-CG 3.45Å; E202-L464 VanDerWaalsContact CA-CD1 3.48Å; E202-L464 HydrophobicContact CB-CD1 3.66Å; E202-L464 HydrophobicContact CG-CD1 3.9Å |
| 203 | F | 95.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.7 | -47.2 | 167.5 | 163 | -96 | 0 | 0 | 0 | 111.8 | Y157 R162 F164 V168 A199 A200 H205 H206 Q207 T208 | Y157-F203 HydrophobicContact CD2-CB 4.45Å; Y157-F203 HydrophobicContact CD2-CD1 4.49Å; Y157-F203 HydrophobicContact CD2-CG 4.4Å; Y157-F203 HydrophobicContact CE2-CB 3.54Å; Y157-F203 HydrophobicContact CE2-CD1 4.25Å; Y157-F203 HydrophobicContact CE2-CD2 4.21Å; Y157-F203 AromaticContact CE2-CG 3.73Å; Y157-F203 HydrophobicContact CE2-CG 3.73Å; R162-F203 HydrophobicContact CB-CD2 4.01Å; R162-F203 HydrophobicContact CB-CE2 4.4Å; R162-F203 VanDerWaalsContact O-CE2 3.24Å; R162-F203 WeakPolarHBondContact O-CE2 3.19Å; F164-F203 HydrophobicContact CB-CD1 3.88Å; F164-F203 HydrophobicContact CB-CE1 3.48Å; F164-F203 VanDerWaalsContact CB-CE1 3.48Å; F164-F203 HydrophobicContact CB-CZ 4.09Å; F164-F203 HydrophobicContact CD1-CD1 4.07Å; F164-F203 HydrophobicContact CD1-CE1 4.25Å; F164-F203 HydrophobicContact CG-CE1 4.38Å; V168-F203 HydrophobicContact CG2-CE1 4.27Å; V168-F203 HydrophobicContact CG2-CZ 3.9Å; A199-F203 PolarHBondContact O-N 3.22Å; A200-F203 PolarHBondContact O-N 2.99Å; F203-H205 PolarHBondContact O-N 3.37Å; F203-H206 PolarHBondContact O-N 3.31Å; F203-Q207 HydrophobicContact CD2-CB 4.07Å; F203-Q207 HydrophobicContact CD2-CG 4.14Å; F203-Q207 HydrophobicContact CE2-CB 3.92Å; F203-Q207 HydrophobicContact CE2-CG 4.34Å; F203-Q207 WeakPolarHBondContact O-CB 3.48Å; F203-Q207 PolarHBondContact O-N 3.38Å; F203-T208 HydrophobicContact CE1-CG2 3.87Å; F203-T208 HydrophobicContact CZ-CG2 3.93Å |
| 204 | I | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | -179.5 | -72.3 | 173.9 | 0 | 0 | 0 | 110.8 | F164 Y167 V192 A200 L201 T208 S209 L261 | F164-I204 HydrophobicContact CD1-CD1 4.42Å; F164-I204 HydrophobicContact CE1-CD1 4.17Å; Y167-I204 HydrophobicContact CD1-CD1 4.36Å; Y167-I204 HydrophobicContact CD1-CG1 4.13Å; Y167-I204 HydrophobicContact CD2-CD1 4.25Å; Y167-I204 HydrophobicContact CE1-CD1 4.27Å; Y167-I204 HydrophobicContact CE1-CG1 3.91Å; Y167-I204 HydrophobicContact CE1-CG2 4.36Å; Y167-I204 HydrophobicContact CE2-CD1 4.13Å; Y167-I204 HydrophobicContact CG-CD1 4.34Å; V192-I204 HydrophobicContact CG1-CD1 3.52Å; A200-I204 VanDerWaalsContact O-CG1 3.3Å; A200-I204 WeakPolarHBondContact O-CG1 3.36Å; A200-I204 PolarHBondContact O-N 3.49Å; L201-I204 PolarHBondContact O-N 3.38Å; I204-T208 WeakPolarHBondContact CA-OG1 3.48Å; I204-T208 PolarHBondContact O-N 3.34Å; I204-T208 VanDerWaalsContact O-N 3.14Å; I204-T208 PolarHBondContact O-OG1 2.7Å; I204-S209 PolarHBondContact O-N 2.91Å; I204-L261 HydrophobicContact CG2-CD1 4.13Å; I204-L261 HydrophobicContact CG2-CD2 4.04Å |
| 205 | H | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -58.4 | -55.7 | 176.1 | 177.7 | -114 | 0 | 0 | 0 | 111.3 | L201 E202 F203 S209 L261 L464 | L201-H205 WeakPolarHBondContact O-CB 3.37Å; L201-H205 PolarHBondContact O-N 3.25Å; E202-H205 PolarHBondContact O-N 3.34Å; F203-H205 PolarHBondContact O-N 3.37Å; H205-S209 PolarHBondContact O-OG 3.2Å; H205-L261 HydrophobicContact CB-CD2 3.91Å; H205-L464 HydrophobicContact CB-CD2 4.18Å |
| 206 | H | 94.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 20 Ų | 20 | 3% | 0.032 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -73 | -38.2 | -172.4 | -67.5 | 152.2 | 0 | 0 | 0 | 114.6 | E202 F203 V446 | E202-H206 WeakPolarHBondContact CG-CE1 3.11Å; E202-H206 WeakPolarHBondContact CG-ND1 3.46Å; E202-H206 WeakPolarHBondContact O-CB 3.27Å; E202-H206 VanDerWaalsContact O-CG 3.32Å; E202-H206 PolarHBondContact O-N 3.39Å; E202-H206 PolarHBondContact O-ND1 2.85Å; E202-H206 IonicContact OE1-CE1 2.62Å; E202-H206 IonicContact OE1-ND1 3.14Å; E202-H206 IonicContact OE2-CE1 3.17Å; E202-H206 IonicContact OE2-ND1 3.2Å; E202-H206 PolarHBondContact OE2-ND1 2.77Å; E202-H206 VanDerWaalsContact OE2-ND1 3.09Å; F203-H206 PolarHBondContact O-N 3.31Å; H206-V446 HydrophobicContact CB-CB 4.37Å; H206-V446 HydrophobicContact CB-CG1 3.81Å; H206-V446 WeakPolarHBondContact O-CB 3.27Å |
| 207 | Q | 95.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 13.8 Ų | 13.8 | 3% | 0.033 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -112.5 | -8.6 | -167.3 | -53.5 | -155.6 | -19.3 | 0 | 0 | 114.7 | F203 L440 A443 K444 V446 | F203-Q207 HydrophobicContact CD2-CB 4.07Å; F203-Q207 HydrophobicContact CD2-CG 4.14Å; F203-Q207 HydrophobicContact CE2-CB 3.92Å; F203-Q207 HydrophobicContact CE2-CG 4.34Å; F203-Q207 WeakPolarHBondContact O-CB 3.48Å; F203-Q207 PolarHBondContact O-N 3.38Å; Q207-L440 WeakPolarHBondContact O-CD2 3.37Å; Q207-A443 HydrophobicContact CB-CB 4.43Å; Q207-A443 WeakPolarHBondContact CG-O 3.48Å; Q207-A443 WeakPolarHBondContact O-CB 3.49Å; Q207-K444 PolarHBondContact NE2-O 2.82Å; Q207-V446 PolarHBondContact NE2-O 2.64Å |
| 208 | T | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -132.8 | -34.9 | -175.5 | 79 | 0 | 0 | 0 | 0 | 114.9 | Y167 I171 F203 I204 L210 I211 Y212 L440 | Y167-T208 HydrophobicContact CD1-CG2 4.36Å; Y167-T208 HydrophobicContact CE1-CG2 3.91Å; Y167-T208 WeakPolarHBondContact CE1-OG1 3.46Å; I171-T208 HydrophobicContact CD1-CG2 4.49Å; F203-T208 HydrophobicContact CE1-CG2 3.87Å; F203-T208 HydrophobicContact CZ-CG2 3.93Å; I204-T208 WeakPolarHBondContact CA-OG1 3.48Å; I204-T208 PolarHBondContact O-N 3.34Å; I204-T208 VanDerWaalsContact O-N 3.14Å; I204-T208 PolarHBondContact O-OG1 2.7Å; T208-L210 PolarHBondContact O-N 2.73Å; T208-I211 PolarHBondContact O-N 2.91Å; T208-Y212 VanDerWaalsContact O-CB 3.27Å; T208-Y212 WeakPolarHBondContact O-CB 3.44Å; T208-Y212 PolarHBondContact O-N 2.83Å; T208-L440 HydrophobicContact CG2-CD2 3.96Å |
| 209 | S | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -58.5 | -51.7 | -164.9 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | I204 H205 I211 F213 L394 | I204-S209 PolarHBondContact O-N 2.91Å; H205-S209 PolarHBondContact O-OG 3.2Å; S209-I211 PolarHBondContact O-N 3.46Å; S209-F213 WeakPolarHBondContact O-CB 3.42Å; S209-F213 VanDerWaalsContact O-CD2 3.22Å; S209-F213 WeakPolarHBondContact O-CD2 3.32Å; S209-F213 WeakPolarHBondContact O-CG 3.11Å; S209-F213 PolarHBondContact O-N 3Å; S209-L394 WeakPolarHBondContact OG-CD2 3.27Å |
| 210 | L | 95.7 | Very high | 96.1 | Very high | 18 Ų | 18 | 10.4 Ų | 10.4 | 9% | 0.094 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 179.9 | -175.9 | 66.5 | 0 | 0 | 0 | 112.4 | T208 S214 V264 Q268 I390 T393 L394 | T208-L210 PolarHBondContact O-N 2.73Å; L210-S214 WeakPolarHBondContact O-CB 3.44Å; L210-S214 PolarHBondContact O-N 3.37Å; L210-S214 PolarHBondContact O-OG 2.96Å; L210-V264 HydrophobicContact CB-CG1 4.37Å; L210-V264 HydrophobicContact CD1-CG1 4.33Å; L210-Q268 HydrophobicContact CD1-CG 4.18Å; L210-I390 HydrophobicContact CD2-CB 4.49Å; L210-I390 HydrophobicContact CD2-CG2 4.07Å; L210-T393 HydrophobicContact CD1-CG2 3.86Å; L210-T393 HydrophobicContact CD2-CG2 3.73Å; L210-T393 HydrophobicContact CG-CG2 4.47Å; L210-L394 HydrophobicContact CB-CD2 3.95Å |
| 211 | I | 96.2 | Very high | 96.1 | Very high | 9 Ų | 9 | 10.3 Ų | 10.3 | 5% | 0.046 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -70.3 | -43.2 | -176.5 | -43 | -56.9 | 0 | 0 | 0 | 110.3 | T208 S209 S214 H215 I390 L436 A443 | T208-I211 PolarHBondContact O-N 2.91Å; S209-I211 PolarHBondContact O-N 3.46Å; I211-S214 PolarHBondContact O-OG 3.09Å; I211-H215 PolarHBondContact O-N 3.07Å; I211-H215 PolarHBondContact O-ND1 2.92Å; I211-I390 HydrophobicContact CD1-CD1 4.11Å; I211-I390 HydrophobicContact CD1-CG1 4.3Å; I211-L436 HydrophobicContact CB-CD1 4.4Å; I211-L436 HydrophobicContact CG2-CD1 3.77Å; I211-A443 HydrophobicContact CG1-CB 4.34Å |
| 212 | Y | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.008 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.3 | -48.9 | 178.1 | 177.5 | -117.4 | 0 | 0 | 0 | 112.2 | I171 F174 T208 S214 H215 L216 Y249 | I171-Y212 HydrophobicContact CB-CD2 3.83Å; I171-Y212 HydrophobicContact CB-CE2 4.03Å; I171-Y212 HydrophobicContact CB-CG 4.45Å; I171-Y212 HydrophobicContact CG2-CD2 4.08Å; I171-Y212 HydrophobicContact CG2-CE2 4.09Å; I171-Y212 HydrophobicContact CG2-CG 4.36Å; F174-Y212 HydrophobicContact CB-CE2 3.73Å; F174-Y212 HydrophobicContact CD1-CE2 4.43Å; F174-Y212 HydrophobicContact CD2-CE2 4.16Å; F174-Y212 AromaticContact CG-CE2 3.82Å; F174-Y212 HydrophobicContact CG-CE2 3.82Å; T208-Y212 VanDerWaalsContact O-CB 3.27Å; T208-Y212 WeakPolarHBondContact O-CB 3.44Å; T208-Y212 PolarHBondContact O-N 2.83Å; Y212-S214 PolarHBondContact O-N 3.01Å; Y212-H215 PolarHBondContact O-N 2.9Å; Y212-L216 HydrophobicContact CE1-CD2 4.31Å; Y212-L216 WeakPolarHBondContact O-CB 3.27Å; Y212-L216 PolarHBondContact O-N 3.39Å; Y212-Y249 PolarHBondContact OH-OH 2.69Å |
| 213 | F | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.013 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -68.7 | -35 | -178.7 | -61.9 | -29.3 | 0 | 0 | 0 | 112.2 | S209 H215 L216 V217 L253 V264 L265 Q268 | S209-F213 WeakPolarHBondContact O-CB 3.42Å; S209-F213 VanDerWaalsContact O-CD2 3.22Å; S209-F213 WeakPolarHBondContact O-CD2 3.32Å; S209-F213 WeakPolarHBondContact O-CG 3.11Å; S209-F213 PolarHBondContact O-N 3Å; F213-H215 VanDerWaalsContact C-N 3.32Å; F213-H215 PolarHBondContact O-N 2.95Å; F213-L216 HydrophobicContact CD1-CD2 4.34Å; F213-L216 PolarHBondContact O-N 2.8Å; F213-V217 VanDerWaalsContact O-CB 3.29Å; F213-V217 WeakPolarHBondContact O-CB 3.5Å; F213-V217 WeakPolarHBondContact O-CG2 3.15Å; F213-V217 PolarHBondContact O-N 3.28Å; F213-L253 HydrophobicContact CE1-CD1 4.32Å; F213-V264 HydrophobicContact CD2-CB 4.33Å; F213-V264 HydrophobicContact CD2-CG1 4.07Å; F213-L265 HydrophobicContact CB-CD1 4.07Å; F213-L265 HydrophobicContact CD1-CD1 3.86Å; F213-L265 HydrophobicContact CD2-CB 3.88Å; F213-L265 HydrophobicContact CD2-CD1 4.08Å; F213-L265 HydrophobicContact CE1-CD1 4.28Å; F213-L265 HydrophobicContact CE2-CB 3.82Å; F213-L265 HydrophobicContact CE2-CD1 4.48Å; F213-L265 HydrophobicContact CG-CB 4.44Å; F213-L265 HydrophobicContact CG-CD1 3.75Å; F213-L265 HydrophobicContact CZ-CB 4.32Å; F213-Q268 HydrophobicContact CB-CB 4.41Å; F213-Q268 HydrophobicContact CB-CG 4.31Å |
| 214 | S | 95.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 11 Ų | 11 | 10% | 0.098 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.6 | -36.5 | 173.3 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | L210 I211 Y212 W218 R272 | L210-S214 WeakPolarHBondContact O-CB 3.44Å; L210-S214 PolarHBondContact O-N 3.37Å; L210-S214 PolarHBondContact O-OG 2.96Å; I211-S214 PolarHBondContact O-OG 3.09Å; Y212-S214 PolarHBondContact O-N 3.01Å; S214-W218 WeakPolarHBondContact O-CB 3.35Å; S214-W218 PolarHBondContact O-N 2.95Å; S214-R272 PolarHBondContact O-NH1 3.15Å |
| 215 | H | 96.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 13.2 Ų | 13.2 | 11% | 0.106 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -71.4 | -42.6 | 173.2 | -81.3 | 82.6 | 0 | 0 | 0 | 112.7 | F174 I211 Y212 F213 W218 S219 E434 L436 | F174-H215 HydrophobicContact CE1-CB 4.14Å; F174-H215 HydrophobicContact CE2-CB 4.36Å; F174-H215 HydrophobicContact CZ-CB 3.68Å; I211-H215 PolarHBondContact O-N 3.07Å; I211-H215 PolarHBondContact O-ND1 2.92Å; Y212-H215 PolarHBondContact O-N 2.9Å; F213-H215 VanDerWaalsContact C-N 3.32Å; F213-H215 PolarHBondContact O-N 2.95Å; H215-W218 PolarHBondContact O-N 3.18Å; H215-S219 PolarHBondContact O-N 3Å; H215-E434 PolarHBondContact NE2-O 2.92Å; H215-L436 PolarHBondContact CE1-N 3.29Å; H215-L436 PolarHBondContact NE2-N 2.94Å; H215-L436 VanDerWaalsContact NE2-N 3.15Å |
| 216 | L | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 175.6 | 178.5 | 62.5 | 0 | 0 | 0 | 111.9 | F174 Y212 F213 W218 S219 I220 Y249 I250 | F174-L216 HydrophobicContact CD2-CD1 4.4Å; Y212-L216 HydrophobicContact CE1-CD2 4.31Å; Y212-L216 WeakPolarHBondContact O-CB 3.27Å; Y212-L216 PolarHBondContact O-N 3.39Å; F213-L216 HydrophobicContact CD1-CD2 4.34Å; F213-L216 PolarHBondContact O-N 2.8Å; L216-W218 VanDerWaalsContact C-N 3.32Å; L216-W218 PolarHBondContact O-N 3.22Å; L216-S219 WeakPolarHBondContact O-CB 3.45Å; L216-S219 PolarHBondContact O-N 2.8Å; L216-I220 HydrophobicContact CD1-CD1 4.35Å; L216-I220 HydrophobicContact CG-CD1 4.16Å; L216-I220 WeakPolarHBondContact O-CG1 3.46Å; L216-I220 PolarHBondContact O-N 2.96Å; L216-Y249 HydrophobicContact CD1-CD1 4.29Å; L216-Y249 HydrophobicContact CD1-CE1 4.06Å; L216-Y249 HydrophobicContact CD2-CD1 4.22Å; L216-Y249 HydrophobicContact CD2-CE1 3.71Å; L216-I250 HydrophobicContact CD2-CD1 3.86Å |
| 217 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66 | -33.8 | -179.7 | 172 | 0 | 0 | 0 | 0 | 111.9 | F213 G221 Q268 L269 R272 L273 | F213-V217 VanDerWaalsContact O-CB 3.29Å; F213-V217 WeakPolarHBondContact O-CB 3.5Å; F213-V217 WeakPolarHBondContact O-CG2 3.15Å; F213-V217 PolarHBondContact O-N 3.28Å; V217-G221 PolarHBondContact O-N 3.42Å; V217-G221 VanDerWaalsContact O-N 3.16Å; V217-Q268 HydrophobicContact CG2-CB 4.26Å; V217-L269 HydrophobicContact CG2-CD2 3.85Å; V217-L269 HydrophobicContact CG2-CG 4.07Å; V217-R272 HydrophobicContact CG1-CB 4.28Å; V217-L273 HydrophobicContact CG1-CB 3.46Å; V217-L273 VanDerWaalsContact CG1-CB 3.46Å; V217-L273 HydrophobicContact CG1-CD2 4.24Å; V217-L273 HydrophobicContact CG1-CG 4.43Å |
| 218 | W | 95.5 | Very high | 95 | Very high | 53 Ų | 53 | 18.5 Ų | 18.5 | 20% | 0.201 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.3 | -46.1 | 170.6 | 173.8 | -112.1 | 0 | 0 | 0 | 112 | S214 H215 L216 I220 G221 N222 F429 Q431 | S214-W218 WeakPolarHBondContact O-CB 3.35Å; S214-W218 PolarHBondContact O-N 2.95Å; H215-W218 PolarHBondContact O-N 3.18Å; L216-W218 VanDerWaalsContact C-N 3.32Å; L216-W218 PolarHBondContact O-N 3.22Å; W218-I220 VanDerWaalsContact C-N 3.33Å; W218-I220 PolarHBondContact O-N 3.06Å; W218-G221 PolarHBondContact O-N 3Å; W218-G221 VanDerWaalsContact O-N 3.16Å; W218-N222 PolarHBondContact NE1-ND2 3.43Å; W218-N222 VanDerWaalsContact NE1-ND2 3.17Å; W218-N222 PolarHBondContact O-N 3.2Å; W218-F429 HydrophobicContact CD2-CZ 4.47Å; W218-F429 HydrophobicContact CE3-CD1 4.34Å; W218-F429 AromaticContact CE3-CE1 3.71Å; W218-F429 HydrophobicContact CE3-CE1 3.71Å; W218-F429 AromaticContact CE3-CE2 3.97Å; W218-F429 HydrophobicContact CE3-CE2 3.97Å; W218-F429 AromaticContact CE3-CZ 3.47Å; W218-F429 HydrophobicContact CE3-CZ 3.47Å; W218-F429 VanDerWaalsContact CE3-CZ 3.47Å; W218-F429 AromaticContact CH2-CE1 3.99Å; W218-F429 HydrophobicContact CH2-CE1 3.99Å; W218-F429 HydrophobicContact CH2-CZ 4.45Å; W218-F429 AromaticContact CZ3-CD1 3.69Å; W218-F429 HydrophobicContact CZ3-CD1 3.69Å; W218-F429 AromaticContact CZ3-CE1 3.17Å; W218-F429 HydrophobicContact CZ3-CE1 3.17Å; W218-F429 HydrophobicContact CZ3-CE2 4.26Å; W218-F429 HydrophobicContact CZ3-CG 4.44Å; W218-F429 AromaticContact CZ3-CZ 3.47Å; W218-F429 HydrophobicContact CZ3-CZ 3.47Å; W218-F429 VanDerWaalsContact CZ3-CZ 3.47Å; W218-Q431 HydrophobicContact CD2-CB 4.27Å; W218-Q431 HydrophobicContact CH2-CB 4.1Å; W218-Q431 HydrophobicContact CZ2-CB 3.62Å; W218-Q431 HydrophobicContact CZ2-CG 4.14Å |
| 219 | S | 95 | Very high | 94.4 | Very high | 25 Ų | 25 | 22.5 Ų | 22.5 | 18% | 0.175 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.2 | -46.3 | 175.6 | -169.9 | 0 | 0 | 0 | 0 | 112 | H215 L216 G221 N222 T223 | H215-S219 PolarHBondContact O-N 3Å; L216-S219 WeakPolarHBondContact O-CB 3.45Å; L216-S219 PolarHBondContact O-N 2.8Å; S219-G221 VanDerWaalsContact C-N 3.32Å; S219-G221 PolarHBondContact O-N 3.24Å; S219-N222 PolarHBondContact O-N 3.25Å; S219-T223 PolarHBondContact O-N 3.29Å; S219-T223 VanDerWaalsContact O-N 3.14Å; S219-T223 PolarHBondContact O-OG1 2.83Å |
| 220 | I | 96.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 177.8 | -67.2 | 169 | 0 | 0 | 0 | 111.1 | L216 W218 T223 I224 H246 I250 L273 | L216-I220 HydrophobicContact CD1-CD1 4.35Å; L216-I220 HydrophobicContact CG-CD1 4.16Å; L216-I220 WeakPolarHBondContact O-CG1 3.46Å; L216-I220 PolarHBondContact O-N 2.96Å; W218-I220 VanDerWaalsContact C-N 3.33Å; W218-I220 PolarHBondContact O-N 3.06Å; I220-T223 PolarHBondContact O-N 3.49Å; I220-I224 HydrophobicContact CG2-CD1 4.01Å; I220-I224 VanDerWaalsContact O-CG1 3.3Å; I220-I224 WeakPolarHBondContact O-CG1 3.48Å; I220-I224 PolarHBondContact O-N 2.96Å; I220-H246 HydrophobicContact CD1-CB 4.21Å; I220-H246 HydrophobicContact CG1-CB 3.87Å; I220-H246 WeakPolarHBondContact CG1-ND1 3.45Å; I220-I250 HydrophobicContact CD1-CD1 4.17Å; I220-I250 HydrophobicContact CD1-CG1 4.07Å; I220-L273 HydrophobicContact CB-CD2 4.38Å; I220-L273 HydrophobicContact CG2-CD2 3.79Å |
| 221 | G | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -34.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V217 W218 S219 I224 L225 | V217-G221 PolarHBondContact O-N 3.42Å; V217-G221 VanDerWaalsContact O-N 3.16Å; W218-G221 PolarHBondContact O-N 3Å; W218-G221 VanDerWaalsContact O-N 3.16Å; S219-G221 VanDerWaalsContact C-N 3.32Å; S219-G221 PolarHBondContact O-N 3.24Å; G221-I224 PolarHBondContact O-N 3.3Å; G221-L225 WeakPolarHBondContact O-CG 3.45Å; G221-L225 PolarHBondContact O-N 2.74Å |
| 222 | N | 93 | Very high | 89.8 | Confident | 49 Ų | 49 | 37 Ų | 37 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 174 | -68.4 | -17.6 | 0 | 0 | 0 | 111.4 | W218 S219 I224 L225 D226 | W218-N222 PolarHBondContact NE1-ND2 3.43Å; W218-N222 VanDerWaalsContact NE1-ND2 3.17Å; W218-N222 PolarHBondContact O-N 3.2Å; S219-N222 PolarHBondContact O-N 3.25Å; N222-I224 PolarHBondContact O-N 2.77Å; N222-L225 WeakPolarHBondContact O-CB 3.43Å; N222-L225 PolarHBondContact O-N 2.96Å; N222-D226 PolarHBondContact O-N 2.75Å |
| 223 | T | 94.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.2 | -38.4 | 172.5 | -47.3 | 0 | 0 | 0 | 0 | 111.8 | S219 I220 D226 I227 L239 E242 H243 | S219-T223 PolarHBondContact O-N 3.29Å; S219-T223 VanDerWaalsContact O-N 3.14Å; S219-T223 PolarHBondContact O-OG1 2.83Å; I220-T223 PolarHBondContact O-N 3.49Å; T223-D226 PolarHBondContact O-N 3.13Å; T223-I227 HydrophobicContact CG2-CD1 4.49Å; T223-I227 VanDerWaalsContact O-CG1 3.27Å; T223-I227 WeakPolarHBondContact O-CG1 3.23Å; T223-I227 PolarHBondContact O-N 3.36Å; T223-L239 HydrophobicContact CG2-CD2 4.46Å; T223-E242 HydrophobicContact CG2-CB 4.36Å; T223-E242 HydrophobicContact CG2-CG 4.08Å; T223-H243 HydrophobicContact CG2-CB 4.22Å |
| 224 | I | 94.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.4 | -34.1 | 178.5 | -64.1 | 167.1 | 0 | 0 | 0 | 112.2 | I220 G221 N222 D228 L273 L302 V306 T310 | I220-I224 HydrophobicContact CG2-CD1 4.01Å; I220-I224 VanDerWaalsContact O-CG1 3.3Å; I220-I224 WeakPolarHBondContact O-CG1 3.48Å; I220-I224 PolarHBondContact O-N 2.96Å; G221-I224 PolarHBondContact O-N 3.3Å; N222-I224 PolarHBondContact O-N 2.77Å; I224-D228 PolarHBondContact O-N 3.09Å; I224-L273 HydrophobicContact CD1-CD1 4.49Å; I224-L302 HydrophobicContact CG2-CD1 3.49Å; I224-L302 VanDerWaalsContact CG2-CD1 3.49Å; I224-L302 HydrophobicContact CG2-CD2 3.8Å; I224-L302 HydrophobicContact CG2-CG 4.3Å; I224-V306 HydrophobicContact CG2-CG1 4.27Å; I224-T310 HydrophobicContact CG1-CG2 4.14Å; I224-T310 HydrophobicContact CG2-CG2 3.96Å |
| 225 | L | 92.3 | Very high | 86.6 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 171.6 | -71.6 | 165.7 | 0 | 0 | 0 | 111.9 | G221 N222 D228 C229 L277 P300 L302 F429 | G221-L225 WeakPolarHBondContact O-CG 3.45Å; G221-L225 PolarHBondContact O-N 2.74Å; N222-L225 WeakPolarHBondContact O-CB 3.43Å; N222-L225 PolarHBondContact O-N 2.96Å; L225-D228 PolarHBondContact O-N 3.24Å; L225-C229 WeakPolarHBondContact O-CB 3.19Å; L225-C229 PolarHBondContact O-N 2.85Å; L225-L277 HydrophobicContact CD2-CD1 4.44Å; L225-P300 HydrophobicContact CD2-CB 4.08Å; L225-L302 HydrophobicContact CD2-CD2 3.79Å; L225-L302 HydrophobicContact CG-CD2 4.36Å; L225-F429 HydrophobicContact CD1-CE1 3.68Å; L225-F429 HydrophobicContact CD1-CZ 4.18Å |
| 226 | D | 91.2 | Very high | 86.2 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 175.4 | -69.4 | -34 | 0 | 0 | 0 | 111.9 | N222 T223 D228 C229 H230 L239 | N222-D226 PolarHBondContact O-N 2.75Å; T223-D226 PolarHBondContact O-N 3.13Å; D226-D228 VanDerWaalsContact C-N 3.31Å; D226-D228 PolarHBondContact O-N 2.72Å; D226-C229 PolarHBondContact O-N 3.22Å; D226-H230 WeakPolarHBondContact O-CB 3.23Å; D226-H230 PolarHBondContact O-CD2 3.43Å; D226-H230 VanDerWaalsContact O-CD2 3.31Å; D226-H230 PolarHBondContact O-N 3.01Å; D226-L239 HydrophobicContact CB-CD1 4.13Å; D226-L239 HydrophobicContact CB-CD2 4.06Å |
| 227 | I | 91.6 | Very high | 85.8 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -39.6 | 170.3 | -73.5 | 167.3 | 0 | 0 | 0 | 111.6 | T223 L236 L239 V240 H243 V306 L704 | T223-I227 HydrophobicContact CG2-CD1 4.49Å; T223-I227 VanDerWaalsContact O-CG1 3.27Å; T223-I227 WeakPolarHBondContact O-CG1 3.23Å; T223-I227 PolarHBondContact O-N 3.36Å; I227-L236 HydrophobicContact CB-CD1 4.36Å; I227-L236 HydrophobicContact CG2-CD1 3.92Å; I227-L236 WeakPolarHBondContact O-CD1 3.21Å; I227-L239 HydrophobicContact CD1-CB 4.46Å; I227-L239 HydrophobicContact CG1-CB 3.75Å; I227-V240 HydrophobicContact CD1-CG2 3.98Å; I227-V240 HydrophobicContact CG1-CG2 4.2Å; I227-V240 HydrophobicContact CG2-CG2 4.46Å; I227-H243 HydrophobicContact CD1-CB 3.85Å; I227-V306 HydrophobicContact CG2-CG1 3.81Å; I227-V306 HydrophobicContact CG2-CG2 4.01Å; I227-L704 HydrophobicContact CG2-CD1 3.74Å |
| 228 | D | 89 | Confident | 85.5 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76.1 | -28.8 | 178.5 | -154.6 | 50.4 | 0 | 0 | 0 | 113 | I224 L225 D226 L302 S303 V306 | I224-D228 PolarHBondContact O-N 3.09Å; L225-D228 PolarHBondContact O-N 3.24Å; D226-D228 VanDerWaalsContact C-N 3.31Å; D226-D228 PolarHBondContact O-N 2.72Å; D228-L302 HydrophobicContact CB-CD2 4.04Å; D228-L302 WeakPolarHBondContact OD2-CA 3.29Å; D228-S303 VanDerWaalsContact CG-N 3.3Å; D228-S303 WeakPolarHBondContact OD1-CB 3.46Å; D228-S303 PolarHBondContact OD1-N 3.39Å; D228-S303 VanDerWaalsContact OD1-N 3.12Å; D228-S303 PolarHBondContact OD1-OG 3.31Å; D228-S303 PolarHBondContact OD2-N 3.09Å; D228-V306 HydrophobicContact CB-CB 4.37Å; D228-V306 HydrophobicContact CB-CG1 4.27Å; D228-V306 HydrophobicContact CB-CG2 4.21Å; D228-V306 WeakPolarHBondContact OD1-CB 3.36Å; D228-V306 WeakPolarHBondContact OD1-CG2 3.23Å |
| 229 | C | 85.1 | Confident | 85.3 | Confident | 86 Ų | 86 | 61 Ų | 61 | 58% | 0.581 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73.4 | -42.7 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | L225 D226 K231 | L225-C229 WeakPolarHBondContact O-CB 3.19Å; L225-C229 PolarHBondContact O-N 2.85Å; D226-C229 PolarHBondContact O-N 3.22Å; C229-K231 PolarHBondContact O-N 3.02Å |
| 230 | H | 69.7 | Low | 85.3 | Confident | 63 Ų | 63 | 60 Ų | 60 | 29% | 0.292 | 31% | 0.307 | S | S | . | . | trans | -92.1 | 98.3 | -164.2 | -74.7 | -45.3 | 0 | 0 | 0 | 115.6 | D226 C232 L239 | D226-H230 WeakPolarHBondContact O-CB 3.23Å; D226-H230 PolarHBondContact O-CD2 3.43Å; D226-H230 VanDerWaalsContact O-CD2 3.31Å; D226-H230 PolarHBondContact O-N 3.01Å; H230-C232 PolarHBondContact O-N 2.77Å; H230-L239 HydrophobicContact CB-CD1 4.23Å | ||
| 231 | K | 62.5 | Low | 85.1 | Confident | 198 Ų | 198 | 62 Ų | 62 | 86% | 0.861 | 33% | 0.325 | S | S | * | . | trans | -75.7 | 4.3 | 174 | -59.2 | 172.6 | -173 | 167.3 | 0 | 115.2 | C229 | C229-K231 PolarHBondContact O-N 3.02Š| ||
| 232 | C | 60.8 | Low | 85 | Confident | 70 Ų | 70 | 64 Ų | 64 | 47% | 0.473 | 33% | 0.334 | S | S | . | . | trans | -96.5 | 119.4 | -176.8 | -172.3 | 0 | 0 | 0 | 0 | 111 | H230 T234 K235 L236 | H230-C232 PolarHBondContact O-N 2.77Å; C232-T234 VanDerWaalsContact C-N 3.31Å; C232-T234 PolarHBondContact O-N 3.28Å; C232-T234 VanDerWaalsContact O-N 3.17Å; C232-K235 PolarHBondContact O-N 2.99Å; C232-L236 VanDerWaalsContact O-CB 3.27Å; C232-L236 WeakPolarHBondContact O-CB 3.48Å; C232-L236 PolarHBondContact O-N 3.01Å | ||
| 233 | Q | 66.8 | Low | 85.1 | Confident | 108 Ų | 108 | 61.8 Ų | 61.8 | 51% | 0.505 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.5 | -32.9 | -167 | -172.9 | 180 | -2.1 | 0 | 0 | 115 | K237 I705 | Q233-K237 PolarHBondContact O-N 2.87Å; Q233-I705 HydrophobicContact CB-CD1 4.11Å; Q233-I705 HydrophobicContact CG-CD1 4.02Å |
| 234 | T | 73 | Confident | 85.2 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 60% | 0.595 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.6 | -63.6 | 178 | 48.4 | 0 | 0 | 0 | 0 | 110.8 | C232 L236 K237 D238 | C232-T234 VanDerWaalsContact C-N 3.31Å; C232-T234 PolarHBondContact O-N 3.28Å; C232-T234 VanDerWaalsContact O-N 3.17Å; T234-L236 PolarHBondContact O-N 3.45Å; T234-L236 VanDerWaalsContact O-N 3.17Å; T234-K237 WeakPolarHBondContact O-CB 3.34Å; T234-K237 PolarHBondContact O-N 3.39Å; T234-D238 PolarHBondContact O-N 2.87Å |
| 235 | K | 83.5 | Confident | 85.2 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -52.7 | -40.3 | 177 | -70.1 | -165.8 | 170.5 | -162.4 | 0 | 112.7 | C232 K237 D238 L239 | C232-K235 PolarHBondContact O-N 2.99Å; K235-K237 VanDerWaalsContact C-N 3.32Å; K235-K237 PolarHBondContact O-N 3.2Å; K235-D238 PolarHBondContact O-N 3.23Å; K235-L239 WeakPolarHBondContact O-CB 3.38Å; K235-L239 WeakPolarHBondContact O-CD1 3.37Å; K235-L239 VanDerWaalsContact O-CG 3.28Å; K235-L239 WeakPolarHBondContact O-CG 3.42Å; K235-L239 PolarHBondContact O-N 2.92Å |
| 236 | L | 87.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 178.5 | -174.8 | 63.9 | 0 | 0 | 0 | 112.2 | I227 C232 T234 V240 A701 L704 I705 | I227-L236 HydrophobicContact CB-CD1 4.36Å; I227-L236 HydrophobicContact CG2-CD1 3.92Å; I227-L236 WeakPolarHBondContact O-CD1 3.21Å; C232-L236 VanDerWaalsContact O-CB 3.27Å; C232-L236 WeakPolarHBondContact O-CB 3.48Å; C232-L236 PolarHBondContact O-N 3.01Å; T234-L236 PolarHBondContact O-N 3.45Å; T234-L236 VanDerWaalsContact O-N 3.17Å; L236-V240 HydrophobicContact CD1-CG2 4.45Å; L236-V240 VanDerWaalsContact O-CB 3.32Å; L236-V240 WeakPolarHBondContact O-CB 3.37Å; L236-V240 WeakPolarHBondContact O-CG2 3.44Å; L236-V240 PolarHBondContact O-N 3.5Å; L236-A701 HydrophobicContact CD2-CB 4.41Å; L236-A701 HydrophobicContact CG-CB 4.16Å; L236-L704 HydrophobicContact CD1-CD1 3.99Å; L236-L704 HydrophobicContact CD2-CB 4.25Å; L236-L704 HydrophobicContact CD2-CD1 4.27Å; L236-L704 HydrophobicContact CG-CD1 4.43Å; L236-I705 HydrophobicContact CD2-CG1 4.41Å |
| 237 | K | 88.3 | Confident | 85.7 | Confident | 142 Ų | 142 | 60.3 Ų | 60.3 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 175 | -171.9 | -160.5 | 171.7 | -158.9 | 0 | 111.2 | Q233 T234 K235 V240 A241 A701 | Q233-K237 PolarHBondContact O-N 2.87Å; T234-K237 WeakPolarHBondContact O-CB 3.34Å; T234-K237 PolarHBondContact O-N 3.39Å; K235-K237 VanDerWaalsContact C-N 3.32Å; K235-K237 PolarHBondContact O-N 3.2Å; K237-V240 PolarHBondContact O-N 3.06Å; K237-A241 PolarHBondContact O-N 3.2Å; K237-A701 HydrophobicContact CB-CB 4.49Å |
| 238 | D | 90.4 | Very high | 85.9 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | -176.3 | -52.5 | -35 | 0 | 0 | 0 | 111 | T234 K235 A241 E242 | T234-D238 PolarHBondContact O-N 2.87Å; K235-D238 PolarHBondContact O-N 3.23Å; D238-A241 WeakPolarHBondContact O-CB 3.41Å; D238-A241 PolarHBondContact O-N 2.68Å; D238-E242 PolarHBondContact O-N 2.93Å |
| 239 | L | 92.8 | Very high | 86.3 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 173.4 | -69.6 | 162.4 | 0 | 0 | 0 | 112.9 | T223 D226 I227 H230 K235 A241 E242 H243 | T223-L239 HydrophobicContact CG2-CD2 4.46Å; D226-L239 HydrophobicContact CB-CD1 4.13Å; D226-L239 HydrophobicContact CB-CD2 4.06Å; I227-L239 HydrophobicContact CD1-CB 4.46Å; I227-L239 HydrophobicContact CG1-CB 3.75Å; H230-L239 HydrophobicContact CB-CD1 4.23Å; K235-L239 WeakPolarHBondContact O-CB 3.38Å; K235-L239 WeakPolarHBondContact O-CD1 3.37Å; K235-L239 VanDerWaalsContact O-CG 3.28Å; K235-L239 WeakPolarHBondContact O-CG 3.42Å; K235-L239 PolarHBondContact O-N 2.92Å; L239-A241 VanDerWaalsContact C-N 3.35Å; L239-E242 PolarHBondContact O-N 2.98Å; L239-H243 PolarHBondContact O-N 2.87Å |
| 240 | V | 93.4 | Very high | 86.9 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 174.4 | 165.9 | 0 | 0 | 0 | 0 | 111.1 | I227 L236 K237 H243 I244 F309 A701 L704 | I227-V240 HydrophobicContact CD1-CG2 3.98Å; I227-V240 HydrophobicContact CG1-CG2 4.2Å; I227-V240 HydrophobicContact CG2-CG2 4.46Å; L236-V240 HydrophobicContact CD1-CG2 4.45Å; L236-V240 VanDerWaalsContact O-CB 3.32Å; L236-V240 WeakPolarHBondContact O-CB 3.37Å; L236-V240 WeakPolarHBondContact O-CG2 3.44Å; L236-V240 PolarHBondContact O-N 3.5Å; K237-V240 PolarHBondContact O-N 3.06Å; V240-H243 PolarHBondContact O-N 3.32Å; V240-I244 HydrophobicContact CG1-CD1 3.83Å; V240-I244 WeakPolarHBondContact O-CD1 3.45Å; V240-I244 VanDerWaalsContact O-CG1 3.23Å; V240-I244 WeakPolarHBondContact O-CG1 3.38Å; V240-I244 PolarHBondContact O-N 3.16Å; V240-F309 HydrophobicContact CG1-CE1 4.02Å; V240-F309 HydrophobicContact CG1-CZ 4.09Å; V240-F309 HydrophobicContact CG2-CE1 3.78Å; V240-F309 HydrophobicContact CG2-CZ 4.31Å; V240-A701 HydrophobicContact CB-CB 4.42Å; V240-A701 HydrophobicContact CG2-CB 4.2Å; V240-L704 HydrophobicContact CG2-CD1 4.48Å |
| 241 | A | 93.2 | Very high | 88.2 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K237 D238 L239 H243 I244 D245 | K237-A241 PolarHBondContact O-N 3.2Å; D238-A241 WeakPolarHBondContact O-CB 3.41Å; D238-A241 PolarHBondContact O-N 2.68Å; L239-A241 VanDerWaalsContact C-N 3.35Å; A241-H243 PolarHBondContact O-N 2.88Å; A241-I244 PolarHBondContact O-N 3.14Å; A241-D245 PolarHBondContact O-N 3.36Å |
| 242 | E | 93 | Very high | 89.9 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.4 | 173.4 | 145.2 | -136 | 0 | 0 | 112.7 | R182 T223 D238 L239 I244 D245 H246 | R182-E242 IonicContact CZ-OE1 3.15Å; R182-E242 IonicContact CZ-OE2 3.5Å; R182-E242 IonicContact NE-OE1 3.1Å; R182-E242 PolarHBondContact NE-OE1 3.17Å; R182-E242 IonicContact NH2-OE1 3.06Å; R182-E242 PolarHBondContact NH2-OE1 3.03Å; R182-E242 IonicContact NH2-OE2 3.19Å; R182-E242 PolarHBondContact NH2-OE2 3.09Å; T223-E242 HydrophobicContact CG2-CB 4.36Å; T223-E242 HydrophobicContact CG2-CG 4.08Å; D238-E242 PolarHBondContact O-N 2.93Å; L239-E242 PolarHBondContact O-N 2.98Å; E242-I244 VanDerWaalsContact C-N 3.31Å; E242-I244 PolarHBondContact O-N 3.16Å; E242-D245 PolarHBondContact O-N 2.82Å; E242-H246 PolarHBondContact O-CD2 2.99Å; E242-H246 PolarHBondContact O-N 3.4Å; E242-H246 IonicContact OE1-NE2 3.98Å |
| 243 | H | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 174.2 | 175.8 | 56.3 | 0 | 0 | 0 | 112.3 | T223 I227 L239 V240 A241 H246 L247 H313 | T223-H243 HydrophobicContact CG2-CB 4.22Å; I227-H243 HydrophobicContact CD1-CB 3.85Å; L239-H243 PolarHBondContact O-N 2.87Å; V240-H243 PolarHBondContact O-N 3.32Å; A241-H243 PolarHBondContact O-N 2.88Å; H243-H246 WeakPolarHBondContact O-CB 3.49Å; H243-H246 PolarHBondContact O-N 2.76Å; H243-L247 WeakPolarHBondContact O-CG 3.45Å; H243-L247 PolarHBondContact O-N 2.96Å; H243-L247 VanDerWaalsContact O-N 3.07Å; H243-H313 AromaticContact CD2-ND1 3.57Å |
| 244 | I | 95.8 | Very high | 93 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -44.1 | 176.5 | -66.6 | 160.7 | 0 | 0 | 0 | 110.9 | V240 A241 E242 H246 L247 H248 F317 T699 | V240-I244 HydrophobicContact CG1-CD1 3.83Å; V240-I244 WeakPolarHBondContact O-CD1 3.45Å; V240-I244 VanDerWaalsContact O-CG1 3.23Å; V240-I244 WeakPolarHBondContact O-CG1 3.38Å; V240-I244 PolarHBondContact O-N 3.16Å; A241-I244 PolarHBondContact O-N 3.14Å; E242-I244 VanDerWaalsContact C-N 3.31Å; E242-I244 PolarHBondContact O-N 3.16Å; I244-H246 VanDerWaalsContact C-N 3.27Å; I244-H246 PolarHBondContact O-N 3.03Å; I244-L247 PolarHBondContact O-N 3.38Å; I244-L247 VanDerWaalsContact O-N 3.09Å; I244-H248 PolarHBondContact O-CD2 2.92Å; I244-H248 PolarHBondContact O-N 2.82Å; I244-F317 HydrophobicContact CB-CE2 4.45Å; I244-F317 HydrophobicContact CG1-CE2 3.97Å; I244-F317 HydrophobicContact CG1-CZ 4.5Å; I244-F317 HydrophobicContact CG2-CD2 4.44Å; I244-F317 HydrophobicContact CG2-CE2 3.89Å; I244-F317 HydrophobicContact CG2-CZ 3.93Å; I244-T699 HydrophobicContact CD1-CG2 3.63Å |
| 245 | D | 95 | Very high | 94.1 | Very high | 74 Ų | 74 | 37.9 Ų | 37.9 | 40% | 0.396 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.1 | -34.8 | 175.9 | -74.5 | -13.1 | 0 | 0 | 0 | 112.3 | A241 E242 Y249 | A241-D245 PolarHBondContact O-N 3.36Å; E242-D245 PolarHBondContact O-N 2.82Å; D245-Y249 PolarHBondContact O-N 2.91Å; D245-Y249 VanDerWaalsContact O-N 3.08Å |
| 246 | H | 96 | Very high | 94.6 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 170.8 | -88.1 | -73.4 | 0 | 0 | 0 | 112.1 | R186 I220 E242 H243 I244 Y249 I250 | R186-H246 PolarHBondContact NH2-CE1 3.45Å; R186-H246 VanDerWaalsContact NH2-CE1 3.34Å; R186-H246 PolarHBondContact NH2-NE2 3.04Å; I220-H246 HydrophobicContact CD1-CB 4.21Å; I220-H246 HydrophobicContact CG1-CB 3.87Å; I220-H246 WeakPolarHBondContact CG1-ND1 3.45Å; E242-H246 PolarHBondContact O-CD2 2.99Å; E242-H246 PolarHBondContact O-N 3.4Å; E242-H246 IonicContact OE1-NE2 3.98Å; H243-H246 WeakPolarHBondContact O-CB 3.49Å; H243-H246 PolarHBondContact O-N 2.76Å; I244-H246 VanDerWaalsContact C-N 3.27Å; I244-H246 PolarHBondContact O-N 3.03Å; H246-Y249 PolarHBondContact O-N 3.41Å; H246-I250 VanDerWaalsContact O-CG1 3.28Å; H246-I250 WeakPolarHBondContact O-CG1 3.42Å; H246-I250 PolarHBondContact O-N 2.67Å; H246-I250 VanDerWaalsContact O-N 3.08Å |
| 247 | L | 96.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67 | -37.1 | 177.6 | -70.1 | 175.1 | 0 | 0 | 0 | 112.3 | H243 I244 I250 D251 H313 V314 F317 L318 | H243-L247 WeakPolarHBondContact O-CG 3.45Å; H243-L247 PolarHBondContact O-N 2.96Å; H243-L247 VanDerWaalsContact O-N 3.07Å; I244-L247 PolarHBondContact O-N 3.38Å; I244-L247 VanDerWaalsContact O-N 3.09Å; L247-I250 PolarHBondContact O-N 3.23Å; L247-D251 PolarHBondContact O-N 3.03Å; L247-H313 HydrophobicContact CD1-CB 3.59Å; L247-V314 HydrophobicContact CD1-CG2 4.31Å; L247-V314 HydrophobicContact CD2-CG2 3.96Å; L247-F317 HydrophobicContact CB-CB 4.17Å; L247-F317 HydrophobicContact CB-CD2 4.36Å; L247-F317 HydrophobicContact CD1-CD2 4.05Å; L247-L318 HydrophobicContact CB-CD2 4.32Å; L247-L318 HydrophobicContact CD2-CD1 4.16Å; L247-L318 HydrophobicContact CD2-CD2 4.17Å; L247-L318 HydrophobicContact CD2-CG 4.17Å; L247-L318 VanDerWaalsContact O-CD2 3.22Å; L247-L318 WeakPolarHBondContact O-CD2 3.22Å |
| 248 | H | 96.9 | Very high | 95.1 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 172.3 | -78.2 | -48.2 | 0 | 0 | 0 | 112.2 | I244 I250 D251 D252 F317 | I244-H248 PolarHBondContact O-CD2 2.92Å; I244-H248 PolarHBondContact O-N 2.82Å; H248-I250 VanDerWaalsContact C-N 3.27Å; H248-I250 PolarHBondContact O-N 2.88Å; H248-D251 PolarHBondContact O-N 3.14Å; H248-D252 WeakPolarHBondContact O-CB 3.4Å; H248-D252 PolarHBondContact O-N 3Å; H248-F317 AromaticContact CE1-CD1 3.42Å; H248-F317 VanDerWaalsContact CE1-CD1 3.42Å; H248-F317 WeakPolarHBondContact CE1-CD1 3.33Å; H248-F317 AromaticContact CE1-CE1 3.8Å; H248-F317 AromaticContact NE2-CD1 3.93Å; H248-F317 AromaticContact NE2-CE1 3.92Å |
| 249 | Y | 97.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -35.7 | 175.3 | 175.5 | -125.6 | 0 | 0 | 0 | 113 | R186 T189 L190 Y212 L216 D245 H246 L253 | R186-Y249 HydrophobicContact CB-CD2 3.66Å; R186-Y249 HydrophobicContact CB-CE2 3.68Å; R186-Y249 HydrophobicContact CB-CG 4.2Å; R186-Y249 HydrophobicContact CG-CD1 3.86Å; R186-Y249 HydrophobicContact CG-CD2 3.69Å; R186-Y249 HydrophobicContact CG-CE1 3.93Å; R186-Y249 HydrophobicContact CG-CE2 3.79Å; R186-Y249 HydrophobicContact CG-CG 3.72Å; T189-Y249 WeakPolarHBondContact CB-OH 3.47Å; T189-Y249 WeakPolarHBondContact OG1-CE2 3.22Å; T189-Y249 PolarHBondContact OG1-OH 3.4Å; L190-Y249 HydrophobicContact CD1-CD2 4.17Å; L190-Y249 HydrophobicContact CD1-CE2 4.39Å; L190-Y249 HydrophobicContact CG-CD2 4.3Å; L190-Y249 HydrophobicContact CG-CE2 4.07Å; Y212-Y249 PolarHBondContact OH-OH 2.69Å; L216-Y249 HydrophobicContact CD1-CD1 4.29Å; L216-Y249 HydrophobicContact CD1-CE1 4.06Å; L216-Y249 HydrophobicContact CD2-CD1 4.22Å; L216-Y249 HydrophobicContact CD2-CE1 3.71Å; D245-Y249 PolarHBondContact O-N 2.91Å; D245-Y249 VanDerWaalsContact O-N 3.08Å; H246-Y249 PolarHBondContact O-N 3.41Å; Y249-L253 HydrophobicContact CD1-CD1 4.22Å; Y249-L253 HydrophobicContact CD2-CD1 4.33Å; Y249-L253 HydrophobicContact CD2-CG 4.3Å; Y249-L253 HydrophobicContact CE1-CD1 3.81Å; Y249-L253 HydrophobicContact CE2-CD1 3.92Å; Y249-L253 HydrophobicContact CE2-CD2 4.3Å; Y249-L253 HydrophobicContact CE2-CG 3.95Å; Y249-L253 HydrophobicContact CG-CD1 4.47Å; Y249-L253 WeakPolarHBondContact O-CB 3.36Å; Y249-L253 VanDerWaalsContact O-CG 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.34Å; Y249-L253 PolarHBondContact O-N 3.1Å |
| 250 | I | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.4 | -43.4 | 174.7 | -65.3 | -72.7 | 0 | 0 | 0 | 111.6 | L216 I220 H246 L247 H248 L253 L254 L265 L269 L318 | L216-I250 HydrophobicContact CD2-CD1 3.86Å; I220-I250 HydrophobicContact CD1-CD1 4.17Å; I220-I250 HydrophobicContact CD1-CG1 4.07Å; H246-I250 VanDerWaalsContact O-CG1 3.28Å; H246-I250 WeakPolarHBondContact O-CG1 3.42Å; H246-I250 PolarHBondContact O-N 2.67Å; H246-I250 VanDerWaalsContact O-N 3.08Å; L247-I250 PolarHBondContact O-N 3.23Å; H248-I250 VanDerWaalsContact C-N 3.27Å; H248-I250 PolarHBondContact O-N 2.88Å; I250-L253 PolarHBondContact O-N 3.09Å; I250-L254 HydrophobicContact CG2-CD1 3.84Å; I250-L254 WeakPolarHBondContact O-CB 3.35Å; I250-L254 VanDerWaalsContact O-CG 3.26Å; I250-L254 WeakPolarHBondContact O-CG 3.42Å; I250-L254 PolarHBondContact O-N 2.7Å; I250-L265 HydrophobicContact CD1-CD1 3.9Å; I250-L265 HydrophobicContact CD1-CD2 4.21Å; I250-L265 HydrophobicContact CD1-CG 4.49Å; I250-L269 HydrophobicContact CG2-CD1 3.78Å; I250-L318 HydrophobicContact CB-CD2 4.02Å; I250-L318 HydrophobicContact CG2-CD1 4.02Å; I250-L318 HydrophobicContact CG2-CD2 3.76Å |
| 251 | D | 96.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.5 | -36 | 176.9 | -160.2 | 58.9 | 0 | 0 | 0 | 112 | L247 H248 S255 L318 R319 | L247-D251 PolarHBondContact O-N 3.03Å; H248-D251 PolarHBondContact O-N 3.14Å; D251-S255 WeakPolarHBondContact O-CB 3.44Å; D251-S255 PolarHBondContact O-N 2.85Å; D251-S255 PolarHBondContact O-OG 3.39Å; D251-L318 HydrophobicContact CB-CD2 3.95Å; D251-L318 WeakPolarHBondContact OD1-CA 3.2Å; D251-R319 WeakPolarHBondContact OD1-CB 3.39Å; D251-R319 PolarHBondContact OD1-N 2.83Å; D251-R319 IonicContact OD2-NE 3.62Å |
| 252 | D | 97.3 | Very high | 95.4 | Very high | 36 Ų | 36 | 25 Ų | 25 | 19% | 0.193 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 174 | -78.3 | -35.4 | 0 | 0 | 0 | 111.7 | L190 H248 S255 L256 | L190-D252 HydrophobicContact CD1-CB 3.99Å; L190-D252 HydrophobicContact CD2-CB 3.92Å; H248-D252 WeakPolarHBondContact O-CB 3.4Å; H248-D252 PolarHBondContact O-N 3Å; D252-S255 PolarHBondContact O-N 2.91Å; D252-L256 PolarHBondContact O-N 3.44Å |
| 253 | L | 96.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | 174.2 | -80.7 | 170.2 | 0 | 0 | 0 | 111.3 | L190 H193 F213 Y249 I250 S255 L256 L265 | L190-L253 HydrophobicContact CD2-CD2 3.92Å; L190-L253 HydrophobicContact CD2-CG 4.04Å; H193-L253 VanDerWaalsContact ND1-CD2 3.32Å; H193-L253 WeakPolarHBondContact ND1-CD2 3.3Å; F213-L253 HydrophobicContact CE1-CD1 4.32Å; Y249-L253 HydrophobicContact CD1-CD1 4.22Å; Y249-L253 HydrophobicContact CD2-CD1 4.33Å; Y249-L253 HydrophobicContact CD2-CG 4.3Å; Y249-L253 HydrophobicContact CE1-CD1 3.81Å; Y249-L253 HydrophobicContact CE2-CD1 3.92Å; Y249-L253 HydrophobicContact CE2-CD2 4.3Å; Y249-L253 HydrophobicContact CE2-CG 3.95Å; Y249-L253 HydrophobicContact CG-CD1 4.47Å; Y249-L253 WeakPolarHBondContact O-CB 3.36Å; Y249-L253 VanDerWaalsContact O-CG 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.34Å; Y249-L253 PolarHBondContact O-N 3.1Å; I250-L253 PolarHBondContact O-N 3.09Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 3.29Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 PolarHBondContact O-N 3.46Å; L253-L265 HydrophobicContact CB-CD2 4.04Å; L253-L265 HydrophobicContact CD1-CD2 4.12Å |
| 254 | L | 96.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | 179.3 | -67.5 | 168.3 | 0 | 0 | 0 | 111.6 | I250 L256 G257 N262 L265 D320 L323 | I250-L254 HydrophobicContact CG2-CD1 3.84Å; I250-L254 WeakPolarHBondContact O-CB 3.35Å; I250-L254 VanDerWaalsContact O-CG 3.26Å; I250-L254 WeakPolarHBondContact O-CG 3.42Å; I250-L254 PolarHBondContact O-N 2.7Å; L254-L256 PolarHBondContact O-N 2.8Å; L254-G257 PolarHBondContact O-N 3.3Å; L254-G257 VanDerWaalsContact O-N 3.09Å; L254-N262 HydrophobicContact CD2-CB 3.86Å; L254-N262 PolarHBondContact O-ND2 3.47Å; L254-L265 HydrophobicContact CD2-CB 4.49Å; L254-L265 HydrophobicContact CD2-CD2 3.99Å; L254-L265 HydrophobicContact CD2-CG 4.4Å; L254-L265 HydrophobicContact CG-CD2 4.09Å; L254-D320 HydrophobicContact CB-CB 4.44Å; L254-D320 HydrophobicContact CD1-CB 3.94Å; L254-L323 HydrophobicContact CD1-CD2 4.11Å |
| 255 | S | 95.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 22.1 Ų | 22.1 | 57% | 0.566 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -68.4 | -11 | 178.1 | -69.3 | 0 | 0 | 0 | 0 | 114.7 | D251 D252 L253 G257 | D251-S255 WeakPolarHBondContact O-CB 3.44Å; D251-S255 PolarHBondContact O-N 2.85Å; D251-S255 PolarHBondContact O-OG 3.39Å; D252-S255 PolarHBondContact O-N 2.91Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 3.29Å; S255-G257 PolarHBondContact O-N 3.07Å |
| 256 | L | 94 | Very high | 95.8 | Very high | 42 Ų | 42 | 18.6 Ų | 18.6 | 22% | 0.22 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.6 | 168.8 | -62.3 | 179.5 | 0 | 0 | 0 | 112.4 | L190 H193 K194 D252 L253 L254 I258 | L190-L256 HydrophobicContact CD2-CD1 4.2Å; H193-L256 HydrophobicContact CB-CD1 3.39Å; K194-L256 HydrophobicContact CB-CD2 4.14Å; D252-L256 PolarHBondContact O-N 3.44Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 PolarHBondContact O-N 3.46Å; L254-L256 PolarHBondContact O-N 2.8Å; L256-I258 HydrophobicContact CB-CD1 4.04Å; L256-I258 HydrophobicContact CB-CG1 4.24Å; L256-I258 HydrophobicContact CD1-CD1 4.37Å |
| 257 | G | 92.6 | Very high | 95.8 | Very high | 59 Ų | 59 | 18.5 Ų | 18.5 | 61% | 0.608 | 12% | 0.115 | S | C | * | . | trans | 72.4 | 32.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L254 S255 E259 | L254-G257 PolarHBondContact O-N 3.3Å; L254-G257 VanDerWaalsContact O-N 3.09Å; S255-G257 PolarHBondContact O-N 3.07Å; G257-E259 PolarHBondContact O-N 2.92Å | ||
| 258 | I | 94.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.036 | 12% | 0.115 | C | C | . | . | trans | -92.1 | 98.7 | -178.9 | -58.3 | 164.9 | 0 | 0 | 0 | 108 | H193 L201 L256 G260 L261 N262 L464 | H193-I258 HydrophobicContact CB-CD1 4.18Å; H193-I258 WeakPolarHBondContact O-CD1 3.33Å; L201-I258 HydrophobicContact CD1-CD1 4.39Å; L201-I258 HydrophobicContact CD2-CD1 3.97Å; L256-I258 HydrophobicContact CB-CD1 4.04Å; L256-I258 HydrophobicContact CB-CG1 4.24Å; L256-I258 HydrophobicContact CD1-CD1 4.37Å; I258-G260 PolarHBondContact O-N 3.14Å; I258-L261 HydrophobicContact CB-CB 4.2Å; I258-L261 HydrophobicContact CB-CD1 4.36Å; I258-L261 HydrophobicContact CB-CG 4.44Å; I258-L261 HydrophobicContact CD1-CD1 4.08Å; I258-L261 HydrophobicContact CG2-CB 3.95Å; I258-L261 HydrophobicContact CG2-CD1 3.87Å; I258-L261 HydrophobicContact CG2-CG 3.75Å; I258-L261 PolarHBondContact O-N 3.32Å; I258-N262 PolarHBondContact O-N 3.08Å; I258-N262 PolarHBondContact O-OD1 3.3Å; I258-L464 HydrophobicContact CG2-CD2 4.34Å | ||
| 259 | E | 92.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 16.3 Ų | 16.3 | 24% | 0.238 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -46.5 | -54 | -166.5 | -165.9 | 179.9 | 123.5 | 0 | 0 | 113.1 | G257 N262 E263 R402 K463 | G257-E259 PolarHBondContact O-N 2.92Å; E259-N262 PolarHBondContact O-N 3.13Å; E259-E263 VanDerWaalsContact O-CG 3.23Å; E259-E263 WeakPolarHBondContact O-CG 3.26Å; E259-E263 PolarHBondContact O-N 3.37Å; E259-R402 IonicContact OE1-CZ 3.25Å; E259-R402 IonicContact OE1-NE 3.41Å; E259-R402 IonicContact OE1-NH1 2.74Å; E259-R402 IonicContact OE1-NH2 3.68Å; E259-R402 PolarHBondContact OE1-NH2 3.39Å; E259-K463 HydrophobicContact CB-CB 4.32Å; E259-K463 IonicContact OE1-NZ 3.29Å; E259-K463 PolarHBondContact OE1-NZ 3.39Å; E259-K463 IonicContact OE2-NZ 3.51Å; E259-K463 PolarHBondContact OE2-NZ 3.23Å |
| 260 | G | 92.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.1 | -35 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I258 E263 V264 K463 | I258-G260 PolarHBondContact O-N 3.14Å; G260-E263 PolarHBondContact O-N 3.23Å; G260-V264 WeakPolarHBondContact O-CG2 3.32Å; G260-V264 PolarHBondContact O-N 3.34Å; G260-V264 VanDerWaalsContact O-N 3.16Å; G260-K463 PolarHBondContact N-O 3.16Å |
| 261 | L | 95.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.6 | -39 | 176.3 | -66.6 | -176.4 | 0 | 0 | 0 | 111.3 | L201 I204 H205 I258 E263 V264 L265 | L201-L261 HydrophobicContact CD2-CD1 4.13Å; I204-L261 HydrophobicContact CG2-CD1 4.13Å; I204-L261 HydrophobicContact CG2-CD2 4.04Å; H205-L261 HydrophobicContact CB-CD2 3.91Å; I258-L261 HydrophobicContact CB-CB 4.2Å; I258-L261 HydrophobicContact CB-CD1 4.36Å; I258-L261 HydrophobicContact CB-CG 4.44Å; I258-L261 HydrophobicContact CD1-CD1 4.08Å; I258-L261 HydrophobicContact CG2-CB 3.95Å; I258-L261 HydrophobicContact CG2-CD1 3.87Å; I258-L261 HydrophobicContact CG2-CG 3.75Å; I258-L261 PolarHBondContact O-N 3.32Å; L261-E263 VanDerWaalsContact C-N 3.28Å; L261-E263 PolarHBondContact O-N 3.13Å; L261-V264 PolarHBondContact O-N 3.47Å; L261-L265 WeakPolarHBondContact O-CB 3.21Å; L261-L265 PolarHBondContact O-N 3.28Å |
| 262 | N | 95.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 6% | 0.064 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | 172.3 | -70.7 | 28.2 | 0 | 0 | 0 | 111 | L254 I258 E259 L265 C266 | L254-N262 HydrophobicContact CD2-CB 3.86Å; L254-N262 PolarHBondContact O-ND2 3.47Å; I258-N262 PolarHBondContact O-N 3.08Å; I258-N262 PolarHBondContact O-OD1 3.3Å; E259-N262 PolarHBondContact O-N 3.13Å; N262-L265 PolarHBondContact O-N 3.08Å; N262-C266 VanDerWaalsContact O-CB 3.26Å; N262-C266 WeakPolarHBondContact O-CB 3.46Å; N262-C266 PolarHBondContact O-N 2.88Å; N262-C266 PolarHBondContact O-SG 3.25Å |
| 263 | E | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.3 | -50.3 | 175.6 | -78.3 | 166 | 166.3 | 0 | 0 | 111.9 | E259 G260 L261 L265 D267 R322 T398 L401 R402 | E259-E263 VanDerWaalsContact O-CG 3.23Å; E259-E263 WeakPolarHBondContact O-CG 3.26Å; E259-E263 PolarHBondContact O-N 3.37Å; G260-E263 PolarHBondContact O-N 3.23Å; L261-E263 VanDerWaalsContact C-N 3.28Å; L261-E263 PolarHBondContact O-N 3.13Å; E263-L265 PolarHBondContact O-N 3.03Å; E263-D267 WeakPolarHBondContact O-CB 3.43Å; E263-D267 PolarHBondContact O-N 3.27Å; E263-R322 IonicContact OE1-NH1 2.7Å; E263-R322 PolarHBondContact OE1-NH1 2.81Å; E263-T398 WeakPolarHBondContact OE2-CG2 3.48Å; E263-L401 HydrophobicContact CB-CD1 4.1Å; E263-L401 HydrophobicContact CG-CB 4.49Å; E263-L401 HydrophobicContact CG-CD1 4.21Å; E263-L401 WeakPolarHBondContact O-CD1 3.44Å; E263-R402 WeakPolarHBondContact OE1-CG 3.26Å; E263-R402 IonicContact OE1-CZ 2.81Å; E263-R402 IonicContact OE1-NE 2.64Å; E263-R402 PolarHBondContact OE1-NE 2.68Å; E263-R402 IonicContact OE1-NH2 3.52Å; E263-R402 PolarHBondContact OE1-NH2 3.46Å; E263-R402 IonicContact OE2-CZ 3.09Å; E263-R402 IonicContact OE2-NE 2.78Å; E263-R402 PolarHBondContact OE2-NE 2.86Å; E263-R402 IonicContact OE2-NH2 2.75Å; E263-R402 PolarHBondContact OE2-NH2 3.21Å |
| 264 | V | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 176.5 | -175 | 0 | 0 | 0 | 0 | 111.5 | L210 F213 G260 L261 Q268 L394 | L210-V264 HydrophobicContact CB-CG1 4.37Å; L210-V264 HydrophobicContact CD1-CG1 4.33Å; F213-V264 HydrophobicContact CD2-CB 4.33Å; F213-V264 HydrophobicContact CD2-CG1 4.07Å; G260-V264 WeakPolarHBondContact O-CG2 3.32Å; G260-V264 PolarHBondContact O-N 3.34Å; G260-V264 VanDerWaalsContact O-N 3.16Å; L261-V264 PolarHBondContact O-N 3.47Å; V264-Q268 HydrophobicContact CG1-CG 4.4Å; V264-Q268 VanDerWaalsContact O-CG 3.28Å; V264-Q268 WeakPolarHBondContact O-CG 3.16Å; V264-Q268 PolarHBondContact O-N 3.31Å; V264-L394 HydrophobicContact CB-CD2 4.49Å; V264-L394 HydrophobicContact CG1-CD2 4.04Å; V264-L394 HydrophobicContact CG2-CD2 3.55Å |
| 265 | L | 97.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67 | -45.7 | -178.9 | -176 | 54.8 | 0 | 0 | 0 | 112.6 | F213 I250 L253 L254 L261 N262 E263 Q268 L269 | F213-L265 HydrophobicContact CB-CD1 4.07Å; F213-L265 HydrophobicContact CD1-CD1 3.86Å; F213-L265 HydrophobicContact CD2-CB 3.88Å; F213-L265 HydrophobicContact CD2-CD1 4.08Å; F213-L265 HydrophobicContact CE1-CD1 4.28Å; F213-L265 HydrophobicContact CE2-CB 3.82Å; F213-L265 HydrophobicContact CE2-CD1 4.48Å; F213-L265 HydrophobicContact CG-CB 4.44Å; F213-L265 HydrophobicContact CG-CD1 3.75Å; F213-L265 HydrophobicContact CZ-CB 4.32Å; I250-L265 HydrophobicContact CD1-CD1 3.9Å; I250-L265 HydrophobicContact CD1-CD2 4.21Å; I250-L265 HydrophobicContact CD1-CG 4.49Å; L253-L265 HydrophobicContact CB-CD2 4.04Å; L253-L265 HydrophobicContact CD1-CD2 4.12Å; L254-L265 HydrophobicContact CD2-CB 4.49Å; L254-L265 HydrophobicContact CD2-CD2 3.99Å; L254-L265 HydrophobicContact CD2-CG 4.4Å; L254-L265 HydrophobicContact CG-CD2 4.09Å; L261-L265 WeakPolarHBondContact O-CB 3.21Å; L261-L265 PolarHBondContact O-N 3.28Å; N262-L265 PolarHBondContact O-N 3.08Å; E263-L265 PolarHBondContact O-N 3.03Å; L265-Q268 PolarHBondContact O-N 3.38Å; L265-L269 HydrophobicContact CD1-CD1 4.15Å; L265-L269 HydrophobicContact CD1-CG 4.34Å; L265-L269 HydrophobicContact CG-CD1 3.98Å; L265-L269 WeakPolarHBondContact O-CB 3.28Å; L265-L269 VanDerWaalsContact O-CG 3.31Å; L265-L269 WeakPolarHBondContact O-CG 3.22Å; L265-L269 PolarHBondContact O-N 2.84Å |
| 266 | C | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 178.3 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | N262 L270 L323 L401 | N262-C266 VanDerWaalsContact O-CB 3.26Å; N262-C266 WeakPolarHBondContact O-CB 3.46Å; N262-C266 PolarHBondContact O-N 2.88Å; N262-C266 PolarHBondContact O-SG 3.25Å; C266-L270 WeakPolarHBondContact O-CB 3.5Å; C266-L270 WeakPolarHBondContact O-CG 3.06Å; C266-L270 PolarHBondContact O-N 3.19Å; C266-L323 HydrophobicContact CB-CB 4.46Å; C266-L323 HydrophobicContact CB-CD1 4.34Å; C266-L401 HydrophobicContact CB-CD1 3.87Å |
| 267 | D | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.9 | -52.2 | 171.7 | 174.4 | 95.5 | 0 | 0 | 0 | 111.2 | E263 L269 L270 R271 A397 L401 Y416 | E263-D267 WeakPolarHBondContact O-CB 3.43Å; E263-D267 PolarHBondContact O-N 3.27Å; D267-L269 VanDerWaalsContact C-N 3.32Å; D267-L269 PolarHBondContact O-N 3.27Å; D267-L270 PolarHBondContact O-N 3.29Å; D267-R271 WeakPolarHBondContact O-CB 3.38Å; D267-R271 PolarHBondContact O-N 3.43Å; D267-R271 IonicContact OD1-CZ 3.6Å; D267-R271 VanDerWaalsContact OD1-CZ 3.31Å; D267-R271 IonicContact OD1-NE 3.78Å; D267-R271 PolarHBondContact OD1-NE 3.34Å; D267-R271 IonicContact OD1-NH2 3.36Å; D267-R271 PolarHBondContact OD1-NH2 3.37Å; D267-R271 IonicContact OD2-CZ 2.77Å; D267-R271 IonicContact OD2-NE 2.74Å; D267-R271 PolarHBondContact OD2-NE 2.82Å; D267-R271 IonicContact OD2-NH2 2.82Å; D267-A397 HydrophobicContact CB-CB 3.49Å; D267-A397 VanDerWaalsContact CB-CB 3.49Å; D267-A397 VanDerWaalsContact CG-CB 3.45Å; D267-A397 WeakPolarHBondContact OD1-CA 3.26Å; D267-L401 HydrophobicContact CB-CD1 4.36Å; D267-Y416 PolarHBondContact O-OH 3.06Å |
| 268 | Q | 95.7 | Very high | 93.5 | Very high | 6 Ų | 6 | 6.4 Ų | 6.4 | 3% | 0.028 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | -178.1 | -68.5 | -59.4 | -76.1 | 0 | 0 | 112.2 | L210 F213 V217 V264 L265 R272 | L210-Q268 HydrophobicContact CD1-CG 4.18Å; F213-Q268 HydrophobicContact CB-CB 4.41Å; F213-Q268 HydrophobicContact CB-CG 4.31Å; V217-Q268 HydrophobicContact CG2-CB 4.26Å; V264-Q268 HydrophobicContact CG1-CG 4.4Å; V264-Q268 VanDerWaalsContact O-CG 3.28Å; V264-Q268 WeakPolarHBondContact O-CG 3.16Å; V264-Q268 PolarHBondContact O-N 3.31Å; L265-Q268 PolarHBondContact O-N 3.38Å; Q268-R272 WeakPolarHBondContact O-CB 3.3Å; Q268-R272 PolarHBondContact O-N 3.45Å |
| 269 | L | 96.7 | Very high | 93 | Very high | 3 Ų | 3 | 6.2 Ų | 6.2 | 2% | 0.016 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 174 | -76.6 | 165.4 | 0 | 0 | 0 | 112.1 | V217 I250 L265 D267 L273 F274 L323 | V217-L269 HydrophobicContact CG2-CD2 3.85Å; V217-L269 HydrophobicContact CG2-CG 4.07Å; I250-L269 HydrophobicContact CG2-CD1 3.78Å; L265-L269 HydrophobicContact CD1-CD1 4.15Å; L265-L269 HydrophobicContact CD1-CG 4.34Å; L265-L269 HydrophobicContact CG-CD1 3.98Å; L265-L269 WeakPolarHBondContact O-CB 3.28Å; L265-L269 VanDerWaalsContact O-CG 3.31Å; L265-L269 WeakPolarHBondContact O-CG 3.22Å; L265-L269 PolarHBondContact O-N 2.84Å; D267-L269 VanDerWaalsContact C-N 3.32Å; D267-L269 PolarHBondContact O-N 3.27Å; L269-L273 HydrophobicContact CD2-CD2 4.36Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 PolarHBondContact O-N 3.5Å; L269-F274 HydrophobicContact CB-CD2 3.98Å; L269-F274 HydrophobicContact CB-CE2 3.78Å; L269-F274 HydrophobicContact CD2-CE2 4.05Å; L269-F274 HydrophobicContact CD2-CZ 4.14Å; L269-F274 HydrophobicContact CG-CE2 4.34Å; L269-F274 PolarHBondContact O-N 3.49Å; L269-L323 HydrophobicContact CB-CD1 4.2Å; L269-L323 HydrophobicContact CD1-CD2 3.85Å |
| 270 | L | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 5.1 Ų | 5.1 | 1% | 0.01 | 2% | 0.023 | C | C | . | . | I | π-helix | trans | -67.3 | -55.9 | 178.8 | -72.3 | 167.4 | 0 | 0 | 0 | 111.8 | C266 D267 R272 I275 P276 L323 L326 L401 Y416 | C266-L270 WeakPolarHBondContact O-CB 3.5Å; C266-L270 WeakPolarHBondContact O-CG 3.06Å; C266-L270 PolarHBondContact O-N 3.19Å; D267-L270 PolarHBondContact O-N 3.29Å; L270-R272 PolarHBondContact O-N 2.97Å; L270-I275 HydrophobicContact CB-CD1 4.23Å; L270-I275 VanDerWaalsContact O-CB 3.3Å; L270-I275 WeakPolarHBondContact O-CB 3.35Å; L270-I275 WeakPolarHBondContact O-CG1 3.34Å; L270-I275 PolarHBondContact O-N 2.83Å; L270-P276 WeakPolarHBondContact O-CD 3.15Å; L270-L323 HydrophobicContact CD1-CD1 4.23Å; L270-L323 HydrophobicContact CD2-CD1 4Å; L270-L323 HydrophobicContact CG-CD1 3.73Å; L270-L326 HydrophobicContact CD1-CB 4.09Å; L270-L326 HydrophobicContact CD1-CD1 3.6Å; L270-L326 HydrophobicContact CD1-CG 4.46Å; L270-L326 HydrophobicContact CD2-CB 4.26Å; L270-L401 HydrophobicContact CD1-CD2 4.2Å; L270-Y416 HydrophobicContact CB-CE1 4.2Å; L270-Y416 WeakPolarHBondContact CB-OH 3.33Å; L270-Y416 HydrophobicContact CD1-CD2 4.49Å; L270-Y416 HydrophobicContact CD1-CE1 4.43Å; L270-Y416 HydrophobicContact CD1-CE2 4.08Å |
| 271 | R | 90.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 5.7 Ų | 5.7 | 2% | 0.023 | 3% | 0.027 | C | C | . | . | I | π-helix | trans | -62.8 | -40.8 | -173 | -174.8 | -168.9 | -65.4 | -89.7 | 1.6 | 113.1 | D267 P276 S420 N425 L427 | D267-R271 WeakPolarHBondContact O-CB 3.38Å; D267-R271 PolarHBondContact O-N 3.43Å; D267-R271 IonicContact OD1-CZ 3.6Å; D267-R271 VanDerWaalsContact OD1-CZ 3.31Å; D267-R271 IonicContact OD1-NE 3.78Å; D267-R271 PolarHBondContact OD1-NE 3.34Å; D267-R271 IonicContact OD1-NH2 3.36Å; D267-R271 PolarHBondContact OD1-NH2 3.37Å; D267-R271 IonicContact OD2-CZ 2.77Å; D267-R271 IonicContact OD2-NE 2.74Å; D267-R271 PolarHBondContact OD2-NE 2.82Å; D267-R271 IonicContact OD2-NH2 2.82Å; R271-P276 WeakPolarHBondContact O-CD 3.2Å; R271-P276 WeakPolarHBondContact O-CG 3.04Å; R271-S420 PolarHBondContact NH1-O 3.02Å; R271-N425 PolarHBondContact NH1-O 3.02Å; R271-L427 HydrophobicContact CB-CD2 4.34Å; R271-L427 HydrophobicContact CG-CD2 4.09Å |
| 272 | R | 91.5 | Very high | 91.4 | Very high | 25 Ų | 25 | 5.5 Ų | 5.5 | 9% | 0.094 | 3% | 0.026 | C | C | . | . | I | π-helix | trans | -112.3 | -11 | -169 | -56.5 | -176 | 72.9 | -105.6 | 3 | 115 | S214 V217 Q268 L270 P276 F429 S430 | S214-R272 PolarHBondContact O-NH1 3.15Å; V217-R272 HydrophobicContact CG1-CB 4.28Å; Q268-R272 WeakPolarHBondContact O-CB 3.3Å; Q268-R272 PolarHBondContact O-N 3.45Å; L270-R272 PolarHBondContact O-N 2.97Å; R272-P276 VanDerWaalsContact C-CG 3.44Å; R272-F429 VanDerWaalsContact O-CD2 3.22Å; R272-F429 WeakPolarHBondContact O-CD2 3.5Å; R272-S430 PolarHBondContact NH2-O 3.22Å |
| 273 | L | 93.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 3% | 0.029 | C | C | . | . | I | π-helix | trans | -131.1 | -59 | 178.7 | 176.7 | 67.4 | 0 | 0 | 0 | 114.3 | V217 I220 I224 L269 L277 H278 F429 | V217-L273 HydrophobicContact CG1-CB 3.46Å; V217-L273 VanDerWaalsContact CG1-CB 3.46Å; V217-L273 HydrophobicContact CG1-CD2 4.24Å; V217-L273 HydrophobicContact CG1-CG 4.43Å; I220-L273 HydrophobicContact CB-CD2 4.38Å; I220-L273 HydrophobicContact CG2-CD2 3.79Å; I224-L273 HydrophobicContact CD1-CD1 4.49Å; L269-L273 HydrophobicContact CD2-CD2 4.36Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 PolarHBondContact O-N 3.5Å; L273-L277 HydrophobicContact CD1-CB 4.4Å; L273-L277 HydrophobicContact CD1-CD2 3.84Å; L273-L277 VanDerWaalsContact O-CB 3.23Å; L273-L277 WeakPolarHBondContact O-CB 3.03Å; L273-L277 PolarHBondContact O-N 2.99Å; L273-L277 VanDerWaalsContact O-N 3.07Å; L273-H278 PolarHBondContact O-N 2.95Å; L273-H278 PolarHBondContact O-ND1 2.88Å; L273-F429 HydrophobicContact CD1-CD2 4.16Å; L273-F429 HydrophobicContact CD1-CE2 3.91Å |
| 274 | F | 92.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 11.5 Ų | 11.5 | 1% | 0.013 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -70.3 | -48.9 | -171.2 | -64.3 | -42.4 | 0 | 0 | 0 | 112.1 | L269 H278 I279 V314 L318 L323 L327 | L269-F274 HydrophobicContact CB-CD2 3.98Å; L269-F274 HydrophobicContact CB-CE2 3.78Å; L269-F274 HydrophobicContact CD2-CE2 4.05Å; L269-F274 HydrophobicContact CD2-CZ 4.14Å; L269-F274 HydrophobicContact CG-CE2 4.34Å; L269-F274 PolarHBondContact O-N 3.49Å; F274-H278 AromaticContact CD1-ND1 3.76Å; F274-H278 WeakPolarHBondContact O-CA 3.39Å; F274-H278 WeakPolarHBondContact O-CB 3.47Å; F274-H278 PolarHBondContact O-N 3.02Å; F274-H278 VanDerWaalsContact O-N 3.14Å; F274-I279 WeakPolarHBondContact O-CG1 3.37Å; F274-I279 PolarHBondContact O-N 2.66Å; F274-V314 HydrophobicContact CE1-CG1 4.39Å; F274-V314 HydrophobicContact CE1-CG2 3.6Å; F274-V314 HydrophobicContact CZ-CG1 4.09Å; F274-V314 HydrophobicContact CZ-CG2 3.83Å; F274-L318 HydrophobicContact CZ-CD1 4.22Å; F274-L323 HydrophobicContact CD2-CD1 4.09Å; F274-L323 HydrophobicContact CE2-CD1 4.02Å; F274-L323 HydrophobicContact CE2-CD2 4.32Å; F274-L323 HydrophobicContact CE2-CG 4.43Å; F274-L327 HydrophobicContact CB-CD1 3.83Å; F274-L327 HydrophobicContact CG-CD1 4.2Å |
| 275 | I | 88.6 | Confident | 86 | Confident | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -68.1 | -55.1 | 177.9 | -59 | 170.7 | 0 | 0 | 0 | 111.8 | L270 Y280 L338 L413 Y416 L417 L427 | L270-I275 HydrophobicContact CB-CD1 4.23Å; L270-I275 VanDerWaalsContact O-CB 3.3Å; L270-I275 WeakPolarHBondContact O-CB 3.35Å; L270-I275 WeakPolarHBondContact O-CG1 3.34Å; L270-I275 PolarHBondContact O-N 2.83Å; I275-Y280 PolarHBondContact O-N 3.47Å; I275-L338 HydrophobicContact CG2-CD2 3.96Å; I275-L413 HydrophobicContact CD1-CD1 4.49Å; I275-Y416 HydrophobicContact CD1-CE1 3.93Å; I275-L417 HydrophobicContact CD1-CD2 4.42Å; I275-L427 HydrophobicContact CD1-CD2 4.26Å; I275-L427 HydrophobicContact CG2-CD1 4.17Å; I275-L427 HydrophobicContact CG2-CD2 4.48Å |
| 276 | P | 87.3 | Confident | 83.2 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 4% | 0.039 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -78.4 | -21.4 | -171.5 | 31.8 | -38.6 | 0 | 0 | 0 | 115.3 | L270 R271 R272 Y280 F429 | L270-P276 WeakPolarHBondContact O-CD 3.15Å; R271-P276 WeakPolarHBondContact O-CD 3.2Å; R271-P276 WeakPolarHBondContact O-CG 3.04Å; R272-P276 VanDerWaalsContact C-CG 3.44Å; P276-Y280 VanDerWaalsContact O-CB 3.22Å; P276-Y280 WeakPolarHBondContact O-CB 3.24Å; P276-F429 HydrophobicContact CB-CB 4.19Å; P276-F429 HydrophobicContact CG-CB 4.14Å |
| 277 | L | 89.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -105.5 | -56.5 | 176.9 | -170 | 68.8 | 0 | 0 | 0 | 111.9 | L225 L273 S281 P300 L302 F429 | L225-L277 HydrophobicContact CD2-CD1 4.44Å; L273-L277 HydrophobicContact CD1-CB 4.4Å; L273-L277 HydrophobicContact CD1-CD2 3.84Å; L273-L277 VanDerWaalsContact O-CB 3.23Å; L273-L277 WeakPolarHBondContact O-CB 3.03Å; L273-L277 PolarHBondContact O-N 2.99Å; L273-L277 VanDerWaalsContact O-N 3.07Å; L277-S281 VanDerWaalsContact O-CB 3.23Å; L277-S281 WeakPolarHBondContact O-CB 3.25Å; L277-S281 PolarHBondContact O-N 2.99Å; L277-S281 VanDerWaalsContact O-N 3.13Å; L277-S281 PolarHBondContact O-OG 3.44Å; L277-P300 HydrophobicContact CD1-CB 4.05Å; L277-P300 HydrophobicContact CD1-CG 4.28Å; L277-L302 HydrophobicContact CD1-CG 4.15Å; L277-L302 HydrophobicContact CD2-CD1 4.01Å; L277-L302 HydrophobicContact CD2-CG 4.35Å; L277-L302 HydrophobicContact CG-CD1 3.88Å; L277-L302 HydrophobicContact CG-CG 4.07Å; L277-F429 HydrophobicContact CB-CB 4.32Å; L277-F429 HydrophobicContact CB-CD2 4.1Å; L277-F429 HydrophobicContact CB-CG 4.19Å; L277-F429 HydrophobicContact CD1-CD1 4.36Å; L277-F429 HydrophobicContact CD1-CG 4.37Å; L277-F429 HydrophobicContact CD2-CD2 4.15Å; L277-F429 HydrophobicContact CD2-CE2 4.14Å; L277-F429 HydrophobicContact CD2-CG 4.49Å; L277-F429 HydrophobicContact CD2-CZ 4.39Å |
| 278 | H | 89.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -73.9 | -63.6 | -173.8 | -65.1 | 77.6 | 0 | 0 | 0 | 111.8 | L273 F274 Y280 S281 L282 T307 T310 L311 | L273-H278 PolarHBondContact O-N 2.95Å; L273-H278 PolarHBondContact O-ND1 2.88Å; F274-H278 AromaticContact CD1-ND1 3.76Å; F274-H278 WeakPolarHBondContact O-CA 3.39Å; F274-H278 WeakPolarHBondContact O-CB 3.47Å; F274-H278 PolarHBondContact O-N 3.02Å; F274-H278 VanDerWaalsContact O-N 3.14Å; H278-Y280 VanDerWaalsContact C-N 3.25Å; H278-Y280 PolarHBondContact O-N 3.12Å; H278-S281 PolarHBondContact O-N 3.25Å; H278-L282 WeakPolarHBondContact O-CG 3.28Å; H278-L282 PolarHBondContact O-N 3.47Å; H278-L282 VanDerWaalsContact O-N 3.13Å; H278-T307 HydrophobicContact CB-CG2 4.21Å; H278-T307 WeakPolarHBondContact O-CG2 3.26Å; H278-T310 PolarHBondContact CD2-OG1 2.95Å; H278-T310 PolarHBondContact NE2-OG1 3.24Å; H278-L311 HydrophobicContact CB-CD2 4.25Å; H278-L311 HydrophobicContact CB-CG 4.43Å |
| 279 | I | 85.2 | Confident | 74.6 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -57.4 | -40.7 | -178.4 | -58.4 | -59.4 | 0 | 0 | 0 | 110.8 | F274 S281 L282 F283 L327 A330 I331 L338 | F274-I279 WeakPolarHBondContact O-CG1 3.37Å; F274-I279 PolarHBondContact O-N 2.66Å; I279-S281 PolarHBondContact O-N 3.43Å; I279-L282 HydrophobicContact CD1-CD1 4.15Å; I279-L282 WeakPolarHBondContact O-CB 3.47Å; I279-L282 PolarHBondContact O-N 3.43Å; I279-F283 HydrophobicContact CG2-CE2 3.91Å; I279-F283 WeakPolarHBondContact O-CD2 3.3Å; I279-L327 HydrophobicContact CD1-CD1 4.05Å; I279-L327 HydrophobicContact CG1-CD1 4.38Å; I279-A330 HydrophobicContact CD1-CB 3.96Å; I279-A330 HydrophobicContact CG1-CB 4.04Å; I279-I331 HydrophobicContact CD1-CD1 4.36Å; I279-I331 HydrophobicContact CD1-CG1 3.6Å; I279-L338 HydrophobicContact CG2-CD1 4.43Å |
| 280 | Y | 81.6 | Confident | 71.6 | Confident | 28 Ų | 28 | 45.5 Ų | 45.5 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 173.2 | -172.5 | -114.8 | 0 | 0 | 0 | 113.7 | I275 P276 H278 L282 F283 R299 R301 I342 | I275-Y280 PolarHBondContact O-N 3.47Å; P276-Y280 VanDerWaalsContact O-CB 3.22Å; P276-Y280 WeakPolarHBondContact O-CB 3.24Å; H278-Y280 VanDerWaalsContact C-N 3.25Å; H278-Y280 PolarHBondContact O-N 3.12Å; Y280-L282 VanDerWaalsContact C-N 3.29Å; Y280-L282 PolarHBondContact O-N 3.03Å; Y280-F283 PolarHBondContact O-N 3.47Å; Y280-R299 HydrophobicContact CE1-CB 4.09Å; Y280-R301 HydrophobicContact CD1-CG 4.02Å; Y280-R301 HydrophobicContact CE1-CG 3.72Å; Y280-R301 PolarHBondContact OH-NH2 3.5Å; Y280-I342 HydrophobicContact CD2-CD1 3.66Å; Y280-I342 HydrophobicContact CG-CD1 4.05Å |
| 281 | S | 84.7 | Confident | 68.7 | Low | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.1 | -22 | 179.8 | -59 | 0 | 0 | 0 | 0 | 113.3 | L277 H278 I279 F283 R301 L302 T307 | L277-S281 VanDerWaalsContact O-CB 3.23Å; L277-S281 WeakPolarHBondContact O-CB 3.25Å; L277-S281 PolarHBondContact O-N 2.99Å; L277-S281 VanDerWaalsContact O-N 3.13Å; L277-S281 PolarHBondContact O-OG 3.44Å; H278-S281 PolarHBondContact O-N 3.25Å; I279-S281 PolarHBondContact O-N 3.43Å; S281-F283 VanDerWaalsContact C-N 3.31Å; S281-F283 PolarHBondContact O-N 2.97Å; S281-R301 WeakPolarHBondContact OG-CA 3.43Å; S281-L302 PolarHBondContact OG-N 3.49Å; S281-T307 WeakPolarHBondContact CB-OG1 3.44Å |
| 282 | L | 79.7 | Confident | 66.1 | Low | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.7 | -23.2 | 174.9 | -64.7 | 179.8 | 0 | 0 | 0 | 113.7 | H278 I279 Y280 K284 T307 V308 L311 I331 F545 | H278-L282 WeakPolarHBondContact O-CG 3.28Å; H278-L282 PolarHBondContact O-N 3.47Å; H278-L282 VanDerWaalsContact O-N 3.13Å; I279-L282 HydrophobicContact CD1-CD1 4.15Å; I279-L282 WeakPolarHBondContact O-CB 3.47Å; I279-L282 PolarHBondContact O-N 3.43Å; Y280-L282 VanDerWaalsContact C-N 3.29Å; Y280-L282 PolarHBondContact O-N 3.03Å; L282-K284 PolarHBondContact O-N 3.42Å; L282-T307 HydrophobicContact CD2-CG2 3.48Å; L282-T307 VanDerWaalsContact CD2-CG2 3.48Å; L282-T307 HydrophobicContact CG-CG2 3.85Å; L282-V308 HydrophobicContact CD2-CG2 3.94Å; L282-L311 HydrophobicContact CD1-CD1 3.76Å; L282-L311 HydrophobicContact CD2-CD1 4.11Å; L282-L311 HydrophobicContact CG-CD1 4.27Å; L282-I331 HydrophobicContact CD1-CG1 4.24Å; L282-F545 HydrophobicContact CB-CD2 3.66Å; L282-F545 HydrophobicContact CB-CE2 3.83Å; L282-F545 HydrophobicContact CB-CG 4.21Å; L282-F545 HydrophobicContact CB-CZ 4.47Å; L282-F545 HydrophobicContact CD1-CD1 3.84Å; L282-F545 HydrophobicContact CD1-CD2 4.01Å; L282-F545 HydrophobicContact CD1-CE1 3.65Å; L282-F545 HydrophobicContact CD1-CE2 3.85Å; L282-F545 HydrophobicContact CD1-CG 4.01Å; L282-F545 HydrophobicContact CD1-CZ 3.65Å; L282-F545 HydrophobicContact CD2-CD2 4.36Å; L282-F545 HydrophobicContact CD2-CE2 3.62Å; L282-F545 HydrophobicContact CD2-CZ 3.72Å; L282-F545 HydrophobicContact CG-CD2 4.22Å; L282-F545 HydrophobicContact CG-CE2 3.96Å; L282-F545 HydrophobicContact CG-CZ 4.14Å |
| 283 | F | 70.7 | Confident | 63.2 | Low | 28 Ų | 28 | 61.7 Ų | 61.7 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -76.3 | 68.2 | 180 | -72.9 | -77.5 | 0 | 0 | 0 | 112.6 | I279 Y280 S281 Q285 P339 V544 | I279-F283 HydrophobicContact CG2-CE2 3.91Å; I279-F283 WeakPolarHBondContact O-CD2 3.3Å; Y280-F283 PolarHBondContact O-N 3.47Å; S281-F283 VanDerWaalsContact C-N 3.31Å; S281-F283 PolarHBondContact O-N 2.97Å; F283-Q285 PolarHBondContact O-N 2.94Å; F283-P339 HydrophobicContact CD2-CG 4.23Å; F283-P339 HydrophobicContact CE2-CG 4.16Å; F283-P339 HydrophobicContact CZ-CG 4.39Å; F283-V544 HydrophobicContact CD1-CB 4.43Å; F283-V544 HydrophobicContact CD1-CG1 4.07Å; F283-V544 HydrophobicContact CE1-CB 4Å; F283-V544 HydrophobicContact CE1-CG1 4.15Å | ||
| 284 | K | 55.1 | Low | 60.3 | Low | 110 Ų | 110 | 66.9 Ų | 66.9 | 48% | 0.478 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 8.7 | -179.5 | -150.5 | 171.6 | -172.4 | 168.3 | 0 | 115.5 | L282 Y304 D562 | L282-K284 PolarHBondContact O-N 3.42Å; K284-Y304 HydrophobicContact CD-CD2 4.03Å; K284-Y304 HydrophobicContact CD-CG 4.25Å; K284-Y304 VanDerWaalsContact NZ-CD1 3.29Å; K284-D562 IonicContact NZ-OD2 2.64Å; K284-D562 PolarHBondContact NZ-OD2 2.89Å |
| 285 | Q | 48.5 | Very low | 57.6 | Low | 122 Ų | 122 | 70.9 Ų | 70.9 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -19.6 | -165.2 | -67.6 | -169.5 | 12 | 0 | 0 | 116.3 | F283 K287 | F283-Q285 PolarHBondContact O-N 2.94Å; Q285-K287 PolarHBondContact O-N 3.32Å |
| 286 | Y | 39.1 | Very low | 55.3 | Low | 170 Ų | 170 | 75.5 Ų | 75.5 | 67% | 0.667 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -71.5 | 110.7 | 170.8 | -141.4 | -79.5 | 0 | 0 | 0 | 108.1 | D289 | Y286-D289 WeakPolarHBondContact CE1-OD2 3.47Š|
| 287 | K | 36.7 | Very low | 53.3 | Low | 173 Ų | 173 | 79.7 Ų | 79.7 | 75% | 0.752 | 45% | 0.45 | S | S | * | . | trans | -52.9 | 152.7 | 179.5 | -73.9 | 177.7 | 178.5 | 173 | 0 | 109.7 | Q285 D289 | Q285-K287 PolarHBondContact O-N 3.32Å; K287-D289 VanDerWaalsContact C-N 3.25Å; K287-D289 PolarHBondContact O-N 2.91Å | ||
| 288 | S | 36.9 | Very low | 51.7 | Low | 100 Ų | 100 | 90.1 Ų | 90.1 | 70% | 0.699 | 49% | 0.489 | S | S | * | . | trans | -66.9 | 95.6 | 156.1 | -174.9 | 0 | 0 | 0 | 0 | 106.9 | A290 | S288-A290 VanDerWaalsContact C-N 3.33Å; S288-A290 PolarHBondContact O-N 2.95Å | ||
| 289 | D | 34.5 | Very low | 50.6 | Low | 71 Ų | 71 | 92.5 Ų | 92.5 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | trans | -64.7 | 98 | 171.1 | -77 | -21.9 | 0 | 0 | 0 | 107.9 | Y286 K287 T291 | Y286-D289 WeakPolarHBondContact CE1-OD2 3.47Å; K287-D289 VanDerWaalsContact C-N 3.25Å; K287-D289 PolarHBondContact O-N 2.91Å; D289-T291 PolarHBondContact O-N 3.07Å | ||
| 290 | A | 33.8 | Very low | 50 | Low | 90 Ų | 90 | 94.4 Ų | 94.4 | 74% | 0.744 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 32.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | S288 | S288-A290 VanDerWaalsContact C-N 3.33Å; S288-A290 PolarHBondContact O-N 2.95Å |
| 291 | T | 32.3 | Very low | 49.9 | Very low | 117 Ų | 117 | 98.9 Ų | 98.9 | 72% | 0.718 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.5 | 17.3 | -168.5 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | D289 | D289-T291 PolarHBondContact O-N 3.07Š|
| 292 | T | 35.7 | Very low | 50 | Low | 96 Ų | 96 | 98.8 Ų | 98.8 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | trans | -119.9 | 73.5 | 165.7 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | L294 | T292-L294 PolarHBondContact O-N 3.35Š| ||
| 293 | N | 30.8 | Very low | 50.3 | Low | 160 Ų | 160 | 100.8 Ų | 100.8 | 86% | 0.856 | 54% | 0.54 | S | S | * | . | trans | -74.9 | 71.5 | 171.5 | -74.1 | -16.4 | 0 | 0 | 0 | 110.7 | ||||
| 294 | L | 33.9 | Very low | 50.9 | Low | 110 Ų | 110 | 100.3 Ų | 100.3 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -146.7 | 140.2 | 167.5 | -149.8 | 69.8 | 0 | 0 | 0 | 109 | T292 T296 | T292-L294 PolarHBondContact O-N 3.35Å; L294-T296 PolarHBondContact O-N 2.97Å; L294-T296 PolarHBondContact O-OG1 3.36Å |
| 295 | G | 36.6 | Very low | 52.4 | Low | 87 Ų | 87 | 96 Ų | 96 | 90% | 0.897 | 52% | 0.521 | S | S | * | . | trans | -69.5 | 62.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 296 | T | 40.2 | Very low | 54.4 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | trans | -78.3 | 129.3 | 176.4 | 47.7 | 0 | 0 | 0 | 0 | 110.9 | L294 R298 | L294-T296 PolarHBondContact O-N 2.97Å; L294-T296 PolarHBondContact O-OG1 3.36Å; T296-R298 PolarHBondContact O-N 3.49Å; T296-R298 VanDerWaalsContact O-N 3.13Å | ||
| 297 | V | 45.4 | Very low | 56.9 | Low | 94 Ų | 94 | 82.3 Ų | 82.3 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | trans | -61.4 | 117.6 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | R299 | V297-R299 PolarHBondContact O-N 2.99Š| ||
| 298 | R | 54.1 | Low | 59.4 | Low | 220 Ų | 220 | 74 Ų | 74 | 83% | 0.83 | 43% | 0.428 | S | S | * | . | trans | -69.7 | 105.1 | -171.9 | -160.1 | 176.5 | -158.7 | 156.1 | 7.5 | 109.4 | T296 | T296-R298 PolarHBondContact O-N 3.49Å; T296-R298 VanDerWaalsContact O-N 3.13Å | ||
| 299 | R | 66.6 | Low | 62.1 | Low | 50 Ų | 50 | 69.3 Ų | 69.3 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | trans | -49.3 | 136.2 | 178.8 | -62.7 | -174.6 | -169.1 | 174.6 | 0.9 | 110.3 | Y280 V297 R301 I342 I343 P344 | Y280-R299 HydrophobicContact CE1-CB 4.09Å; V297-R299 PolarHBondContact O-N 2.99Å; R299-R301 PolarHBondContact O-N 2.93Å; R299-I342 PolarHBondContact NH1-O 3.2Å; R299-I342 PolarHBondContact NH2-O 3.44Å; R299-I343 VanDerWaalsContact NH2-C 3.28Å; R299-I343 PolarHBondContact NH2-O 2.87Å; R299-P344 VanDerWaalsContact NH2-N 3.14Å | ||
| 300 | P | 73.4 | Confident | 64.9 | Low | 43 Ų | 43 | 66 Ų | 66 | 28% | 0.279 | 38% | 0.377 | S | S | . | . | trans | -58.8 | 133.7 | 175.1 | 22.3 | -29.6 | 0 | 0 | 0 | 109.9 | L225 L277 F429 | L225-P300 HydrophobicContact CD2-CB 4.08Å; L277-P300 HydrophobicContact CD1-CB 4.05Å; L277-P300 HydrophobicContact CD1-CG 4.28Å; P300-F429 HydrophobicContact CG-CD1 3.74Å; P300-F429 HydrophobicContact CG-CE1 4.5Å | ||
| 301 | R | 78.5 | Confident | 67.8 | Low | 123 Ų | 123 | 61.7 Ų | 61.7 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | trans | -135.2 | 128.3 | 173.7 | -73.4 | -173.3 | 179.2 | -177.6 | 2.6 | 107.6 | Y280 S281 R299 | Y280-R301 HydrophobicContact CD1-CG 4.02Å; Y280-R301 HydrophobicContact CE1-CG 3.72Å; Y280-R301 PolarHBondContact OH-NH2 3.5Å; S281-R301 WeakPolarHBondContact OG-CA 3.43Å; R299-R301 PolarHBondContact O-N 2.93Å | ||
| 302 | L | 86.9 | Confident | 70.8 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | trans | -78.3 | 156.2 | 173.9 | -60.7 | 171.4 | 0 | 0 | 0 | 110 | I224 L225 D228 L277 S281 T307 | I224-L302 HydrophobicContact CG2-CD1 3.49Å; I224-L302 VanDerWaalsContact CG2-CD1 3.49Å; I224-L302 HydrophobicContact CG2-CD2 3.8Å; I224-L302 HydrophobicContact CG2-CG 4.3Å; L225-L302 HydrophobicContact CD2-CD2 3.79Å; L225-L302 HydrophobicContact CG-CD2 4.36Å; D228-L302 HydrophobicContact CB-CD2 4.04Å; D228-L302 WeakPolarHBondContact OD2-CA 3.29Å; L277-L302 HydrophobicContact CD1-CG 4.15Å; L277-L302 HydrophobicContact CD2-CD1 4.01Å; L277-L302 HydrophobicContact CD2-CG 4.35Å; L277-L302 HydrophobicContact CG-CD1 3.88Å; L277-L302 HydrophobicContact CG-CG 4.07Å; S281-L302 PolarHBondContact OG-N 3.49Å; L302-T307 VanDerWaalsContact CB-OG1 3.3Å; L302-T307 WeakPolarHBondContact CB-OG1 3.41Å | ||
| 303 | S | 86.9 | Confident | 73.7 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | trans | -61.1 | 149.8 | 164.1 | 76 | 0 | 0 | 0 | 0 | 110.8 | D228 S305 V306 T307 | D228-S303 VanDerWaalsContact CG-N 3.3Å; D228-S303 WeakPolarHBondContact OD1-CB 3.46Å; D228-S303 PolarHBondContact OD1-N 3.39Å; D228-S303 VanDerWaalsContact OD1-N 3.12Å; D228-S303 PolarHBondContact OD1-OG 3.31Å; D228-S303 PolarHBondContact OD2-N 3.09Å; S303-S305 PolarHBondContact O-N 2.91Å; S303-V306 PolarHBondContact O-N 2.91Å; S303-V306 PolarHBondContact OG-N 3.17Å; S303-T307 WeakPolarHBondContact O-CB 3.15Å; S303-T307 PolarHBondContact O-N 3.2Å; S303-T307 PolarHBondContact O-OG1 2.73Å | ||
| 304 | Y | 83.7 | Confident | 76.8 | Confident | 18 Ų | 18 | 44 Ų | 44 | 7% | 0.071 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.4 | -40.5 | 176.7 | 178 | -99.8 | 0 | 0 | 0 | 111.9 | K284 T307 V308 F545 S552 D562 S566 | K284-Y304 HydrophobicContact CD-CD2 4.03Å; K284-Y304 HydrophobicContact CD-CG 4.25Å; K284-Y304 VanDerWaalsContact NZ-CD1 3.29Å; Y304-T307 PolarHBondContact O-N 3.09Å; Y304-V308 HydrophobicContact CD2-CG2 4.32Å; Y304-V308 HydrophobicContact CE1-CG2 4.26Å; Y304-V308 HydrophobicContact CE2-CG2 3.9Å; Y304-V308 WeakPolarHBondContact O-CG2 3.34Å; Y304-V308 PolarHBondContact O-N 3.1Å; Y304-F545 HydrophobicContact CE2-CE2 4.19Å; Y304-S552 PolarHBondContact OH-OG 3.49Å; Y304-D562 HydrophobicContact CD1-CB 4.48Å; Y304-D562 WeakPolarHBondContact CD1-OD1 3.44Å; Y304-D562 HydrophobicContact CE1-CB 3.96Å; Y304-S566 PolarHBondContact OH-OG 3.26Å |
| 305 | S | 85.8 | Confident | 79.8 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -50.1 | 177.8 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | S303 F309 | S303-S305 PolarHBondContact O-N 2.91Å; S305-F309 VanDerWaalsContact O-CB 3.23Å; S305-F309 WeakPolarHBondContact O-CB 3.44Å; S305-F309 PolarHBondContact O-N 2.87Å |
| 306 | V | 90.2 | Very high | 82.5 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.03 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.4 | -42.8 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | I224 I227 D228 S303 V308 F309 T310 L704 | I224-V306 HydrophobicContact CG2-CG1 4.27Å; I227-V306 HydrophobicContact CG2-CG1 3.81Å; I227-V306 HydrophobicContact CG2-CG2 4.01Å; D228-V306 HydrophobicContact CB-CB 4.37Å; D228-V306 HydrophobicContact CB-CG1 4.27Å; D228-V306 HydrophobicContact CB-CG2 4.21Å; D228-V306 WeakPolarHBondContact OD1-CB 3.36Å; D228-V306 WeakPolarHBondContact OD1-CG2 3.23Å; S303-V306 PolarHBondContact O-N 2.91Å; S303-V306 PolarHBondContact OG-N 3.17Å; V306-V308 VanDerWaalsContact C-N 3.31Å; V306-V308 PolarHBondContact O-N 3.47Å; V306-F309 PolarHBondContact O-N 3.08Å; V306-F309 VanDerWaalsContact O-N 3.15Å; V306-T310 HydrophobicContact CG1-CG2 4.17Å; V306-T310 PolarHBondContact O-N 2.86Å; V306-T310 PolarHBondContact O-OG1 3.18Å; V306-L704 HydrophobicContact CB-CD2 4.46Å; V306-L704 HydrophobicContact CG2-CD1 4.22Å; V306-L704 HydrophobicContact CG2-CD2 3.74Å |
| 307 | T | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.5 | -44.8 | 179 | -45.8 | 0 | 0 | 0 | 0 | 112 | H278 S281 L282 L302 S303 Y304 T310 L311 | H278-T307 HydrophobicContact CB-CG2 4.21Å; H278-T307 WeakPolarHBondContact O-CG2 3.26Å; S281-T307 WeakPolarHBondContact CB-OG1 3.44Å; L282-T307 HydrophobicContact CD2-CG2 3.48Å; L282-T307 VanDerWaalsContact CD2-CG2 3.48Å; L282-T307 HydrophobicContact CG-CG2 3.85Å; L302-T307 VanDerWaalsContact CB-OG1 3.3Å; L302-T307 WeakPolarHBondContact CB-OG1 3.41Å; S303-T307 WeakPolarHBondContact O-CB 3.15Å; S303-T307 PolarHBondContact O-N 3.2Å; S303-T307 PolarHBondContact O-OG1 2.73Å; Y304-T307 PolarHBondContact O-N 3.09Å; T307-T310 PolarHBondContact O-OG1 3.35Å; T307-L311 HydrophobicContact CG2-CD1 4.26Å; T307-L311 WeakPolarHBondContact O-CB 3.38Å; T307-L311 WeakPolarHBondContact O-CD1 3.42Å; T307-L311 WeakPolarHBondContact O-CG 3.4Å; T307-L311 PolarHBondContact O-N 3.14Å; T307-L311 VanDerWaalsContact O-N 3.16Å |
| 308 | V | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.1 | -35.2 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | L282 Y304 V306 L311 I312 F565 L569 | L282-V308 HydrophobicContact CD2-CG2 3.94Å; Y304-V308 HydrophobicContact CD2-CG2 4.32Å; Y304-V308 HydrophobicContact CE1-CG2 4.26Å; Y304-V308 HydrophobicContact CE2-CG2 3.9Å; Y304-V308 WeakPolarHBondContact O-CG2 3.34Å; Y304-V308 PolarHBondContact O-N 3.1Å; V306-V308 VanDerWaalsContact C-N 3.31Å; V306-V308 PolarHBondContact O-N 3.47Å; V308-L311 PolarHBondContact O-N 3.43Å; V308-I312 HydrophobicContact CG1-CD1 3.96Å; V308-I312 HydrophobicContact CG1-CG1 4.42Å; V308-I312 WeakPolarHBondContact O-CD1 3.38Å; V308-I312 WeakPolarHBondContact O-CG1 3.43Å; V308-I312 PolarHBondContact O-N 3.48Å; V308-F565 HydrophobicContact CB-CB 4.22Å; V308-F565 HydrophobicContact CG1-CB 3.73Å; V308-F565 WeakPolarHBondContact CG1-O 3.4Å; V308-L569 HydrophobicContact CG1-CB 3.88Å; V308-L569 HydrophobicContact CG1-CD2 4.06Å; V308-L569 HydrophobicContact CG1-CG 4.47Å |
| 309 | F | 92.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 175.6 | -178.2 | -100.1 | 0 | 0 | 0 | 112.9 | V240 S305 V306 I312 H313 F565 A698 L703 L704 | V240-F309 HydrophobicContact CG1-CE1 4.02Å; V240-F309 HydrophobicContact CG1-CZ 4.09Å; V240-F309 HydrophobicContact CG2-CE1 3.78Å; V240-F309 HydrophobicContact CG2-CZ 4.31Å; S305-F309 VanDerWaalsContact O-CB 3.23Å; S305-F309 WeakPolarHBondContact O-CB 3.44Å; S305-F309 PolarHBondContact O-N 2.87Å; V306-F309 PolarHBondContact O-N 3.08Å; V306-F309 VanDerWaalsContact O-N 3.15Å; F309-I312 WeakPolarHBondContact O-CB 3.26Å; F309-I312 PolarHBondContact O-N 3.49Å; F309-H313 AromaticContact CD1-CE1 3.86Å; F309-H313 AromaticContact CE1-CE1 3.25Å; F309-H313 WeakPolarHBondContact CE1-CE1 3.3Å; F309-H313 AromaticContact CE1-NE2 3.64Å; F309-H313 AromaticContact CE2-NE2 3.8Å; F309-H313 AromaticContact CZ-CE1 3.47Å; F309-H313 VanDerWaalsContact CZ-CE1 3.47Å; F309-H313 WeakPolarHBondContact CZ-CE1 3.29Å; F309-H313 AromaticContact CZ-NE2 3.51Å; F309-H313 PolarHBondContact O-CD2 3.44Å; F309-H313 PolarHBondContact O-N 3.3Å; F309-H313 VanDerWaalsContact O-N 3.12Å; F309-F565 HydrophobicContact CB-CE1 4.24Å; F309-F565 HydrophobicContact CB-CZ 4.48Å; F309-F565 AromaticContact CD2-CE1 3.86Å; F309-F565 HydrophobicContact CD2-CE1 3.86Å; F309-F565 HydrophobicContact CD2-CZ 4.33Å; F309-A698 WeakPolarHBondContact CE2-O 3.34Å; F309-A698 WeakPolarHBondContact CZ-O 3.33Å; F309-L703 HydrophobicContact CE2-CB 4.24Å; F309-L704 HydrophobicContact CB-CD2 3.61Å; F309-L704 HydrophobicContact CB-CG 4.5Å; F309-L704 HydrophobicContact CD1-CD1 3.83Å; F309-L704 HydrophobicContact CD1-CD2 3.94Å; F309-L704 HydrophobicContact CD1-CG 4.01Å; F309-L704 HydrophobicContact CD2-CD2 4.08Å; F309-L704 HydrophobicContact CD2-CG 4.14Å; F309-L704 HydrophobicContact CE1-CD1 3.8Å; F309-L704 HydrophobicContact CE1-CG 4.16Å; F309-L704 HydrophobicContact CE2-CG 4.28Å; F309-L704 HydrophobicContact CG-CD1 4.32Å; F309-L704 HydrophobicContact CG-CD2 3.64Å; F309-L704 HydrophobicContact CG-CG 3.99Å; F309-L704 HydrophobicContact CZ-CD1 4.27Å; F309-L704 HydrophobicContact CZ-CG 4.28Å |
| 310 | T | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.4 | -33.6 | 176.7 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | I224 H278 V306 T307 H313 V314 | I224-T310 HydrophobicContact CG1-CG2 4.14Å; I224-T310 HydrophobicContact CG2-CG2 3.96Å; H278-T310 PolarHBondContact CD2-OG1 2.95Å; H278-T310 PolarHBondContact NE2-OG1 3.24Å; V306-T310 HydrophobicContact CG1-CG2 4.17Å; V306-T310 PolarHBondContact O-N 2.86Å; V306-T310 PolarHBondContact O-OG1 3.18Å; T307-T310 PolarHBondContact O-OG1 3.35Å; T310-H313 WeakPolarHBondContact O-CB 3.34Å; T310-H313 PolarHBondContact O-N 2.92Å; T310-H313 VanDerWaalsContact O-N 3.17Å; T310-V314 WeakPolarHBondContact O-CG2 3.27Å; T310-V314 PolarHBondContact O-N 3.48Å |
| 311 | L | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 169.9 | -75.6 | 169.7 | 0 | 0 | 0 | 112.3 | H278 L282 T307 V308 H313 V314 Y315 L327 I331 L569 | H278-L311 HydrophobicContact CB-CD2 4.25Å; H278-L311 HydrophobicContact CB-CG 4.43Å; L282-L311 HydrophobicContact CD1-CD1 3.76Å; L282-L311 HydrophobicContact CD2-CD1 4.11Å; L282-L311 HydrophobicContact CG-CD1 4.27Å; T307-L311 HydrophobicContact CG2-CD1 4.26Å; T307-L311 WeakPolarHBondContact O-CB 3.38Å; T307-L311 WeakPolarHBondContact O-CD1 3.42Å; T307-L311 WeakPolarHBondContact O-CG 3.4Å; T307-L311 PolarHBondContact O-N 3.14Å; T307-L311 VanDerWaalsContact O-N 3.16Å; V308-L311 PolarHBondContact O-N 3.43Å; L311-H313 PolarHBondContact O-N 3.13Å; L311-V314 WeakPolarHBondContact O-CB 3.37Å; L311-V314 PolarHBondContact O-N 2.97Å; L311-Y315 VanDerWaalsContact O-CD2 3.22Å; L311-Y315 WeakPolarHBondContact O-CD2 3.19Å; L311-Y315 PolarHBondContact O-N 2.75Å; L311-L327 HydrophobicContact CD2-CD1 4.3Å; L311-L327 HydrophobicContact CD2-CD2 4.06Å; L311-I331 HydrophobicContact CD1-CD1 4.14Å; L311-I331 HydrophobicContact CD2-CD1 4.29Å; L311-L569 HydrophobicContact CB-CD1 3.94Å |
| 312 | I | 95.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.8 | -38.3 | 172.9 | -69.5 | 155.6 | 0 | 0 | 0 | 110.5 | V308 F309 Y315 L316 F565 L568 L569 A572 A698 | V308-I312 HydrophobicContact CG1-CD1 3.96Å; V308-I312 HydrophobicContact CG1-CG1 4.42Å; V308-I312 WeakPolarHBondContact O-CD1 3.38Å; V308-I312 WeakPolarHBondContact O-CG1 3.43Å; V308-I312 PolarHBondContact O-N 3.48Å; F309-I312 WeakPolarHBondContact O-CB 3.26Å; F309-I312 PolarHBondContact O-N 3.49Å; I312-Y315 PolarHBondContact O-N 2.89Å; I312-L316 HydrophobicContact CG2-CD1 3.87Å; I312-L316 HydrophobicContact CG2-CG 4.47Å; I312-L316 WeakPolarHBondContact O-CB 3.22Å; I312-L316 VanDerWaalsContact O-CG 3.3Å; I312-L316 WeakPolarHBondContact O-CG 3.28Å; I312-L316 PolarHBondContact O-N 3.08Å; I312-F565 HydrophobicContact CD1-CD1 4.04Å; I312-L568 HydrophobicContact CD1-CB 3.52Å; I312-L568 HydrophobicContact CD1-CD1 4.45Å; I312-L568 HydrophobicContact CG1-CB 4.19Å; I312-L569 HydrophobicContact CD1-CB 4.43Å; I312-L569 HydrophobicContact CG1-CB 3.92Å; I312-L569 HydrophobicContact CG1-CD1 4.16Å; I312-A572 HydrophobicContact CG2-CB 4.39Å; I312-A698 HydrophobicContact CG2-CB 3.64Å |
| 313 | H | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | 175.2 | -65.4 | -174.1 | 0 | 0 | 0 | 111.8 | H243 L247 F309 T310 L311 Y315 L316 F317 A698 | H243-H313 AromaticContact CD2-ND1 3.57Å; L247-H313 HydrophobicContact CD1-CB 3.59Å; F309-H313 AromaticContact CD1-CE1 3.86Å; F309-H313 AromaticContact CE1-CE1 3.25Å; F309-H313 WeakPolarHBondContact CE1-CE1 3.3Å; F309-H313 AromaticContact CE1-NE2 3.64Å; F309-H313 AromaticContact CE2-NE2 3.8Å; F309-H313 AromaticContact CZ-CE1 3.47Å; F309-H313 VanDerWaalsContact CZ-CE1 3.47Å; F309-H313 WeakPolarHBondContact CZ-CE1 3.29Å; F309-H313 AromaticContact CZ-NE2 3.51Å; F309-H313 PolarHBondContact O-CD2 3.44Å; F309-H313 PolarHBondContact O-N 3.3Å; F309-H313 VanDerWaalsContact O-N 3.12Å; T310-H313 WeakPolarHBondContact O-CB 3.34Å; T310-H313 PolarHBondContact O-N 2.92Å; T310-H313 VanDerWaalsContact O-N 3.17Å; L311-H313 PolarHBondContact O-N 3.13Å; H313-Y315 VanDerWaalsContact C-N 3.34Å; H313-Y315 PolarHBondContact O-N 3.21Å; H313-L316 PolarHBondContact O-N 3.44Å; H313-F317 HydrophobicContact CB-CD2 4.01Å; H313-F317 HydrophobicContact CB-CE2 3.95Å; H313-F317 WeakPolarHBondContact O-CD2 3.4Å; H313-F317 PolarHBondContact O-N 2.87Å; H313-A698 PolarHBondContact NE2-O 2.66Å |
| 314 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.1 | -46.9 | 173.3 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L247 F274 T310 L311 L316 L318 I324 L327 | L247-V314 HydrophobicContact CD1-CG2 4.31Å; L247-V314 HydrophobicContact CD2-CG2 3.96Å; F274-V314 HydrophobicContact CE1-CG1 4.39Å; F274-V314 HydrophobicContact CE1-CG2 3.6Å; F274-V314 HydrophobicContact CZ-CG1 4.09Å; F274-V314 HydrophobicContact CZ-CG2 3.83Å; T310-V314 WeakPolarHBondContact O-CG2 3.27Å; T310-V314 PolarHBondContact O-N 3.48Å; L311-V314 WeakPolarHBondContact O-CB 3.37Å; L311-V314 PolarHBondContact O-N 2.97Å; V314-L316 VanDerWaalsContact C-N 3.3Å; V314-L316 PolarHBondContact O-N 3.46Å; V314-L318 HydrophobicContact CG1-CD1 4.13Å; V314-L318 HydrophobicContact CG1-CG 4.41Å; V314-L318 WeakPolarHBondContact O-CB 3.33Å; V314-L318 PolarHBondContact O-N 2.94Å; V314-I324 HydrophobicContact CG1-CD1 4.2Å; V314-L327 HydrophobicContact CG1-CD2 3.58Å |
| 315 | Y | 95.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.016 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.8 | -13 | 176.4 | -76.6 | -74 | 0 | 0 | 0 | 114.6 | L311 I312 H313 I324 L327 T328 I331 L569 I573 N576 V579 | L311-Y315 VanDerWaalsContact O-CD2 3.22Å; L311-Y315 WeakPolarHBondContact O-CD2 3.19Å; L311-Y315 PolarHBondContact O-N 2.75Å; I312-Y315 PolarHBondContact O-N 2.89Å; H313-Y315 VanDerWaalsContact C-N 3.34Å; H313-Y315 PolarHBondContact O-N 3.21Å; Y315-I324 HydrophobicContact CD1-CD1 4.13Å; Y315-I324 HydrophobicContact CD1-CG2 4.38Å; Y315-I324 HydrophobicContact CE1-CD1 4.19Å; Y315-I324 HydrophobicContact CE1-CG2 4.03Å; Y315-L327 HydrophobicContact CE2-CD2 4.01Å; Y315-L327 HydrophobicContact CE2-CG 4.4Å; Y315-L327 WeakPolarHBondContact OH-CG 3.47Å; Y315-T328 WeakPolarHBondContact CE1-OG1 3.48Å; Y315-T328 VanDerWaalsContact OH-CA 3.25Å; Y315-T328 WeakPolarHBondContact OH-CA 3.07Å; Y315-T328 PolarHBondContact OH-N 2.68Å; Y315-T328 VanDerWaalsContact OH-N 3.14Å; Y315-T328 PolarHBondContact OH-OG1 2.79Å; Y315-I331 HydrophobicContact CE2-CD1 3.78Å; Y315-L569 HydrophobicContact CD2-CD1 3.69Å; Y315-L569 HydrophobicContact CE2-CD1 4.08Å; Y315-I573 HydrophobicContact CD1-CB 4.48Å; Y315-I573 HydrophobicContact CD1-CG1 3.84Å; Y315-I573 HydrophobicContact CD2-CG1 3.91Å; Y315-I573 HydrophobicContact CE1-CG1 3.76Å; Y315-I573 HydrophobicContact CE2-CD1 4.3Å; Y315-I573 HydrophobicContact CE2-CG1 3.87Å; Y315-I573 HydrophobicContact CG-CG1 3.93Å; Y315-N576 HydrophobicContact CD1-CB 4.31Å; Y315-N576 WeakPolarHBondContact O-CB 3.48Å; Y315-N576 PolarHBondContact O-ND2 2.82Å; Y315-V579 HydrophobicContact CD1-CG2 4.49Å; Y315-V579 HydrophobicContact CE1-CG2 4.28Å |
| 316 | L | 94 | Very high | 93.7 | Very high | 36 Ų | 36 | 15.3 Ų | 15.3 | 19% | 0.188 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -86.9 | -37.6 | 172.9 | -87.7 | 167.1 | 0 | 0 | 0 | 112.8 | I312 H313 V314 L694 A698 | I312-L316 HydrophobicContact CG2-CD1 3.87Å; I312-L316 HydrophobicContact CG2-CG 4.47Å; I312-L316 WeakPolarHBondContact O-CB 3.22Å; I312-L316 VanDerWaalsContact O-CG 3.3Å; I312-L316 WeakPolarHBondContact O-CG 3.28Å; I312-L316 PolarHBondContact O-N 3.08Å; H313-L316 PolarHBondContact O-N 3.44Å; V314-L316 VanDerWaalsContact C-N 3.3Å; V314-L316 PolarHBondContact O-N 3.46Å; L316-L694 HydrophobicContact CD2-CB 4.39Å; L316-L694 HydrophobicContact CD2-CD2 3.76Å; L316-L694 HydrophobicContact CD2-CG 4.01Å; L316-L694 HydrophobicContact CG-CD2 4.41Å; L316-A698 HydrophobicContact CD1-CB 3.63Å |
| 317 | F | 94.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 15.1 Ų | 15.1 | 10% | 0.096 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -107 | -41.5 | -167.2 | -57.4 | -55.8 | 0 | 0 | 0 | 113.7 | I244 L247 H248 H313 T699 | I244-F317 HydrophobicContact CB-CE2 4.45Å; I244-F317 HydrophobicContact CG1-CE2 3.97Å; I244-F317 HydrophobicContact CG1-CZ 4.5Å; I244-F317 HydrophobicContact CG2-CD2 4.44Å; I244-F317 HydrophobicContact CG2-CE2 3.89Å; I244-F317 HydrophobicContact CG2-CZ 3.93Å; L247-F317 HydrophobicContact CB-CB 4.17Å; L247-F317 HydrophobicContact CB-CD2 4.36Å; L247-F317 HydrophobicContact CD1-CD2 4.05Å; H248-F317 AromaticContact CE1-CD1 3.42Å; H248-F317 VanDerWaalsContact CE1-CD1 3.42Å; H248-F317 WeakPolarHBondContact CE1-CD1 3.33Å; H248-F317 AromaticContact CE1-CE1 3.8Å; H248-F317 AromaticContact NE2-CD1 3.93Å; H248-F317 AromaticContact NE2-CE1 3.92Å; H313-F317 HydrophobicContact CB-CD2 4.01Å; H313-F317 HydrophobicContact CB-CE2 3.95Å; H313-F317 WeakPolarHBondContact O-CD2 3.4Å; H313-F317 PolarHBondContact O-N 2.87Å; F317-T699 HydrophobicContact CE2-CG2 4.46Å; F317-T699 HydrophobicContact CZ-CG2 3.88Å |
| 318 | L | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -83.4 | 138.7 | -177.2 | -54.4 | -166.1 | 0 | 0 | 0 | 112.2 | L247 I250 D251 F274 V314 L323 I324 N576 | L247-L318 HydrophobicContact CB-CD2 4.32Å; L247-L318 HydrophobicContact CD2-CD1 4.16Å; L247-L318 HydrophobicContact CD2-CD2 4.17Å; L247-L318 HydrophobicContact CD2-CG 4.17Å; L247-L318 VanDerWaalsContact O-CD2 3.22Å; L247-L318 WeakPolarHBondContact O-CD2 3.22Å; I250-L318 HydrophobicContact CB-CD2 4.02Å; I250-L318 HydrophobicContact CG2-CD1 4.02Å; I250-L318 HydrophobicContact CG2-CD2 3.76Å; D251-L318 HydrophobicContact CB-CD2 3.95Å; D251-L318 WeakPolarHBondContact OD1-CA 3.2Å; F274-L318 HydrophobicContact CZ-CD1 4.22Å; V314-L318 HydrophobicContact CG1-CD1 4.13Å; V314-L318 HydrophobicContact CG1-CG 4.41Å; V314-L318 WeakPolarHBondContact O-CB 3.33Å; V314-L318 PolarHBondContact O-N 2.94Å; L318-L323 HydrophobicContact CD1-CD2 3.83Å; L318-I324 HydrophobicContact CB-CD1 4.23Å; L318-N576 PolarHBondContact O-ND2 3.2Å | ||
| 319 | R | 92 | Very high | 93.5 | Very high | 118 Ų | 118 | 15.2 Ų | 15.2 | 45% | 0.445 | 7% | 0.07 | S | C | . | . | trans | -126.6 | -6.3 | -171.3 | -61.8 | 173.5 | -179.5 | 170.8 | 3.4 | 115.7 | D251 T321 | D251-R319 WeakPolarHBondContact OD1-CB 3.39Å; D251-R319 PolarHBondContact OD1-N 2.83Å; D251-R319 IonicContact OD2-NE 3.62Å; R319-T321 PolarHBondContact O-N 3.05Å; R319-T321 VanDerWaalsContact O-N 3.12Å | ||
| 320 | D | 94.5 | Very high | 93.2 | Very high | 25 Ų | 25 | 15.3 Ų | 15.3 | 13% | 0.134 | 7% | 0.071 | C | C | . | . | trans | -62 | 114.8 | 174.9 | -179.6 | -72.8 | 0 | 0 | 0 | 110.1 | L254 R322 L323 I324 | L254-D320 HydrophobicContact CB-CB 4.44Å; L254-D320 HydrophobicContact CD1-CB 3.94Å; D320-R322 PolarHBondContact O-N 2.79Å; D320-R322 WeakPolarHBondContact OD1-CA 3.41Å; D320-R322 VanDerWaalsContact OD1-CB 3.3Å; D320-R322 WeakPolarHBondContact OD1-CB 3.49Å; D320-R322 PolarHBondContact OD1-N 3.4Å; D320-R322 IonicContact OD2-NE 3.97Å; D320-L323 HydrophobicContact CB-CB 4.2Å; D320-L323 PolarHBondContact O-N 2.99Å; D320-L323 PolarHBondContact OD1-N 2.89Å; D320-I324 VanDerWaalsContact O-CB 3.32Å; D320-I324 WeakPolarHBondContact O-CB 3.32Å; D320-I324 WeakPolarHBondContact O-CG1 3.31Å; D320-I324 PolarHBondContact O-N 3.26Å | ||
| 321 | T | 93.2 | Very high | 92.7 | Very high | 65 Ų | 65 | 15.4 Ų | 15.4 | 40% | 0.399 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -58.7 | -32.8 | -176.3 | -71.1 | 0 | 0 | 0 | 0 | 113.2 | R319 C325 G578 | R319-T321 PolarHBondContact O-N 3.05Å; R319-T321 VanDerWaalsContact O-N 3.12Å; T321-C325 WeakPolarHBondContact O-CB 3.42Å; T321-C325 PolarHBondContact O-N 2.88Å; T321-C325 PolarHBondContact O-SG 2.87Å; T321-C325 VanDerWaalsContact O-SG 3.35Å; T321-G578 VanDerWaalsContact CA-O 3.31Å; T321-G578 WeakPolarHBondContact CA-O 3.45Å; T321-G578 WeakPolarHBondContact CB-O 3.5Å; T321-G578 WeakPolarHBondContact CG2-O 3.41Å; T321-G578 PolarHBondContact OG1-O 3.31Å |
| 322 | R | 92.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 15.6 Ų | 15.6 | 16% | 0.158 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71.9 | -50.9 | -176.7 | -51.1 | -177.1 | -74.3 | 174.8 | 0.8 | 109.5 | E263 D320 I324 L326 D405 | E263-R322 IonicContact OE1-NH1 2.7Å; E263-R322 PolarHBondContact OE1-NH1 2.81Å; D320-R322 PolarHBondContact O-N 2.79Å; D320-R322 WeakPolarHBondContact OD1-CA 3.41Å; D320-R322 VanDerWaalsContact OD1-CB 3.3Å; D320-R322 WeakPolarHBondContact OD1-CB 3.49Å; D320-R322 PolarHBondContact OD1-N 3.4Å; D320-R322 IonicContact OD2-NE 3.97Å; R322-I324 PolarHBondContact O-N 3.01Å; R322-L326 VanDerWaalsContact O-CB 3.29Å; R322-L326 WeakPolarHBondContact O-CB 3.19Å; R322-L326 WeakPolarHBondContact O-CD1 3.43Å; R322-L326 VanDerWaalsContact O-CG 3.28Å; R322-L326 WeakPolarHBondContact O-CG 3.29Å; R322-L326 PolarHBondContact O-N 3.2Å; R322-D405 VanDerWaalsContact CD-CG 3.46Å; R322-D405 WeakPolarHBondContact CD-OD1 3.27Å; R322-D405 WeakPolarHBondContact CD-OD2 3.43Å; R322-D405 WeakPolarHBondContact CG-OD1 3.18Å; R322-D405 IonicContact NH1-OD2 2.83Å; R322-D405 PolarHBondContact NH1-OD2 3.14Å |
| 323 | L | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.9 | -48.8 | 175.4 | -178.1 | 60.6 | 0 | 0 | 0 | 111.9 | L254 C266 L269 L270 F274 L318 D320 L327 | L254-L323 HydrophobicContact CD1-CD2 4.11Å; C266-L323 HydrophobicContact CB-CB 4.46Å; C266-L323 HydrophobicContact CB-CD1 4.34Å; L269-L323 HydrophobicContact CB-CD1 4.2Å; L269-L323 HydrophobicContact CD1-CD2 3.85Å; L270-L323 HydrophobicContact CD1-CD1 4.23Å; L270-L323 HydrophobicContact CD2-CD1 4Å; L270-L323 HydrophobicContact CG-CD1 3.73Å; F274-L323 HydrophobicContact CD2-CD1 4.09Å; F274-L323 HydrophobicContact CE2-CD1 4.02Å; F274-L323 HydrophobicContact CE2-CD2 4.32Å; F274-L323 HydrophobicContact CE2-CG 4.43Å; L318-L323 HydrophobicContact CD1-CD2 3.83Å; D320-L323 HydrophobicContact CB-CB 4.2Å; D320-L323 PolarHBondContact O-N 2.99Å; D320-L323 PolarHBondContact OD1-N 2.89Å; L323-L327 VanDerWaalsContact O-CB 3.31Å; L323-L327 WeakPolarHBondContact O-CB 3.31Å; L323-L327 PolarHBondContact O-N 2.77Å |
| 324 | I | 94.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.4 | -43.4 | -176.4 | -74.1 | -65.7 | 0 | 0 | 0 | 111.7 | V314 Y315 L318 D320 R322 L327 T328 V579 | V314-I324 HydrophobicContact CG1-CD1 4.2Å; Y315-I324 HydrophobicContact CD1-CD1 4.13Å; Y315-I324 HydrophobicContact CD1-CG2 4.38Å; Y315-I324 HydrophobicContact CE1-CD1 4.19Å; Y315-I324 HydrophobicContact CE1-CG2 4.03Å; L318-I324 HydrophobicContact CB-CD1 4.23Å; D320-I324 VanDerWaalsContact O-CB 3.32Å; D320-I324 WeakPolarHBondContact O-CB 3.32Å; D320-I324 WeakPolarHBondContact O-CG1 3.31Å; D320-I324 PolarHBondContact O-N 3.26Å; R322-I324 PolarHBondContact O-N 3.01Å; I324-L327 PolarHBondContact O-N 3.48Å; I324-T328 VanDerWaalsContact O-CB 3.3Å; I324-T328 WeakPolarHBondContact O-CB 3.14Å; I324-T328 PolarHBondContact O-N 3.06Å; I324-T328 PolarHBondContact O-OG1 3.37Å; I324-V579 HydrophobicContact CG2-CB 4.25Å; I324-V579 HydrophobicContact CG2-CG2 3.31Å |
| 325 | C | 92.8 | Very high | 87 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 175.6 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | T321 T328 E329 D580 | T321-C325 WeakPolarHBondContact O-CB 3.42Å; T321-C325 PolarHBondContact O-N 2.88Å; T321-C325 PolarHBondContact O-SG 2.87Å; T321-C325 VanDerWaalsContact O-SG 3.35Å; C325-T328 PolarHBondContact O-N 3.2Å; C325-E329 WeakPolarHBondContact O-CG 3.32Å; C325-E329 PolarHBondContact O-N 2.86Å; C325-D580 PolarHBondContact SG-N 3.44Å |
| 326 | L | 92 | Very high | 84.9 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.8 | -78.4 | 167.3 | 0 | 0 | 0 | 112.4 | L270 R322 T328 E329 A330 L401 R412 L413 Y416 | L270-L326 HydrophobicContact CD1-CB 4.09Å; L270-L326 HydrophobicContact CD1-CD1 3.6Å; L270-L326 HydrophobicContact CD1-CG 4.46Å; L270-L326 HydrophobicContact CD2-CB 4.26Å; R322-L326 VanDerWaalsContact O-CB 3.29Å; R322-L326 WeakPolarHBondContact O-CB 3.19Å; R322-L326 WeakPolarHBondContact O-CD1 3.43Å; R322-L326 VanDerWaalsContact O-CG 3.28Å; R322-L326 WeakPolarHBondContact O-CG 3.29Å; R322-L326 PolarHBondContact O-N 3.2Å; L326-T328 VanDerWaalsContact C-N 3.31Å; L326-T328 PolarHBondContact O-N 2.88Å; L326-E329 PolarHBondContact O-N 2.8Å; L326-A330 PolarHBondContact O-N 2.83Å; L326-L401 HydrophobicContact CD1-CD2 3.6Å; L326-R412 VanDerWaalsContact CD2-C 3.49Å; L326-R412 HydrophobicContact CD2-CB 3.9Å; L326-L413 HydrophobicContact CD2-CB 4.39Å; L326-Y416 HydrophobicContact CD1-CD2 4.42Å; L326-Y416 HydrophobicContact CD2-CG 4.47Å |
| 327 | L | 91.9 | Very high | 83 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 174.7 | -174.6 | 64.1 | 0 | 0 | 0 | 111.8 | F274 I279 L311 V314 Y315 L323 I324 A330 I331 | F274-L327 HydrophobicContact CB-CD1 3.83Å; F274-L327 HydrophobicContact CG-CD1 4.2Å; I279-L327 HydrophobicContact CD1-CD1 4.05Å; I279-L327 HydrophobicContact CG1-CD1 4.38Å; L311-L327 HydrophobicContact CD2-CD1 4.3Å; L311-L327 HydrophobicContact CD2-CD2 4.06Å; V314-L327 HydrophobicContact CG1-CD2 3.58Å; Y315-L327 HydrophobicContact CE2-CD2 4.01Å; Y315-L327 HydrophobicContact CE2-CG 4.4Å; Y315-L327 WeakPolarHBondContact OH-CG 3.47Å; L323-L327 VanDerWaalsContact O-CB 3.31Å; L323-L327 WeakPolarHBondContact O-CB 3.31Å; L323-L327 PolarHBondContact O-N 2.77Å; I324-L327 PolarHBondContact O-N 3.48Å; L327-A330 PolarHBondContact O-N 2.86Å; L327-I331 HydrophobicContact CG-CD1 4.4Å; L327-I331 WeakPolarHBondContact O-CB 3.28Å; L327-I331 WeakPolarHBondContact O-CG1 3.46Å; L327-I331 PolarHBondContact O-N 3.36Å |
| 328 | T | 89.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.6 | -40.7 | 178.2 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | Y315 I324 C325 L326 I331 L332 I573 V579 T583 | Y315-T328 WeakPolarHBondContact CE1-OG1 3.48Å; Y315-T328 VanDerWaalsContact OH-CA 3.25Å; Y315-T328 WeakPolarHBondContact OH-CA 3.07Å; Y315-T328 PolarHBondContact OH-N 2.68Å; Y315-T328 VanDerWaalsContact OH-N 3.14Å; Y315-T328 PolarHBondContact OH-OG1 2.79Å; I324-T328 VanDerWaalsContact O-CB 3.3Å; I324-T328 WeakPolarHBondContact O-CB 3.14Å; I324-T328 PolarHBondContact O-N 3.06Å; I324-T328 PolarHBondContact O-OG1 3.37Å; C325-T328 PolarHBondContact O-N 3.2Å; L326-T328 VanDerWaalsContact C-N 3.31Å; L326-T328 PolarHBondContact O-N 2.88Å; T328-I331 PolarHBondContact O-N 3.42Å; T328-L332 HydrophobicContact CG2-CD1 3.52Å; T328-L332 HydrophobicContact CG2-CG 4.08Å; T328-L332 WeakPolarHBondContact O-CB 3.05Å; T328-L332 VanDerWaalsContact O-CG 3.23Å; T328-L332 WeakPolarHBondContact O-CG 3.36Å; T328-L332 PolarHBondContact O-N 2.9Å; T328-I573 HydrophobicContact CG2-CG2 4.07Å; T328-V579 HydrophobicContact CG2-CG1 4.34Å; T328-T583 HydrophobicContact CG2-CG2 3.41Å; T328-T583 VanDerWaalsContact CG2-CG2 3.41Å |
| 329 | E | 87.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 172.4 | -77.2 | -171.6 | -161.1 | 0 | 0 | 112 | C325 L326 I331 L332 I333 G410 K411 R412 L413 | C325-E329 WeakPolarHBondContact O-CG 3.32Å; C325-E329 PolarHBondContact O-N 2.86Å; L326-E329 PolarHBondContact O-N 2.8Å; E329-I331 VanDerWaalsContact C-N 3.28Å; E329-I331 PolarHBondContact O-N 2.91Å; E329-L332 PolarHBondContact O-N 3.31Å; E329-I333 HydrophobicContact CB-CD1 3.7Å; E329-I333 HydrophobicContact CB-CG1 4.34Å; E329-I333 HydrophobicContact CG-CD1 3.85Å; E329-I333 VanDerWaalsContact O-CB 3.23Å; E329-I333 WeakPolarHBondContact O-CB 3.4Å; E329-I333 VanDerWaalsContact O-CG1 3.28Å; E329-I333 WeakPolarHBondContact O-CG1 3.43Å; E329-I333 PolarHBondContact O-N 2.74Å; E329-G410 VanDerWaalsContact CD-N 3.33Å; E329-G410 PolarHBondContact OE1-N 2.73Å; E329-K411 PolarHBondContact OE2-N 2.74Å; E329-R412 WeakPolarHBondContact OE1-CD 3.35Å; E329-R412 WeakPolarHBondContact OE1-CG 3.23Å; E329-R412 WeakPolarHBondContact OE2-CA 3.46Å; E329-R412 WeakPolarHBondContact OE2-CB 3.29Å; E329-R412 PolarHBondContact OE2-N 2.97Å; E329-L413 HydrophobicContact CB-CB 4.04Å; E329-L413 PolarHBondContact OE2-N 2.74Å |
| 330 | A | 84.9 | Confident | 77.4 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I279 L326 L327 L413 | I279-A330 HydrophobicContact CD1-CB 3.96Å; I279-A330 HydrophobicContact CG1-CB 4.04Å; L326-A330 PolarHBondContact O-N 2.83Å; L327-A330 PolarHBondContact O-N 2.86Å; A330-L413 VanDerWaalsContact CA-CD2 3.46Å; A330-L413 HydrophobicContact CB-CD1 4.19Å; A330-L413 HydrophobicContact CB-CD2 3.72Å |
| 331 | I | 85 | Confident | 75.5 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.6 | -44 | 175.8 | -82.9 | 175.9 | 0 | 0 | 0 | 112.4 | I279 L282 L311 Y315 L327 T328 E329 F545 I573 | I279-I331 HydrophobicContact CD1-CD1 4.36Å; I279-I331 HydrophobicContact CD1-CG1 3.6Å; L282-I331 HydrophobicContact CD1-CG1 4.24Å; L311-I331 HydrophobicContact CD1-CD1 4.14Å; L311-I331 HydrophobicContact CD2-CD1 4.29Å; Y315-I331 HydrophobicContact CE2-CD1 3.78Å; L327-I331 HydrophobicContact CG-CD1 4.4Å; L327-I331 WeakPolarHBondContact O-CB 3.28Å; L327-I331 WeakPolarHBondContact O-CG1 3.46Å; L327-I331 PolarHBondContact O-N 3.36Å; T328-I331 PolarHBondContact O-N 3.42Å; E329-I331 VanDerWaalsContact C-N 3.28Å; E329-I331 PolarHBondContact O-N 2.91Å; I331-F545 HydrophobicContact CB-CD1 4.23Å; I331-F545 HydrophobicContact CG1-CD1 4.26Å; I331-F545 HydrophobicContact CG1-CE1 4.29Å; I331-F545 HydrophobicContact CG2-CD1 3.83Å; I331-F545 HydrophobicContact CG2-CE1 3.89Å; I331-F545 WeakPolarHBondContact O-CD1 3.48Å; I331-I573 HydrophobicContact CG2-CD1 4.22Å |
| 332 | L | 76.7 | Confident | 73.7 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -88 | -41.6 | -171.4 | -64.9 | 173 | 0 | 0 | 0 | 113.7 | T328 E329 R543 L546 A587 | T328-L332 HydrophobicContact CG2-CD1 3.52Å; T328-L332 HydrophobicContact CG2-CG 4.08Å; T328-L332 WeakPolarHBondContact O-CB 3.05Å; T328-L332 VanDerWaalsContact O-CG 3.23Å; T328-L332 WeakPolarHBondContact O-CG 3.36Å; T328-L332 PolarHBondContact O-N 2.9Å; E329-L332 PolarHBondContact O-N 3.31Å; L332-R543 WeakPolarHBondContact O-CB 3.44Å; L332-R543 WeakPolarHBondContact O-CD 3.25Å; L332-R543 VanDerWaalsContact O-CG 3.28Å; L332-R543 WeakPolarHBondContact O-CG 3.18Å; L332-L546 HydrophobicContact CB-CD1 4.45Å; L332-L546 HydrophobicContact CD2-CD1 3.82Å; L332-L546 HydrophobicContact CD2-CG 4.3Å; L332-A587 HydrophobicContact CD1-CB 3.39Å; L332-A587 HydrophobicContact CD2-CB 3.86Å; L332-A587 HydrophobicContact CG-CB 4.28Å |
| 333 | I | 68.5 | Low | 71.9 | Confident | 43 Ų | 43 | 26.4 Ų | 26.4 | 22% | 0.221 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -79.2 | -38.2 | -175.9 | -53 | 174.3 | 0 | 0 | 0 | 109.8 | E329 D335 G410 G542 R543 | E329-I333 HydrophobicContact CB-CD1 3.7Å; E329-I333 HydrophobicContact CB-CG1 4.34Å; E329-I333 HydrophobicContact CG-CD1 3.85Å; E329-I333 VanDerWaalsContact O-CB 3.23Å; E329-I333 WeakPolarHBondContact O-CB 3.4Å; E329-I333 VanDerWaalsContact O-CG1 3.28Å; E329-I333 WeakPolarHBondContact O-CG1 3.43Å; E329-I333 PolarHBondContact O-N 2.74Å; I333-D335 VanDerWaalsContact C-N 3.34Å; I333-D335 PolarHBondContact O-N 2.89Å; I333-G410 WeakPolarHBondContact CD1-O 3.29Å; I333-G542 CarbonylContact O-C 3.4Å; I333-G542 VanDerWaalsContact O-O 3.07Å; I333-R543 WeakPolarHBondContact O-CA 3.43Å |
| 334 | G | 59.2 | Low | 69.3 | Low | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 64.2 | 32.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115 | L336 | G334-L336 PolarHBondContact O-N 3.09Š| ||
| 335 | D | 57.8 | Low | 66.7 | Low | 45 Ų | 45 | 30.8 Ų | 30.8 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | trans | -47.6 | 119.2 | -172.9 | -167.7 | -36.8 | 0 | 0 | 0 | 112.5 | I333 T337 L338 | I333-D335 VanDerWaalsContact C-N 3.34Å; I333-D335 PolarHBondContact O-N 2.89Å; D335-T337 VanDerWaalsContact CG-OG1 3.23Å; D335-T337 PolarHBondContact O-N 3.07Å; D335-T337 VanDerWaalsContact O-N 3.13Å; D335-T337 WeakPolarHBondContact OD1-CB 3.41Å; D335-T337 WeakPolarHBondContact OD1-CG2 3.17Å; D335-T337 PolarHBondContact OD1-N 3.17Å; D335-T337 PolarHBondContact OD1-OG1 3.39Å; D335-L338 HydrophobicContact CB-CD1 4.21Å; D335-L338 HydrophobicContact CB-CG 4.37Å; D335-L338 WeakPolarHBondContact O-CB 3.33Å; D335-L338 PolarHBondContact O-N 3.34Å; D335-L338 VanDerWaalsContact O-N 3.09Å | ||
| 336 | L | 50.1 | Low | 63.8 | Low | 118 Ų | 118 | 36.2 Ų | 36.2 | 62% | 0.618 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -9.2 | -176.2 | -81.9 | 161.7 | 0 | 0 | 0 | 113.9 | G334 P339 V544 | G334-L336 PolarHBondContact O-N 3.09Å; L336-P339 WeakPolarHBondContact O-CD 3.44Å; L336-V544 HydrophobicContact CD1-CG2 4.29Å; L336-V544 HydrophobicContact CD2-CG2 3.84Å; L336-V544 HydrophobicContact CG-CG2 3.96Å |
| 337 | T | 55.1 | Low | 61 | Low | 77 Ų | 77 | 41.6 Ų | 41.6 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -26.8 | 171.3 | 62 | 0 | 0 | 0 | 0 | 113 | D335 G340 L341 | D335-T337 VanDerWaalsContact CG-OG1 3.23Å; D335-T337 PolarHBondContact O-N 3.07Å; D335-T337 VanDerWaalsContact O-N 3.13Å; D335-T337 WeakPolarHBondContact OD1-CB 3.41Å; D335-T337 WeakPolarHBondContact OD1-CG2 3.17Å; D335-T337 PolarHBondContact OD1-N 3.17Å; D335-T337 PolarHBondContact OD1-OG1 3.39Å; T337-G340 WeakPolarHBondContact O-CA 3.42Å; T337-G340 PolarHBondContact O-N 3.44Å; T337-L341 PolarHBondContact O-N 2.95Å |
| 338 | L | 58.3 | Low | 57.9 | Low | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -52.6 | -45.4 | -176.7 | -78 | 164.3 | 0 | 0 | 0 | 114.2 | I275 I279 D335 G340 L341 I342 L413 L417 | I275-L338 HydrophobicContact CG2-CD2 3.96Å; I279-L338 HydrophobicContact CG2-CD1 4.43Å; D335-L338 HydrophobicContact CB-CD1 4.21Å; D335-L338 HydrophobicContact CB-CG 4.37Å; D335-L338 WeakPolarHBondContact O-CB 3.33Å; D335-L338 PolarHBondContact O-N 3.34Å; D335-L338 VanDerWaalsContact O-N 3.09Å; L338-G340 PolarHBondContact O-N 3.19Å; L338-L341 PolarHBondContact O-N 3.42Å; L338-I342 WeakPolarHBondContact O-CG1 3.23Å; L338-I342 PolarHBondContact O-N 2.96Å; L338-L413 HydrophobicContact CD1-CD2 4.2Å; L338-L417 HydrophobicContact CD2-CD1 3.69Å; L338-L417 HydrophobicContact CD2-CD2 3.92Å; L338-L417 HydrophobicContact CD2-CG 4.45Å; L338-L417 HydrophobicContact CG-CD1 4.37Å |
| 339 | P | 53.6 | Low | 55.1 | Low | 42 Ų | 42 | 52.4 Ų | 52.4 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -25.8 | 178.1 | -23 | 35.7 | 0 | 0 | 0 | 114.2 | F283 L336 | F283-P339 HydrophobicContact CD2-CG 4.23Å; F283-P339 HydrophobicContact CE2-CG 4.16Å; F283-P339 HydrophobicContact CZ-CG 4.39Å; L336-P339 WeakPolarHBondContact O-CD 3.44Å |
| 340 | G | 51.7 | Low | 52.1 | Low | 68 Ų | 68 | 57.4 Ų | 57.4 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -83.9 | -29.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | T337 L338 I342 | T337-G340 WeakPolarHBondContact O-CA 3.42Å; T337-G340 PolarHBondContact O-N 3.44Å; L338-G340 PolarHBondContact O-N 3.19Å; G340-I342 VanDerWaalsContact C-N 3.27Å; G340-I342 PolarHBondContact O-N 3Å |
| 341 | L | 55.4 | Low | 49.2 | Very low | 59 Ų | 59 | 65.1 Ų | 65.1 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.3 | -18.7 | 174.5 | -68.8 | 167.6 | 0 | 0 | 0 | 113.2 | T337 L338 I343 L417 V421 L427 | T337-L341 PolarHBondContact O-N 2.95Å; L338-L341 PolarHBondContact O-N 3.42Å; L341-I343 PolarHBondContact O-N 3.35Å; L341-L417 HydrophobicContact CD1-CD1 4.41Å; L341-V421 HydrophobicContact CD2-CG1 4.48Å; L341-L427 HydrophobicContact CB-CD1 4.1Å |
| 342 | I | 55.9 | Low | 46.4 | Very low | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -80.8 | 113.2 | 172.4 | -60.9 | 165.6 | 0 | 0 | 0 | 108.3 | Y280 R299 L338 G340 L427 | Y280-I342 HydrophobicContact CD2-CD1 3.66Å; Y280-I342 HydrophobicContact CG-CD1 4.05Å; R299-I342 PolarHBondContact NH1-O 3.2Å; R299-I342 PolarHBondContact NH2-O 3.44Å; L338-I342 WeakPolarHBondContact O-CG1 3.23Å; L338-I342 PolarHBondContact O-N 2.96Å; G340-I342 VanDerWaalsContact C-N 3.27Å; G340-I342 PolarHBondContact O-N 3Å; I342-L427 HydrophobicContact CG1-CB 4.16Å; I342-L427 WeakPolarHBondContact CG2-O 3.48Å |
| 343 | I | 53 | Low | 43.9 | Very low | 78 Ų | 78 | 77.9 Ų | 77.9 | 40% | 0.4 | 46% | 0.463 | S | S | . | . | trans | -73.4 | 145.6 | -177.6 | -55.7 | -166.4 | 0 | 0 | 0 | 110.9 | R299 L341 P426 | R299-I343 VanDerWaalsContact NH2-C 3.28Å; R299-I343 PolarHBondContact NH2-O 2.87Å; L341-I343 PolarHBondContact O-N 3.35Å; I343-P426 HydrophobicContact CB-CB 4.4Å; I343-P426 HydrophobicContact CD1-CB 3.68Å; I343-P426 HydrophobicContact CG1-CB 3.93Å | ||
| 344 | P | 42.1 | Very low | 41.9 | Very low | 67 Ų | 67 | 82 Ų | 82 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | trans | -62.1 | 138.8 | 170.5 | -19.7 | 32.2 | 0 | 0 | 0 | 112.5 | R299 N346 | R299-P344 VanDerWaalsContact NH2-N 3.14Å; P344-N346 PolarHBondContact O-N 3.39Å | ||
| 345 | C | 39.8 | Very low | 40.1 | Very low | 25 Ų | 25 | 87 Ų | 87 | 17% | 0.169 | 51% | 0.514 | C | S | . | . | trans | -75.6 | 59.1 | -177.3 | -49 | 0 | 0 | 0 | 0 | 113 | I347 I428 | C345-I347 VanDerWaalsContact C-N 3.34Å; C345-I347 PolarHBondContact O-N 3Å; C345-I347 VanDerWaalsContact O-N 3.14Å; C345-I428 HydrophobicContact CB-CD1 4.33Å | ||
| 346 | N | 30.5 | Very low | 38.6 | Very low | 116 Ų | 116 | 93.9 Ų | 93.9 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | trans | -85.6 | 71.1 | 177.3 | -75.6 | 5.1 | 0 | 0 | 0 | 110.9 | P344 | P344-N346 PolarHBondContact O-N 3.39Š| ||
| 347 | I | 35.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 94.9 Ų | 94.9 | 59% | 0.585 | 55% | 0.548 | S | S | * | . | trans | -128 | 117.9 | 171.3 | -55.8 | 178.7 | 0 | 0 | 0 | 108.8 | C345 C349 | C345-I347 VanDerWaalsContact C-N 3.34Å; C345-I347 PolarHBondContact O-N 3Å; C345-I347 VanDerWaalsContact O-N 3.14Å; I347-C349 PolarHBondContact O-N 3.15Å | ||
| 348 | P | 26.7 | Very low | 36 | Very low | 120 Ų | 120 | 98.6 Ų | 98.6 | 78% | 0.779 | 57% | 0.565 | S | S | * | * | trans | -77.1 | 86.3 | 176.4 | 31.8 | -33.3 | 0 | 0 | 0 | 110.2 | S350 | P348-S350 VanDerWaalsContact C-N 3.34Å; P348-S350 PolarHBondContact O-N 3.39Å | ||
| 349 | C | 29.6 | Very low | 34.3 | Very low | 108 Ų | 108 | 102.7 Ų | 102.7 | 73% | 0.73 | 59% | 0.594 | S | S | * | * | trans | -72.9 | 86.2 | 175.5 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | I347 | I347-C349 PolarHBondContact O-N 3.15Š| ||
| 350 | S | 24.7 | Very low | 32.9 | Very low | 106 Ų | 106 | 107 Ų | 107 | 74% | 0.741 | 62% | 0.62 | S | S | * | * | trans | -58.7 | 136.2 | 173.1 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | P348 | P348-S350 VanDerWaalsContact C-N 3.34Å; P348-S350 PolarHBondContact O-N 3.39Å | ||
| 351 | N | 24.2 | Very low | 31.7 | Very low | 165 Ų | 165 | 109.8 Ų | 109.8 | 88% | 0.882 | 62% | 0.623 | S | S | * | * | trans | 59.7 | 72.8 | 167.6 | -61.4 | -12.2 | 0 | 0 | 0 | 117.2 | ||||
| 352 | S | 26.6 | Very low | 30.3 | Very low | 88 Ų | 88 | 115 Ų | 115 | 62% | 0.615 | 65% | 0.646 | S | S | * | * | trans | -126.4 | 118.2 | 135.1 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | I354 | S352-I354 PolarHBondContact O-N 3.34Å; S352-I354 VanDerWaalsContact O-N 3.08Å | ||
| 353 | Q | 24.4 | Very low | 28.6 | Very low | 187 Ų | 187 | 120.8 Ų | 120.8 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | trans | -81.1 | 83.9 | 178.2 | -77.2 | -175.2 | -37.6 | 0 | 0 | 110.1 | V355 | Q353-V355 HydrophobicContact CB-CG2 4.39Å; Q353-V355 PolarHBondContact O-N 3.38Å; Q353-V355 VanDerWaalsContact O-N 3.13Å | ||
| 354 | I | 25.8 | Very low | 27.2 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 66% | 0.656 | 70% | 0.701 | S | S | * | * | trans | -75.1 | 97.1 | 160.5 | -56.7 | -178.5 | 0 | 0 | 0 | 107.1 | S352 F356 | S352-I354 PolarHBondContact O-N 3.34Å; S352-I354 VanDerWaalsContact O-N 3.08Å; I354-F356 HydrophobicContact CG2-CD2 3.6Å; I354-F356 HydrophobicContact CG2-CE2 3.5Å; I354-F356 HydrophobicContact CG2-CZ 4.44Å; I354-F356 PolarHBondContact O-N 3.11Å | ||
| 355 | V | 22.4 | Very low | 26.3 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | trans | -73.8 | 90.3 | 179.8 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | Q353 N357 | Q353-V355 HydrophobicContact CB-CG2 4.39Å; Q353-V355 PolarHBondContact O-N 3.38Å; Q353-V355 VanDerWaalsContact O-N 3.13Å; V355-N357 VanDerWaalsContact CG1-OD1 3.32Å; V355-N357 WeakPolarHBondContact CG1-OD1 3.44Å | ||
| 356 | F | 25.3 | Very low | 25.6 | Very low | 189 Ų | 189 | 130.5 Ų | 130.5 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | -97.1 | 106.4 | 158 | -78.3 | -67.5 | 0 | 0 | 0 | 108.9 | I354 D358 | I354-F356 HydrophobicContact CG2-CD2 3.6Å; I354-F356 HydrophobicContact CG2-CE2 3.5Å; I354-F356 HydrophobicContact CG2-CZ 4.44Å; I354-F356 PolarHBondContact O-N 3.11Å; F356-D358 PolarHBondContact O-N 2.91Å | ||
| 357 | N | 26.8 | Very low | 25.2 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -71.9 | 117 | 171.6 | -70.2 | -8.4 | 0 | 0 | 0 | 109.9 | V355 | V355-N357 VanDerWaalsContact CG1-OD1 3.32Å; V355-N357 WeakPolarHBondContact CG1-OD1 3.44Å | ||
| 358 | D | 23.8 | Very low | 24.7 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 46.8 | 143.6 | 138.5 | -86.5 | -37.2 | 0 | 0 | 0 | 121.7 | F356 | F356-D358 PolarHBondContact O-N 2.91Š| ||
| 359 | S | 23 | Very low | 24.4 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | cis | -162.4 | 170 | 9.9 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 360 | T | 22.9 | Very low | 24.2 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | trans | 71.5 | 136.6 | 171.7 | 76.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 361 | T | 27.9 | Very low | 24.1 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | cis | -139.4 | 135.6 | 21.1 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 362 | Q | 24.9 | Very low | 24.2 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 27 | 126.1 | 149.1 | -66.2 | -167.8 | -94 | 0 | 0 | 123.7 | ||||
| 363 | D | 20.5 | Very low | 24.1 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | 48.3 | 114.6 | 123.3 | -45.3 | -34.9 | 0 | 0 | 0 | 121.2 | |||||
| 364 | C | 24.7 | Very low | 24.4 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 91% | 0.912 | 75% | 0.752 | S | S | * | * | -166.5 | 132.8 | 112.6 | -122.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 365 | S | 22 | Very low | 24.7 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -111.5 | 117.3 | 179.8 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 366 | V | 24.7 | Very low | 24.9 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | -142.5 | 131.3 | 164.2 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 367 | S | 23.1 | Very low | 25 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -90.9 | 143 | 172.5 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 368 | F | 23.7 | Very low | 25.1 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -154.7 | 143.2 | 148.2 | -109.3 | -70.5 | 0 | 0 | 0 | 112.5 | ||||
| 369 | Q | 21.8 | Very low | 25.2 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -94.2 | 144 | 170.6 | -57.1 | 151.4 | -93.8 | 0 | 0 | 109.2 | ||||
| 370 | N | 24.4 | Very low | 25.6 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | 168.7 | 145.2 | 111.9 | -90.9 | -8.3 | 0 | 0 | 0 | 114.6 | |||||
| 371 | N | 23.3 | Very low | 26.4 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | trans | 52.2 | 101.2 | 142.3 | -52.7 | 3.4 | 0 | 0 | 0 | 119.4 | ||||
| 372 | L | 27.2 | Very low | 27.1 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | -109.4 | 113 | 123.7 | -77.7 | 172.2 | 0 | 0 | 0 | 107.5 | |||||
| 373 | N | 23.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 134.3 | 167.9 | -75.7 | 30.6 | 0 | 0 | 0 | 108.8 | ||||
| 374 | Y | 31.2 | Very low | 30.5 | Very low | 220 Ų | 220 | 134.9 Ų | 134.9 | 86% | 0.863 | 75% | 0.747 | S | S | * | * | trans | -123.3 | 124.5 | 148.4 | -88.3 | -86.1 | 0 | 0 | 0 | 106 | ||||
| 375 | D | 31.1 | Very low | 33.5 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | -74.9 | 134.3 | -175.9 | -65 | -40.6 | 0 | 0 | 0 | 111.2 | ||||
| 376 | E | 27.8 | Very low | 36.7 | Very low | 177 Ų | 177 | 129.7 Ų | 129.7 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | 27.2 | 106.3 | 148.7 | -57.3 | -177.3 | 161.7 | 0 | 0 | 118.6 | ||||
| 377 | T | 26.1 | Very low | 40 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 88% | 0.877 | 67% | 0.668 | S | S | * | * | 176.8 | 88.2 | 115.4 | 27 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 378 | D | 28.9 | Very low | 43.3 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 76% | 0.759 | 65% | 0.645 | S | S | * | * | 177.5 | 112.1 | 113.3 | -129.2 | -24.4 | 0 | 0 | 0 | 111.1 | T380 | D378-T380 PolarHBondContact O-N 3.4Š| |||
| 379 | D | 26 | Very low | 46.5 | Very low | 175 Ų | 175 | 115 Ų | 115 | 94% | 0.936 | 62% | 0.621 | S | S | * | * | trans | -82.6 | 62.8 | 174.6 | -96.6 | -45.4 | 0 | 0 | 0 | 111 | ||||
| 380 | T | 32.7 | Very low | 49.9 | Very low | 94 Ų | 94 | 107.8 Ų | 107.8 | 58% | 0.577 | 59% | 0.587 | S | S | * | * | trans | -131 | 65.2 | 172.5 | 54 | 0 | 0 | 0 | 0 | 112.8 | D378 S382 | D378-T380 PolarHBondContact O-N 3.4Å; T380-S382 PolarHBondContact O-N 2.79Å; T380-S382 PolarHBondContact O-OG 2.89Å | ||
| 381 | A | 39.4 | Very low | 53.2 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 93% | 0.934 | 55% | 0.554 | S | S | * | * | trans | -67 | 67.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 382 | S | 43.1 | Very low | 56.5 | Low | 73 Ų | 73 | 100.2 Ų | 100.2 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | trans | -78.1 | 146.8 | 176.3 | 48.4 | 0 | 0 | 0 | 0 | 111 | T380 D384 | T380-S382 PolarHBondContact O-N 2.79Å; T380-S382 PolarHBondContact O-OG 2.89Å; S382-D384 PolarHBondContact O-N 2.99Å | ||
| 383 | D | 52.1 | Low | 59.6 | Low | 174 Ų | 174 | 93.1 Ų | 93.1 | 93% | 0.93 | 50% | 0.504 | S | S | * | . | trans | -67.3 | 75.1 | 165.1 | -71.5 | -52 | 0 | 0 | 0 | 109.5 | D385 | D383-D385 PolarHBondContact O-N 3.44Å; D383-D385 VanDerWaalsContact O-N 3.13Å | ||
| 384 | D | 63.8 | Low | 62.9 | Low | 36 Ų | 36 | 87.5 Ų | 87.5 | 19% | 0.193 | 47% | 0.474 | C | S | . | . | trans | -61.5 | 111.4 | 170.1 | -100.7 | -46.2 | 0 | 0 | 0 | 109 | S382 N389 R392 K424 | S382-D384 PolarHBondContact O-N 2.99Å; D384-N389 WeakPolarHBondContact CB-ND2 3.34Å; D384-N389 PolarHBondContact O-ND2 3.18Å; D384-N389 VanDerWaalsContact O-ND2 3.16Å; D384-R392 IonicContact OD1-CZ 3.2Å; D384-R392 VanDerWaalsContact OD1-CZ 3.25Å; D384-R392 IonicContact OD1-NH1 3.4Å; D384-R392 PolarHBondContact OD1-NH1 2.95Å; D384-R392 IonicContact OD1-NH2 3.32Å; D384-R392 PolarHBondContact OD1-NH2 2.87Å; D384-R392 IonicContact OD2-CZ 2.91Å; D384-R392 IonicContact OD2-NH1 3.66Å; D384-R392 PolarHBondContact OD2-NH1 3.49Å; D384-R392 VanDerWaalsContact OD2-NH1 3.14Å; D384-R392 IonicContact OD2-NH2 3.31Å; D384-K424 IonicContact OD2-NZ 2.82Å; D384-K424 PolarHBondContact OD2-NZ 3.09Å | ||
| 385 | D | 87.1 | Confident | 65.9 | Low | 85 Ų | 85 | 77.7 Ų | 77.7 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | trans | -40.4 | 124.5 | 172 | 170 | 9 | 0 | 0 | 0 | 110.7 | D383 A387 M388 N389 | D383-D385 PolarHBondContact O-N 3.44Å; D383-D385 VanDerWaalsContact O-N 3.13Å; D385-A387 PolarHBondContact O-N 3.32Å; D385-A387 VanDerWaalsContact O-N 3.1Å; D385-A387 WeakPolarHBondContact OD1-CB 3.5Å; D385-A387 PolarHBondContact OD1-N 2.73Å; D385-M388 HydrophobicContact CB-CB 4.31Å; D385-M388 HydrophobicContact CB-CG 3.85Å; D385-M388 WeakPolarHBondContact O-CA 3.5Å; D385-M388 VanDerWaalsContact O-CB 3.25Å; D385-M388 WeakPolarHBondContact O-CB 3.47Å; D385-M388 PolarHBondContact O-N 2.77Å; D385-N389 PolarHBondContact O-N 2.8Å | ||
| 386 | P | 90.7 | Very high | 68.8 | Low | 56 Ų | 56 | 72 Ų | 72 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -54 | -32.2 | 179.5 | -26.8 | 34.4 | 0 | 0 | 0 | 113.9 | M388 N389 I390 Q442 | P386-M388 VanDerWaalsContact C-N 3.35Å; P386-M388 PolarHBondContact O-N 3.21Å; P386-N389 PolarHBondContact O-N 2.98Å; P386-N389 VanDerWaalsContact O-N 3.17Å; P386-I390 VanDerWaalsContact O-CG1 3.3Å; P386-I390 WeakPolarHBondContact O-CG1 3.24Å; P386-I390 PolarHBondContact O-N 3.33Å; P386-Q442 HydrophobicContact CB-CB 4.01Å; P386-Q442 HydrophobicContact CB-CG 4.08Å; P386-Q442 HydrophobicContact CG-CG 4.41Å |
| 387 | A | 92.1 | Very high | 71.9 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D385 N389 A391 V446 | D385-A387 PolarHBondContact O-N 3.32Å; D385-A387 VanDerWaalsContact O-N 3.1Å; D385-A387 WeakPolarHBondContact OD1-CB 3.5Å; D385-A387 PolarHBondContact OD1-N 2.73Å; A387-N389 VanDerWaalsContact C-N 3.34Å; A387-A391 VanDerWaalsContact O-CB 3.24Å; A387-A391 WeakPolarHBondContact O-CB 3.48Å; A387-A391 PolarHBondContact O-N 3.14Å; A387-V446 HydrophobicContact CB-CG2 4.07Å |
| 388 | M | 92.4 | Very high | 75.1 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 24% | 0.236 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 171.3 | -67.3 | -75.7 | -62.9 | 0 | 0 | 111.2 | D385 P386 A391 R392 L450 L454 | D385-M388 HydrophobicContact CB-CB 4.31Å; D385-M388 HydrophobicContact CB-CG 3.85Å; D385-M388 WeakPolarHBondContact O-CA 3.5Å; D385-M388 VanDerWaalsContact O-CB 3.25Å; D385-M388 WeakPolarHBondContact O-CB 3.47Å; D385-M388 PolarHBondContact O-N 2.77Å; P386-M388 VanDerWaalsContact C-N 3.35Å; P386-M388 PolarHBondContact O-N 3.21Å; M388-A391 PolarHBondContact O-N 3.44Å; M388-R392 WeakPolarHBondContact O-CB 3.39Å; M388-R392 WeakPolarHBondContact O-CD 3.37Å; M388-R392 WeakPolarHBondContact O-CG 3.41Å; M388-R392 PolarHBondContact O-N 3.15Å; M388-L450 HydrophobicContact SD-CD1 3.42Å; M388-L450 WeakPolarHBondContact SD-CD1 3.48Å; M388-L450 HydrophobicContact SD-CD2 4.32Å; M388-L454 HydrophobicContact CE-CD2 4.24Å |
| 389 | N | 91.2 | Very high | 78.2 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70 | -39 | -179.7 | -68.4 | -36 | 0 | 0 | 0 | 112.7 | D384 D385 P386 A387 R392 T393 | D384-N389 WeakPolarHBondContact CB-ND2 3.34Å; D384-N389 PolarHBondContact O-ND2 3.18Å; D384-N389 VanDerWaalsContact O-ND2 3.16Å; D385-N389 PolarHBondContact O-N 2.8Å; P386-N389 PolarHBondContact O-N 2.98Å; P386-N389 VanDerWaalsContact O-N 3.17Å; A387-N389 VanDerWaalsContact C-N 3.34Å; N389-R392 PolarHBondContact OD1-NH1 3.25Å; N389-T393 WeakPolarHBondContact O-CB 3.41Å; N389-T393 PolarHBondContact O-N 3.42Å; N389-T393 VanDerWaalsContact O-N 3.09Å; N389-T393 PolarHBondContact O-OG1 3.17Å |
| 390 | I | 93.1 | Very high | 81.4 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -49.8 | 172.5 | -66.7 | 163.3 | 0 | 0 | 0 | 109.9 | L210 I211 P386 R392 T393 L394 Q442 A443 V446 | L210-I390 HydrophobicContact CD2-CB 4.49Å; L210-I390 HydrophobicContact CD2-CG2 4.07Å; I211-I390 HydrophobicContact CD1-CD1 4.11Å; I211-I390 HydrophobicContact CD1-CG1 4.3Å; P386-I390 VanDerWaalsContact O-CG1 3.3Å; P386-I390 WeakPolarHBondContact O-CG1 3.24Å; P386-I390 PolarHBondContact O-N 3.33Å; I390-R392 PolarHBondContact O-N 3.38Å; I390-T393 PolarHBondContact O-N 2.79Å; I390-T393 VanDerWaalsContact O-N 3.09Å; I390-L394 HydrophobicContact CG2-CD1 4.28Å; I390-L394 WeakPolarHBondContact O-CG 3.29Å; I390-L394 PolarHBondContact O-N 2.91Å; I390-Q442 HydrophobicContact CD1-CB 4.28Å; I390-A443 HydrophobicContact CD1-CB 3.94Å; I390-V446 HydrophobicContact CB-CG2 4Å; I390-V446 HydrophobicContact CG2-CG2 3.76Å |
| 391 | A | 93.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A387 M388 T393 L394 I395 V446 L450 M451 L454 | A387-A391 VanDerWaalsContact O-CB 3.24Å; A387-A391 WeakPolarHBondContact O-CB 3.48Å; A387-A391 PolarHBondContact O-N 3.14Å; M388-A391 PolarHBondContact O-N 3.44Å; A391-T393 PolarHBondContact O-N 3.4Å; A391-L394 PolarHBondContact O-N 3.29Å; A391-I395 WeakPolarHBondContact O-CG1 3.48Å; A391-I395 PolarHBondContact O-N 3.22Å; A391-I395 VanDerWaalsContact O-N 3.08Å; A391-V446 HydrophobicContact CB-CG1 4.18Å; A391-L450 HydrophobicContact CB-CD2 3.98Å; A391-L450 HydrophobicContact CB-CG 4.19Å; A391-M451 HydrophobicContact CB-SD 3.74Å; A391-L454 HydrophobicContact CB-CD1 3.73Å |
| 392 | R | 92.8 | Very high | 87 | Confident | 87 Ų | 87 | 34.6 Ų | 34.6 | 33% | 0.328 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.8 | -36.3 | 174 | -72.3 | 166.3 | -174.7 | 146.9 | -7.3 | 112.2 | D384 M388 N389 I390 A396 L454 | D384-R392 IonicContact OD1-CZ 3.2Å; D384-R392 VanDerWaalsContact OD1-CZ 3.25Å; D384-R392 IonicContact OD1-NH1 3.4Å; D384-R392 PolarHBondContact OD1-NH1 2.95Å; D384-R392 IonicContact OD1-NH2 3.32Å; D384-R392 PolarHBondContact OD1-NH2 2.87Å; D384-R392 IonicContact OD2-CZ 2.91Å; D384-R392 IonicContact OD2-NH1 3.66Å; D384-R392 PolarHBondContact OD2-NH1 3.49Å; D384-R392 VanDerWaalsContact OD2-NH1 3.14Å; D384-R392 IonicContact OD2-NH2 3.31Å; M388-R392 WeakPolarHBondContact O-CB 3.39Å; M388-R392 WeakPolarHBondContact O-CD 3.37Å; M388-R392 WeakPolarHBondContact O-CG 3.41Å; M388-R392 PolarHBondContact O-N 3.15Å; N389-R392 PolarHBondContact OD1-NH1 3.25Å; I390-R392 PolarHBondContact O-N 3.38Å; R392-A396 VanDerWaalsContact O-CB 3.29Å; R392-A396 WeakPolarHBondContact O-CB 3.2Å; R392-A396 PolarHBondContact O-N 3.19Å; R392-L454 HydrophobicContact CG-CD1 4.28Å |
| 393 | T | 92.2 | Very high | 89.3 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.4 | -39.8 | -178.9 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | L210 N389 I390 A391 I395 A396 A397 N425 | L210-T393 HydrophobicContact CD1-CG2 3.86Å; L210-T393 HydrophobicContact CD2-CG2 3.73Å; L210-T393 HydrophobicContact CG-CG2 4.47Å; N389-T393 WeakPolarHBondContact O-CB 3.41Å; N389-T393 PolarHBondContact O-N 3.42Å; N389-T393 VanDerWaalsContact O-N 3.09Å; N389-T393 PolarHBondContact O-OG1 3.17Å; I390-T393 PolarHBondContact O-N 2.79Å; I390-T393 VanDerWaalsContact O-N 3.09Å; A391-T393 PolarHBondContact O-N 3.4Å; T393-I395 VanDerWaalsContact C-N 3.33Å; T393-I395 PolarHBondContact O-N 2.96Å; T393-A396 PolarHBondContact O-N 3.36Å; T393-A397 PolarHBondContact O-N 2.98Å; T393-N425 PolarHBondContact OG1-ND2 3.34Å; T393-N425 PolarHBondContact OG1-OD1 2.81Å |
| 394 | L | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 170.8 | -69 | 170.5 | 0 | 0 | 0 | 111.5 | S209 L210 V264 I390 A391 A397 T398 M451 | S209-L394 WeakPolarHBondContact OG-CD2 3.27Å; L210-L394 HydrophobicContact CB-CD2 3.95Å; V264-L394 HydrophobicContact CB-CD2 4.49Å; V264-L394 HydrophobicContact CG1-CD2 4.04Å; V264-L394 HydrophobicContact CG2-CD2 3.55Å; I390-L394 HydrophobicContact CG2-CD1 4.28Å; I390-L394 WeakPolarHBondContact O-CG 3.29Å; I390-L394 PolarHBondContact O-N 2.91Å; A391-L394 PolarHBondContact O-N 3.29Å; L394-A397 PolarHBondContact O-N 3.26Å; L394-T398 PolarHBondContact O-N 3.35Å; L394-T398 PolarHBondContact O-OG1 2.68Å; L394-M451 HydrophobicContact CB-CE 4.23Å; L394-M451 HydrophobicContact CD1-SD 4.33Å |
| 395 | I | 93.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 7% | 0.067 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68 | -42.2 | 178.7 | -65.6 | 169.3 | 0 | 0 | 0 | 110.7 | A391 T393 A397 T398 V399 M451 L454 W455 P456 | A391-I395 WeakPolarHBondContact O-CG1 3.48Å; A391-I395 PolarHBondContact O-N 3.22Å; A391-I395 VanDerWaalsContact O-N 3.08Å; T393-I395 VanDerWaalsContact C-N 3.33Å; T393-I395 PolarHBondContact O-N 2.96Å; I395-A397 PolarHBondContact O-N 2.97Å; I395-T398 PolarHBondContact O-N 2.87Å; I395-V399 HydrophobicContact CG2-CG2 4.13Å; I395-V399 WeakPolarHBondContact O-CB 3.48Å; I395-V399 VanDerWaalsContact O-CG2 3.28Å; I395-V399 WeakPolarHBondContact O-CG2 3.34Å; I395-V399 PolarHBondContact O-N 2.83Å; I395-M451 HydrophobicContact CD1-CE 4.02Å; I395-M451 HydrophobicContact CD1-SD 4.1Å; I395-M451 HydrophobicContact CG1-CE 3.65Å; I395-M451 HydrophobicContact CG1-SD 4.24Å; I395-L454 HydrophobicContact CD1-CB 3.37Å; I395-L454 HydrophobicContact CD1-CD1 4.46Å; I395-W455 HydrophobicContact CD1-CE3 4.42Å; I395-W455 HydrophobicContact CG1-CE3 4.09Å; I395-W455 HydrophobicContact CG1-CZ3 4.15Å; I395-P456 HydrophobicContact CG2-CG 4.16Å |
| 396 | A | 91.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 29.8 Ų | 29.8 | 15% | 0.149 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R392 T393 V399 S400 | R392-A396 VanDerWaalsContact O-CB 3.29Å; R392-A396 WeakPolarHBondContact O-CB 3.2Å; R392-A396 PolarHBondContact O-N 3.19Å; T393-A396 PolarHBondContact O-N 3.36Å; A396-V399 PolarHBondContact O-N 3.17Å; A396-S400 WeakPolarHBondContact O-CB 3.4Å; A396-S400 PolarHBondContact O-N 2.76Å; A396-S400 PolarHBondContact O-OG 3.48Å |
| 397 | A | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58 | -49.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D267 T393 L394 I395 S400 L401 | D267-A397 HydrophobicContact CB-CB 3.49Å; D267-A397 VanDerWaalsContact CB-CB 3.49Å; D267-A397 VanDerWaalsContact CG-CB 3.45Å; D267-A397 WeakPolarHBondContact OD1-CA 3.26Å; T393-A397 PolarHBondContact O-N 2.98Å; L394-A397 PolarHBondContact O-N 3.26Å; I395-A397 PolarHBondContact O-N 2.97Å; A397-S400 PolarHBondContact O-N 3.39Å; A397-L401 PolarHBondContact O-N 3.45Å; A397-L401 VanDerWaalsContact O-N 3.14Å |
| 398 | T | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 179.3 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | E263 L394 I395 S400 R402 W455 M459 L462 | E263-T398 WeakPolarHBondContact OE2-CG2 3.48Å; L394-T398 PolarHBondContact O-N 3.35Å; L394-T398 PolarHBondContact O-OG1 2.68Å; I395-T398 PolarHBondContact O-N 2.87Å; T398-S400 PolarHBondContact O-N 3Å; T398-R402 WeakPolarHBondContact O-CG 3.17Å; T398-R402 PolarHBondContact O-N 2.8Å; T398-R402 VanDerWaalsContact O-N 3.08Å; T398-W455 HydrophobicContact CG2-CH2 3.67Å; T398-W455 HydrophobicContact CG2-CZ2 4.47Å; T398-M459 HydrophobicContact CG2-CE 3.52Å; T398-L462 HydrophobicContact CG2-CD2 4.22Å |
| 399 | V | 93.7 | Very high | 92.6 | Very high | 36 Ų | 36 | 31.2 Ų | 31.2 | 22% | 0.218 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 111 | I395 A396 L401 A403 H419 P456 M459 | I395-V399 HydrophobicContact CG2-CG2 4.13Å; I395-V399 WeakPolarHBondContact O-CB 3.48Å; I395-V399 VanDerWaalsContact O-CG2 3.28Å; I395-V399 WeakPolarHBondContact O-CG2 3.34Å; I395-V399 PolarHBondContact O-N 2.83Å; A396-V399 PolarHBondContact O-N 3.17Å; V399-L401 PolarHBondContact O-N 3.35Å; V399-A403 VanDerWaalsContact O-CB 3.23Å; V399-A403 WeakPolarHBondContact O-CB 3.35Å; V399-A403 PolarHBondContact O-N 2.63Å; V399-H419 HydrophobicContact CG1-CB 4.16Å; V399-P456 HydrophobicContact CG2-CG 3.94Å; V399-M459 HydrophobicContact CG2-CE 4.09Å; V399-M459 HydrophobicContact CG2-SD 3.63Å |
| 400 | S | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | -176.8 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | A396 A397 T398 S404 H419 S420 | A396-S400 WeakPolarHBondContact O-CB 3.4Å; A396-S400 PolarHBondContact O-N 2.76Å; A396-S400 PolarHBondContact O-OG 3.48Å; A397-S400 PolarHBondContact O-N 3.39Å; T398-S400 PolarHBondContact O-N 3Å; S400-S404 PolarHBondContact O-N 3.47Å; S400-H419 PolarHBondContact OG-O 2.91Å; S400-S420 WeakPolarHBondContact OG-CA 3.46Å; S400-S420 WeakPolarHBondContact OG-CB 3.4Å; S400-S420 PolarHBondContact OG-N 3.16Å |
| 401 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.6 | -43.8 | -179.2 | -69.7 | 171.7 | 0 | 0 | 0 | 112 | E263 C266 D267 L270 L326 A397 V399 A403 S404 D405 Y416 | E263-L401 HydrophobicContact CB-CD1 4.1Å; E263-L401 HydrophobicContact CG-CB 4.49Å; E263-L401 HydrophobicContact CG-CD1 4.21Å; E263-L401 WeakPolarHBondContact O-CD1 3.44Å; C266-L401 HydrophobicContact CB-CD1 3.87Å; D267-L401 HydrophobicContact CB-CD1 4.36Å; L270-L401 HydrophobicContact CD1-CD2 4.2Å; L326-L401 HydrophobicContact CD1-CD2 3.6Å; A397-L401 PolarHBondContact O-N 3.45Å; A397-L401 VanDerWaalsContact O-N 3.14Å; V399-L401 PolarHBondContact O-N 3.35Å; L401-A403 VanDerWaalsContact C-N 3.31Å; L401-A403 PolarHBondContact O-N 2.94Å; L401-S404 CarbonylContact O-C 3.59Å; L401-S404 WeakPolarHBondContact O-CA 3.49Å; L401-S404 WeakPolarHBondContact O-CB 3.48Å; L401-S404 PolarHBondContact O-N 2.75Å; L401-S404 PolarHBondContact O-OG 3.03Å; L401-D405 PolarHBondContact O-N 2.74Å; L401-Y416 HydrophobicContact CD2-CD2 3.82Å; L401-Y416 HydrophobicContact CD2-CE2 3.92Å; L401-Y416 HydrophobicContact CG-CD2 4.31Å; L401-Y416 HydrophobicContact CG-CE2 4.28Å |
| 402 | R | 94.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.1 | -29.9 | 177.7 | -62.9 | -166.7 | -159.4 | 178.8 | -8.4 | 113.3 | E259 E263 T398 S404 D405 Q406 M459 A460 P461 | E259-R402 IonicContact OE1-CZ 3.25Å; E259-R402 IonicContact OE1-NE 3.41Å; E259-R402 IonicContact OE1-NH1 2.74Å; E259-R402 IonicContact OE1-NH2 3.68Å; E259-R402 PolarHBondContact OE1-NH2 3.39Å; E263-R402 WeakPolarHBondContact OE1-CG 3.26Å; E263-R402 IonicContact OE1-CZ 2.81Å; E263-R402 IonicContact OE1-NE 2.64Å; E263-R402 PolarHBondContact OE1-NE 2.68Å; E263-R402 IonicContact OE1-NH2 3.52Å; E263-R402 PolarHBondContact OE1-NH2 3.46Å; E263-R402 IonicContact OE2-CZ 3.09Å; E263-R402 IonicContact OE2-NE 2.78Å; E263-R402 PolarHBondContact OE2-NE 2.86Å; E263-R402 IonicContact OE2-NH2 2.75Å; E263-R402 PolarHBondContact OE2-NH2 3.21Å; T398-R402 WeakPolarHBondContact O-CG 3.17Å; T398-R402 PolarHBondContact O-N 2.8Å; T398-R402 VanDerWaalsContact O-N 3.08Å; R402-S404 VanDerWaalsContact C-N 3.3Å; R402-D405 PolarHBondContact O-N 3.18Å; R402-Q406 WeakPolarHBondContact O-CG 3.25Å; R402-Q406 PolarHBondContact O-N 3.34Å; R402-M459 HydrophobicContact CB-CE 3.98Å; R402-M459 HydrophobicContact CG-CE 4.01Å; R402-A460 PolarHBondContact NH1-O 2.98Å; R402-P461 PolarHBondContact NH1-O 3.16Å |
| 403 | A | 92.5 | Very high | 91.5 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V399 L401 A407 H419 | V399-A403 VanDerWaalsContact O-CB 3.23Å; V399-A403 WeakPolarHBondContact O-CB 3.35Å; V399-A403 PolarHBondContact O-N 2.63Å; L401-A403 VanDerWaalsContact C-N 3.31Å; L401-A403 PolarHBondContact O-N 2.94Å; A403-A407 PolarHBondContact O-N 2.62Å; A403-H419 VanDerWaalsContact CB-CD2 3.44Å; A403-H419 WeakPolarHBondContact CB-CD2 3.24Å |
| 404 | S | 92.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.9 | -32.6 | 175.1 | 81.5 | 0 | 0 | 0 | 0 | 113.7 | S400 L401 R402 Q406 A407 R412 | S400-S404 PolarHBondContact O-N 3.47Å; L401-S404 CarbonylContact O-C 3.59Å; L401-S404 WeakPolarHBondContact O-CA 3.49Å; L401-S404 WeakPolarHBondContact O-CB 3.48Å; L401-S404 PolarHBondContact O-N 2.75Å; L401-S404 PolarHBondContact O-OG 3.03Å; R402-S404 VanDerWaalsContact C-N 3.3Å; S404-Q406 VanDerWaalsContact C-N 3.28Å; S404-Q406 PolarHBondContact O-N 2.95Å; S404-A407 PolarHBondContact O-N 2.9Å; S404-R412 VanDerWaalsContact CB-O 3.29Å; S404-R412 WeakPolarHBondContact CB-O 3.47Å; S404-R412 WeakPolarHBondContact O-CG 3.3Å |
| 405 | D | 92.4 | Very high | 90.9 | Very high | 73 Ų | 73 | 36.2 Ų | 36.2 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.8 | -31 | 175.1 | -70 | -26.7 | 0 | 0 | 0 | 111.8 | R322 L401 R402 | R322-D405 VanDerWaalsContact CD-CG 3.46Å; R322-D405 WeakPolarHBondContact CD-OD1 3.27Å; R322-D405 WeakPolarHBondContact CD-OD2 3.43Å; R322-D405 WeakPolarHBondContact CG-OD1 3.18Å; R322-D405 IonicContact NH1-OD2 2.83Å; R322-D405 PolarHBondContact NH1-OD2 3.14Å; L401-D405 PolarHBondContact O-N 2.74Å; R402-D405 PolarHBondContact O-N 3.18Å |
| 406 | Q | 91.6 | Very high | 90.8 | Very high | 170 Ų | 170 | 35.6 Ų | 35.6 | 79% | 0.794 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -84.4 | -16.7 | 175.1 | -67.5 | 175.6 | 23.8 | 0 | 0 | 113.6 | R402 S404 | R402-Q406 WeakPolarHBondContact O-CG 3.25Å; R402-Q406 PolarHBondContact O-N 3.34Å; S404-Q406 VanDerWaalsContact C-N 3.28Å; S404-Q406 PolarHBondContact O-N 2.95Å |
| 407 | A | 91.4 | Very high | 90.6 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -75.9 | 146.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A403 S404 R412 A415 | A403-A407 PolarHBondContact O-N 2.62Å; S404-A407 PolarHBondContact O-N 2.9Å; A407-R412 HydrophobicContact CB-CG 4.21Å; A407-A415 HydrophobicContact CB-CB 3.85Å |
| 408 | S | 90.5 | Very high | 90.2 | Very high | 68 Ų | 68 | 41 Ų | 41 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 145.4 | 172.9 | 51.1 | 0 | 0 | 0 | 0 | 111.1 | G410 K411 | S408-G410 PolarHBondContact O-N 3.14Å; S408-K411 PolarHBondContact O-N 2.73Å |
| 409 | P | 87.8 | Confident | 89.8 | Confident | 46 Ų | 46 | 45 Ų | 45 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 131.9 | 172 | -26.6 | 33.7 | 0 | 0 | 0 | 110.6 | A582 L586 | P409-A582 HydrophobicContact CB-CB 3.8Å; P409-A582 HydrophobicContact CG-CB 3.54Å; P409-L586 VanDerWaalsContact C-CD1 3.4Å; P409-L586 HydrophobicContact CB-CD1 3.8Å |
| 410 | G | 82.6 | Confident | 89.3 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -1.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E329 I333 S408 | E329-G410 VanDerWaalsContact CD-N 3.33Å; E329-G410 PolarHBondContact OE1-N 2.73Å; I333-G410 WeakPolarHBondContact CD1-O 3.29Å; S408-G410 PolarHBondContact O-N 3.14Å |
| 411 | K | 87.1 | Confident | 88.4 | Confident | 134 Ų | 134 | 45 Ų | 45 | 58% | 0.583 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -131.4 | -0.1 | 172.8 | -62.5 | -173.9 | -180 | -178.5 | 0 | 113.1 | E329 S408 L413 T414 A415 | E329-K411 PolarHBondContact OE2-N 2.74Å; S408-K411 PolarHBondContact O-N 2.73Å; K411-L413 PolarHBondContact O-N 3.28Å; K411-T414 PolarHBondContact O-N 2.72Å; K411-A415 PolarHBondContact O-N 2.8Å |
| 412 | R | 90.4 | Very high | 87.3 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 14% | 0.143 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | -176.6 | -56.2 | -178.6 | 167.3 | 143.4 | -19.7 | 110.9 | L326 E329 S404 A407 T414 A415 Y416 D580 T583 | L326-R412 VanDerWaalsContact CD2-C 3.49Å; L326-R412 HydrophobicContact CD2-CB 3.9Å; E329-R412 WeakPolarHBondContact OE1-CD 3.35Å; E329-R412 WeakPolarHBondContact OE1-CG 3.23Å; E329-R412 WeakPolarHBondContact OE2-CA 3.46Å; E329-R412 WeakPolarHBondContact OE2-CB 3.29Å; E329-R412 PolarHBondContact OE2-N 2.97Å; S404-R412 VanDerWaalsContact CB-O 3.29Å; S404-R412 WeakPolarHBondContact CB-O 3.47Å; S404-R412 WeakPolarHBondContact O-CG 3.3Å; A407-R412 HydrophobicContact CB-CG 4.21Å; R412-T414 PolarHBondContact O-N 2.8Å; R412-A415 PolarHBondContact O-N 3.45Å; R412-Y416 WeakPolarHBondContact O-CB 3.35Å; R412-Y416 PolarHBondContact O-N 3.24Å; R412-D580 IonicContact CZ-OD2 3.21Å; R412-D580 IonicContact NH1-OD1 2.89Å; R412-D580 IonicContact NH1-OD2 2.69Å; R412-D580 PolarHBondContact NH1-OD2 2.95Å; R412-D580 IonicContact NH2-OD2 3.96Å; R412-D580 PolarHBondContact NH2-OD2 3.04Å; R412-T583 PolarHBondContact NH1-OG1 3.21Å |
| 413 | L | 87.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.5 | -177.5 | 67.6 | 0 | 0 | 0 | 111.9 | I275 L326 E329 A330 L338 K411 A415 Y416 L417 | I275-L413 HydrophobicContact CD1-CD1 4.49Å; L326-L413 HydrophobicContact CD2-CB 4.39Å; E329-L413 HydrophobicContact CB-CB 4.04Å; E329-L413 PolarHBondContact OE2-N 2.74Å; A330-L413 VanDerWaalsContact CA-CD2 3.46Å; A330-L413 HydrophobicContact CB-CD1 4.19Å; A330-L413 HydrophobicContact CB-CD2 3.72Å; L338-L413 HydrophobicContact CD1-CD2 4.2Å; K411-L413 PolarHBondContact O-N 3.28Å; L413-A415 PolarHBondContact O-N 3.47Å; L413-Y416 PolarHBondContact O-N 2.74Å; L413-L417 HydrophobicContact CD1-CD1 4.35Å; L413-L417 HydrophobicContact CD1-CG 4.34Å; L413-L417 HydrophobicContact CD2-CD1 4.48Å; L413-L417 HydrophobicContact CG-CD1 3.92Å; L413-L417 HydrophobicContact CG-CG 4.34Å; L413-L417 WeakPolarHBondContact O-CB 3.46Å; L413-L417 VanDerWaalsContact O-CG 3.25Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 2.8Å |
| 414 | T | 85.1 | Confident | 84.6 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 179.3 | -46.9 | 0 | 0 | 0 | 0 | 111.2 | K411 R412 L417 I418 | K411-T414 PolarHBondContact O-N 2.72Å; R412-T414 PolarHBondContact O-N 2.8Å; T414-L417 PolarHBondContact O-N 2.85Å; T414-I418 HydrophobicContact CG2-CD1 4.03Å; T414-I418 WeakPolarHBondContact O-CD1 3.3Å; T414-I418 VanDerWaalsContact O-CG1 3.26Å; T414-I418 WeakPolarHBondContact O-CG1 3.38Å; T414-I418 PolarHBondContact O-N 2.86Å |
| 415 | A | 89.4 | Confident | 83.8 | Confident | 18 Ų | 18 | 59 Ų | 59 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A407 K411 R412 L413 L417 I418 H419 | A407-A415 HydrophobicContact CB-CB 3.85Å; K411-A415 PolarHBondContact O-N 2.8Å; R412-A415 PolarHBondContact O-N 3.45Å; L413-A415 PolarHBondContact O-N 3.47Å; A415-L417 PolarHBondContact O-N 2.84Å; A415-I418 PolarHBondContact O-N 3.01Å; A415-H419 PolarHBondContact O-CD2 2.95Å; A415-H419 VanDerWaalsContact O-CD2 3.28Å; A415-H419 PolarHBondContact O-N 2.81Å |
| 416 | Y | 91.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 174.3 | 171.4 | -94 | 0 | 0 | 0 | 112 | D267 L270 I275 L326 L401 R412 L413 H419 S420 | D267-Y416 PolarHBondContact O-OH 3.06Å; L270-Y416 HydrophobicContact CB-CE1 4.2Å; L270-Y416 WeakPolarHBondContact CB-OH 3.33Å; L270-Y416 HydrophobicContact CD1-CD2 4.49Å; L270-Y416 HydrophobicContact CD1-CE1 4.43Å; L270-Y416 HydrophobicContact CD1-CE2 4.08Å; I275-Y416 HydrophobicContact CD1-CE1 3.93Å; L326-Y416 HydrophobicContact CD1-CD2 4.42Å; L326-Y416 HydrophobicContact CD2-CG 4.47Å; L401-Y416 HydrophobicContact CD2-CD2 3.82Å; L401-Y416 HydrophobicContact CD2-CE2 3.92Å; L401-Y416 HydrophobicContact CG-CD2 4.31Å; L401-Y416 HydrophobicContact CG-CE2 4.28Å; R412-Y416 WeakPolarHBondContact O-CB 3.35Å; R412-Y416 PolarHBondContact O-N 3.24Å; L413-Y416 PolarHBondContact O-N 2.74Å; Y416-H419 PolarHBondContact O-N 2.92Å; Y416-S420 WeakPolarHBondContact CE1-OG 3.42Å; Y416-S420 WeakPolarHBondContact O-CB 3.45Å; Y416-S420 PolarHBondContact O-N 2.91Å; Y416-S420 PolarHBondContact O-OG 2.83Å |
| 417 | L | 87.2 | Confident | 82.7 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | -178.8 | -71 | 169.1 | 0 | 0 | 0 | 112.7 | I275 L338 L341 L413 T414 A415 H419 S420 V421 L427 | I275-L417 HydrophobicContact CD1-CD2 4.42Å; L338-L417 HydrophobicContact CD2-CD1 3.69Å; L338-L417 HydrophobicContact CD2-CD2 3.92Å; L338-L417 HydrophobicContact CD2-CG 4.45Å; L338-L417 HydrophobicContact CG-CD1 4.37Å; L341-L417 HydrophobicContact CD1-CD1 4.41Å; L413-L417 HydrophobicContact CD1-CD1 4.35Å; L413-L417 HydrophobicContact CD1-CG 4.34Å; L413-L417 HydrophobicContact CD2-CD1 4.48Å; L413-L417 HydrophobicContact CG-CD1 3.92Å; L413-L417 HydrophobicContact CG-CG 4.34Å; L413-L417 WeakPolarHBondContact O-CB 3.46Å; L413-L417 VanDerWaalsContact O-CG 3.25Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 2.8Å; T414-L417 PolarHBondContact O-N 2.85Å; A415-L417 PolarHBondContact O-N 2.84Å; L417-H419 PolarHBondContact O-N 2.92Å; L417-S420 WeakPolarHBondContact CA-OG 3.32Å; L417-S420 PolarHBondContact O-N 2.9Å; L417-V421 HydrophobicContact CD2-CG2 4.25Å; L417-V421 WeakPolarHBondContact O-CG2 3.45Å; L417-V421 PolarHBondContact O-N 3.35Å; L417-V421 VanDerWaalsContact O-N 3.14Å; L417-L427 HydrophobicContact CD2-CD1 3.78Å |
| 418 | I | 84.8 | Confident | 82.3 | Confident | 119 Ų | 119 | 49 Ų | 49 | 61% | 0.61 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.2 | -36.2 | 179.5 | -74.7 | 165.7 | 0 | 0 | 0 | 112.1 | T414 A415 | T414-I418 HydrophobicContact CG2-CD1 4.03Å; T414-I418 WeakPolarHBondContact O-CD1 3.3Å; T414-I418 VanDerWaalsContact O-CG1 3.26Å; T414-I418 WeakPolarHBondContact O-CG1 3.38Å; T414-I418 PolarHBondContact O-N 2.86Å; A415-I418 PolarHBondContact O-N 3.01Å |
| 419 | H | 85.1 | Confident | 82.2 | Confident | 84 Ų | 84 | 46.4 Ų | 46.4 | 39% | 0.389 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -96.9 | -25.2 | -177.8 | -68.3 | -61.1 | 0 | 0 | 0 | 114 | V399 S400 A403 A415 Y416 L417 | V399-H419 HydrophobicContact CG1-CB 4.16Å; S400-H419 PolarHBondContact OG-O 2.91Å; A403-H419 VanDerWaalsContact CB-CD2 3.44Å; A403-H419 WeakPolarHBondContact CB-CD2 3.24Å; A415-H419 PolarHBondContact O-CD2 2.95Å; A415-H419 VanDerWaalsContact O-CD2 3.28Å; A415-H419 PolarHBondContact O-N 2.81Å; Y416-H419 PolarHBondContact O-N 2.92Å; L417-H419 PolarHBondContact O-N 2.92Å |
| 420 | S | 83.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -81.9 | -43.3 | -178.2 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | R271 S400 Y416 L417 T422 | R271-S420 PolarHBondContact NH1-O 3.02Å; S400-S420 WeakPolarHBondContact OG-CA 3.46Å; S400-S420 WeakPolarHBondContact OG-CB 3.4Å; S400-S420 PolarHBondContact OG-N 3.16Å; Y416-S420 WeakPolarHBondContact CE1-OG 3.42Å; Y416-S420 WeakPolarHBondContact O-CB 3.45Å; Y416-S420 PolarHBondContact O-N 2.91Å; Y416-S420 PolarHBondContact O-OG 2.83Å; L417-S420 WeakPolarHBondContact CA-OG 3.32Å; L417-S420 PolarHBondContact O-N 2.9Å; S420-T422 PolarHBondContact O-N 2.74Å |
| 421 | V | 74.3 | Confident | 82.4 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | trans | -80.7 | 111.6 | -170.4 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | L341 L417 L427 | L341-V421 HydrophobicContact CD2-CG1 4.48Å; L417-V421 HydrophobicContact CD2-CG2 4.25Å; L417-V421 WeakPolarHBondContact O-CG2 3.45Å; L417-V421 PolarHBondContact O-N 3.35Å; L417-V421 VanDerWaalsContact O-N 3.14Å; V421-L427 HydrophobicContact CG2-CD1 3.7Å; V421-L427 HydrophobicContact CG2-CD2 4.43Å; V421-L427 HydrophobicContact CG2-CG 3.84Å | ||
| 422 | T | 72.3 | Confident | 82.5 | Confident | 59 Ų | 59 | 45 Ų | 45 | 36% | 0.362 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -128.8 | 163.5 | 171.2 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | S420 K424 N425 | S420-T422 PolarHBondContact O-N 2.74Å; T422-K424 PolarHBondContact O-N 2.9Å; T422-N425 CarbonylContact O-C 3.42Å; T422-N425 PolarHBondContact O-N 3.49Å; T422-N425 PolarHBondContact OG1-N 3.16Å |
| 423 | S | 61.3 | Low | 82.2 | Confident | 116 Ų | 116 | 49.4 Ų | 49.4 | 81% | 0.811 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.7 | 177.2 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 424 | K | 69.4 | Low | 82.2 | Confident | 128 Ų | 128 | 51.5 Ų | 51.5 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -22.6 | 176.8 | -70.7 | 178.6 | 174.3 | 170.4 | 0 | 113.5 | D384 T422 P426 | D384-K424 IonicContact OD2-NZ 2.82Å; D384-K424 PolarHBondContact OD2-NZ 3.09Å; T422-K424 PolarHBondContact O-N 2.9Å; K424-P426 WeakPolarHBondContact O-CD 3.2Å |
| 425 | N | 75.1 | Confident | 82.6 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.193 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -127.7 | 69.3 | -175.6 | -72.7 | -31.6 | 0 | 0 | 0 | 113.4 | R271 T393 T422 | R271-N425 PolarHBondContact NH1-O 3.02Å; T393-N425 PolarHBondContact OG1-ND2 3.34Å; T393-N425 PolarHBondContact OG1-OD1 2.81Å; T422-N425 CarbonylContact O-C 3.42Å; T422-N425 PolarHBondContact O-N 3.49Å; T422-N425 PolarHBondContact OG1-N 3.16Å |
| 426 | P | 76.8 | Confident | 82.8 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | trans | -73.3 | 160.2 | -176 | 31.1 | -37.2 | 0 | 0 | 0 | 114.6 | I343 K424 I428 | I343-P426 HydrophobicContact CB-CB 4.4Å; I343-P426 HydrophobicContact CD1-CB 3.68Å; I343-P426 HydrophobicContact CG1-CB 3.93Å; K424-P426 WeakPolarHBondContact O-CD 3.2Å; P426-I428 HydrophobicContact CG-CG2 4.11Å; P426-I428 PolarHBondContact O-N 3.18Å | ||
| 427 | L | 83.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -76.6 | 98.7 | 168.1 | -64.5 | 170.7 | 0 | 0 | 0 | 109.2 | R271 I275 L341 I342 L417 V421 | R271-L427 HydrophobicContact CB-CD2 4.34Å; R271-L427 HydrophobicContact CG-CD2 4.09Å; I275-L427 HydrophobicContact CD1-CD2 4.26Å; I275-L427 HydrophobicContact CG2-CD1 4.17Å; I275-L427 HydrophobicContact CG2-CD2 4.48Å; L341-L427 HydrophobicContact CB-CD1 4.1Å; I342-L427 HydrophobicContact CG1-CB 4.16Å; I342-L427 WeakPolarHBondContact CG2-O 3.48Å; L417-L427 HydrophobicContact CD2-CD1 3.78Å; V421-L427 HydrophobicContact CG2-CD1 3.7Å; V421-L427 HydrophobicContact CG2-CD2 4.43Å; V421-L427 HydrophobicContact CG2-CG 3.84Å | ||
| 428 | I | 84.1 | Confident | 83.2 | Confident | 20 Ų | 20 | 61 Ų | 61 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | trans | -148.1 | 135.4 | -174.5 | -163.2 | 169.3 | 0 | 0 | 0 | 111.6 | C345 P426 | C345-I428 HydrophobicContact CB-CD1 4.33Å; P426-I428 HydrophobicContact CG-CG2 4.11Å; P426-I428 PolarHBondContact O-N 3.18Å | ||
| 429 | F | 88.7 | Confident | 83.6 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | trans | -90.9 | 99.4 | 166.1 | -176 | -91.9 | 0 | 0 | 0 | 107.7 | W218 L225 R272 L273 P276 L277 P300 | W218-F429 HydrophobicContact CD2-CZ 4.47Å; W218-F429 HydrophobicContact CE3-CD1 4.34Å; W218-F429 AromaticContact CE3-CE1 3.71Å; W218-F429 HydrophobicContact CE3-CE1 3.71Å; W218-F429 AromaticContact CE3-CE2 3.97Å; W218-F429 HydrophobicContact CE3-CE2 3.97Å; W218-F429 AromaticContact CE3-CZ 3.47Å; W218-F429 HydrophobicContact CE3-CZ 3.47Å; W218-F429 VanDerWaalsContact CE3-CZ 3.47Å; W218-F429 AromaticContact CH2-CE1 3.99Å; W218-F429 HydrophobicContact CH2-CE1 3.99Å; W218-F429 HydrophobicContact CH2-CZ 4.45Å; W218-F429 AromaticContact CZ3-CD1 3.69Å; W218-F429 HydrophobicContact CZ3-CD1 3.69Å; W218-F429 AromaticContact CZ3-CE1 3.17Å; W218-F429 HydrophobicContact CZ3-CE1 3.17Å; W218-F429 HydrophobicContact CZ3-CE2 4.26Å; W218-F429 HydrophobicContact CZ3-CG 4.44Å; W218-F429 AromaticContact CZ3-CZ 3.47Å; W218-F429 HydrophobicContact CZ3-CZ 3.47Å; W218-F429 VanDerWaalsContact CZ3-CZ 3.47Å; L225-F429 HydrophobicContact CD1-CE1 3.68Å; L225-F429 HydrophobicContact CD1-CZ 4.18Å; R272-F429 VanDerWaalsContact O-CD2 3.22Å; R272-F429 WeakPolarHBondContact O-CD2 3.5Å; L273-F429 HydrophobicContact CD1-CD2 4.16Å; L273-F429 HydrophobicContact CD1-CE2 3.91Å; P276-F429 HydrophobicContact CB-CB 4.19Å; P276-F429 HydrophobicContact CG-CB 4.14Å; L277-F429 HydrophobicContact CB-CB 4.32Å; L277-F429 HydrophobicContact CB-CD2 4.1Å; L277-F429 HydrophobicContact CB-CG 4.19Å; L277-F429 HydrophobicContact CD1-CD1 4.36Å; L277-F429 HydrophobicContact CD1-CG 4.37Å; L277-F429 HydrophobicContact CD2-CD2 4.15Å; L277-F429 HydrophobicContact CD2-CE2 4.14Å; L277-F429 HydrophobicContact CD2-CG 4.49Å; L277-F429 HydrophobicContact CD2-CZ 4.39Å; P300-F429 HydrophobicContact CG-CD1 3.74Å; P300-F429 HydrophobicContact CG-CE1 4.5Å | ||
| 430 | S | 86.3 | Confident | 84.1 | Confident | 34 Ų | 34 | 52 Ų | 52 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | trans | -143.5 | 160.8 | 178.7 | 74 | 0 | 0 | 0 | 0 | 111 | R272 | R272-S430 PolarHBondContact NH2-O 3.22Š| ||
| 431 | Q | 87.7 | Confident | 84.6 | Confident | 122 Ų | 122 | 56.1 Ų | 56.1 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | trans | -58.1 | 145.4 | 166.2 | -166.1 | 169.7 | -22.4 | 0 | 0 | 109.2 | W218 | W218-Q431 HydrophobicContact CD2-CB 4.27Å; W218-Q431 HydrophobicContact CH2-CB 4.1Å; W218-Q431 HydrophobicContact CZ2-CB 3.62Å; W218-Q431 HydrophobicContact CZ2-CG 4.14Å | ||
| 432 | P | 88.8 | Confident | 85.4 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 10% | 0.104 | 32% | 0.318 | C | S | . | . | trans | -52.3 | 139.8 | 161.9 | -25.7 | 36.4 | 0 | 0 | 0 | 110.2 | E434 | P432-E434 PolarHBondContact O-N 3.24Š| ||
| 433 | S | 84.5 | Confident | 86.4 | Confident | 130 Ų | 130 | 53.9 Ų | 53.9 | 91% | 0.909 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -68.9 | -11.6 | -175 | 44.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 434 | E | 87.6 | Confident | 87.9 | Confident | 47 Ų | 47 | 53.9 Ų | 53.9 | 22% | 0.22 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -141.5 | 165.2 | -174.7 | 60.8 | -178.9 | 178.6 | 0 | 0 | 110.3 | H215 P432 H438 G439 Q442 | H215-E434 PolarHBondContact NE2-O 2.92Å; P432-E434 PolarHBondContact O-N 3.24Å; E434-H438 HydrophobicContact CB-CB 4.48Å; E434-H438 IonicContact OE2-CD2 3.34Å; E434-H438 PolarHBondContact OE2-CD2 3.39Å; E434-G439 VanDerWaalsContact CD-CA 3.44Å; E434-G439 WeakPolarHBondContact OE1-CA 3.31Å; E434-Q442 VanDerWaalsContact OE2-CD 3.23Å; E434-Q442 PolarHBondContact OE2-NE2 3.2Å; E434-Q442 PolarHBondContact OE2-OE1 3Å |
| 435 | S | 93.6 | Very high | 88.9 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | trans | -74.4 | 152.6 | 174.1 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | E437 H438 G439 | S435-E437 VanDerWaalsContact C-N 3.26Å; S435-E437 PolarHBondContact O-N 3.02Å; S435-H438 PolarHBondContact O-N 3.21Å; S435-H438 WeakPolarHBondContact OG-CB 3.22Å; S435-H438 PolarHBondContact OG-N 3.36Å; S435-G439 PolarHBondContact O-N 3.19Å | ||
| 436 | L | 94 | Very high | 89.7 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -50.9 | -43.7 | 175.3 | 177.1 | 57 | 0 | 0 | 0 | 112.3 | I171 F174 I211 H215 H438 L440 | I171-L436 WeakPolarHBondContact O-CD2 3.5Å; F174-L436 HydrophobicContact CD1-CD2 3.71Å; F174-L436 HydrophobicContact CE1-CD2 3.7Å; I211-L436 HydrophobicContact CB-CD1 4.4Å; I211-L436 HydrophobicContact CG2-CD1 3.77Å; H215-L436 PolarHBondContact CE1-N 3.29Å; H215-L436 PolarHBondContact NE2-N 2.94Å; H215-L436 VanDerWaalsContact NE2-N 3.15Å; L436-H438 PolarHBondContact O-N 3.38Å; L436-L440 HydrophobicContact CD1-CD1 3.83Å; L436-L440 HydrophobicContact CD1-CG 4.08Å; L436-L440 HydrophobicContact CG-CD1 3.95Å; L436-L440 WeakPolarHBondContact O-CB 3.48Å; L436-L440 WeakPolarHBondContact O-CD1 3.48Å; L436-L440 WeakPolarHBondContact O-CG 3.25Å; L436-L440 PolarHBondContact O-N 2.65Å |
| 437 | E | 93.5 | Very high | 90.4 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.7 | -67.6 | -157.4 | 126.9 | 0 | 0 | 112.6 | K172 S435 L440 T441 | K172-E437 HydrophobicContact CD-CG 4.17Å; K172-E437 VanDerWaalsContact CD-OE1 3.27Å; K172-E437 WeakPolarHBondContact CD-OE1 3.44Å; K172-E437 WeakPolarHBondContact CE-OE1 3.02Å; K172-E437 HydrophobicContact CG-CG 4.23Å; K172-E437 IonicContact NZ-OE1 2.72Å; K172-E437 PolarHBondContact NZ-OE1 2.95Å; S435-E437 VanDerWaalsContact C-N 3.26Å; S435-E437 PolarHBondContact O-N 3.02Å; E437-L440 PolarHBondContact O-N 2.88Å; E437-T441 WeakPolarHBondContact O-CG2 3.36Å; E437-T441 PolarHBondContact O-N 3.46Å |
| 438 | H | 93.3 | Very high | 90.7 | Very high | 96 Ų | 96 | 50.8 Ų | 50.8 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.7 | -45.7 | -178.4 | -166.6 | 46.8 | 0 | 0 | 0 | 111.9 | E434 S435 L436 L440 T441 Q442 | E434-H438 HydrophobicContact CB-CB 4.48Å; E434-H438 IonicContact OE2-CD2 3.34Å; E434-H438 PolarHBondContact OE2-CD2 3.39Å; S435-H438 PolarHBondContact O-N 3.21Å; S435-H438 WeakPolarHBondContact OG-CB 3.22Å; S435-H438 PolarHBondContact OG-N 3.36Å; L436-H438 PolarHBondContact O-N 3.38Å; H438-L440 VanDerWaalsContact C-N 3.3Å; H438-L440 PolarHBondContact O-N 3.46Å; H438-T441 WeakPolarHBondContact CA-OG1 3.3Å; H438-T441 PolarHBondContact ND1-OG1 2.88Å; H438-T441 WeakPolarHBondContact O-CA 3.31Å; H438-T441 PolarHBondContact O-N 2.96Å; H438-T441 PolarHBondContact O-OG1 2.97Å; H438-Q442 PolarHBondContact CD2-NE2 2.9Å; H438-Q442 PolarHBondContact NE2-NE2 2.81Å; H438-Q442 PolarHBondContact O-N 2.79Å |
| 439 | G | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E434 S435 T441 Q442 A443 | E434-G439 VanDerWaalsContact CD-CA 3.44Å; E434-G439 WeakPolarHBondContact OE1-CA 3.31Å; S435-G439 PolarHBondContact O-N 3.19Å; G439-T441 VanDerWaalsContact C-N 3.33Å; G439-T441 PolarHBondContact O-N 3.2Å; G439-Q442 PolarHBondContact O-N 3.14Å; G439-A443 VanDerWaalsContact O-CB 3.23Å; G439-A443 WeakPolarHBondContact O-CB 3.36Å; G439-A443 PolarHBondContact O-N 2.96Å |
| 440 | L | 94.6 | Very high | 91.3 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -32.7 | 172.1 | -71.5 | 169.3 | 0 | 0 | 0 | 112.8 | I171 Q207 T208 L436 E437 H438 | I171-L440 HydrophobicContact CD1-CD1 3.87Å; I171-L440 HydrophobicContact CD1-CD2 4.02Å; I171-L440 HydrophobicContact CG1-CD1 4.34Å; Q207-L440 WeakPolarHBondContact O-CD2 3.37Å; T208-L440 HydrophobicContact CG2-CD2 3.96Å; L436-L440 HydrophobicContact CD1-CD1 3.83Å; L436-L440 HydrophobicContact CD1-CG 4.08Å; L436-L440 HydrophobicContact CG-CD1 3.95Å; L436-L440 WeakPolarHBondContact O-CB 3.48Å; L436-L440 WeakPolarHBondContact O-CD1 3.48Å; L436-L440 WeakPolarHBondContact O-CG 3.25Å; L436-L440 PolarHBondContact O-N 2.65Å; E437-L440 PolarHBondContact O-N 2.88Å; H438-L440 VanDerWaalsContact C-N 3.3Å; H438-L440 PolarHBondContact O-N 3.46Å |
| 441 | T | 93.6 | Very high | 91.6 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 173.1 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | E437 H438 G439 | E437-T441 WeakPolarHBondContact O-CG2 3.36Å; E437-T441 PolarHBondContact O-N 3.46Å; H438-T441 WeakPolarHBondContact CA-OG1 3.3Å; H438-T441 PolarHBondContact ND1-OG1 2.88Å; H438-T441 WeakPolarHBondContact O-CA 3.31Å; H438-T441 PolarHBondContact O-N 2.96Å; H438-T441 PolarHBondContact O-OG1 2.97Å; G439-T441 VanDerWaalsContact C-N 3.33Å; G439-T441 PolarHBondContact O-N 3.2Å |
| 442 | Q | 92 | Very high | 91.7 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 175.1 | -69.6 | 176 | 20.2 | 0 | 0 | 111.8 | P386 I390 E434 H438 G439 K444 G445 | P386-Q442 HydrophobicContact CB-CB 4.01Å; P386-Q442 HydrophobicContact CB-CG 4.08Å; P386-Q442 HydrophobicContact CG-CG 4.41Å; I390-Q442 HydrophobicContact CD1-CB 4.28Å; E434-Q442 VanDerWaalsContact OE2-CD 3.23Å; E434-Q442 PolarHBondContact OE2-NE2 3.2Å; E434-Q442 PolarHBondContact OE2-OE1 3Å; H438-Q442 PolarHBondContact CD2-NE2 2.9Å; H438-Q442 PolarHBondContact NE2-NE2 2.81Å; H438-Q442 PolarHBondContact O-N 2.79Å; G439-Q442 PolarHBondContact O-N 3.14Å; Q442-K444 PolarHBondContact O-N 3.09Å; Q442-G445 PolarHBondContact O-N 3.4Å |
| 443 | A | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -61.9 | -15 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q207 I211 I390 G439 G445 V446 | Q207-A443 HydrophobicContact CB-CB 4.43Å; Q207-A443 WeakPolarHBondContact CG-O 3.48Å; Q207-A443 WeakPolarHBondContact O-CB 3.49Å; I211-A443 HydrophobicContact CG1-CB 4.34Å; I390-A443 HydrophobicContact CD1-CB 3.94Å; G439-A443 VanDerWaalsContact O-CB 3.23Å; G439-A443 WeakPolarHBondContact O-CB 3.36Å; G439-A443 PolarHBondContact O-N 2.96Å; A443-G445 PolarHBondContact O-N 2.82Å; A443-G445 VanDerWaalsContact O-N 3.16Å; A443-V446 WeakPolarHBondContact O-CB 3.41Å; A443-V446 WeakPolarHBondContact O-CG2 3.39Å; A443-V446 PolarHBondContact O-N 3.46Å |
| 444 | K | 92.3 | Very high | 92.2 | Very high | 115 Ų | 115 | 52.8 Ų | 52.8 | 50% | 0.5 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -57.4 | -25.7 | 172.5 | -69.8 | -157.1 | 171.6 | -156.7 | 0 | 113.7 | Q207 Q442 V446 | Q207-K444 PolarHBondContact NE2-O 2.82Å; Q442-K444 PolarHBondContact O-N 3.09Å; K444-V446 VanDerWaalsContact C-N 3.27Å; K444-V446 PolarHBondContact O-N 3.05Å |
| 445 | G | 89.5 | Confident | 92.5 | Very high | 38 Ų | 38 | 52.8 Ų | 52.8 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -71.9 | -15.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q442 A443 T447 | Q442-G445 PolarHBondContact O-N 3.4Å; A443-G445 PolarHBondContact O-N 2.82Å; A443-G445 VanDerWaalsContact O-N 3.16Å; G445-T447 PolarHBondContact O-N 2.93Å; G445-T447 VanDerWaalsContact O-N 3.15Å |
| 446 | V | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -75.9 | 107.2 | -179.1 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | H206 Q207 A387 I390 A391 A443 K444 M451 | H206-V446 HydrophobicContact CB-CB 4.37Å; H206-V446 HydrophobicContact CB-CG1 3.81Å; H206-V446 WeakPolarHBondContact O-CB 3.27Å; Q207-V446 PolarHBondContact NE2-O 2.64Å; A387-V446 HydrophobicContact CB-CG2 4.07Å; I390-V446 HydrophobicContact CB-CG2 4Å; I390-V446 HydrophobicContact CG2-CG2 3.76Å; A391-V446 HydrophobicContact CB-CG1 4.18Å; A443-V446 WeakPolarHBondContact O-CB 3.41Å; A443-V446 WeakPolarHBondContact O-CG2 3.39Å; A443-V446 PolarHBondContact O-N 3.46Å; K444-V446 VanDerWaalsContact C-N 3.27Å; K444-V446 PolarHBondContact O-N 3.05Å; V446-M451 HydrophobicContact CG1-CG 3.92Å; V446-M451 HydrophobicContact CG1-SD 4.09Å | ||
| 447 | T | 91.7 | Very high | 92 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | trans | -112.1 | 161.3 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | G445 T449 L450 M451 | G445-T447 PolarHBondContact O-N 2.93Å; G445-T447 VanDerWaalsContact O-N 3.15Å; T447-T449 VanDerWaalsContact C-N 3.25Å; T447-T449 PolarHBondContact O-N 3.4Å; T447-L450 PolarHBondContact O-N 3.11Å; T447-L450 WeakPolarHBondContact OG1-CB 3.3Å; T447-L450 PolarHBondContact OG1-N 2.8Å; T447-M451 PolarHBondContact O-N 2.83Å | ||
| 448 | P | 90 | Very high | 91.7 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 29% | 0.292 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 176.6 | -19 | 32.7 | 0 | 0 | 0 | 111 | E202 M451 S452 | E202-P448 VanDerWaalsContact OE1-CB 3.24Å; E202-P448 WeakPolarHBondContact OE1-CB 3.28Å; E202-P448 WeakPolarHBondContact OE1-CG 3.45Å; P448-M451 PolarHBondContact O-N 2.74Å; P448-S452 VanDerWaalsContact O-CB 3.31Å; P448-S452 WeakPolarHBondContact O-CB 3.35Å; P448-S452 PolarHBondContact O-N 3.18Å; P448-S452 PolarHBondContact O-OG 3.14Å |
| 449 | T | 91.4 | Very high | 91.4 | Very high | 97 Ų | 97 | 57 Ų | 57 | 60% | 0.595 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -56.9 | -50.8 | 175.1 | -41.1 | 0 | 0 | 0 | 0 | 110.6 | T447 M451 S452 V453 | T447-T449 VanDerWaalsContact C-N 3.25Å; T447-T449 PolarHBondContact O-N 3.4Å; T449-M451 PolarHBondContact O-N 3.04Å; T449-S452 PolarHBondContact O-N 3.35Å; T449-S452 PolarHBondContact O-OG 3.06Å; T449-V453 WeakPolarHBondContact O-CG2 3.5Å; T449-V453 PolarHBondContact O-N 3.17Å |
| 450 | L | 92.8 | Very high | 91.1 | Very high | 28 Ų | 28 | 60 Ų | 60 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.4 | 174.6 | 58 | 0 | 0 | 0 | 112.2 | M388 A391 T447 S452 V453 L454 | M388-L450 HydrophobicContact SD-CD1 3.42Å; M388-L450 WeakPolarHBondContact SD-CD1 3.48Å; M388-L450 HydrophobicContact SD-CD2 4.32Å; A391-L450 HydrophobicContact CB-CD2 3.98Å; A391-L450 HydrophobicContact CB-CG 4.19Å; T447-L450 PolarHBondContact O-N 3.11Å; T447-L450 WeakPolarHBondContact OG1-CB 3.3Å; T447-L450 PolarHBondContact OG1-N 2.8Å; L450-S452 VanDerWaalsContact C-N 3.31Å; L450-S452 PolarHBondContact O-N 3.4Å; L450-V453 PolarHBondContact O-N 3.12Å; L450-L454 HydrophobicContact CD1-CD1 3.71Å; L450-L454 HydrophobicContact CD1-CG 4.01Å; L450-L454 HydrophobicContact CG-CD1 4.12Å; L450-L454 WeakPolarHBondContact O-CG 3.45Å; L450-L454 PolarHBondContact O-N 3.34Å |
| 451 | M | 92.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 3% | 0.034 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 179.3 | -72.6 | -71 | -60.1 | 0 | 0 | 112.3 | A391 L394 I395 V446 T447 P448 T449 L454 W455 L462 | A391-M451 HydrophobicContact CB-SD 3.74Å; L394-M451 HydrophobicContact CB-CE 4.23Å; L394-M451 HydrophobicContact CD1-SD 4.33Å; I395-M451 HydrophobicContact CD1-CE 4.02Å; I395-M451 HydrophobicContact CD1-SD 4.1Å; I395-M451 HydrophobicContact CG1-CE 3.65Å; I395-M451 HydrophobicContact CG1-SD 4.24Å; V446-M451 HydrophobicContact CG1-CG 3.92Å; V446-M451 HydrophobicContact CG1-SD 4.09Å; T447-M451 PolarHBondContact O-N 2.83Å; P448-M451 PolarHBondContact O-N 2.74Å; T449-M451 PolarHBondContact O-N 3.04Å; M451-L454 PolarHBondContact O-N 3.03Å; M451-W455 WeakPolarHBondContact O-CB 3.49Å; M451-W455 PolarHBondContact O-N 3.48Å; M451-L462 HydrophobicContact CE-CD1 4.42Å |
| 452 | S | 90.1 | Very high | 90.2 | Very high | 81 Ų | 81 | 61.3 Ų | 61.3 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -69.5 | -32.9 | 176.3 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | P448 T449 L450 | P448-S452 VanDerWaalsContact O-CB 3.31Å; P448-S452 WeakPolarHBondContact O-CB 3.35Å; P448-S452 PolarHBondContact O-N 3.18Å; P448-S452 PolarHBondContact O-OG 3.14Å; T449-S452 PolarHBondContact O-N 3.35Å; T449-S452 PolarHBondContact O-OG 3.06Å; L450-S452 VanDerWaalsContact C-N 3.31Å; L450-S452 PolarHBondContact O-N 3.4Å |
| 453 | V | 92.9 | Very high | 89.7 | Confident | 113 Ų | 113 | 64 Ų | 64 | 69% | 0.685 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -73.5 | -32.5 | 175.5 | 167.1 | 0 | 0 | 0 | 0 | 111.8 | T449 L450 | T449-V453 WeakPolarHBondContact O-CG2 3.5Å; T449-V453 PolarHBondContact O-N 3.17Å; L450-V453 PolarHBondContact O-N 3.12Å |
| 454 | L | 92.6 | Very high | 89.3 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 27% | 0.272 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -87.8 | -8.2 | 176.2 | -65.3 | 177.7 | 0 | 0 | 0 | 113.6 | M388 A391 R392 I395 L450 M451 | M388-L454 HydrophobicContact CE-CD2 4.24Å; A391-L454 HydrophobicContact CB-CD1 3.73Å; R392-L454 HydrophobicContact CG-CD1 4.28Å; I395-L454 HydrophobicContact CD1-CB 3.37Å; I395-L454 HydrophobicContact CD1-CD1 4.46Å; L450-L454 HydrophobicContact CD1-CD1 3.71Å; L450-L454 HydrophobicContact CD1-CG 4.01Å; L450-L454 HydrophobicContact CG-CD1 4.12Å; L450-L454 WeakPolarHBondContact O-CG 3.45Å; L450-L454 PolarHBondContact O-N 3.34Å; M451-L454 PolarHBondContact O-N 3.03Å |
| 455 | W | 92.5 | Very high | 88.8 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -69.9 | 132.4 | -174.4 | -163.8 | -100.1 | 0 | 0 | 0 | 112.2 | I395 T398 M451 M459 A460 L462 | I395-W455 HydrophobicContact CD1-CE3 4.42Å; I395-W455 HydrophobicContact CG1-CE3 4.09Å; I395-W455 HydrophobicContact CG1-CZ3 4.15Å; T398-W455 HydrophobicContact CG2-CH2 3.67Å; T398-W455 HydrophobicContact CG2-CZ2 4.47Å; M451-W455 WeakPolarHBondContact O-CB 3.49Å; M451-W455 PolarHBondContact O-N 3.48Å; W455-M459 HydrophobicContact CH2-SD 4.31Å; W455-M459 HydrophobicContact CZ2-CE 4.36Å; W455-M459 HydrophobicContact CZ2-CG 3.95Å; W455-M459 HydrophobicContact CZ2-SD 3.83Å; W455-M459 PolarHBondContact NE1-O 3.42Å; W455-A460 WeakPolarHBondContact CZ2-O 3.11Å; W455-L462 HydrophobicContact CE3-CD1 4.5Å; W455-L462 HydrophobicContact CH2-CD1 4.22Å; W455-L462 HydrophobicContact CH2-CD2 3.64Å; W455-L462 HydrophobicContact CH2-CG 3.5Å; W455-L462 HydrophobicContact CZ2-CG 4.25Å; W455-L462 HydrophobicContact CZ3-CD1 3.85Å; W455-L462 HydrophobicContact CZ3-CD2 3.99Å; W455-L462 HydrophobicContact CZ3-CG 3.67Å |
| 456 | P | 90.9 | Very high | 87.4 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 27% | 0.266 | 38% | 0.375 | S | S | . | . | trans | -65.5 | 126.3 | 178.8 | -19.8 | 32.1 | 0 | 0 | 0 | 111.4 | I395 V399 N458 M459 | I395-P456 HydrophobicContact CG2-CG 4.16Å; V399-P456 HydrophobicContact CG2-CG 3.94Å; P456-N458 PolarHBondContact O-N 2.96Å; P456-N458 VanDerWaalsContact O-N 3.14Å; P456-M459 HydrophobicContact CB-CB 3.94Å; P456-M459 HydrophobicContact CG-CB 4.41Å; P456-M459 HydrophobicContact CG-SD 4.04Å; P456-M459 WeakPolarHBondContact O-CB 3.38Å; P456-M459 PolarHBondContact O-N 2.9Å | ||
| 457 | P | 87 | Confident | 85 | Confident | 126 Ų | 126 | 72.1 Ų | 72.1 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.6 | -169.4 | 25.2 | -35.4 | 0 | 0 | 0 | 114.2 | M459 | P457-M459 VanDerWaalsContact C-N 3.35Š|
| 458 | N | 86.1 | Confident | 82 | Confident | 170 Ų | 170 | 77.9 Ų | 77.9 | 91% | 0.909 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4.2 | 178.8 | -62.8 | -12 | 0 | 0 | 0 | 112.9 | P456 | P456-N458 PolarHBondContact O-N 2.96Å; P456-N458 VanDerWaalsContact O-N 3.14Å |
| 459 | M | 87.2 | Confident | 79.1 | Confident | 35 Ų | 35 | 79.7 Ų | 79.7 | 17% | 0.172 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -106.1 | 128.4 | -173 | -171.3 | 173.9 | -169.1 | 0 | 0 | 111.2 | T398 V399 R402 W455 P456 P457 | T398-M459 HydrophobicContact CG2-CE 3.52Å; V399-M459 HydrophobicContact CG2-CE 4.09Å; V399-M459 HydrophobicContact CG2-SD 3.63Å; R402-M459 HydrophobicContact CB-CE 3.98Å; R402-M459 HydrophobicContact CG-CE 4.01Å; W455-M459 HydrophobicContact CH2-SD 4.31Å; W455-M459 HydrophobicContact CZ2-CE 4.36Å; W455-M459 HydrophobicContact CZ2-CG 3.95Å; W455-M459 HydrophobicContact CZ2-SD 3.83Å; W455-M459 PolarHBondContact NE1-O 3.42Å; P456-M459 HydrophobicContact CB-CB 3.94Å; P456-M459 HydrophobicContact CG-CB 4.41Å; P456-M459 HydrophobicContact CG-SD 4.04Å; P456-M459 WeakPolarHBondContact O-CB 3.38Å; P456-M459 PolarHBondContact O-N 2.9Å; P457-M459 VanDerWaalsContact C-N 3.35Å |
| 460 | A | 87.8 | Confident | 75.9 | Confident | 63 Ų | 63 | 84.6 Ų | 84.6 | 52% | 0.521 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 141.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | R402 W455 | R402-A460 PolarHBondContact NH1-O 2.98Å; W455-A460 WeakPolarHBondContact CZ2-O 3.11Å |
| 461 | P | 85.8 | Confident | 72.7 | Confident | 94 Ų | 94 | 89.5 Ų | 89.5 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 162 | -175.4 | 25.7 | -35.4 | 0 | 0 | 0 | 112.4 | R402 | R402-P461 PolarHBondContact NH1-O 3.16Š|
| 462 | L | 83.5 | Confident | 69.5 | Low | 36 Ų | 36 | 95.5 Ų | 95.5 | 19% | 0.188 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 141 | 166.1 | -70.7 | 164.9 | 0 | 0 | 0 | 109.8 | T398 M451 W455 | T398-L462 HydrophobicContact CG2-CD2 4.22Å; M451-L462 HydrophobicContact CE-CD1 4.42Å; W455-L462 HydrophobicContact CE3-CD1 4.5Å; W455-L462 HydrophobicContact CH2-CD1 4.22Å; W455-L462 HydrophobicContact CH2-CD2 3.64Å; W455-L462 HydrophobicContact CH2-CG 3.5Å; W455-L462 HydrophobicContact CZ2-CG 4.25Å; W455-L462 HydrophobicContact CZ3-CD1 3.85Å; W455-L462 HydrophobicContact CZ3-CD2 3.99Å; W455-L462 HydrophobicContact CZ3-CG 3.67Å |
| 463 | K | 81.7 | Confident | 66.7 | Low | 106 Ų | 106 | 96.1 Ų | 96.1 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | trans | -115 | 121.9 | 165.8 | -52.3 | -165.2 | -152.7 | 87.6 | 0 | 108.5 | E259 G260 | E259-K463 HydrophobicContact CB-CB 4.32Å; E259-K463 IonicContact OE1-NZ 3.29Å; E259-K463 PolarHBondContact OE1-NZ 3.39Å; E259-K463 IonicContact OE2-NZ 3.51Å; E259-K463 PolarHBondContact OE2-NZ 3.23Å; G260-K463 PolarHBondContact N-O 3.16Å | ||
| 464 | L | 85.2 | Confident | 63.6 | Low | 11 Ų | 11 | 100 Ų | 100 | 6% | 0.058 | 57% | 0.566 | C | S | . | * | S | Bend | trans | -107.9 | -46.4 | 174.5 | -59 | 172 | 0 | 0 | 0 | 109.3 | L201 E202 H205 I258 | L201-L464 HydrophobicContact CB-CB 4.05Å; L201-L464 HydrophobicContact CB-CD1 4.46Å; L201-L464 HydrophobicContact CD1-CB 4.44Å; E202-L464 VanDerWaalsContact CA-CD1 3.48Å; E202-L464 HydrophobicContact CB-CD1 3.66Å; E202-L464 HydrophobicContact CG-CD1 3.9Å; H205-L464 HydrophobicContact CB-CD2 4.18Å; I258-L464 HydrophobicContact CG2-CD2 4.34Å |
| 465 | V | 80.7 | Confident | 60.5 | Low | 35 Ų | 35 | 103.4 Ų | 103.4 | 21% | 0.212 | 60% | 0.595 | C | S | . | * | S | Bend | trans | -107.9 | 131.7 | 166 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | K196 E198 L201 R467 | K196-V465 HydrophobicContact CB-CG1 4.17Å; K196-V465 HydrophobicContact CB-CG2 3.99Å; K196-V465 WeakPolarHBondContact O-CG2 3.22Å; E198-V465 HydrophobicContact CB-CG2 4.29Å; E198-V465 WeakPolarHBondContact OE2-CA 3.4Å; E198-V465 WeakPolarHBondContact OE2-CB 3.39Å; E198-V465 VanDerWaalsContact OE2-CG2 3.25Å; E198-V465 WeakPolarHBondContact OE2-CG2 3.38Å; E198-V465 PolarHBondContact OE2-N 3.02Å; L201-V465 HydrophobicContact CD1-CG2 4.01Å; V465-R467 PolarHBondContact O-N 3.17Å |
| 466 | G | 60.3 | Low | 57.3 | Low | 56 Ų | 56 | 106.5 Ų | 106.5 | 58% | 0.577 | 62% | 0.623 | S | S | * | * | trans | -68.5 | 109.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N468 | G466-N468 PolarHBondContact O-N 2.72Š| ||
| 467 | R | 43.3 | Very low | 54.3 | Low | 222 Ų | 222 | 109.4 Ų | 109.4 | 84% | 0.838 | 65% | 0.645 | S | S | * | * | trans | -69.5 | 113.1 | 175.1 | -72.8 | -175 | 177.5 | -178.8 | -0.3 | 111.1 | V465 S469 | V465-R467 PolarHBondContact O-N 3.17Å; R467-S469 PolarHBondContact O-N 2.98Å | ||
| 468 | N | 27.4 | Very low | 51.5 | Low | 172 Ų | 172 | 109.5 Ų | 109.5 | 92% | 0.92 | 64% | 0.643 | S | S | * | * | trans | -71.3 | 100.4 | 156.8 | -71.2 | 0.6 | 0 | 0 | 0 | 107.7 | G466 | G466-N468 PolarHBondContact O-N 2.72Š| ||
| 469 | S | 29.6 | Very low | 48.8 | Very low | 83 Ų | 83 | 105.8 Ų | 105.8 | 58% | 0.58 | 63% | 0.631 | S | S | * | * | trans | -140.4 | 67.6 | -179.8 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | R467 T471 | R467-S469 PolarHBondContact O-N 2.98Å; S469-T471 PolarHBondContact O-N 3.17Å | ||
| 470 | E | 24.5 | Very low | 45.9 | Very low | 200 Ų | 200 | 111.5 Ų | 111.5 | 94% | 0.935 | 66% | 0.662 | S | S | * | * | trans | -69.5 | 67 | 155.8 | -70.4 | -170.3 | 152 | 0 | 0 | 110.5 | ||||
| 471 | T | 25.7 | Very low | 43.5 | Very low | 131 Ų | 131 | 113.8 Ų | 113.8 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -169.8 | 93.3 | 158.3 | 23.7 | 0 | 0 | 0 | 0 | 109.3 | S469 | S469-T471 PolarHBondContact O-N 3.17Š| ||
| 472 | C | 25.1 | Very low | 40.7 | Very low | 133 Ų | 133 | 114.9 Ų | 114.9 | 90% | 0.899 | 68% | 0.68 | S | S | * | * | trans | -140.5 | 68.2 | 156 | -162.9 | 0 | 0 | 0 | 0 | 108.4 | Q474 | C472-Q474 PolarHBondContact O-N 3.49Š| ||
| 473 | A | 30.3 | Very low | 38.2 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | trans | -74.3 | 118.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 474 | Q | 27.8 | Very low | 35.7 | Very low | 194 Ų | 194 | 123.1 Ų | 123.1 | 91% | 0.907 | 72% | 0.717 | S | S | * | * | trans | 9.2 | 116 | 153.1 | -60.8 | 172.3 | -8.2 | 0 | 0 | 117.7 | C472 | C472-Q474 PolarHBondContact O-N 3.49Š| ||
| 475 | S | 28.3 | Very low | 33 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | -156.5 | 128 | 135.1 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 476 | S | 25.9 | Very low | 30.6 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -133 | 151.3 | 167.9 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 477 | S | 27.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 70.6 | 125.3 | 168.9 | 55.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 478 | T | 28.3 | Very low | 28.5 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | 83.6 | 93.1 | 136.4 | 45 | 0 | 0 | 0 | 0 | 124 | ||||
| 479 | S | 28.8 | Very low | 28.7 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 91.5 | 109.1 | 106 | 71.6 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 480 | N | 26 | Very low | 28.4 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | 70.2 | 163 | 120.2 | -72.6 | 2.6 | 0 | 0 | 0 | 122.8 | |||||
| 481 | P | 39.3 | Very low | 29.3 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | cis | -141.2 | -170.7 | -22.2 | 35 | -13.9 | 0 | 0 | 0 | 116.6 | ||||
| 482 | C | 26.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 150.5 | 158.4 | -74.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 483 | E | 30.8 | Very low | 29.6 | Very low | 151 Ų | 151 | 130 Ų | 130 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -122.2 | 140 | 19.3 | -70.4 | -156.9 | 101.1 | 0 | 0 | 118.7 | ||||
| 484 | K | 29 | Very low | 29.7 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | 39.1 | 126.9 | 134 | -58.3 | 170.4 | -173 | 149.8 | 0 | 122.5 | ||||
| 485 | R | 27.8 | Very low | 29.7 | Very low | 233 Ų | 233 | 129.1 Ų | 129.1 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | -166.9 | 129.1 | 91.6 | -105.7 | -173.1 | -179 | -162.3 | 0.8 | 113.2 | |||||
| 486 | S | 30.3 | Very low | 29.8 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 53.3 | 145.5 | 154.8 | 47.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 487 | S | 32 | Very low | 30 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | 174.2 | 161.2 | -8.6 | 48.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 488 | D | 27.7 | Very low | 30 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | -175.9 | 161.4 | -24.7 | -86.4 | -50.1 | 0 | 0 | 0 | 104.9 | ||||
| 489 | L | 31.3 | Very low | 30.1 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | cis | -141.3 | -128.2 | 4.8 | -140.8 | 172.8 | 0 | 0 | 0 | 109.7 | ||||
| 490 | S | 24.6 | Very low | 30.1 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -151.4 | -137.7 | -179.8 | -163.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 491 | P | 43.4 | Very low | 30.3 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -131.1 | -168.5 | -116.5 | 44.2 | -26.6 | 0 | 0 | 0 | 116.8 | |||||
| 492 | G | 28.7 | Very low | 29.5 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 164.8 | 165 | 153.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 493 | D | 28.3 | Very low | 29.4 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | cis | -166.7 | 145.9 | -30.8 | -159 | -10 | 0 | 0 | 0 | 108.5 | ||||
| 494 | S | 30.8 | Very low | 29.1 | Very low | 124 Ų | 124 | 132 Ų | 132 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -173.4 | 124.9 | 173.7 | -81 | 0 | 0 | 0 | 0 | 113 | ||||
| 495 | Q | 28.4 | Very low | 28.9 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | trans | -120.3 | 152.8 | 179.8 | -52.4 | 175 | 8 | 0 | 0 | 112.3 | Q497 | Q495-Q497 VanDerWaalsContact OE1-NE2 3.15Š| ||
| 496 | I | 30.8 | Very low | 28.7 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -145.2 | 151.7 | 143.5 | -69.7 | -162.8 | 0 | 0 | 0 | 109.1 | ||||
| 497 | Q | 30.2 | Very low | 28.3 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | -141.1 | 169.6 | -174.8 | -33.5 | 179.8 | 18.4 | 0 | 0 | 108.4 | Q495 | Q495-Q497 VanDerWaalsContact OE1-NE2 3.15Š| ||
| 498 | S | 26.9 | Very low | 28.3 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | cis | -159.4 | -152.9 | 5.8 | 49.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 499 | S | 30.4 | Very low | 28.1 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 57% | 0.573 | 76% | 0.755 | S | S | * | * | cis | -170.8 | 155.2 | 2.7 | 56.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 500 | N | 29.6 | Very low | 27.8 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 64.4 | 158.5 | 145.9 | -59.3 | -5.5 | 0 | 0 | 0 | 119.9 | ||||
| 501 | S | 28.5 | Very low | 27.9 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | cis | -165.8 | 173.5 | -18.5 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 502 | C | 22.9 | Very low | 27.2 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -93.6 | -171.8 | -174.1 | -50.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 503 | T | 25.5 | Very low | 27.1 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | cis | -163.1 | 170.4 | 15.1 | -20.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 504 | D | 22.9 | Very low | 26.9 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 66.3 | 148.1 | 148.3 | -65 | -21.8 | 0 | 0 | 0 | 121.6 | ||||
| 505 | V | 26.2 | Very low | 26.7 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -157.9 | 151.1 | -3.7 | 112.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 506 | S | 23.4 | Very low | 26.5 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 73.6 | 133.6 | 157.9 | 69.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 507 | S | 22.6 | Very low | 26.1 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 63.2 | 106.1 | 140.2 | -59.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 508 | I | 30.4 | Very low | 25.9 | Very low | 161 Ų | 161 | 131 Ų | 131 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | 179.9 | 136.6 | 112.8 | -95.8 | 164.1 | 0 | 0 | 0 | 113.1 | |||||
| 509 | E | 25.3 | Very low | 25.8 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | 39.4 | 129.4 | 158.8 | -65.7 | -156.4 | 128.6 | 0 | 0 | 125.5 | ||||
| 510 | K | 25.1 | Very low | 25.5 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 60.6 | 107.5 | 135.6 | -64.7 | 166.2 | -179.4 | 149.1 | 0 | 120.4 | ||||
| 511 | S | 26.2 | Very low | 25.1 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | -167.1 | 125.3 | 106.4 | 39.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 512 | P | 27.2 | Very low | 24.9 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 132.8 | 167.2 | 33.1 | -30.4 | 0 | 0 | 0 | 110.4 | ||
| 513 | V | 28.1 | Very low | 24.8 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 132.4 | 169.2 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | I515 | V513-I515 PolarHBondContact O-N 2.99Š|
| 514 | K | 23.3 | Very low | 24.9 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 81% | 0.809 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 123.5 | 178.8 | -64.6 | 179.4 | 177.8 | -176.8 | 0 | 110.8 | ||
| 515 | I | 27.4 | Very low | 24.9 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | -116 | 132.2 | 152.8 | -64.8 | 176 | 0 | 0 | 0 | 105.4 | V513 D517 | V513-I515 PolarHBondContact O-N 2.99Å; I515-D517 PolarHBondContact O-N 3.41Å; I515-D517 VanDerWaalsContact O-N 3.11Å | ||
| 516 | E | 24.8 | Very low | 24.9 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -87.1 | 81.6 | -171.4 | -64.8 | -170.7 | 151.2 | 0 | 0 | 111.1 | S518 | E516-S518 VanDerWaalsContact C-N 3.3Å; E516-S518 PolarHBondContact O-N 2.91Å | ||
| 517 | D | 22.2 | Very low | 25 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -63.3 | 89.2 | 170 | -81.4 | -37.5 | 0 | 0 | 0 | 110.7 | I515 S519 | I515-D517 PolarHBondContact O-N 3.41Å; I515-D517 VanDerWaalsContact O-N 3.11Å; D517-S519 PolarHBondContact O-N 3.18Å; D517-S519 PolarHBondContact O-OG 2.79Å | ||
| 518 | S | 24.7 | Very low | 25.2 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -70.6 | 62.7 | 171.9 | 40.7 | 0 | 0 | 0 | 0 | 111.2 | E516 F520 | E516-S518 VanDerWaalsContact C-N 3.3Å; E516-S518 PolarHBondContact O-N 2.91Å; S518-F520 PolarHBondContact O-N 3.47Å; S518-F520 VanDerWaalsContact O-N 3.08Å | ||
| 519 | S | 24.3 | Very low | 25 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | trans | -69 | 98 | 179.7 | 44 | 0 | 0 | 0 | 0 | 111 | D517 N521 | D517-S519 PolarHBondContact O-N 3.18Å; D517-S519 PolarHBondContact O-OG 2.79Å; S519-N521 PolarHBondContact O-N 2.96Å | ||
| 520 | F | 24.4 | Very low | 25.3 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | trans | -71.4 | 59.8 | 168 | -91 | -87.4 | 0 | 0 | 0 | 111.5 | S518 S522 | S518-F520 PolarHBondContact O-N 3.47Å; S518-F520 VanDerWaalsContact O-N 3.08Å; F520-S522 VanDerWaalsContact C-N 3.32Å; F520-S522 PolarHBondContact O-N 3.45Å | ||
| 521 | N | 22.6 | Very low | 25.6 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -75 | 83.5 | 169.1 | -80.8 | -19.9 | 0 | 0 | 0 | 109.3 | S519 S523 | S519-N521 PolarHBondContact O-N 2.96Å; N521-S523 PolarHBondContact O-N 2.76Å | ||
| 522 | S | 24.1 | Very low | 26.3 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | -76.6 | 56.4 | 174.6 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | F520 V524 | F520-S522 VanDerWaalsContact C-N 3.32Å; F520-S522 PolarHBondContact O-N 3.45Å; S522-V524 PolarHBondContact O-N 2.83Å | ||
| 523 | S | 21.3 | Very low | 27.1 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -75.9 | 72.6 | 171 | -60.7 | 0 | 0 | 0 | 0 | 110 | N521 V525 | N521-S523 PolarHBondContact O-N 2.76Å; S523-V525 PolarHBondContact O-N 3.06Å | ||
| 524 | V | 27.3 | Very low | 27.8 | Very low | 106 Ų | 106 | 135 Ų | 135 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | trans | -79.3 | 106.9 | 179.5 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | S522 F526 | S522-V524 PolarHBondContact O-N 2.83Å; V524-F526 PolarHBondContact O-N 3.35Å | ||
| 525 | V | 22.6 | Very low | 28.5 | Very low | 129 Ų | 129 | 128 Ų | 128 | 78% | 0.782 | 69% | 0.693 | S | S | * | * | trans | -71.2 | 120.3 | 162.2 | 177.7 | 0 | 0 | 0 | 0 | 108 | S523 E527 | S523-V525 PolarHBondContact O-N 3.06Å; V525-E527 PolarHBondContact O-N 3.03Å; V525-E527 VanDerWaalsContact O-N 3.14Å | ||
| 526 | F | 27 | Very low | 29.3 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 59% | 0.592 | 68% | 0.675 | S | S | * | * | trans | -75.9 | 96.4 | 175.2 | -84.6 | -81.9 | 0 | 0 | 0 | 111.1 | V524 P598 | V524-F526 PolarHBondContact O-N 3.35Å; F526-P598 HydrophobicContact CE2-CG 4.28Å; F526-P598 HydrophobicContact CZ-CG 4.45Å | ||
| 527 | E | 24.8 | Very low | 30.5 | Very low | 160 Ų | 160 | 117 Ų | 117 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -74.7 | 131.2 | 154.8 | -75.6 | -165 | 139.5 | 0 | 0 | 109.9 | V525 N529 | V525-E527 PolarHBondContact O-N 3.03Å; V525-E527 VanDerWaalsContact O-N 3.14Å; E527-N529 PolarHBondContact O-N 3.14Å | ||
| 528 | Q | 25.9 | Very low | 31.5 | Very low | 193 Ų | 193 | 113.7 Ų | 113.7 | 90% | 0.902 | 63% | 0.629 | S | S | * | * | trans | -68.1 | 117.3 | 174.7 | -65.8 | 174.5 | -20.6 | 0 | 0 | 110 | ||||
| 529 | N | 27.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 114.5 Ų | 114.5 | 68% | 0.679 | 63% | 0.625 | S | S | * | * | trans | -156.2 | 130.8 | 172.3 | -103.8 | -62.9 | 0 | 0 | 0 | 112 | E527 K531 | E527-N529 PolarHBondContact O-N 3.14Å; N529-K531 PolarHBondContact O-N 2.81Å; N529-K531 VanDerWaalsContact O-N 3.16Å | ||
| 530 | D | 31.8 | Very low | 34.3 | Very low | 157 Ų | 157 | 111.5 Ų | 111.5 | 84% | 0.84 | 60% | 0.602 | S | S | * | * | trans | -65.5 | 109.6 | 176.8 | -69.7 | -64.4 | 0 | 0 | 0 | 111.7 | ||||
| 531 | K | 30.6 | Very low | 35.6 | Very low | 166 Ų | 166 | 106.9 Ų | 106.9 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | trans | -130.3 | 144.5 | 170.9 | -76.8 | 179.6 | 179.8 | 168.9 | 0 | 111.3 | N529 | N529-K531 PolarHBondContact O-N 2.81Å; N529-K531 VanDerWaalsContact O-N 3.16Å | ||
| 532 | P | 40.6 | Very low | 37.1 | Very low | 97 Ų | 97 | 102.2 Ų | 102.2 | 63% | 0.63 | 58% | 0.578 | S | S | * | * | trans | -71.5 | 143.1 | -179.9 | 29.5 | -34.8 | 0 | 0 | 0 | 111.8 | D534 A535 | P532-D534 PolarHBondContact O-N 2.98Å; P532-A535 VanDerWaalsContact O-CB 3.31Å; P532-A535 WeakPolarHBondContact O-CB 3.35Å; P532-A535 PolarHBondContact O-N 3.48Å | ||
| 533 | I | 44.5 | Very low | 39.3 | Very low | 60 Ų | 60 | 100.1 Ų | 100.1 | 31% | 0.308 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.1 | -25 | -171.5 | -62.2 | 159.3 | 0 | 0 | 0 | 113.9 | A535 D536 L537 T606 E610 | I533-A535 PolarHBondContact O-N 3.22Å; I533-D536 PolarHBondContact O-N 3Å; I533-L537 HydrophobicContact CG2-CD1 4.06Å; I533-L537 PolarHBondContact O-N 3.06Å; I533-T606 HydrophobicContact CD1-CG2 3.67Å; I533-T606 HydrophobicContact CG1-CG2 4.31Å; I533-E610 VanDerWaalsContact CD1-OE1 3.31Å; I533-E610 WeakPolarHBondContact CD1-OE1 3.43Å |
| 534 | D | 42 | Very low | 41.3 | Very low | 122 Ų | 122 | 96.1 Ų | 96.1 | 65% | 0.652 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.2 | 174.1 | -76 | -53.9 | 0 | 0 | 0 | 113.6 | P532 S538 | P532-D534 PolarHBondContact O-N 2.98Å; D534-S538 PolarHBondContact O-N 2.88Å |
| 535 | A | 38.8 | Very low | 43.5 | Very low | 40 Ų | 40 | 91.3 Ų | 91.3 | 33% | 0.331 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P532 I533 L537 S538 | P532-A535 VanDerWaalsContact O-CB 3.31Å; P532-A535 WeakPolarHBondContact O-CB 3.35Å; P532-A535 PolarHBondContact O-N 3.48Å; I533-A535 PolarHBondContact O-N 3.22Å; A535-L537 VanDerWaalsContact C-N 3.34Å; A535-L537 PolarHBondContact O-N 3.4Å; A535-S538 WeakPolarHBondContact O-CA 3.36Å; A535-S538 VanDerWaalsContact O-CB 3.26Å; A535-S538 WeakPolarHBondContact O-CB 3.47Å; A535-S538 PolarHBondContact O-N 3.05Å; A535-S538 PolarHBondContact O-OG 3.18Å |
| 536 | D | 44.3 | Very low | 46.1 | Very low | 65 Ų | 65 | 85.2 Ų | 85.2 | 35% | 0.348 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -74.1 | -25.6 | 177.8 | -72.2 | -48 | 0 | 0 | 0 | 112.7 | I533 S538 N539 T603 | I533-D536 PolarHBondContact O-N 3Å; D536-S538 PolarHBondContact O-N 2.69Å; D536-N539 WeakPolarHBondContact O-CB 3.37Å; D536-N539 PolarHBondContact O-N 3.04Å; D536-N539 VanDerWaalsContact O-N 3.07Å; D536-N539 PolarHBondContact OD1-ND2 3.14Å; D536-N539 VanDerWaalsContact OD1-ND2 3.1Å; D536-T603 WeakPolarHBondContact CB-OG1 3.2Å |
| 537 | L | 49.8 | Very low | 48.3 | Very low | 19 Ų | 19 | 83.6 Ų | 83.6 | 10% | 0.099 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.2 | -11.5 | 165.5 | -94 | 76.4 | 0 | 0 | 0 | 113.4 | I533 A535 R547 T603 | I533-L537 HydrophobicContact CG2-CD1 4.06Å; I533-L537 PolarHBondContact O-N 3.06Å; A535-L537 VanDerWaalsContact C-N 3.34Å; A535-L537 PolarHBondContact O-N 3.4Å; L537-R547 HydrophobicContact CD2-CG 4.22Å; L537-R547 HydrophobicContact CG-CG 4.48Å; L537-R547 VanDerWaalsContact O-CZ 3.27Å; L537-R547 PolarHBondContact O-NH1 3.39Å; L537-R547 VanDerWaalsContact O-NH1 3.14Å; L537-T603 HydrophobicContact CD1-CG2 3.59Å |
| 538 | S | 43.8 | Very low | 50.8 | Low | 71 Ų | 71 | 76.6 Ų | 76.6 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -85.4 | -27.1 | 169.4 | 83.8 | 0 | 0 | 0 | 0 | 113.2 | D534 A535 D536 L540 S541 | D534-S538 PolarHBondContact O-N 2.88Å; A535-S538 WeakPolarHBondContact O-CA 3.36Å; A535-S538 VanDerWaalsContact O-CB 3.26Å; A535-S538 WeakPolarHBondContact O-CB 3.47Å; A535-S538 PolarHBondContact O-N 3.05Å; A535-S538 PolarHBondContact O-OG 3.18Å; D536-S538 PolarHBondContact O-N 2.69Å; S538-L540 PolarHBondContact O-N 2.65Å; S538-S541 WeakPolarHBondContact O-CB 3.46Å; S538-S541 PolarHBondContact O-N 3.48Å |
| 539 | N | 50.9 | Low | 53.5 | Low | 125 Ų | 125 | 67.4 Ų | 67.4 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.2 | -18.6 | 169 | -70.9 | -36.6 | 0 | 0 | 0 | 112.1 | D536 S541 | D536-N539 WeakPolarHBondContact O-CB 3.37Å; D536-N539 PolarHBondContact O-N 3.04Å; D536-N539 VanDerWaalsContact O-N 3.07Å; D536-N539 PolarHBondContact OD1-ND2 3.14Å; D536-N539 VanDerWaalsContact OD1-ND2 3.1Å; N539-S541 PolarHBondContact O-N 2.84Å |
| 540 | L | 56.2 | Low | 56 | Low | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 24.3 | 168.3 | -63.2 | 175.5 | 0 | 0 | 0 | 113.7 | S538 G542 R543 L546 R547 F550 | S538-L540 PolarHBondContact O-N 2.65Å; L540-G542 PolarHBondContact O-N 3.26Å; L540-R543 HydrophobicContact CB-CB 4.44Å; L540-R543 HydrophobicContact CD2-CB 4.47Å; L540-R543 PolarHBondContact O-N 2.87Å; L540-R543 VanDerWaalsContact O-N 3.08Å; L540-L546 HydrophobicContact CD1-CD2 3.84Å; L540-L546 HydrophobicContact CD2-CD1 4.45Å; L540-L546 HydrophobicContact CD2-CD2 3.82Å; L540-L546 HydrophobicContact CG-CD2 4.47Å; L540-R547 HydrophobicContact CD1-CB 4.49Å; L540-F550 HydrophobicContact CD1-CD2 3.94Å; L540-F550 HydrophobicContact CD1-CE2 4.25Å |
| 541 | S | 51.1 | Low | 58.4 | Low | 103 Ų | 103 | 63.1 Ų | 63.1 | 72% | 0.72 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 137.6 | 171.2 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | S538 N539 R543 | S538-S541 WeakPolarHBondContact O-CB 3.46Å; S538-S541 PolarHBondContact O-N 3.48Å; N539-S541 PolarHBondContact O-N 2.84Å; S541-R543 PolarHBondContact O-N 3.42Å; S541-R543 VanDerWaalsContact O-N 3.15Å |
| 542 | G | 54.8 | Low | 60.9 | Low | 34 Ų | 34 | 56 Ų | 56 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -37.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I333 L540 V544 | I333-G542 CarbonylContact O-C 3.4Å; I333-G542 VanDerWaalsContact O-O 3.07Å; L540-G542 PolarHBondContact O-N 3.26Å; G542-V544 VanDerWaalsContact C-N 3.26Å; G542-V544 WeakPolarHBondContact O-CG2 3.48Å; G542-V544 PolarHBondContact O-N 2.97Å |
| 543 | R | 69.6 | Low | 63 | Low | 63 Ų | 63 | 51.4 Ų | 51.4 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | trans | -79 | 57.8 | -172.7 | -58.7 | -166.9 | 178.7 | -164.6 | -3.1 | 114.5 | L332 I333 L540 S541 F545 L546 R547 L586 | L332-R543 WeakPolarHBondContact O-CB 3.44Å; L332-R543 WeakPolarHBondContact O-CD 3.25Å; L332-R543 VanDerWaalsContact O-CG 3.28Å; L332-R543 WeakPolarHBondContact O-CG 3.18Å; I333-R543 WeakPolarHBondContact O-CA 3.43Å; L540-R543 HydrophobicContact CB-CB 4.44Å; L540-R543 HydrophobicContact CD2-CB 4.47Å; L540-R543 PolarHBondContact O-N 2.87Å; L540-R543 VanDerWaalsContact O-N 3.08Å; S541-R543 PolarHBondContact O-N 3.42Å; S541-R543 VanDerWaalsContact O-N 3.15Å; R543-F545 PolarHBondContact O-N 2.99Å; R543-L546 HydrophobicContact CB-CB 4.2Å; R543-L546 PolarHBondContact O-N 2.71Å; R543-R547 WeakPolarHBondContact O-CB 3.26Å; R543-R547 PolarHBondContact O-N 3.06Å; R543-L586 PolarHBondContact NH1-O 2.83Å; R543-L586 PolarHBondContact NH2-O 2.62Å | ||
| 544 | V | 64.7 | Low | 64.5 | Low | 26 Ų | 26 | 50.4 Ų | 50.4 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.9 | -46.3 | -168.6 | -176.1 | 0 | 0 | 0 | 0 | 113.4 | F283 L336 G542 S548 | F283-V544 HydrophobicContact CD1-CB 4.43Å; F283-V544 HydrophobicContact CD1-CG1 4.07Å; F283-V544 HydrophobicContact CE1-CB 4Å; F283-V544 HydrophobicContact CE1-CG1 4.15Å; L336-V544 HydrophobicContact CD1-CG2 4.29Å; L336-V544 HydrophobicContact CD2-CG2 3.84Å; L336-V544 HydrophobicContact CG-CG2 3.96Å; G542-V544 VanDerWaalsContact C-N 3.26Å; G542-V544 WeakPolarHBondContact O-CG2 3.48Å; G542-V544 PolarHBondContact O-N 2.97Å; V544-S548 PolarHBondContact O-N 2.91Å |
| 545 | F | 72.7 | Confident | 65.8 | Low | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.022 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.2 | -40.4 | -177.1 | 178.5 | -113.5 | 0 | 0 | 0 | 113.1 | L282 Y304 I331 R543 R547 S548 L549 L569 | L282-F545 HydrophobicContact CB-CD2 3.66Å; L282-F545 HydrophobicContact CB-CE2 3.83Å; L282-F545 HydrophobicContact CB-CG 4.21Å; L282-F545 HydrophobicContact CB-CZ 4.47Å; L282-F545 HydrophobicContact CD1-CD1 3.84Å; L282-F545 HydrophobicContact CD1-CD2 4.01Å; L282-F545 HydrophobicContact CD1-CE1 3.65Å; L282-F545 HydrophobicContact CD1-CE2 3.85Å; L282-F545 HydrophobicContact CD1-CG 4.01Å; L282-F545 HydrophobicContact CD1-CZ 3.65Å; L282-F545 HydrophobicContact CD2-CD2 4.36Å; L282-F545 HydrophobicContact CD2-CE2 3.62Å; L282-F545 HydrophobicContact CD2-CZ 3.72Å; L282-F545 HydrophobicContact CG-CD2 4.22Å; L282-F545 HydrophobicContact CG-CE2 3.96Å; L282-F545 HydrophobicContact CG-CZ 4.14Å; Y304-F545 HydrophobicContact CE2-CE2 4.19Å; I331-F545 HydrophobicContact CB-CD1 4.23Å; I331-F545 HydrophobicContact CG1-CD1 4.26Å; I331-F545 HydrophobicContact CG1-CE1 4.29Å; I331-F545 HydrophobicContact CG2-CD1 3.83Å; I331-F545 HydrophobicContact CG2-CE1 3.89Å; I331-F545 WeakPolarHBondContact O-CD1 3.48Å; R543-F545 PolarHBondContact O-N 2.99Å; F545-R547 VanDerWaalsContact C-N 3.28Å; F545-R547 PolarHBondContact O-N 3.39Å; F545-S548 CarbonylContact O-C 3.6Å; F545-S548 VanDerWaalsContact O-CA 3.31Å; F545-S548 WeakPolarHBondContact O-CA 3.47Å; F545-S548 VanDerWaalsContact O-CB 3.26Å; F545-S548 WeakPolarHBondContact O-CB 3.34Å; F545-S548 PolarHBondContact O-N 3.03Å; F545-L549 HydrophobicContact CD1-CD1 4.11Å; F545-L549 HydrophobicContact CD1-CG 4.33Å; F545-L549 HydrophobicContact CE1-CD1 3.49Å; F545-L549 VanDerWaalsContact CE1-CD1 3.49Å; F545-L549 HydrophobicContact CE1-CD2 4.15Å; F545-L549 HydrophobicContact CE1-CG 3.7Å; F545-L549 HydrophobicContact CE2-CD2 4.22Å; F545-L549 HydrophobicContact CE2-CG 4.03Å; F545-L549 HydrophobicContact CZ-CD1 3.85Å; F545-L549 HydrophobicContact CZ-CD2 3.6Å; F545-L549 HydrophobicContact CZ-CG 3.53Å; F545-L549 PolarHBondContact O-N 2.95Å; F545-L569 HydrophobicContact CE1-CD2 4.08Å; F545-L569 HydrophobicContact CZ-CD2 4.13Å |
| 546 | L | 76.1 | Confident | 67 | Low | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 171.1 | -168.2 | 171.1 | 0 | 0 | 0 | 110.6 | L332 L540 R543 S548 L549 F550 | L332-L546 HydrophobicContact CB-CD1 4.45Å; L332-L546 HydrophobicContact CD2-CD1 3.82Å; L332-L546 HydrophobicContact CD2-CG 4.3Å; L540-L546 HydrophobicContact CD1-CD2 3.84Å; L540-L546 HydrophobicContact CD2-CD1 4.45Å; L540-L546 HydrophobicContact CD2-CD2 3.82Å; L540-L546 HydrophobicContact CG-CD2 4.47Å; R543-L546 HydrophobicContact CB-CB 4.2Å; R543-L546 PolarHBondContact O-N 2.71Å; L546-S548 VanDerWaalsContact C-N 3.27Å; L546-S548 PolarHBondContact O-N 3.44Å; L546-L549 PolarHBondContact O-N 2.91Å; L546-F550 HydrophobicContact CD2-CD1 3.96Å; L546-F550 HydrophobicContact CD2-CD2 3.75Å; L546-F550 HydrophobicContact CD2-CE1 3.64Å; L546-F550 HydrophobicContact CD2-CE2 3.44Å; L546-F550 VanDerWaalsContact CD2-CE2 3.44Å; L546-F550 HydrophobicContact CD2-CG 4.01Å; L546-F550 HydrophobicContact CD2-CZ 3.36Å; L546-F550 HydrophobicContact CG-CE1 4.29Å; L546-F550 HydrophobicContact CG-CZ 4.27Å; L546-F550 PolarHBondContact O-N 3.39Å |
| 547 | R | 74.4 | Confident | 67.6 | Low | 100 Ų | 100 | 49 Ų | 49 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -31.3 | 172.1 | -172.2 | 174.1 | -178.8 | 168.4 | 4.8 | 112.8 | L537 L540 R543 F545 R551 | L537-R547 HydrophobicContact CD2-CG 4.22Å; L537-R547 HydrophobicContact CG-CG 4.48Å; L537-R547 VanDerWaalsContact O-CZ 3.27Å; L537-R547 PolarHBondContact O-NH1 3.39Å; L537-R547 VanDerWaalsContact O-NH1 3.14Å; L540-R547 HydrophobicContact CD1-CB 4.49Å; R543-R547 WeakPolarHBondContact O-CB 3.26Å; R543-R547 PolarHBondContact O-N 3.06Å; F545-R547 VanDerWaalsContact C-N 3.28Å; F545-R547 PolarHBondContact O-N 3.39Å; R547-R551 VanDerWaalsContact O-CB 3.29Å; R547-R551 WeakPolarHBondContact O-CB 3.29Å; R547-R551 PolarHBondContact O-N 2.9Å |
| 548 | S | 76.5 | Confident | 68.5 | Low | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.8 | -39.9 | 174 | -167.2 | 0 | 0 | 0 | 0 | 112.8 | V544 F545 L546 R551 S552 | V544-S548 PolarHBondContact O-N 2.91Å; F545-S548 CarbonylContact O-C 3.6Å; F545-S548 VanDerWaalsContact O-CA 3.31Å; F545-S548 WeakPolarHBondContact O-CA 3.47Å; F545-S548 VanDerWaalsContact O-CB 3.26Å; F545-S548 WeakPolarHBondContact O-CB 3.34Å; F545-S548 PolarHBondContact O-N 3.03Å; L546-S548 VanDerWaalsContact C-N 3.27Å; L546-S548 PolarHBondContact O-N 3.44Å; S548-R551 PolarHBondContact O-N 3.45Å; S548-S552 PolarHBondContact O-N 2.7Å; S548-S552 PolarHBondContact O-OG 2.9Å |
| 549 | L | 82 | Confident | 70 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 171.7 | -75.3 | 173.5 | 0 | 0 | 0 | 110.7 | F545 L546 R551 S552 L553 L569 L570 | F545-L549 HydrophobicContact CD1-CD1 4.11Å; F545-L549 HydrophobicContact CD1-CG 4.33Å; F545-L549 HydrophobicContact CE1-CD1 3.49Å; F545-L549 VanDerWaalsContact CE1-CD1 3.49Å; F545-L549 HydrophobicContact CE1-CD2 4.15Å; F545-L549 HydrophobicContact CE1-CG 3.7Å; F545-L549 HydrophobicContact CE2-CD2 4.22Å; F545-L549 HydrophobicContact CE2-CG 4.03Å; F545-L549 HydrophobicContact CZ-CD1 3.85Å; F545-L549 HydrophobicContact CZ-CD2 3.6Å; F545-L549 HydrophobicContact CZ-CG 3.53Å; F545-L549 PolarHBondContact O-N 2.95Å; L546-L549 PolarHBondContact O-N 2.91Å; L549-R551 PolarHBondContact O-N 3.24Å; L549-S552 WeakPolarHBondContact CA-OG 3.38Å; L549-S552 PolarHBondContact O-N 3.09Å; L549-S552 PolarHBondContact O-OG 3.04Å; L549-L553 PolarHBondContact O-N 2.81Å; L549-L553 VanDerWaalsContact O-N 3.16Å; L549-L569 HydrophobicContact CD1-CD2 4.35Å; L549-L569 HydrophobicContact CD2-CD2 4.26Å; L549-L570 HydrophobicContact CD1-CD2 4.12Å; L549-L570 HydrophobicContact CD1-CG 4.46Å |
| 550 | F | 82 | Confident | 71.8 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -27 | -179.4 | -71.1 | 13.3 | 0 | 0 | 0 | 112 | L540 L546 L570 N601 T603 L604 | L540-F550 HydrophobicContact CD1-CD2 3.94Å; L540-F550 HydrophobicContact CD1-CE2 4.25Å; L546-F550 HydrophobicContact CD2-CD1 3.96Å; L546-F550 HydrophobicContact CD2-CD2 3.75Å; L546-F550 HydrophobicContact CD2-CE1 3.64Å; L546-F550 HydrophobicContact CD2-CE2 3.44Å; L546-F550 VanDerWaalsContact CD2-CE2 3.44Å; L546-F550 HydrophobicContact CD2-CG 4.01Å; L546-F550 HydrophobicContact CD2-CZ 3.36Å; L546-F550 HydrophobicContact CG-CE1 4.29Å; L546-F550 HydrophobicContact CG-CZ 4.27Å; L546-F550 PolarHBondContact O-N 3.39Å; F550-L570 HydrophobicContact CE1-CD1 4.44Å; F550-N601 WeakPolarHBondContact CZ-ND2 3.47Å; F550-T603 HydrophobicContact CD2-CG2 3.77Å; F550-T603 HydrophobicContact CE2-CG2 4.25Å; F550-L604 HydrophobicContact CD1-CD1 4.11Å; F550-L604 HydrophobicContact CE1-CB 4.14Å; F550-L604 HydrophobicContact CE1-CD1 3.78Å; F550-L604 HydrophobicContact CE1-CD2 4.17Å; F550-L604 HydrophobicContact CE1-CG 4.25Å; F550-L604 HydrophobicContact CE2-CB 3.98Å; F550-L604 HydrophobicContact CZ-CB 3.68Å; F550-L604 HydrophobicContact CZ-CD1 4.23Å; F550-L604 HydrophobicContact CZ-CD2 4.15Å; F550-L604 HydrophobicContact CZ-CG 4.23Å |
| 551 | R | 81.1 | Confident | 73.2 | Confident | 190 Ų | 190 | 42.5 Ų | 42.5 | 72% | 0.717 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -75 | -32.4 | 171.1 | -175.8 | 173 | -178.9 | 137.4 | 5.8 | 113.4 | R547 S548 L549 L553 G554 | R547-R551 VanDerWaalsContact O-CB 3.29Å; R547-R551 WeakPolarHBondContact O-CB 3.29Å; R547-R551 PolarHBondContact O-N 2.9Å; S548-R551 PolarHBondContact O-N 3.45Å; L549-R551 PolarHBondContact O-N 3.24Å; R551-L553 VanDerWaalsContact C-N 3.33Å; R551-G554 PolarHBondContact O-N 3.48Å; R551-G554 VanDerWaalsContact O-N 3.15Å |
| 552 | S | 83.1 | Confident | 74.9 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.3 | -15.2 | 179.3 | 28.4 | 0 | 0 | 0 | 0 | 113.5 | Y304 S548 L549 G554 A563 S566 | Y304-S552 PolarHBondContact OH-OG 3.49Å; S548-S552 PolarHBondContact O-N 2.7Å; S548-S552 PolarHBondContact O-OG 2.9Å; L549-S552 WeakPolarHBondContact CA-OG 3.38Å; L549-S552 PolarHBondContact O-N 3.09Å; L549-S552 PolarHBondContact O-OG 3.04Å; S552-G554 PolarHBondContact O-N 3.49Å; S552-A563 WeakPolarHBondContact O-CA 3.34Å; S552-A563 VanDerWaalsContact O-CB 3.28Å; S552-A563 WeakPolarHBondContact O-CB 3.39Å; S552-A563 PolarHBondContact O-N 3.29Å; S552-S566 PolarHBondContact OG-OG 2.99Å |
| 553 | L | 84.7 | Confident | 76.6 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.5 | 161.9 | -61.8 | 177.8 | 0 | 0 | 0 | 112.7 | L549 R551 I555 I567 L604 K607 L608 | L549-L553 PolarHBondContact O-N 2.81Å; L549-L553 VanDerWaalsContact O-N 3.16Å; R551-L553 VanDerWaalsContact C-N 3.33Å; L553-I555 PolarHBondContact O-N 3.37Å; L553-I567 HydrophobicContact CD2-CD1 4.23Å; L553-I567 HydrophobicContact CD2-CG1 3.6Å; L553-L604 HydrophobicContact CD1-CD1 3.55Å; L553-K607 HydrophobicContact CB-CB 4.13Å; L553-K607 HydrophobicContact CD1-CB 3.94Å; L553-L608 HydrophobicContact CD1-CD2 4.32Å; L553-L608 HydrophobicContact CD2-CD2 4.41Å |
| 554 | G | 76.8 | Confident | 77.6 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -78.8 | 101.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R551 S552 G556 | R551-G554 PolarHBondContact O-N 3.48Å; R551-G554 VanDerWaalsContact O-N 3.15Å; S552-G554 PolarHBondContact O-N 3.49Å; G554-G556 PolarHBondContact O-N 2.92Å |
| 555 | I | 69.7 | Low | 78.8 | Confident | 31 Ų | 31 | 34.2 Ų | 34.2 | 16% | 0.159 | 21% | 0.208 | C | C | . | . | trans | -84.6 | 112.3 | -173.2 | -68.8 | 179.7 | 0 | 0 | 0 | 111.4 | L553 D560 A563 L611 I622 | L553-I555 PolarHBondContact O-N 3.37Å; I555-D560 HydrophobicContact CD1-CB 3.52Å; I555-A563 HydrophobicContact CD1-CB 3.65Å; I555-A563 HydrophobicContact CG1-CB 3.77Å; I555-L611 HydrophobicContact CD1-CD1 3.26Å; I555-L611 HydrophobicContact CG1-CD1 3.89Å; I555-I622 HydrophobicContact CB-CD1 4.48Å; I555-I622 HydrophobicContact CD1-CD1 3.71Å; I555-I622 HydrophobicContact CD1-CG1 3.63Å; I555-I622 HydrophobicContact CD1-CG2 4.49Å; I555-I622 HydrophobicContact CG2-CG1 4.33Å | ||
| 556 | G | 63.6 | Low | 79.6 | Confident | 56 Ų | 56 | 34 Ų | 34 | 58% | 0.577 | 21% | 0.206 | S | C | * | . | trans | -74.2 | -173.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G554 G558 | G554-G556 PolarHBondContact O-N 2.92Å; G556-G558 PolarHBondContact O-N 2.87Å | ||
| 557 | S | 56.6 | Low | 80.4 | Confident | 111 Ų | 111 | 33.9 Ų | 33.9 | 78% | 0.776 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -63.8 | 7.9 | -177.3 | 54.4 | 0 | 0 | 0 | 0 | 116.7 | R621 | S557-R621 PolarHBondContact O-NH1 3.19Š|
| 558 | G | 67.9 | Low | 81.2 | Confident | 43 Ų | 43 | 29.1 Ų | 29.1 | 44% | 0.443 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -88.8 | -127.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G556 R621 | G556-G558 PolarHBondContact O-N 2.87Å; G558-R621 WeakPolarHBondContact O-CD 3.47Å |
| 559 | S | 76.8 | Confident | 82 | Confident | 48 Ų | 48 | 28.5 Ų | 28.5 | 34% | 0.336 | 18% | 0.184 | S | C | . | . | trans | -117.2 | 148.4 | 179.3 | 164.4 | 0 | 0 | 0 | 0 | 110.3 | Q561 P707 | S559-Q561 PolarHBondContact O-N 3.44Å; S559-Q561 PolarHBondContact OG-N 3.46Å; S559-P707 WeakPolarHBondContact OG-CG 3.3Å | ||
| 560 | D | 87.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 4 | 173.2 | 72.7 | -18.2 | 0 | 0 | 0 | 115.7 | I555 D562 A563 L564 I622 R623 T626 | I555-D560 HydrophobicContact CD1-CB 3.52Å; D560-D562 PolarHBondContact O-N 2.66Å; D560-A563 WeakPolarHBondContact O-CB 3.37Å; D560-A563 PolarHBondContact O-N 3.48Å; D560-A563 VanDerWaalsContact O-N 3.16Å; D560-L564 WeakPolarHBondContact O-CB 3.24Å; D560-L564 PolarHBondContact O-N 3.44Å; D560-I622 HydrophobicContact CB-CB 4.48Å; D560-I622 HydrophobicContact CB-CG1 4.42Å; D560-I622 HydrophobicContact CB-CG2 4.29Å; D560-R623 IonicContact OD1-CZ 3.62Å; D560-R623 IonicContact OD1-NE 2.68Å; D560-R623 PolarHBondContact OD1-NE 3.3Å; D560-R623 IonicContact OD1-NH2 3.44Å; D560-R623 PolarHBondContact OD1-NH2 3.34Å; D560-R623 WeakPolarHBondContact OD2-CB 3.23Å; D560-R623 PolarHBondContact OD2-N 2.87Å; D560-R623 IonicContact OD2-NE 3.74Å; D560-R623 PolarHBondContact OD2-NE 2.89Å; D560-R623 IonicContact OD2-NH2 2.78Å; D560-T626 HydrophobicContact CB-CG2 4.31Å; D560-T626 WeakPolarHBondContact OD2-CB 3.41Å; D560-T626 PolarHBondContact OD2-OG1 3.02Å |
| 561 | Q | 86 | Confident | 82.9 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | -174.3 | -168.8 | -177.9 | 22.3 | 0 | 0 | 112.8 | S559 A563 L564 F565 L703 L704 K706 | S559-Q561 PolarHBondContact O-N 3.44Å; S559-Q561 PolarHBondContact OG-N 3.46Å; Q561-A563 VanDerWaalsContact C-N 3.31Å; Q561-A563 PolarHBondContact O-N 3.14Å; Q561-L564 PolarHBondContact O-N 3.24Å; Q561-F565 HydrophobicContact CG-CD2 3.86Å; Q561-F565 HydrophobicContact CG-CE2 3.53Å; Q561-F565 HydrophobicContact CG-CZ 4.4Å; Q561-F565 VanDerWaalsContact O-CD2 3.28Å; Q561-F565 WeakPolarHBondContact O-CD2 3.41Å; Q561-F565 PolarHBondContact O-N 2.77Å; Q561-L703 PolarHBondContact NE2-O 3.28Å; Q561-L704 PolarHBondContact NE2-O 3Å; Q561-K706 VanDerWaalsContact OE1-CG 3.3Å |
| 562 | D | 85.7 | Confident | 83.4 | Confident | 48 Ų | 48 | 19.9 Ų | 19.9 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.8 | -35.8 | 176.5 | -80.9 | 19.5 | 0 | 0 | 0 | 111.7 | K284 Y304 D560 S566 | K284-D562 IonicContact NZ-OD2 2.64Å; K284-D562 PolarHBondContact NZ-OD2 2.89Å; Y304-D562 HydrophobicContact CD1-CB 4.48Å; Y304-D562 WeakPolarHBondContact CD1-OD1 3.44Å; Y304-D562 HydrophobicContact CE1-CB 3.96Å; D560-D562 PolarHBondContact O-N 2.66Å; D562-S566 WeakPolarHBondContact O-CB 3.28Å; D562-S566 PolarHBondContact O-N 2.94Å; D562-S566 PolarHBondContact O-OG 3.47Å |
| 563 | A | 90.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.1 | -45.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S552 I555 D560 Q561 F565 S566 I567 L611 | S552-A563 WeakPolarHBondContact O-CA 3.34Å; S552-A563 VanDerWaalsContact O-CB 3.28Å; S552-A563 WeakPolarHBondContact O-CB 3.39Å; S552-A563 PolarHBondContact O-N 3.29Å; I555-A563 HydrophobicContact CD1-CB 3.65Å; I555-A563 HydrophobicContact CG1-CB 3.77Å; D560-A563 WeakPolarHBondContact O-CB 3.37Å; D560-A563 PolarHBondContact O-N 3.48Å; D560-A563 VanDerWaalsContact O-N 3.16Å; Q561-A563 VanDerWaalsContact C-N 3.31Å; Q561-A563 PolarHBondContact O-N 3.14Å; A563-F565 PolarHBondContact O-N 3.14Å; A563-S566 WeakPolarHBondContact O-CB 3.43Å; A563-S566 PolarHBondContact O-N 3.3Å; A563-S566 VanDerWaalsContact O-N 3.17Å; A563-I567 WeakPolarHBondContact O-CD1 3.17Å; A563-I567 VanDerWaalsContact O-CG1 3.32Å; A563-I567 WeakPolarHBondContact O-CG1 3.11Å; A563-I567 PolarHBondContact O-N 3.03Å; A563-L611 HydrophobicContact CB-CD1 4.45Å |
| 564 | L | 90.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 175.6 | 177.3 | 61.6 | 0 | 0 | 0 | 110.7 | D560 Q561 S566 I567 L568 I625 T626 L703 | D560-L564 WeakPolarHBondContact O-CB 3.24Å; D560-L564 PolarHBondContact O-N 3.44Å; Q561-L564 PolarHBondContact O-N 3.24Å; L564-S566 VanDerWaalsContact C-N 3.31Å; L564-S566 PolarHBondContact O-N 3.05Å; L564-I567 PolarHBondContact O-N 3.17Å; L564-L568 HydrophobicContact CD1-CD1 4.02Å; L564-L568 HydrophobicContact CD1-CG 4.1Å; L564-L568 HydrophobicContact CG-CD1 3.88Å; L564-L568 HydrophobicContact CG-CG 4.36Å; L564-L568 WeakPolarHBondContact O-CB 3.42Å; L564-L568 VanDerWaalsContact O-CG 3.24Å; L564-L568 WeakPolarHBondContact O-CG 3.37Å; L564-L568 PolarHBondContact O-N 3.3Å; L564-I625 HydrophobicContact CD1-CG2 4.44Å; L564-I625 HydrophobicContact CD2-CG2 4.19Å; L564-T626 HydrophobicContact CB-CG2 4.05Å; L564-T626 HydrophobicContact CD1-CG2 4.48Å; L564-L703 HydrophobicContact CD2-CD2 3.91Å |
| 565 | F | 90 | Very high | 84.8 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -37.4 | 176.1 | -75.9 | -43.3 | 0 | 0 | 0 | 112.8 | V308 F309 I312 Q561 A563 L568 L569 L703 L704 | V308-F565 HydrophobicContact CB-CB 4.22Å; V308-F565 HydrophobicContact CG1-CB 3.73Å; V308-F565 WeakPolarHBondContact CG1-O 3.4Å; F309-F565 HydrophobicContact CB-CE1 4.24Å; F309-F565 HydrophobicContact CB-CZ 4.48Å; F309-F565 AromaticContact CD2-CE1 3.86Å; F309-F565 HydrophobicContact CD2-CE1 3.86Å; F309-F565 HydrophobicContact CD2-CZ 4.33Å; I312-F565 HydrophobicContact CD1-CD1 4.04Å; Q561-F565 HydrophobicContact CG-CD2 3.86Å; Q561-F565 HydrophobicContact CG-CE2 3.53Å; Q561-F565 HydrophobicContact CG-CZ 4.4Å; Q561-F565 VanDerWaalsContact O-CD2 3.28Å; Q561-F565 WeakPolarHBondContact O-CD2 3.41Å; Q561-F565 PolarHBondContact O-N 2.77Å; A563-F565 PolarHBondContact O-N 3.14Å; F565-L568 HydrophobicContact CD1-CD1 4.33Å; F565-L568 PolarHBondContact O-N 3.01Å; F565-L569 WeakPolarHBondContact O-CB 3.47Å; F565-L569 PolarHBondContact O-N 2.69Å; F565-L703 HydrophobicContact CE1-CB 3.98Å; F565-L703 HydrophobicContact CZ-CB 4.05Å; F565-L703 VanDerWaalsContact CZ-O 3.23Å; F565-L703 WeakPolarHBondContact CZ-O 3.38Å; F565-L704 HydrophobicContact CZ-CD2 4.15Å |
| 566 | S | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 174.9 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | Y304 S552 D562 A563 L564 L570 | Y304-S566 PolarHBondContact OH-OG 3.26Å; S552-S566 PolarHBondContact OG-OG 2.99Å; D562-S566 WeakPolarHBondContact O-CB 3.28Å; D562-S566 PolarHBondContact O-N 2.94Å; D562-S566 PolarHBondContact O-OG 3.47Å; A563-S566 WeakPolarHBondContact O-CB 3.43Å; A563-S566 PolarHBondContact O-N 3.3Å; A563-S566 VanDerWaalsContact O-N 3.17Å; L564-S566 VanDerWaalsContact C-N 3.31Å; L564-S566 PolarHBondContact O-N 3.05Å; S566-L570 WeakPolarHBondContact O-CB 3.45Å; S566-L570 VanDerWaalsContact O-CG 3.29Å; S566-L570 WeakPolarHBondContact O-CG 3.39Å; S566-L570 PolarHBondContact O-N 3.06Å |
| 567 | I | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.8 | -46.3 | 176 | -63.8 | 157.4 | 0 | 0 | 0 | 110.7 | L553 A563 L564 L569 L570 F571 L608 L611 T626 M629 A630 L633 | L553-I567 HydrophobicContact CD2-CD1 4.23Å; L553-I567 HydrophobicContact CD2-CG1 3.6Å; A563-I567 WeakPolarHBondContact O-CD1 3.17Å; A563-I567 VanDerWaalsContact O-CG1 3.32Å; A563-I567 WeakPolarHBondContact O-CG1 3.11Å; A563-I567 PolarHBondContact O-N 3.03Å; L564-I567 PolarHBondContact O-N 3.17Å; I567-L569 VanDerWaalsContact C-N 3.3Å; I567-L569 PolarHBondContact O-N 3.43Å; I567-L570 PolarHBondContact O-N 3.29Å; I567-F571 WeakPolarHBondContact O-CB 3.35Å; I567-F571 PolarHBondContact O-N 2.87Å; I567-L608 HydrophobicContact CG1-CD2 4.27Å; I567-L611 HydrophobicContact CD1-CD2 3.61Å; I567-T626 HydrophobicContact CD1-CG2 3.98Å; I567-M629 HydrophobicContact CG2-CB 3.76Å; I567-A630 HydrophobicContact CD1-CB 3.92Å; I567-L633 HydrophobicContact CG2-CB 4.18Å; I567-L633 HydrophobicContact CG2-CD2 4Å |
| 568 | L | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 179.3 | -70.6 | 172.1 | 0 | 0 | 0 | 111.4 | I312 L564 F565 A572 M629 L694 L697 L703 | I312-L568 HydrophobicContact CD1-CB 3.52Å; I312-L568 HydrophobicContact CD1-CD1 4.45Å; I312-L568 HydrophobicContact CG1-CB 4.19Å; L564-L568 HydrophobicContact CD1-CD1 4.02Å; L564-L568 HydrophobicContact CD1-CG 4.1Å; L564-L568 HydrophobicContact CG-CD1 3.88Å; L564-L568 HydrophobicContact CG-CG 4.36Å; L564-L568 WeakPolarHBondContact O-CB 3.42Å; L564-L568 VanDerWaalsContact O-CG 3.24Å; L564-L568 WeakPolarHBondContact O-CG 3.37Å; L564-L568 PolarHBondContact O-N 3.3Å; F565-L568 HydrophobicContact CD1-CD1 4.33Å; F565-L568 PolarHBondContact O-N 3.01Å; L568-A572 WeakPolarHBondContact O-CB 3.31Å; L568-A572 PolarHBondContact O-N 2.77Å; L568-M629 HydrophobicContact CD2-CE 4Å; L568-M629 HydrophobicContact CD2-CG 4.33Å; L568-L694 HydrophobicContact CD2-CD1 3.62Å; L568-L697 HydrophobicContact CD2-CD2 3.91Å; L568-L703 HydrophobicContact CD1-CD1 4.21Å |
| 569 | L | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.7 | -48.5 | 176 | -178 | 64.4 | 0 | 0 | 0 | 112.2 | V308 L311 I312 Y315 F545 L549 F565 I567 F571 A572 I573 | V308-L569 HydrophobicContact CG1-CB 3.88Å; V308-L569 HydrophobicContact CG1-CD2 4.06Å; V308-L569 HydrophobicContact CG1-CG 4.47Å; L311-L569 HydrophobicContact CB-CD1 3.94Å; I312-L569 HydrophobicContact CD1-CB 4.43Å; I312-L569 HydrophobicContact CG1-CB 3.92Å; I312-L569 HydrophobicContact CG1-CD1 4.16Å; Y315-L569 HydrophobicContact CD2-CD1 3.69Å; Y315-L569 HydrophobicContact CE2-CD1 4.08Å; F545-L569 HydrophobicContact CE1-CD2 4.08Å; F545-L569 HydrophobicContact CZ-CD2 4.13Å; L549-L569 HydrophobicContact CD1-CD2 4.35Å; L549-L569 HydrophobicContact CD2-CD2 4.26Å; F565-L569 WeakPolarHBondContact O-CB 3.47Å; F565-L569 PolarHBondContact O-N 2.69Å; I567-L569 VanDerWaalsContact C-N 3.3Å; I567-L569 PolarHBondContact O-N 3.43Å; L569-F571 VanDerWaalsContact C-N 3.28Å; L569-F571 PolarHBondContact O-N 3.5Å; L569-A572 PolarHBondContact O-N 3.42Å; L569-I573 HydrophobicContact CD1-CD1 4.14Å; L569-I573 HydrophobicContact CD1-CG1 4.32Å; L569-I573 HydrophobicContact CG-CD1 3.9Å; L569-I573 HydrophobicContact CG-CG1 4.49Å; L569-I573 VanDerWaalsContact O-CG1 3.29Å; L569-I573 WeakPolarHBondContact O-CG1 3.32Å; L569-I573 PolarHBondContact O-N 3.15Å |
| 570 | L | 91.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 177.5 | -71 | 170.4 | 0 | 0 | 0 | 111.7 | L549 F550 S566 I567 K574 L589 L604 L633 | L549-L570 HydrophobicContact CD1-CD2 4.12Å; L549-L570 HydrophobicContact CD1-CG 4.46Å; F550-L570 HydrophobicContact CE1-CD1 4.44Å; S566-L570 WeakPolarHBondContact O-CB 3.45Å; S566-L570 VanDerWaalsContact O-CG 3.29Å; S566-L570 WeakPolarHBondContact O-CG 3.39Å; S566-L570 PolarHBondContact O-N 3.06Å; I567-L570 PolarHBondContact O-N 3.29Å; L570-K574 PolarHBondContact O-N 2.97Å; L570-L589 HydrophobicContact CD2-CD1 4.01Å; L570-L589 HydrophobicContact CD2-CD2 4.39Å; L570-L604 HydrophobicContact CD1-CD1 3.9Å; L570-L604 HydrophobicContact CD1-CD2 4.47Å; L570-L633 HydrophobicContact CB-CD2 3.8Å; L570-L633 HydrophobicContact CD1-CD2 4.22Å |
| 571 | F | 91 | Very high | 90.5 | Very high | 10 Ų | 10 | 26 Ų | 26 | 4% | 0.044 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.4 | -37 | 176.7 | -174 | -90.2 | 0 | 0 | 0 | 112.3 | I567 L569 S575 M629 R632 L633 D636 L694 | I567-F571 WeakPolarHBondContact O-CB 3.35Å; I567-F571 PolarHBondContact O-N 2.87Å; L569-F571 VanDerWaalsContact C-N 3.28Å; L569-F571 PolarHBondContact O-N 3.5Å; F571-S575 WeakPolarHBondContact CE1-OG 3.29Å; F571-S575 VanDerWaalsContact O-CB 3.24Å; F571-S575 WeakPolarHBondContact O-CB 3.32Å; F571-S575 PolarHBondContact O-N 3.1Å; F571-S575 PolarHBondContact O-OG 3Å; F571-M629 HydrophobicContact CB-CE 4.5Å; F571-M629 HydrophobicContact CD1-CE 3.94Å; F571-M629 HydrophobicContact CE1-CE 4.4Å; F571-M629 HydrophobicContact CG-CE 4.04Å; F571-R632 HydrophobicContact CE2-CG 3.9Å; F571-R632 HydrophobicContact CZ-CG 4.47Å; F571-L633 HydrophobicContact CB-CD1 4.33Å; F571-L633 HydrophobicContact CD2-CB 4.44Å; F571-L633 HydrophobicContact CD2-CD1 4.31Å; F571-D636 WeakPolarHBondContact CE2-OD2 3.47Å; F571-L694 HydrophobicContact CD1-CD1 3.66Å; F571-L694 HydrophobicContact CD1-CD2 3.54Å; F571-L694 HydrophobicContact CD1-CG 4.08Å; F571-L694 HydrophobicContact CE1-CB 4.2Å; F571-L694 HydrophobicContact CE1-CD1 4.15Å; F571-L694 HydrophobicContact CE1-CD2 3.79Å; F571-L694 HydrophobicContact CE1-CG 4.25Å |
| 572 | A | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | I312 L568 L569 K574 S575 N576 L694 | I312-A572 HydrophobicContact CG2-CB 4.39Å; L568-A572 WeakPolarHBondContact O-CB 3.31Å; L568-A572 PolarHBondContact O-N 2.77Å; L569-A572 PolarHBondContact O-N 3.42Å; A572-K574 PolarHBondContact O-N 2.89Å; A572-S575 PolarHBondContact O-N 2.88Å; A572-N576 WeakPolarHBondContact O-CB 3.48Å; A572-N576 PolarHBondContact O-N 2.93Å; A572-L694 HydrophobicContact CB-CD2 4.08Å |
| 573 | I | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.2 | -49.9 | 174.6 | -68.6 | 165 | 0 | 0 | 0 | 110.3 | Y315 T328 I331 L569 S575 N576 V579 L584 L589 | Y315-I573 HydrophobicContact CD1-CB 4.48Å; Y315-I573 HydrophobicContact CD1-CG1 3.84Å; Y315-I573 HydrophobicContact CD2-CG1 3.91Å; Y315-I573 HydrophobicContact CE1-CG1 3.76Å; Y315-I573 HydrophobicContact CE2-CD1 4.3Å; Y315-I573 HydrophobicContact CE2-CG1 3.87Å; Y315-I573 HydrophobicContact CG-CG1 3.93Å; T328-I573 HydrophobicContact CG2-CG2 4.07Å; I331-I573 HydrophobicContact CG2-CD1 4.22Å; L569-I573 HydrophobicContact CD1-CD1 4.14Å; L569-I573 HydrophobicContact CD1-CG1 4.32Å; L569-I573 HydrophobicContact CG-CD1 3.9Å; L569-I573 HydrophobicContact CG-CG1 4.49Å; L569-I573 VanDerWaalsContact O-CG1 3.29Å; L569-I573 WeakPolarHBondContact O-CG1 3.32Å; L569-I573 PolarHBondContact O-N 3.15Å; I573-S575 VanDerWaalsContact C-N 3.28Å; I573-S575 PolarHBondContact O-N 3.25Å; I573-N576 PolarHBondContact O-N 3.03Å; I573-V579 HydrophobicContact CG2-CG2 4.46Å; I573-L584 HydrophobicContact CG2-CD2 4.33Å; I573-L589 HydrophobicContact CG2-CD1 4.12Å |
| 574 | K | 90.2 | Very high | 90.5 | Very high | 43 Ų | 43 | 26.2 Ų | 26.2 | 19% | 0.187 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.4 | -30.1 | 178 | -174.7 | -179.9 | 169.1 | 85.6 | 0 | 113.3 | L570 A572 L589 D590 D636 | L570-K574 PolarHBondContact O-N 2.97Å; A572-K574 PolarHBondContact O-N 2.89Å; K574-L589 VanDerWaalsContact CD-O 3.31Å; K574-L589 WeakPolarHBondContact CD-O 3.24Å; K574-L589 WeakPolarHBondContact CG-O 3.38Å; K574-L589 PolarHBondContact NZ-O 2.74Å; K574-D590 VanDerWaalsContact NZ-C 3.28Å; K574-D590 PolarHBondContact NZ-O 2.92Å; K574-D636 HydrophobicContact CD-CB 4.27Å; K574-D636 WeakPolarHBondContact CE-O 3.33Å; K574-D636 PolarHBondContact NZ-O 2.87Å |
| 575 | S | 89.8 | Confident | 90.2 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 42% | 0.42 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -85.9 | -13.8 | -178.7 | -58.5 | 0 | 0 | 0 | 0 | 114.2 | F571 A572 I573 K577 | F571-S575 WeakPolarHBondContact CE1-OG 3.29Å; F571-S575 VanDerWaalsContact O-CB 3.24Å; F571-S575 WeakPolarHBondContact O-CB 3.32Å; F571-S575 PolarHBondContact O-N 3.1Å; F571-S575 PolarHBondContact O-OG 3Å; A572-S575 PolarHBondContact O-N 2.88Å; I573-S575 VanDerWaalsContact C-N 3.28Å; I573-S575 PolarHBondContact O-N 3.25Å; S575-K577 PolarHBondContact O-N 3.04Å |
| 576 | N | 92.2 | Very high | 89.5 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | trans | -78.8 | 116.9 | -175.4 | -176 | -63.5 | 0 | 0 | 0 | 110.9 | Y315 L318 A572 I573 G578 V579 | Y315-N576 HydrophobicContact CD1-CB 4.31Å; Y315-N576 WeakPolarHBondContact O-CB 3.48Å; Y315-N576 PolarHBondContact O-ND2 2.82Å; L318-N576 PolarHBondContact O-ND2 3.2Å; A572-N576 WeakPolarHBondContact O-CB 3.48Å; A572-N576 PolarHBondContact O-N 2.93Å; I573-N576 PolarHBondContact O-N 3.03Å; N576-G578 PolarHBondContact O-N 3.06Å; N576-G578 VanDerWaalsContact O-N 3.14Å; N576-G578 VanDerWaalsContact OD1-CA 3.27Å; N576-G578 WeakPolarHBondContact OD1-CA 3.48Å; N576-G578 PolarHBondContact OD1-N 3.45Å; N576-V579 HydrophobicContact CB-CG2 4Å; N576-V579 PolarHBondContact O-N 2.92Å; N576-V579 VanDerWaalsContact O-N 3.15Å; N576-V579 PolarHBondContact OD1-N 3.49Å | ||
| 577 | K | 90.4 | Very high | 88.7 | Confident | 198 Ų | 198 | 32.7 Ų | 32.7 | 86% | 0.861 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -12.5 | -177.9 | -61.6 | -173.4 | 178.6 | -174.2 | 0 | 114.8 | S575 | S575-K577 PolarHBondContact O-N 3.04Š|
| 578 | G | 90 | Very high | 88 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -22.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T321 N576 D580 | T321-G578 VanDerWaalsContact CA-O 3.31Å; T321-G578 WeakPolarHBondContact CA-O 3.45Å; T321-G578 WeakPolarHBondContact CB-O 3.5Å; T321-G578 WeakPolarHBondContact CG2-O 3.41Å; T321-G578 PolarHBondContact OG1-O 3.31Å; N576-G578 PolarHBondContact O-N 3.06Å; N576-G578 VanDerWaalsContact O-N 3.14Å; N576-G578 VanDerWaalsContact OD1-CA 3.27Å; N576-G578 WeakPolarHBondContact OD1-CA 3.48Å; N576-G578 PolarHBondContact OD1-N 3.45Å; G578-D580 PolarHBondContact O-N 2.97Å |
| 579 | V | 91.2 | Very high | 87.6 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -73.2 | 120.6 | 173.8 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | Y315 I324 T328 I573 N576 T583 L584 | Y315-V579 HydrophobicContact CD1-CG2 4.49Å; Y315-V579 HydrophobicContact CE1-CG2 4.28Å; I324-V579 HydrophobicContact CG2-CB 4.25Å; I324-V579 HydrophobicContact CG2-CG2 3.31Å; T328-V579 HydrophobicContact CG2-CG1 4.34Å; I573-V579 HydrophobicContact CG2-CG2 4.46Å; N576-V579 HydrophobicContact CB-CG2 4Å; N576-V579 PolarHBondContact O-N 2.92Å; N576-V579 VanDerWaalsContact O-N 3.15Å; N576-V579 PolarHBondContact OD1-N 3.49Å; V579-T583 HydrophobicContact CG1-CG2 3.84Å; V579-L584 HydrophobicContact CB-CD2 4.33Å; V579-L584 HydrophobicContact CB-CG 4.4Å; V579-L584 HydrophobicContact CG1-CD2 3.77Å; V579-L584 HydrophobicContact CG1-CG 3.8Å |
| 580 | D | 90.6 | Very high | 86.9 | Confident | 39 Ų | 39 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | trans | -74.7 | 158.8 | 178.2 | 77.1 | 41.1 | 0 | 0 | 0 | 112.9 | C325 R412 G578 A582 T583 L584 | C325-D580 PolarHBondContact SG-N 3.44Å; R412-D580 IonicContact CZ-OD2 3.21Å; R412-D580 IonicContact NH1-OD1 2.89Å; R412-D580 IonicContact NH1-OD2 2.69Å; R412-D580 PolarHBondContact NH1-OD2 2.95Å; R412-D580 IonicContact NH2-OD2 3.96Å; R412-D580 PolarHBondContact NH2-OD2 3.04Å; G578-D580 PolarHBondContact O-N 2.97Å; D580-A582 PolarHBondContact O-N 3.09Å; D580-A582 WeakPolarHBondContact OD1-CA 3.21Å; D580-A582 WeakPolarHBondContact OD1-CB 3.43Å; D580-A582 PolarHBondContact OD1-N 3.24Å; D580-T583 PolarHBondContact O-N 3.22Å; D580-T583 PolarHBondContact OD1-N 3.47Å; D580-L584 PolarHBondContact O-N 3.02Å | ||
| 581 | L | 88.3 | Confident | 86.2 | Confident | 108 Ų | 108 | 39.1 Ų | 39.1 | 57% | 0.565 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.3 | -26.2 | -177.5 | -178.2 | 60.8 | 0 | 0 | 0 | 113 | K585 D590 | L581-K585 HydrophobicContact CG-CD 4.47Å; L581-K585 WeakPolarHBondContact O-CB 3.18Å; L581-K585 WeakPolarHBondContact O-CG 3.44Å; L581-K585 PolarHBondContact O-N 3.18Å; L581-D590 HydrophobicContact CD1-CB 3.73Å |
| 582 | A | 86.4 | Confident | 85.3 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -76.4 | -40.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P409 D580 L584 K585 L586 | P409-A582 HydrophobicContact CB-CB 3.8Å; P409-A582 HydrophobicContact CG-CB 3.54Å; D580-A582 PolarHBondContact O-N 3.09Å; D580-A582 WeakPolarHBondContact OD1-CA 3.21Å; D580-A582 WeakPolarHBondContact OD1-CB 3.43Å; D580-A582 PolarHBondContact OD1-N 3.24Å; A582-L584 VanDerWaalsContact C-N 3.35Å; A582-K585 PolarHBondContact O-N 3.2Å; A582-L586 WeakPolarHBondContact O-CG 3.32Å; A582-L586 PolarHBondContact O-N 3.27Å |
| 583 | T | 87.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 171.3 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | T328 R412 V579 D580 L586 A587 | T328-T583 HydrophobicContact CG2-CG2 3.41Å; T328-T583 VanDerWaalsContact CG2-CG2 3.41Å; R412-T583 PolarHBondContact NH1-OG1 3.21Å; V579-T583 HydrophobicContact CG1-CG2 3.84Å; D580-T583 PolarHBondContact O-N 3.22Å; D580-T583 PolarHBondContact OD1-N 3.47Å; T583-L586 PolarHBondContact O-N 3.48Å; T583-A587 PolarHBondContact O-N 3.4Å; T583-A587 VanDerWaalsContact O-N 3.09Å |
| 584 | L | 87.2 | Confident | 82.7 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 169 | -69.1 | 177.8 | 0 | 0 | 0 | 112.8 | I573 V579 D580 A582 A587 Q588 L589 D590 | I573-L584 HydrophobicContact CG2-CD2 4.33Å; V579-L584 HydrophobicContact CB-CD2 4.33Å; V579-L584 HydrophobicContact CB-CG 4.4Å; V579-L584 HydrophobicContact CG1-CD2 3.77Å; V579-L584 HydrophobicContact CG1-CG 3.8Å; D580-L584 PolarHBondContact O-N 3.02Å; A582-L584 VanDerWaalsContact C-N 3.35Å; L584-A587 CarbonylContact O-C 3.48Å; L584-A587 WeakPolarHBondContact O-CA 3.28Å; L584-A587 VanDerWaalsContact O-CB 3.27Å; L584-A587 WeakPolarHBondContact O-CB 3.46Å; L584-A587 PolarHBondContact O-N 3.49Å; L584-A587 VanDerWaalsContact O-N 3.13Å; L584-Q588 PolarHBondContact O-N 3.29Å; L584-L589 HydrophobicContact CD2-CB 4.26Å; L584-L589 PolarHBondContact O-N 2.82Å; L584-D590 HydrophobicContact CB-CB 4.15Å |
| 585 | K | 83.7 | Confident | 81.3 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 173.7 | -84.1 | 176.5 | -177.5 | -63.3 | 0 | 112.4 | L581 A582 A587 Q588 D590 D593 | L581-K585 HydrophobicContact CG-CD 4.47Å; L581-K585 WeakPolarHBondContact O-CB 3.18Å; L581-K585 WeakPolarHBondContact O-CG 3.44Å; L581-K585 PolarHBondContact O-N 3.18Å; A582-K585 PolarHBondContact O-N 3.2Å; K585-A587 VanDerWaalsContact C-N 3.28Å; K585-A587 PolarHBondContact O-N 3.16Å; K585-Q588 PolarHBondContact O-N 3.41Å; K585-D590 WeakPolarHBondContact CE-OD2 3.33Å; K585-D590 HydrophobicContact CG-CB 3.9Å; K585-D590 WeakPolarHBondContact CG-OD2 3.44Å; K585-D590 IonicContact NZ-OD2 2.75Å; K585-D590 PolarHBondContact NZ-OD2 3.04Å; K585-D593 IonicContact NZ-OD2 2.76Å; K585-D593 PolarHBondContact NZ-OD2 3.06Å |
| 586 | L | 76.7 | Confident | 79.8 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -34 | 171.2 | -71.6 | 168.2 | 0 | 0 | 0 | 112.5 | P409 R543 A582 T583 Q588 | P409-L586 VanDerWaalsContact C-CD1 3.4Å; P409-L586 HydrophobicContact CB-CD1 3.8Å; R543-L586 PolarHBondContact NH1-O 2.83Å; R543-L586 PolarHBondContact NH2-O 2.62Å; A582-L586 WeakPolarHBondContact O-CG 3.32Å; A582-L586 PolarHBondContact O-N 3.27Å; T583-L586 PolarHBondContact O-N 3.48Å; L586-Q588 VanDerWaalsContact C-N 3.29Å |
| 587 | A | 72.7 | Confident | 78.1 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.7 | -21.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | L332 T583 L584 K585 L589 | L332-A587 HydrophobicContact CD1-CB 3.39Å; L332-A587 HydrophobicContact CD2-CB 3.86Å; L332-A587 HydrophobicContact CG-CB 4.28Å; T583-A587 PolarHBondContact O-N 3.4Å; T583-A587 VanDerWaalsContact O-N 3.09Å; L584-A587 CarbonylContact O-C 3.48Å; L584-A587 WeakPolarHBondContact O-CA 3.28Å; L584-A587 VanDerWaalsContact O-CB 3.27Å; L584-A587 WeakPolarHBondContact O-CB 3.46Å; L584-A587 PolarHBondContact O-N 3.49Å; L584-A587 VanDerWaalsContact O-N 3.13Å; K585-A587 VanDerWaalsContact C-N 3.28Å; K585-A587 PolarHBondContact O-N 3.16Å; A587-L589 VanDerWaalsContact C-N 3.28Å; A587-L589 HydrophobicContact CB-CB 3.91Å; A587-L589 HydrophobicContact CB-CD1 3.69Å; A587-L589 HydrophobicContact CB-CG 3.58Å |
| 588 | Q | 77.5 | Confident | 76.4 | Confident | 96 Ų | 96 | 55 Ų | 55 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 44.5 | -160.5 | -58.6 | 175.6 | -15.7 | 0 | 0 | 111.5 | L584 K585 L586 N601 | L584-Q588 PolarHBondContact O-N 3.29Å; K585-Q588 PolarHBondContact O-N 3.41Å; L586-Q588 VanDerWaalsContact C-N 3.29Å; Q588-N601 HydrophobicContact CB-CB 3.7Å; Q588-N601 PolarHBondContact OE1-ND2 3.32Å; Q588-N601 VanDerWaalsContact OE1-ND2 3.16Å |
| 589 | L | 84.5 | Confident | 75.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | trans | -114.6 | 2.3 | 176.9 | -65.4 | 178.1 | 0 | 0 | 0 | 112.8 | L570 I573 K574 L584 A587 G591 L604 L637 | L570-L589 HydrophobicContact CD2-CD1 4.01Å; L570-L589 HydrophobicContact CD2-CD2 4.39Å; I573-L589 HydrophobicContact CG2-CD1 4.12Å; K574-L589 VanDerWaalsContact CD-O 3.31Å; K574-L589 WeakPolarHBondContact CD-O 3.24Å; K574-L589 WeakPolarHBondContact CG-O 3.38Å; K574-L589 PolarHBondContact NZ-O 2.74Å; L584-L589 HydrophobicContact CD2-CB 4.26Å; L584-L589 PolarHBondContact O-N 2.82Å; A587-L589 VanDerWaalsContact C-N 3.28Å; A587-L589 HydrophobicContact CB-CB 3.91Å; A587-L589 HydrophobicContact CB-CD1 3.69Å; A587-L589 HydrophobicContact CB-CG 3.58Å; L589-G591 VanDerWaalsContact C-N 3.31Å; L589-G591 PolarHBondContact O-N 3.16Å; L589-L604 HydrophobicContact CD2-CD2 3.56Å; L589-L637 HydrophobicContact CD2-CD2 3.96Å | ||
| 590 | D | 78.1 | Confident | 75.2 | Confident | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.193 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -62.8 | -35.7 | 179.7 | 51.5 | -51.4 | 0 | 0 | 0 | 112.6 | K574 L581 L584 K585 | K574-D590 VanDerWaalsContact NZ-C 3.28Å; K574-D590 PolarHBondContact NZ-O 2.92Å; L581-D590 HydrophobicContact CD1-CB 3.73Å; L584-D590 HydrophobicContact CB-CB 4.15Å; K585-D590 WeakPolarHBondContact CE-OD2 3.33Å; K585-D590 HydrophobicContact CG-CB 3.9Å; K585-D590 WeakPolarHBondContact CG-OD2 3.44Å; K585-D590 IonicContact NZ-OD2 2.75Å; K585-D590 PolarHBondContact NZ-OD2 3.04Å |
| 591 | G | 75.6 | Confident | 74.9 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | trans | 108.6 | -163.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L589 D593 | L589-G591 VanDerWaalsContact C-N 3.31Å; L589-G591 PolarHBondContact O-N 3.16Å; G591-D593 PolarHBondContact O-N 2.8Å | ||
| 592 | P | 73.5 | Confident | 74.8 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | trans | -78.4 | 122.8 | -173 | 31.1 | -34.4 | 0 | 0 | 0 | 112.4 | S599 Q646 | P592-S599 VanDerWaalsContact CA-OG 3.31Å; P592-S599 WeakPolarHBondContact CA-OG 3.19Å; P592-Q646 HydrophobicContact CB-CB 4.42Å; P592-Q646 HydrophobicContact CB-CG 4.11Å | ||
| 593 | D | 68.4 | Low | 74.9 | Confident | 49 Ų | 49 | 51 Ų | 51 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | trans | -96.9 | 146.2 | 176.9 | -159.9 | -46.6 | 0 | 0 | 0 | 110.3 | K585 G591 K595 S599 Q646 | K585-D593 IonicContact NZ-OD2 2.76Å; K585-D593 PolarHBondContact NZ-OD2 3.06Å; G591-D593 PolarHBondContact O-N 2.8Å; D593-K595 PolarHBondContact O-N 3.48Å; D593-K595 PolarHBondContact OD1-N 3.31Å; D593-K595 VanDerWaalsContact OD1-N 3.14Å; D593-S599 PolarHBondContact N-OG 3.45Å; D593-Q646 PolarHBondContact O-NE2 2.69Å; D593-Q646 PolarHBondContact O-OE1 2.89Å | ||
| 594 | I | 61.5 | Low | 75 | Confident | 123 Ų | 123 | 51 Ų | 51 | 63% | 0.631 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -26.3 | -179.9 | -60.2 | 170.7 | 0 | 0 | 0 | 111 | C643 | I594-C643 HydrophobicContact CG1-CB 4.36Š|
| 595 | K | 61.9 | Low | 75.2 | Confident | 181 Ų | 181 | 50 Ų | 50 | 79% | 0.787 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -17.1 | -166.9 | -65.5 | -178.2 | 178.8 | 179.5 | 0 | 115.5 | D593 | D593-K595 PolarHBondContact O-N 3.48Å; D593-K595 PolarHBondContact OD1-N 3.31Å; D593-K595 VanDerWaalsContact OD1-N 3.14Å |
| 596 | N | 57.2 | Low | 75.6 | Confident | 107 Ų | 107 | 46.8 Ų | 46.8 | 57% | 0.572 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -136 | 130.4 | -176 | -64.2 | -34.6 | 0 | 0 | 0 | 110 | S599 | N596-S599 WeakPolarHBondContact O-CB 3.4Å; N596-S599 PolarHBondContact O-N 3.17Å; N596-S599 PolarHBondContact O-OG 2.95Å |
| 597 | E | 56.7 | Low | 76.3 | Confident | 143 Ų | 143 | 45.9 Ų | 45.9 | 67% | 0.668 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -122.2 | 131 | 168.4 | -72.7 | -159.7 | 143.3 | 0 | 0 | 111.5 | Q646 | E597-Q646 WeakPolarHBondContact OE1-CG 3.45Å; E597-Q646 PolarHBondContact OE1-NE2 2.9Å; E597-Q646 VanDerWaalsContact OE1-NE2 3.15Å |
| 598 | P | 54.9 | Low | 77.4 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | S | Bend | cis | -75.7 | 133.8 | -15.3 | 31.9 | -32.5 | 0 | 0 | 0 | 111.1 | F526 Y600 | F526-P598 HydrophobicContact CE2-CG 4.28Å; F526-P598 HydrophobicContact CZ-CG 4.45Å; P598-Y600 HydrophobicContact CB-CD1 4.05Å; P598-Y600 HydrophobicContact CB-CE1 3.67Å |
| 599 | S | 72.7 | Confident | 78.2 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | trans | -87.7 | -10.7 | -179.9 | 48.6 | 0 | 0 | 0 | 0 | 114.9 | P592 D593 N596 Q646 | P592-S599 VanDerWaalsContact CA-OG 3.31Å; P592-S599 WeakPolarHBondContact CA-OG 3.19Å; D593-S599 PolarHBondContact N-OG 3.45Å; N596-S599 WeakPolarHBondContact O-CB 3.4Å; N596-S599 PolarHBondContact O-N 3.17Å; N596-S599 PolarHBondContact O-OG 2.95Å; S599-Q646 PolarHBondContact OG-OE1 3.16Å | ||
| 600 | Y | 83.1 | Confident | 78.6 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -87 | 160.8 | -175.2 | 63.7 | -100.5 | 0 | 0 | 0 | 113.8 | P598 Y602 V605 L637 V638 Q646 S648 H651 | P598-Y600 HydrophobicContact CB-CD1 4.05Å; P598-Y600 HydrophobicContact CB-CE1 3.67Å; Y600-Y602 HydrophobicContact CE2-CD2 4.35Å; Y600-Y602 PolarHBondContact O-N 3.41Å; Y600-V605 HydrophobicContact CD2-CB 3.79Å; Y600-V605 HydrophobicContact CD2-CG1 4.29Å; Y600-V605 HydrophobicContact CD2-CG2 3.4Å; Y600-V605 HydrophobicContact CE2-CB 3.66Å; Y600-V605 HydrophobicContact CE2-CG1 3.76Å; Y600-V605 HydrophobicContact CE2-CG2 3.77Å; Y600-V605 HydrophobicContact CG-CG2 4.17Å; Y600-L637 WeakPolarHBondContact CB-O 3.23Å; Y600-V638 HydrophobicContact CD1-CG1 4.05Å; Y600-V638 HydrophobicContact CD2-CG1 4.49Å; Y600-V638 HydrophobicContact CE1-CG1 4.3Å; Y600-V638 HydrophobicContact CG-CG1 4.15Å; Y600-Q646 WeakPolarHBondContact CE1-O 3.23Å; Y600-S648 WeakPolarHBondContact OH-CB 3.27Å; Y600-S648 PolarHBondContact OH-N 3.13Å; Y600-S648 PolarHBondContact OH-OG 3.2Å; Y600-H651 AromaticContact CE2-CE1 3.33Å; Y600-H651 WeakPolarHBondContact CE2-CE1 3Å; Y600-H651 AromaticContact CE2-ND1 3.62Å; Y600-H651 AromaticContact CZ-ND1 3.65Å; Y600-H651 PolarHBondContact OH-ND1 3.17Å |
| 601 | N | 84.7 | Confident | 79.4 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | trans | -64.5 | 98.9 | 174.1 | -170.3 | -44.6 | 0 | 0 | 0 | 111.6 | F550 Q588 T603 L604 V605 | F550-N601 WeakPolarHBondContact CZ-ND2 3.47Å; Q588-N601 HydrophobicContact CB-CB 3.7Å; Q588-N601 PolarHBondContact OE1-ND2 3.32Å; Q588-N601 VanDerWaalsContact OE1-ND2 3.16Å; N601-T603 VanDerWaalsContact C-N 3.27Å; N601-T603 PolarHBondContact O-N 2.95Å; N601-T603 PolarHBondContact OD1-N 3.02Å; N601-L604 HydrophobicContact CB-CB 3.87Å; N601-L604 PolarHBondContact O-N 3.17Å; N601-L604 PolarHBondContact OD1-N 2.9Å; N601-V605 PolarHBondContact O-N 3.22Å | ||
| 602 | Y | 86.5 | Confident | 80.4 | Confident | 59 Ų | 59 | 43.2 Ų | 43.2 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -37.9 | -176.3 | -169.4 | -92.3 | 0 | 0 | 0 | 113.1 | Y600 T606 Q650 H651 | Y600-Y602 HydrophobicContact CE2-CD2 4.35Å; Y600-Y602 PolarHBondContact O-N 3.41Å; Y602-T606 VanDerWaalsContact O-CB 3.31Å; Y602-T606 WeakPolarHBondContact O-CB 3.45Å; Y602-T606 PolarHBondContact O-N 3.48Å; Y602-T606 PolarHBondContact O-OG1 3.11Å; Y602-Q650 VanDerWaalsContact OH-CD 3.32Å; Y602-Q650 PolarHBondContact OH-OE1 3.49Å; Y602-H651 WeakPolarHBondContact CA-CE1 3.43Å; Y602-H651 AromaticContact CD1-CE1 3.72Å; Y602-H651 AromaticContact CD1-NE2 3.86Å; Y602-H651 AromaticContact CD2-CE1 2.81Å; Y602-H651 WeakPolarHBondContact CD2-CE1 3.38Å; Y602-H651 AromaticContact CE1-CE1 3.92Å; Y602-H651 AromaticContact CE1-NE2 3.3Å; Y602-H651 VanDerWaalsContact CE1-NE2 3.3Å; Y602-H651 WeakPolarHBondContact CE1-NE2 3.41Å; Y602-H651 AromaticContact CE2-CE1 3.06Å; Y602-H651 WeakPolarHBondContact CE2-CE1 3.47Å; Y602-H651 AromaticContact CE2-ND1 3.88Å; Y602-H651 AromaticContact CE2-NE2 3.54Å; Y602-H651 AromaticContact CG-CE1 3.16Å; Y602-H651 AromaticContact CZ-CE1 3.61Å; Y602-H651 AromaticContact CZ-NE2 3.1Å; Y602-H651 PolarHBondContact O-CE1 3.31Å; Y602-H651 PolarHBondContact OH-NE2 3.42Å |
| 603 | T | 86.9 | Confident | 81.4 | Confident | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.08 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.1 | -45.4 | 179 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | D536 L537 F550 N601 T606 K607 | D536-T603 WeakPolarHBondContact CB-OG1 3.2Å; L537-T603 HydrophobicContact CD1-CG2 3.59Å; F550-T603 HydrophobicContact CD2-CG2 3.77Å; F550-T603 HydrophobicContact CE2-CG2 4.25Å; N601-T603 VanDerWaalsContact C-N 3.27Å; N601-T603 PolarHBondContact O-N 2.95Å; N601-T603 PolarHBondContact OD1-N 3.02Å; T603-T606 PolarHBondContact O-N 2.88Å; T603-K607 WeakPolarHBondContact O-CG 3.36Å; T603-K607 PolarHBondContact O-N 3.36Å |
| 604 | L | 89.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -47.4 | 177.9 | 177.6 | 53 | 0 | 0 | 0 | 111.4 | F550 L553 L570 L589 N601 T606 K607 L608 L637 | F550-L604 HydrophobicContact CD1-CD1 4.11Å; F550-L604 HydrophobicContact CE1-CB 4.14Å; F550-L604 HydrophobicContact CE1-CD1 3.78Å; F550-L604 HydrophobicContact CE1-CD2 4.17Å; F550-L604 HydrophobicContact CE1-CG 4.25Å; F550-L604 HydrophobicContact CE2-CB 3.98Å; F550-L604 HydrophobicContact CZ-CB 3.68Å; F550-L604 HydrophobicContact CZ-CD1 4.23Å; F550-L604 HydrophobicContact CZ-CD2 4.15Å; F550-L604 HydrophobicContact CZ-CG 4.23Å; L553-L604 HydrophobicContact CD1-CD1 3.55Å; L570-L604 HydrophobicContact CD1-CD1 3.9Å; L570-L604 HydrophobicContact CD1-CD2 4.47Å; L589-L604 HydrophobicContact CD2-CD2 3.56Å; N601-L604 HydrophobicContact CB-CB 3.87Å; N601-L604 PolarHBondContact O-N 3.17Å; N601-L604 PolarHBondContact OD1-N 2.9Å; L604-T606 VanDerWaalsContact C-N 3.34Å; L604-T606 PolarHBondContact O-N 3.08Å; L604-K607 PolarHBondContact O-N 2.92Å; L604-K607 VanDerWaalsContact O-N 3.14Å; L604-L608 HydrophobicContact CD1-CD1 4.21Å; L604-L608 HydrophobicContact CD1-CG 4.19Å; L604-L608 HydrophobicContact CG-CD1 4.2Å; L604-L608 WeakPolarHBondContact O-CG 3.21Å; L604-L608 PolarHBondContact O-N 3.48Å; L604-L637 HydrophobicContact CD2-CD1 3.65Å; L604-L637 HydrophobicContact CG-CD1 4.08Å |
| 605 | V | 91.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 178.6 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | Y600 N601 K607 L608 I609 L634 V638 L647 H651 | Y600-V605 HydrophobicContact CD2-CB 3.79Å; Y600-V605 HydrophobicContact CD2-CG1 4.29Å; Y600-V605 HydrophobicContact CD2-CG2 3.4Å; Y600-V605 HydrophobicContact CE2-CB 3.66Å; Y600-V605 HydrophobicContact CE2-CG1 3.76Å; Y600-V605 HydrophobicContact CE2-CG2 3.77Å; Y600-V605 HydrophobicContact CG-CG2 4.17Å; N601-V605 PolarHBondContact O-N 3.22Å; V605-K607 VanDerWaalsContact C-N 3.33Å; V605-K607 PolarHBondContact O-N 3.06Å; V605-L608 PolarHBondContact O-N 3.22Å; V605-I609 HydrophobicContact CG1-CD1 3.74Å; V605-I609 HydrophobicContact CG1-CG1 4.43Å; V605-I609 VanDerWaalsContact O-CG1 3.3Å; V605-I609 WeakPolarHBondContact O-CG1 3.44Å; V605-I609 PolarHBondContact O-N 2.98Å; V605-L634 HydrophobicContact CB-CD1 4.4Å; V605-L634 HydrophobicContact CG1-CD1 3.69Å; V605-L634 HydrophobicContact CG2-CD1 4.14Å; V605-V638 HydrophobicContact CG1-CG1 4.41Å; V605-V638 HydrophobicContact CG2-CG1 3.91Å; V605-L647 HydrophobicContact CG1-CD1 3.79Å; V605-H651 WeakPolarHBondContact CG1-ND1 3.41Å |
| 606 | T | 92.8 | Very high | 85.6 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.6 | -47 | 171.2 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | I533 Y602 T603 L604 I609 E610 H651 | I533-T606 HydrophobicContact CD1-CG2 3.67Å; I533-T606 HydrophobicContact CG1-CG2 4.31Å; Y602-T606 VanDerWaalsContact O-CB 3.31Å; Y602-T606 WeakPolarHBondContact O-CB 3.45Å; Y602-T606 PolarHBondContact O-N 3.48Å; Y602-T606 PolarHBondContact O-OG1 3.11Å; T603-T606 PolarHBondContact O-N 2.88Å; L604-T606 VanDerWaalsContact C-N 3.34Å; L604-T606 PolarHBondContact O-N 3.08Å; T606-I609 PolarHBondContact O-N 3.37Å; T606-E610 WeakPolarHBondContact O-CG 3.23Å; T606-E610 PolarHBondContact O-N 3.5Å; T606-H651 WeakPolarHBondContact CA-NE2 3.42Å; T606-H651 WeakPolarHBondContact CB-NE2 3.29Å; T606-H651 PolarHBondContact OG1-CE1 2.95Å; T606-H651 PolarHBondContact OG1-NE2 2.94Å |
| 607 | K | 92.3 | Very high | 87.3 | Confident | 34 Ų | 34 | 28.3 Ų | 28.3 | 15% | 0.148 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.2 | -32.4 | 179.9 | -67.1 | -68.3 | 162.2 | -140.7 | 0 | 113.8 | L553 T603 L604 V605 E610 L611 | L553-K607 HydrophobicContact CB-CB 4.13Å; L553-K607 HydrophobicContact CD1-CB 3.94Å; T603-K607 WeakPolarHBondContact O-CG 3.36Å; T603-K607 PolarHBondContact O-N 3.36Å; L604-K607 PolarHBondContact O-N 2.92Å; L604-K607 VanDerWaalsContact O-N 3.14Å; V605-K607 VanDerWaalsContact C-N 3.33Å; V605-K607 PolarHBondContact O-N 3.06Å; K607-E610 WeakPolarHBondContact CD-OE2 3.35Å; K607-E610 IonicContact NZ-OE1 2.66Å; K607-E610 PolarHBondContact NZ-OE1 2.65Å; K607-E610 IonicContact NZ-OE2 2.7Å; K607-E610 PolarHBondContact NZ-OE2 2.81Å; K607-L611 VanDerWaalsContact O-CB 3.25Å; K607-L611 WeakPolarHBondContact O-CB 3.31Å; K607-L611 PolarHBondContact O-N 3.39Å |
| 608 | L | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.5 | -35.9 | 172 | -68.9 | 172.3 | 0 | 0 | 0 | 111.9 | L553 I567 L604 V605 I612 A630 L633 L634 L637 | L553-L608 HydrophobicContact CD1-CD2 4.32Å; L553-L608 HydrophobicContact CD2-CD2 4.41Å; I567-L608 HydrophobicContact CG1-CD2 4.27Å; L604-L608 HydrophobicContact CD1-CD1 4.21Å; L604-L608 HydrophobicContact CD1-CG 4.19Å; L604-L608 HydrophobicContact CG-CD1 4.2Å; L604-L608 WeakPolarHBondContact O-CG 3.21Å; L604-L608 PolarHBondContact O-N 3.48Å; V605-L608 PolarHBondContact O-N 3.22Å; L608-I612 WeakPolarHBondContact O-CD1 3.29Å; L608-I612 VanDerWaalsContact O-CG1 3.26Å; L608-I612 WeakPolarHBondContact O-CG1 3.15Å; L608-I612 PolarHBondContact O-N 3.39Å; L608-A630 HydrophobicContact CD2-CB 4.18Å; L608-L633 HydrophobicContact CD1-CD2 4.24Å; L608-L633 HydrophobicContact CD1-CG 4.11Å; L608-L633 HydrophobicContact CD2-CD2 4.35Å; L608-L634 HydrophobicContact CD1-CB 4.3Å; L608-L637 HydrophobicContact CD1-CD1 4.05Å |
| 609 | I | 94.6 | Very high | 90.1 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -74.1 | -42.6 | 177.3 | -66.6 | 169.5 | 0 | 0 | 0 | 111.3 | V605 T606 L611 I612 G613 L634 L647 H651 I655 | V605-I609 HydrophobicContact CG1-CD1 3.74Å; V605-I609 HydrophobicContact CG1-CG1 4.43Å; V605-I609 VanDerWaalsContact O-CG1 3.3Å; V605-I609 WeakPolarHBondContact O-CG1 3.44Å; V605-I609 PolarHBondContact O-N 2.98Å; T606-I609 PolarHBondContact O-N 3.37Å; I609-L611 VanDerWaalsContact C-N 3.3Å; I609-L611 PolarHBondContact O-N 2.87Å; I609-I612 PolarHBondContact O-N 3.24Å; I609-G613 PolarHBondContact O-N 2.99Å; I609-L634 HydrophobicContact CG1-CD2 4.36Å; I609-L647 HydrophobicContact CD1-CD1 4.39Å; I609-H651 HydrophobicContact CD1-CB 3.53Å; I609-I655 HydrophobicContact CB-CG1 4.46Å; I609-I655 HydrophobicContact CD1-CD1 3.86Å; I609-I655 HydrophobicContact CD1-CG1 3.97Å; I609-I655 HydrophobicContact CG1-CD1 3.86Å; I609-I655 HydrophobicContact CG1-CG1 3.82Å; I609-I655 HydrophobicContact CG2-CG1 3.87Å |
| 610 | E | 93.8 | Very high | 90.8 | Very high | 67 Ų | 67 | 26.1 Ų | 26.1 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -54.2 | -47.9 | 170.2 | -77.7 | 176.1 | -156.7 | 0 | 0 | 111.2 | I533 T606 K607 I612 G613 D614 | I533-E610 VanDerWaalsContact CD1-OE1 3.31Å; I533-E610 WeakPolarHBondContact CD1-OE1 3.43Å; T606-E610 WeakPolarHBondContact O-CG 3.23Å; T606-E610 PolarHBondContact O-N 3.5Å; K607-E610 WeakPolarHBondContact CD-OE2 3.35Å; K607-E610 IonicContact NZ-OE1 2.66Å; K607-E610 PolarHBondContact NZ-OE1 2.65Å; K607-E610 IonicContact NZ-OE2 2.7Å; K607-E610 PolarHBondContact NZ-OE2 2.81Å; E610-I612 VanDerWaalsContact C-N 3.35Å; E610-I612 PolarHBondContact O-N 3.03Å; E610-G613 PolarHBondContact O-N 3.46Å; E610-D614 WeakPolarHBondContact O-CB 3.42Å; E610-D614 PolarHBondContact O-N 3.29Å |
| 611 | L | 94.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 177.8 | 173.6 | 69.3 | 0 | 0 | 0 | 112.9 | I555 A563 I567 K607 I609 A615 I622 A630 | I555-L611 HydrophobicContact CD1-CD1 3.26Å; I555-L611 HydrophobicContact CG1-CD1 3.89Å; A563-L611 HydrophobicContact CB-CD1 4.45Å; I567-L611 HydrophobicContact CD1-CD2 3.61Å; K607-L611 VanDerWaalsContact O-CB 3.25Å; K607-L611 WeakPolarHBondContact O-CB 3.31Å; K607-L611 PolarHBondContact O-N 3.39Å; I609-L611 VanDerWaalsContact C-N 3.3Å; I609-L611 PolarHBondContact O-N 2.87Å; L611-A615 PolarHBondContact O-N 3.44Å; L611-I622 HydrophobicContact CD1-CD1 3.84Å; L611-A630 HydrophobicContact CD2-CB 3.84Å |
| 612 | I | 95.4 | Very high | 91 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | 175.7 | -70.7 | 162.3 | 0 | 0 | 0 | 109.9 | L608 I609 E610 D614 A615 C616 A630 I631 L634 V763 | L608-I612 WeakPolarHBondContact O-CD1 3.29Å; L608-I612 VanDerWaalsContact O-CG1 3.26Å; L608-I612 WeakPolarHBondContact O-CG1 3.15Å; L608-I612 PolarHBondContact O-N 3.39Å; I609-I612 PolarHBondContact O-N 3.24Å; E610-I612 VanDerWaalsContact C-N 3.35Å; E610-I612 PolarHBondContact O-N 3.03Å; I612-D614 PolarHBondContact O-N 2.87Å; I612-A615 WeakPolarHBondContact O-CA 3.33Å; I612-A615 VanDerWaalsContact O-CB 3.31Å; I612-A615 WeakPolarHBondContact O-CB 3.5Å; I612-A615 PolarHBondContact O-N 2.95Å; I612-C616 PolarHBondContact O-N 2.85Å; I612-C616 VanDerWaalsContact O-N 3.15Å; I612-C616 PolarHBondContact O-SG 2.83Å; I612-A630 HydrophobicContact CG1-CB 4.33Å; I612-I631 HydrophobicContact CD1-CG1 3.68Å; I612-I631 HydrophobicContact CG1-CG1 4.21Å; I612-L634 HydrophobicContact CD1-CD2 4Å; I612-V763 HydrophobicContact CG2-CG2 3.69Å |
| 613 | G | 95 | Very high | 91.1 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I609 E610 A615 C616 S658 | I609-G613 PolarHBondContact O-N 2.99Å; E610-G613 PolarHBondContact O-N 3.46Å; G613-A615 VanDerWaalsContact C-N 3.26Å; G613-A615 PolarHBondContact O-N 3.13Å; G613-C616 PolarHBondContact O-N 3.08Å; G613-S658 WeakPolarHBondContact CA-OG 3.23Å |
| 614 | D | 93.6 | Very high | 91 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.7 | -29.4 | 171.3 | -85.1 | -23.9 | 0 | 0 | 0 | 112.4 | E610 I612 K617 S620 I622 | E610-D614 WeakPolarHBondContact O-CB 3.42Å; E610-D614 PolarHBondContact O-N 3.29Å; I612-D614 PolarHBondContact O-N 2.87Å; D614-K617 WeakPolarHBondContact OD1-CE 3.41Å; D614-K617 IonicContact OD1-NZ 3.74Å; D614-K617 PolarHBondContact OD1-NZ 3.26Å; D614-S620 WeakPolarHBondContact O-CB 3.21Å; D614-S620 PolarHBondContact O-OG 3.26Å; D614-I622 HydrophobicContact CB-CD1 3.83Å |
| 615 | A | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.1 | -35.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L611 I612 G613 K617 S620 I622 V627 R755 I759 | L611-A615 PolarHBondContact O-N 3.44Å; I612-A615 WeakPolarHBondContact O-CA 3.33Å; I612-A615 VanDerWaalsContact O-CB 3.31Å; I612-A615 WeakPolarHBondContact O-CB 3.5Å; I612-A615 PolarHBondContact O-N 2.95Å; G613-A615 VanDerWaalsContact C-N 3.26Å; G613-A615 PolarHBondContact O-N 3.13Å; A615-K617 VanDerWaalsContact C-N 3.29Å; A615-K617 PolarHBondContact O-N 3.44Å; A615-S620 WeakPolarHBondContact CA-OG 3.35Å; A615-I622 HydrophobicContact CB-CB 4.03Å; A615-I622 HydrophobicContact CB-CD1 4Å; A615-I622 HydrophobicContact CB-CG2 4.04Å; A615-V627 HydrophobicContact CB-CG2 3.39Å; A615-R755 PolarHBondContact O-NH1 3.39Å; A615-R755 PolarHBondContact O-NH2 3.37Å; A615-I759 HydrophobicContact CB-CD1 4.15Å; A615-I759 WeakPolarHBondContact O-CD1 3.28Å |
| 616 | C | 94.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -26.5 | 178.7 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | I612 G613 S658 E661 A662 V665 | I612-C616 PolarHBondContact O-N 2.85Å; I612-C616 VanDerWaalsContact O-N 3.15Å; I612-C616 PolarHBondContact O-SG 2.83Å; G613-C616 PolarHBondContact O-N 3.08Å; C616-S658 WeakPolarHBondContact CB-O 3.16Å; C616-S658 PolarHBondContact SG-O 2.73Å; C616-E661 HydrophobicContact CB-CB 4.26Å; C616-A662 HydrophobicContact CB-CB 3.87Å; C616-V665 WeakPolarHBondContact O-CG2 3.49Å |
| 617 | K | 92.3 | Very high | 90.6 | Very high | 101 Ų | 101 | 29.5 Ų | 29.5 | 44% | 0.439 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -63.7 | 146 | -177.7 | -67.6 | 170.7 | -169.8 | 170.9 | 0 | 113.1 | D614 A615 S620 | D614-K617 WeakPolarHBondContact OD1-CE 3.41Å; D614-K617 IonicContact OD1-NZ 3.74Å; D614-K617 PolarHBondContact OD1-NZ 3.26Å; A615-K617 VanDerWaalsContact C-N 3.29Å; A615-K617 PolarHBondContact O-N 3.44Å; K617-S620 WeakPolarHBondContact O-CB 3.39Å; K617-S620 PolarHBondContact O-N 3.02Å |
| 618 | A | 86.6 | Confident | 90.4 | Very high | 75 Ų | 75 | 29.1 Ų | 29.1 | 62% | 0.62 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 138.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S620 V665 | A618-S620 PolarHBondContact O-N 3.2Å; A618-V665 HydrophobicContact CB-CG1 4.43Å; A618-V665 HydrophobicContact CB-CG2 4.03Å |
| 619 | G | 82.8 | Confident | 90.2 | Very high | 61 Ų | 61 | 29.3 Ų | 29.3 | 63% | 0.629 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 4.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 620 | S | 87.8 | Confident | 90.1 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | trans | -60.3 | 136.5 | -176.6 | 176.1 | 0 | 0 | 0 | 0 | 114 | D614 A615 K617 A618 I622 R755 | D614-S620 WeakPolarHBondContact O-CB 3.21Å; D614-S620 PolarHBondContact O-OG 3.26Å; A615-S620 WeakPolarHBondContact CA-OG 3.35Å; K617-S620 WeakPolarHBondContact O-CB 3.39Å; K617-S620 PolarHBondContact O-N 3.02Å; A618-S620 PolarHBondContact O-N 3.2Å; S620-I622 VanDerWaalsContact C-N 3.3Å; S620-I622 PolarHBondContact O-N 3.44Å; S620-R755 VanDerWaalsContact O-CZ 3.28Å; S620-R755 PolarHBondContact O-NE 3.26Å; S620-R755 PolarHBondContact O-NH2 3.47Å; S620-R755 PolarHBondContact OG-NH2 3.26Å | ||
| 621 | R | 84.6 | Confident | 90 | Very high | 128 Ų | 128 | 25.7 Ų | 25.7 | 48% | 0.483 | 15% | 0.15 | S | C | . | . | trans | -92.8 | 30.7 | -175.4 | -65.6 | -177.2 | 169.5 | -170.4 | -12.6 | 113.6 | S557 G558 L745 | S557-R621 PolarHBondContact O-NH1 3.19Å; G558-R621 WeakPolarHBondContact O-CD 3.47Å; R621-L745 HydrophobicContact CB-CD1 4.37Å; R621-L745 WeakPolarHBondContact O-CD2 3.29Å | ||
| 622 | I | 88.7 | Confident | 89.8 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | trans | -106.9 | 123.9 | -179.1 | -54.2 | 176.4 | 0 | 0 | 0 | 109.2 | I555 D560 L611 D614 A615 S620 T626 V627 R755 | I555-I622 HydrophobicContact CB-CD1 4.48Å; I555-I622 HydrophobicContact CD1-CD1 3.71Å; I555-I622 HydrophobicContact CD1-CG1 3.63Å; I555-I622 HydrophobicContact CD1-CG2 4.49Å; I555-I622 HydrophobicContact CG2-CG1 4.33Å; D560-I622 HydrophobicContact CB-CB 4.48Å; D560-I622 HydrophobicContact CB-CG1 4.42Å; D560-I622 HydrophobicContact CB-CG2 4.29Å; L611-I622 HydrophobicContact CD1-CD1 3.84Å; D614-I622 HydrophobicContact CB-CD1 3.83Å; A615-I622 HydrophobicContact CB-CB 4.03Å; A615-I622 HydrophobicContact CB-CD1 4Å; A615-I622 HydrophobicContact CB-CG2 4.04Å; S620-I622 VanDerWaalsContact C-N 3.3Å; S620-I622 PolarHBondContact O-N 3.44Å; I622-T626 HydrophobicContact CG2-CG2 4.14Å; I622-V627 HydrophobicContact CG2-CG2 3.89Å; I622-R755 VanDerWaalsContact O-CZ 3.27Å; I622-R755 PolarHBondContact O-NE 3.16Å; I622-R755 PolarHBondContact O-NH2 3.28Å | ||
| 623 | R | 87 | Confident | 89.6 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | trans | -74.2 | 151.3 | 179.6 | -67.6 | 171.1 | -74.6 | 168.5 | 3.2 | 110.8 | D560 I625 T626 V627 Y743 L745 | D560-R623 IonicContact OD1-CZ 3.62Å; D560-R623 IonicContact OD1-NE 2.68Å; D560-R623 PolarHBondContact OD1-NE 3.3Å; D560-R623 IonicContact OD1-NH2 3.44Å; D560-R623 PolarHBondContact OD1-NH2 3.34Å; D560-R623 WeakPolarHBondContact OD2-CB 3.23Å; D560-R623 PolarHBondContact OD2-N 2.87Å; D560-R623 IonicContact OD2-NE 3.74Å; D560-R623 PolarHBondContact OD2-NE 2.89Å; D560-R623 IonicContact OD2-NH2 2.78Å; R623-I625 HydrophobicContact CB-CG2 4.03Å; R623-I625 PolarHBondContact O-N 3.34Å; R623-T626 WeakPolarHBondContact O-CB 3.22Å; R623-T626 PolarHBondContact O-N 2.93Å; R623-V627 PolarHBondContact O-N 3.02Å; R623-Y743 WeakPolarHBondContact CD-O 3.29Å; R623-Y743 PolarHBondContact NH1-O 2.72Å; R623-L745 HydrophobicContact CG-CD2 3.75Å; R623-L745 HydrophobicContact CG-CG 4.19Å | ||
| 624 | L | 86.3 | Confident | 89.5 | Confident | 33 Ų | 33 | 27 Ų | 27 | 17% | 0.173 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -32.2 | -177.9 | -169.8 | 68.4 | 0 | 0 | 0 | 112.4 | V627 R628 I759 L762 | L624-V627 PolarHBondContact O-N 3.22Å; L624-R628 WeakPolarHBondContact O-CB 3.46Å; L624-R628 PolarHBondContact O-N 3.22Å; L624-I759 HydrophobicContact CD1-CG1 3.76Å; L624-L762 HydrophobicContact CD1-CD1 3.52Å; L624-L762 HydrophobicContact CD1-CG 4.36Å; L624-L762 HydrophobicContact CG-CD1 4.08Å |
| 625 | I | 85 | Confident | 89.4 | Confident | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.051 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.1 | -169.2 | 58.2 | 0 | 0 | 0 | 112.7 | L564 R623 V627 R628 M629 L691 L697 I742 | L564-I625 HydrophobicContact CD1-CG2 4.44Å; L564-I625 HydrophobicContact CD2-CG2 4.19Å; R623-I625 HydrophobicContact CB-CG2 4.03Å; R623-I625 PolarHBondContact O-N 3.34Å; I625-V627 VanDerWaalsContact C-N 3.34Å; I625-V627 PolarHBondContact O-N 2.94Å; I625-R628 PolarHBondContact O-N 3.19Å; I625-M629 HydrophobicContact CD1-CG 4.39Å; I625-M629 HydrophobicContact CG1-CG 4.5Å; I625-M629 WeakPolarHBondContact O-CB 3.47Å; I625-M629 WeakPolarHBondContact O-CG 3.33Å; I625-M629 PolarHBondContact O-N 2.97Å; I625-L691 HydrophobicContact CD1-CD1 3.73Å; I625-L697 HydrophobicContact CD1-CD1 4.4Å; I625-L697 HydrophobicContact CD1-CD2 3.92Å; I625-L697 HydrophobicContact CG1-CD1 4.21Å; I625-L697 HydrophobicContact CG1-CD2 3.98Å; I625-I742 HydrophobicContact CB-CG2 3.74Å; I625-I742 HydrophobicContact CD1-CG2 4.07Å; I625-I742 HydrophobicContact CG1-CG2 3.72Å; I625-I742 HydrophobicContact CG2-CG2 4.08Å; I625-I742 VanDerWaalsContact CG2-O 3.27Å; I625-I742 WeakPolarHBondContact CG2-O 3.22Å |
| 626 | T | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 179.8 | -48.2 | 0 | 0 | 0 | 0 | 110.5 | D560 L564 I567 I622 R623 A630 | D560-T626 HydrophobicContact CB-CG2 4.31Å; D560-T626 WeakPolarHBondContact OD2-CB 3.41Å; D560-T626 PolarHBondContact OD2-OG1 3.02Å; L564-T626 HydrophobicContact CB-CG2 4.05Å; L564-T626 HydrophobicContact CD1-CG2 4.48Å; I567-T626 HydrophobicContact CD1-CG2 3.98Å; I622-T626 HydrophobicContact CG2-CG2 4.14Å; R623-T626 WeakPolarHBondContact O-CB 3.22Å; R623-T626 PolarHBondContact O-N 2.93Å; T626-A630 VanDerWaalsContact O-CB 3.25Å; T626-A630 WeakPolarHBondContact O-CB 3.19Å; T626-A630 PolarHBondContact O-N 2.83Å |
| 627 | V | 91.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 173 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | A615 I622 R623 L624 I625 M629 A630 I631 I759 L762 | A615-V627 HydrophobicContact CB-CG2 3.39Å; I622-V627 HydrophobicContact CG2-CG2 3.89Å; R623-V627 PolarHBondContact O-N 3.02Å; L624-V627 PolarHBondContact O-N 3.22Å; I625-V627 VanDerWaalsContact C-N 3.34Å; I625-V627 PolarHBondContact O-N 2.94Å; V627-M629 PolarHBondContact O-N 2.7Å; V627-A630 PolarHBondContact O-N 3.05Å; V627-I631 HydrophobicContact CG1-CD1 3.84Å; V627-I631 HydrophobicContact CG1-CG1 4.44Å; V627-I631 WeakPolarHBondContact O-CB 3.41Å; V627-I631 WeakPolarHBondContact O-CG1 3.46Å; V627-I631 PolarHBondContact O-N 3.3Å; V627-I759 HydrophobicContact CG2-CD1 4.3Å; V627-I759 HydrophobicContact CG2-CG1 4.32Å; V627-L762 HydrophobicContact CB-CD1 4.3Å; V627-L762 HydrophobicContact CG1-CD1 4.15Å |
| 628 | R | 88.5 | Confident | 88.8 | Confident | 26 Ų | 26 | 21.7 Ų | 21.7 | 10% | 0.098 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.4 | -35.2 | -179.1 | -166.2 | 164.4 | 168.3 | 104.3 | -18.9 | 112.4 | L624 I625 R632 I687 S689 L691 L762 F805 | L624-R628 WeakPolarHBondContact O-CB 3.46Å; L624-R628 PolarHBondContact O-N 3.22Å; I625-R628 PolarHBondContact O-N 3.19Å; R628-R632 PolarHBondContact O-N 3.01Å; R628-R632 VanDerWaalsContact O-N 3.12Å; R628-I687 PolarHBondContact NH1-O 3.15Å; R628-I687 VanDerWaalsContact NH1-O 3.08Å; R628-I687 PolarHBondContact NH2-O 2.96Å; R628-S689 PolarHBondContact NH2-O 3.04Å; R628-L691 HydrophobicContact CG-CD1 4.12Å; R628-L762 HydrophobicContact CB-CD1 3.95Å; R628-L762 HydrophobicContact CB-CD2 4.41Å; R628-L762 HydrophobicContact CG-CD1 4.49Å; R628-L762 HydrophobicContact CG-CD2 4.05Å; R628-F805 VanDerWaalsContact NH1-CD2 3.29Å |
| 629 | M | 88.9 | Confident | 88.8 | Confident | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.02 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -73.1 | -38.4 | 171.6 | -70.3 | -54.8 | -58 | 0 | 0 | 112.7 | I567 L568 F571 I625 V627 R632 L633 L691 L694 L697 | I567-M629 HydrophobicContact CG2-CB 3.76Å; L568-M629 HydrophobicContact CD2-CE 4Å; L568-M629 HydrophobicContact CD2-CG 4.33Å; F571-M629 HydrophobicContact CB-CE 4.5Å; F571-M629 HydrophobicContact CD1-CE 3.94Å; F571-M629 HydrophobicContact CE1-CE 4.4Å; F571-M629 HydrophobicContact CG-CE 4.04Å; I625-M629 HydrophobicContact CD1-CG 4.39Å; I625-M629 HydrophobicContact CG1-CG 4.5Å; I625-M629 WeakPolarHBondContact O-CB 3.47Å; I625-M629 WeakPolarHBondContact O-CG 3.33Å; I625-M629 PolarHBondContact O-N 2.97Å; V627-M629 PolarHBondContact O-N 2.7Å; M629-R632 PolarHBondContact O-N 2.93Å; M629-L633 PolarHBondContact O-N 2.9Å; M629-L691 HydrophobicContact SD-CD2 3.63Å; M629-L694 HydrophobicContact CE-CD1 4.05Å; M629-L697 HydrophobicContact CG-CD2 4.31Å; M629-L697 HydrophobicContact SD-CD2 4.31Å |
| 630 | A | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I567 L608 L611 I612 T626 V627 R632 L633 L634 | I567-A630 HydrophobicContact CD1-CB 3.92Å; L608-A630 HydrophobicContact CD2-CB 4.18Å; L611-A630 HydrophobicContact CD2-CB 3.84Å; I612-A630 HydrophobicContact CG1-CB 4.33Å; T626-A630 VanDerWaalsContact O-CB 3.25Å; T626-A630 WeakPolarHBondContact O-CB 3.19Å; T626-A630 PolarHBondContact O-N 2.83Å; V627-A630 PolarHBondContact O-N 3.05Å; A630-R632 VanDerWaalsContact C-N 3.31Å; A630-R632 PolarHBondContact O-N 3.02Å; A630-L633 PolarHBondContact O-N 3.21Å; A630-L634 WeakPolarHBondContact O-CB 3.4Å; A630-L634 PolarHBondContact O-N 2.87Å |
| 631 | I | 92.6 | Very high | 88.3 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.2 | -71.1 | 171.1 | 0 | 0 | 0 | 111.2 | I612 V627 T635 L762 V763 W766 F805 | I612-I631 HydrophobicContact CD1-CG1 3.68Å; I612-I631 HydrophobicContact CG1-CG1 4.21Å; V627-I631 HydrophobicContact CG1-CD1 3.84Å; V627-I631 HydrophobicContact CG1-CG1 4.44Å; V627-I631 WeakPolarHBondContact O-CB 3.41Å; V627-I631 WeakPolarHBondContact O-CG1 3.46Å; V627-I631 PolarHBondContact O-N 3.3Å; I631-T635 WeakPolarHBondContact O-CB 3.46Å; I631-T635 PolarHBondContact O-N 2.86Å; I631-T635 PolarHBondContact O-OG1 3.37Å; I631-L762 HydrophobicContact CD1-CB 3.86Å; I631-V763 HydrophobicContact CD1-CG2 4.36Å; I631-W766 HydrophobicContact CG2-CB 4.04Å; I631-W766 HydrophobicContact CG2-CD2 4.37Å; I631-W766 HydrophobicContact CG2-CG 3.61Å; I631-F805 HydrophobicContact CG2-CZ 4.14Å |
| 632 | R | 89.7 | Confident | 88 | Confident | 46 Ų | 46 | 20.1 Ų | 20.1 | 17% | 0.174 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.8 | -52.1 | 175.3 | -170.1 | -175.4 | 179.6 | 102 | -12 | 112 | F571 R628 M629 A630 L634 T635 D636 P801 N802 | F571-R632 HydrophobicContact CE2-CG 3.9Å; F571-R632 HydrophobicContact CZ-CG 4.47Å; R628-R632 PolarHBondContact O-N 3.01Å; R628-R632 VanDerWaalsContact O-N 3.12Å; M629-R632 PolarHBondContact O-N 2.93Å; A630-R632 VanDerWaalsContact C-N 3.31Å; A630-R632 PolarHBondContact O-N 3.02Å; R632-L634 VanDerWaalsContact C-N 3.25Å; R632-L634 PolarHBondContact O-N 3.33Å; R632-T635 WeakPolarHBondContact O-CB 3.31Å; R632-T635 PolarHBondContact O-N 3.37Å; R632-D636 PolarHBondContact O-N 3.41Å; R632-P801 HydrophobicContact CG-CB 4.45Å; R632-P801 VanDerWaalsContact NH1-C 3.28Å; R632-P801 PolarHBondContact NH1-O 3.13Å; R632-N802 PolarHBondContact NH1-OD1 3.24Å; R632-N802 PolarHBondContact NH2-OD1 2.8Å |
| 633 | L | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -38.5 | 177.9 | 179.7 | 60.2 | 0 | 0 | 0 | 111.5 | I567 L570 F571 L608 M629 A630 D636 L637 | I567-L633 HydrophobicContact CG2-CB 4.18Å; I567-L633 HydrophobicContact CG2-CD2 4Å; L570-L633 HydrophobicContact CB-CD2 3.8Å; L570-L633 HydrophobicContact CD1-CD2 4.22Å; F571-L633 HydrophobicContact CB-CD1 4.33Å; F571-L633 HydrophobicContact CD2-CB 4.44Å; F571-L633 HydrophobicContact CD2-CD1 4.31Å; L608-L633 HydrophobicContact CD1-CD2 4.24Å; L608-L633 HydrophobicContact CD1-CG 4.11Å; L608-L633 HydrophobicContact CD2-CD2 4.35Å; M629-L633 PolarHBondContact O-N 2.9Å; A630-L633 PolarHBondContact O-N 3.21Å; L633-D636 PolarHBondContact O-N 3.03Å; L633-L637 HydrophobicContact CD1-CD1 4.11Å; L633-L637 HydrophobicContact CD1-CG 4.33Å; L633-L637 HydrophobicContact CG-CD1 4.01Å; L633-L637 WeakPolarHBondContact O-CB 3.27Å; L633-L637 WeakPolarHBondContact O-CD1 3.42Å; L633-L637 WeakPolarHBondContact O-CG 3.38Å; L633-L637 PolarHBondContact O-N 2.93Å |
| 634 | L | 93.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 172.1 | 176.3 | 62.4 | 0 | 0 | 0 | 111.7 | V605 L608 I609 I612 A630 R632 D636 L637 V638 L647 I655 W766 | V605-L634 HydrophobicContact CB-CD1 4.4Å; V605-L634 HydrophobicContact CG1-CD1 3.69Å; V605-L634 HydrophobicContact CG2-CD1 4.14Å; L608-L634 HydrophobicContact CD1-CB 4.3Å; I609-L634 HydrophobicContact CG1-CD2 4.36Å; I612-L634 HydrophobicContact CD1-CD2 4Å; A630-L634 WeakPolarHBondContact O-CB 3.4Å; A630-L634 PolarHBondContact O-N 2.87Å; R632-L634 VanDerWaalsContact C-N 3.25Å; R632-L634 PolarHBondContact O-N 3.33Å; L634-D636 PolarHBondContact O-N 2.88Å; L634-L637 PolarHBondContact O-N 2.88Å; L634-V638 HydrophobicContact CD1-CG1 3.96Å; L634-V638 HydrophobicContact CD1-CG2 4.48Å; L634-V638 WeakPolarHBondContact O-CG2 3.43Å; L634-V638 PolarHBondContact O-N 3.16Å; L634-V638 VanDerWaalsContact O-N 3.13Å; L634-L647 HydrophobicContact CD1-CD1 4.44Å; L634-I655 HydrophobicContact CD2-CD1 3.91Å; L634-W766 HydrophobicContact CD2-CH2 3.81Å; L634-W766 HydrophobicContact CD2-CZ2 3.75Å; L634-W766 HydrophobicContact CG-CH2 4.26Å; L634-W766 HydrophobicContact CG-CZ2 3.88Å |
| 635 | T | 91.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 20 Ų | 20 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.9 | -53.3 | 177.5 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | I631 R632 L637 V638 Y639 W766 M770 L804 | I631-T635 WeakPolarHBondContact O-CB 3.46Å; I631-T635 PolarHBondContact O-N 2.86Å; I631-T635 PolarHBondContact O-OG1 3.37Å; R632-T635 WeakPolarHBondContact O-CB 3.31Å; R632-T635 PolarHBondContact O-N 3.37Å; T635-L637 PolarHBondContact O-N 3.41Å; T635-L637 VanDerWaalsContact O-N 3.09Å; T635-V638 PolarHBondContact O-N 3.45Å; T635-V638 VanDerWaalsContact O-N 3.16Å; T635-Y639 HydrophobicContact CG2-CD1 4.48Å; T635-Y639 WeakPolarHBondContact O-CB 3.41Å; T635-Y639 PolarHBondContact O-N 3.14Å; T635-W766 PolarHBondContact OG1-NE1 3.4Å; T635-M770 HydrophobicContact CG2-CE 3.88Å; T635-L804 HydrophobicContact CG2-CD1 4.03Å |
| 636 | D | 88 | Confident | 87.1 | Confident | 33 Ų | 33 | 20.2 Ų | 20.2 | 18% | 0.176 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.4 | -8.9 | -176.1 | -60.2 | 15.9 | 0 | 0 | 0 | 112.9 | F571 K574 R632 L633 L634 P801 | F571-D636 WeakPolarHBondContact CE2-OD2 3.47Å; K574-D636 HydrophobicContact CD-CB 4.27Å; K574-D636 WeakPolarHBondContact CE-O 3.33Å; K574-D636 PolarHBondContact NZ-O 2.87Å; R632-D636 PolarHBondContact O-N 3.41Å; L633-D636 PolarHBondContact O-N 3.03Å; L634-D636 PolarHBondContact O-N 2.88Å; D636-P801 WeakPolarHBondContact OD1-CB 3.29Å; D636-P801 WeakPolarHBondContact OD1-CG 3.34Å |
| 637 | L | 88.9 | Confident | 87 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -98.2 | -24.6 | 174 | -72.6 | 170.5 | 0 | 0 | 0 | 114.1 | L589 Y600 L604 L608 L633 L634 T635 | L589-L637 HydrophobicContact CD2-CD2 3.96Å; Y600-L637 WeakPolarHBondContact CB-O 3.23Å; L604-L637 HydrophobicContact CD2-CD1 3.65Å; L604-L637 HydrophobicContact CG-CD1 4.08Å; L608-L637 HydrophobicContact CD1-CD1 4.05Å; L633-L637 HydrophobicContact CD1-CD1 4.11Å; L633-L637 HydrophobicContact CD1-CG 4.33Å; L633-L637 HydrophobicContact CG-CD1 4.01Å; L633-L637 WeakPolarHBondContact O-CB 3.27Å; L633-L637 WeakPolarHBondContact O-CD1 3.42Å; L633-L637 WeakPolarHBondContact O-CG 3.38Å; L633-L637 PolarHBondContact O-N 2.93Å; L634-L637 PolarHBondContact O-N 2.88Å; T635-L637 PolarHBondContact O-N 3.41Å; T635-L637 VanDerWaalsContact O-N 3.09Å |
| 638 | V | 89.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -122.9 | -9.1 | -171.9 | -48.2 | 0 | 0 | 0 | 0 | 114.7 | Y600 V605 L634 T635 C645 Q646 L647 W766 | Y600-V638 HydrophobicContact CD1-CG1 4.05Å; Y600-V638 HydrophobicContact CD2-CG1 4.49Å; Y600-V638 HydrophobicContact CE1-CG1 4.3Å; Y600-V638 HydrophobicContact CG-CG1 4.15Å; V605-V638 HydrophobicContact CG1-CG1 4.41Å; V605-V638 HydrophobicContact CG2-CG1 3.91Å; L634-V638 HydrophobicContact CD1-CG1 3.96Å; L634-V638 HydrophobicContact CD1-CG2 4.48Å; L634-V638 WeakPolarHBondContact O-CG2 3.43Å; L634-V638 PolarHBondContact O-N 3.16Å; L634-V638 VanDerWaalsContact O-N 3.13Å; T635-V638 PolarHBondContact O-N 3.45Å; T635-V638 VanDerWaalsContact O-N 3.16Å; V638-C645 WeakPolarHBondContact O-CA 3.28Å; V638-Q646 PolarHBondContact O-N 2.94Å; V638-L647 HydrophobicContact CB-CB 4.41Å; V638-L647 HydrophobicContact CB-CD1 4.25Å; V638-L647 HydrophobicContact CG1-CD1 3.85Å; V638-L647 HydrophobicContact CG2-CB 4.34Å; V638-L647 HydrophobicContact CG2-CD1 4.26Å; V638-W766 HydrophobicContact CG2-CZ2 4.44Å |
| 639 | Y | 87.2 | Confident | 86.9 | Confident | 34 Ų | 34 | 25.9 Ų | 25.9 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.3 | 178.2 | 175.3 | -103.5 | 0 | 0 | 0 | 112.7 | T635 G644 C645 M770 L773 I799 | T635-Y639 HydrophobicContact CG2-CD1 4.48Å; T635-Y639 WeakPolarHBondContact O-CB 3.41Å; T635-Y639 PolarHBondContact O-N 3.14Å; Y639-G644 WeakPolarHBondContact CA-O 3.43Å; Y639-G644 VanDerWaalsContact CD2-O 3.29Å; Y639-G644 WeakPolarHBondContact CD2-O 3.21Å; Y639-C645 HydrophobicContact CD2-CB 4.37Å; Y639-M770 HydrophobicContact CG-CE 4.33Å; Y639-L773 HydrophobicContact CD2-CD1 4.2Å; Y639-L773 HydrophobicContact CE2-CB 4.47Å; Y639-L773 HydrophobicContact CE2-CD1 3.8Å; Y639-L773 HydrophobicContact CE2-CD2 4.3Å; Y639-L773 HydrophobicContact CE2-CG 4.41Å; Y639-I799 HydrophobicContact CE1-CB 4.43Å |
| 640 | S | 82.6 | Confident | 87.1 | Confident | 38 Ų | 38 | 31.8 Ų | 31.8 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.9 | 163.2 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | S642 G644 | S640-S642 PolarHBondContact O-N 3.18Å; S640-S642 PolarHBondContact OG-N 3.31Å; S640-S642 PolarHBondContact OG-OG 3.09Å; S640-G644 PolarHBondContact N-O 3.36Å; S640-G644 WeakPolarHBondContact O-CA 3.48Å; S640-G644 PolarHBondContact O-N 3.25Å |
| 641 | V | 77.9 | Confident | 87.1 | Confident | 99 Ų | 99 | 32.3 Ų | 32.3 | 60% | 0.6 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.8 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 642 | S | 78.3 | Confident | 87.1 | Confident | 82 Ų | 82 | 32.6 Ų | 32.6 | 57% | 0.573 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -28.1 | -176.1 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | S640 | S640-S642 PolarHBondContact O-N 3.18Å; S640-S642 PolarHBondContact OG-N 3.31Å; S640-S642 PolarHBondContact OG-OG 3.09Å |
| 643 | C | 75 | Confident | 87.3 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 2.3 | -176 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | I594 Q646 | I594-C643 HydrophobicContact CG1-CB 4.36Å; C643-Q646 HydrophobicContact CB-CG 4.46Å |
| 644 | G | 81.4 | Confident | 87.5 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73 | -145 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y639 S640 | Y639-G644 WeakPolarHBondContact CA-O 3.43Å; Y639-G644 VanDerWaalsContact CD2-O 3.29Å; Y639-G644 WeakPolarHBondContact CD2-O 3.21Å; S640-G644 PolarHBondContact N-O 3.36Å; S640-G644 WeakPolarHBondContact O-CA 3.48Å; S640-G644 PolarHBondContact O-N 3.25Å |
| 645 | C | 85.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 104.3 | 179.6 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | V638 Y639 L647 M770 | V638-C645 WeakPolarHBondContact O-CA 3.28Å; Y639-C645 HydrophobicContact CD2-CB 4.37Å; C645-L647 PolarHBondContact O-N 3.31Å; C645-M770 HydrophobicContact CB-SD 3.94Å; C645-M770 VanDerWaalsContact SG-SD 3.62Å |
| 646 | Q | 84.8 | Confident | 87.8 | Confident | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | trans | -82.8 | 9.9 | -176.4 | -66.5 | -167.2 | -36.9 | 0 | 0 | 113.8 | P592 D593 E597 S599 Y600 V638 C643 S648 | P592-Q646 HydrophobicContact CB-CB 4.42Å; P592-Q646 HydrophobicContact CB-CG 4.11Å; D593-Q646 PolarHBondContact O-NE2 2.69Å; D593-Q646 PolarHBondContact O-OE1 2.89Å; E597-Q646 WeakPolarHBondContact OE1-CG 3.45Å; E597-Q646 PolarHBondContact OE1-NE2 2.9Å; E597-Q646 VanDerWaalsContact OE1-NE2 3.15Å; S599-Q646 PolarHBondContact OG-OE1 3.16Å; Y600-Q646 WeakPolarHBondContact CE1-O 3.23Å; V638-Q646 PolarHBondContact O-N 2.94Å; C643-Q646 HydrophobicContact CB-CG 4.46Å; Q646-S648 PolarHBondContact O-N 3.33Å | ||
| 647 | L | 88.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -59.5 | 129.1 | -176.4 | -169.8 | 80.9 | 0 | 0 | 0 | 111.3 | V605 I609 L634 V638 C645 H651 F652 I655 W766 K774 | V605-L647 HydrophobicContact CG1-CD1 3.79Å; I609-L647 HydrophobicContact CD1-CD1 4.39Å; L634-L647 HydrophobicContact CD1-CD1 4.44Å; V638-L647 HydrophobicContact CB-CB 4.41Å; V638-L647 HydrophobicContact CB-CD1 4.25Å; V638-L647 HydrophobicContact CG1-CD1 3.85Å; V638-L647 HydrophobicContact CG2-CB 4.34Å; V638-L647 HydrophobicContact CG2-CD1 4.26Å; C645-L647 PolarHBondContact O-N 3.31Å; L647-H651 HydrophobicContact CD1-CB 3.69Å; L647-H651 HydrophobicContact CD2-CB 4.08Å; L647-H651 HydrophobicContact CG-CB 3.69Å; L647-F652 HydrophobicContact CB-CD2 3.98Å; L647-F652 HydrophobicContact CB-CE2 3.64Å; L647-F652 HydrophobicContact CB-CZ 4.32Å; L647-F652 HydrophobicContact CD2-CD1 4.28Å; L647-F652 HydrophobicContact CD2-CD2 3.84Å; L647-F652 HydrophobicContact CD2-CE1 4.46Å; L647-F652 HydrophobicContact CD2-CE2 4.03Å; L647-F652 HydrophobicContact CD2-CG 3.97Å; L647-F652 HydrophobicContact CD2-CZ 4.34Å; L647-F652 HydrophobicContact CG-CD2 4.13Å; L647-F652 HydrophobicContact CG-CE2 4.25Å; L647-F652 VanDerWaalsContact O-CD2 3.27Å; L647-F652 WeakPolarHBondContact O-CD2 3.49Å; L647-F652 VanDerWaalsContact O-CE2 3.28Å; L647-F652 WeakPolarHBondContact O-CE2 3.23Å; L647-I655 HydrophobicContact CD2-CD1 3.82Å; L647-W766 HydrophobicContact CD2-CH2 4.19Å; L647-K774 PolarHBondContact O-NZ 2.85Å | ||
| 648 | S | 89 | Confident | 88.5 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | trans | -63.1 | 152.6 | -179.9 | 77.1 | 0 | 0 | 0 | 0 | 112.2 | Y600 Q646 Q650 H651 F652 | Y600-S648 WeakPolarHBondContact OH-CB 3.27Å; Y600-S648 PolarHBondContact OH-N 3.13Å; Y600-S648 PolarHBondContact OH-OG 3.2Å; Q646-S648 PolarHBondContact O-N 3.33Å; S648-Q650 VanDerWaalsContact C-N 3.27Å; S648-Q650 PolarHBondContact O-N 3.09Å; S648-H651 WeakPolarHBondContact O-CA 3.31Å; S648-H651 WeakPolarHBondContact O-CB 3.47Å; S648-H651 PolarHBondContact O-N 3.5Å; S648-H651 WeakPolarHBondContact OG-CB 3.46Å; S648-H651 PolarHBondContact OG-N 3.07Å; S648-H651 PolarHBondContact OG-ND1 3.21Å; S648-F652 PolarHBondContact O-N 2.85Å | ||
| 649 | D | 89.5 | Confident | 88.8 | Confident | 117 Ų | 117 | 42 Ų | 42 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.2 | -27.7 | -175.9 | -63 | -26.5 | 0 | 0 | 0 | 112.7 | F652 A653 K774 | D649-F652 PolarHBondContact O-N 3.34Å; D649-A653 WeakPolarHBondContact O-CB 3.31Å; D649-A653 PolarHBondContact O-N 3.36Å; D649-K774 IonicContact OD1-NZ 2.75Å; D649-K774 PolarHBondContact OD1-NZ 3.25Å |
| 650 | Q | 91.7 | Very high | 89.2 | Confident | 128 Ų | 128 | 43 Ų | 43 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.4 | -39.5 | 169.8 | -177.2 | 171.9 | 5.1 | 0 | 0 | 111.8 | Y602 S648 G654 | Y602-Q650 VanDerWaalsContact OH-CD 3.32Å; Y602-Q650 PolarHBondContact OH-OE1 3.49Å; S648-Q650 VanDerWaalsContact C-N 3.27Å; S648-Q650 PolarHBondContact O-N 3.09Å; Q650-G654 PolarHBondContact O-N 2.8Å; Q650-G654 VanDerWaalsContact O-N 3.09Å |
| 651 | H | 94.2 | Very high | 89.8 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.046 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.2 | -37.7 | 175.5 | -74.2 | 165.8 | 0 | 0 | 0 | 112.4 | Y600 Y602 V605 T606 I609 L647 S648 A653 G654 I655 | Y600-H651 AromaticContact CE2-CE1 3.33Å; Y600-H651 WeakPolarHBondContact CE2-CE1 3Å; Y600-H651 AromaticContact CE2-ND1 3.62Å; Y600-H651 AromaticContact CZ-ND1 3.65Å; Y600-H651 PolarHBondContact OH-ND1 3.17Å; Y602-H651 WeakPolarHBondContact CA-CE1 3.43Å; Y602-H651 AromaticContact CD1-CE1 3.72Å; Y602-H651 AromaticContact CD1-NE2 3.86Å; Y602-H651 AromaticContact CD2-CE1 2.81Å; Y602-H651 WeakPolarHBondContact CD2-CE1 3.38Å; Y602-H651 AromaticContact CE1-CE1 3.92Å; Y602-H651 AromaticContact CE1-NE2 3.3Å; Y602-H651 VanDerWaalsContact CE1-NE2 3.3Å; Y602-H651 WeakPolarHBondContact CE1-NE2 3.41Å; Y602-H651 AromaticContact CE2-CE1 3.06Å; Y602-H651 WeakPolarHBondContact CE2-CE1 3.47Å; Y602-H651 AromaticContact CE2-ND1 3.88Å; Y602-H651 AromaticContact CE2-NE2 3.54Å; Y602-H651 AromaticContact CG-CE1 3.16Å; Y602-H651 AromaticContact CZ-CE1 3.61Å; Y602-H651 AromaticContact CZ-NE2 3.1Å; Y602-H651 PolarHBondContact O-CE1 3.31Å; Y602-H651 PolarHBondContact OH-NE2 3.42Å; V605-H651 WeakPolarHBondContact CG1-ND1 3.41Å; T606-H651 WeakPolarHBondContact CA-NE2 3.42Å; T606-H651 WeakPolarHBondContact CB-NE2 3.29Å; T606-H651 PolarHBondContact OG1-CE1 2.95Å; T606-H651 PolarHBondContact OG1-NE2 2.94Å; I609-H651 HydrophobicContact CD1-CB 3.53Å; L647-H651 HydrophobicContact CD1-CB 3.69Å; L647-H651 HydrophobicContact CD2-CB 4.08Å; L647-H651 HydrophobicContact CG-CB 3.69Å; S648-H651 WeakPolarHBondContact O-CA 3.31Å; S648-H651 WeakPolarHBondContact O-CB 3.47Å; S648-H651 PolarHBondContact O-N 3.5Å; S648-H651 WeakPolarHBondContact OG-CB 3.46Å; S648-H651 PolarHBondContact OG-N 3.07Å; S648-H651 PolarHBondContact OG-ND1 3.21Å; H651-A653 PolarHBondContact O-N 3.17Å; H651-G654 PolarHBondContact O-N 2.85Å; H651-I655 WeakPolarHBondContact O-CG1 3.5Å; H651-I655 PolarHBondContact O-N 3.23Å; H651-I655 VanDerWaalsContact O-N 3.08Å |
| 652 | F | 93 | Very high | 90.7 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 4% | 0.044 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 168.7 | -94.3 | -74.7 | 0 | 0 | 0 | 111.6 | L647 S648 D649 G654 I655 I656 L767 M770 L771 K774 | L647-F652 HydrophobicContact CB-CD2 3.98Å; L647-F652 HydrophobicContact CB-CE2 3.64Å; L647-F652 HydrophobicContact CB-CZ 4.32Å; L647-F652 HydrophobicContact CD2-CD1 4.28Å; L647-F652 HydrophobicContact CD2-CD2 3.84Å; L647-F652 HydrophobicContact CD2-CE1 4.46Å; L647-F652 HydrophobicContact CD2-CE2 4.03Å; L647-F652 HydrophobicContact CD2-CG 3.97Å; L647-F652 HydrophobicContact CD2-CZ 4.34Å; L647-F652 HydrophobicContact CG-CD2 4.13Å; L647-F652 HydrophobicContact CG-CE2 4.25Å; L647-F652 VanDerWaalsContact O-CD2 3.27Å; L647-F652 WeakPolarHBondContact O-CD2 3.49Å; L647-F652 VanDerWaalsContact O-CE2 3.28Å; L647-F652 WeakPolarHBondContact O-CE2 3.23Å; S648-F652 PolarHBondContact O-N 2.85Å; D649-F652 PolarHBondContact O-N 3.34Å; F652-G654 VanDerWaalsContact C-N 3.3Å; F652-G654 PolarHBondContact O-N 3.28Å; F652-I655 PolarHBondContact O-N 3.04Å; F652-I655 VanDerWaalsContact O-N 3.17Å; F652-I656 VanDerWaalsContact O-CG1 3.29Å; F652-I656 WeakPolarHBondContact O-CG1 3.44Å; F652-I656 PolarHBondContact O-N 3.47Å; F652-L767 HydrophobicContact CD1-CD1 4.05Å; F652-L767 HydrophobicContact CE1-CD1 4.23Å; F652-M770 HydrophobicContact CE1-CB 4.38Å; F652-M770 HydrophobicContact CZ-CB 4.47Å; F652-L771 HydrophobicContact CD1-CD2 4.16Å; F652-L771 HydrophobicContact CE1-CD2 3.86Å; F652-L771 HydrophobicContact CE1-CG 4.35Å; F652-K774 HydrophobicContact CD2-CD 4.39Å; F652-K774 HydrophobicContact CE2-CD 3.48Å; F652-K774 VanDerWaalsContact CE2-CD 3.48Å; F652-K774 VanDerWaalsContact CE2-NZ 3.32Å; F652-K774 HydrophobicContact CZ-CD 3.73Å |
| 653 | A | 93.9 | Very high | 91.6 | Very high | 43 Ų | 43 | 37.5 Ų | 37.5 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D649 H651 I655 I656 N657 | D649-A653 WeakPolarHBondContact O-CB 3.31Å; D649-A653 PolarHBondContact O-N 3.36Å; H651-A653 PolarHBondContact O-N 3.17Å; A653-I655 PolarHBondContact O-N 3.15Å; A653-I656 PolarHBondContact O-N 3.3Å; A653-N657 WeakPolarHBondContact O-CB 3.48Å; A653-N657 PolarHBondContact O-N 3.43Å; A653-N657 PolarHBondContact O-ND2 3.39Å |
| 654 | G | 94.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q650 H651 F652 S658 | Q650-G654 PolarHBondContact O-N 2.8Å; Q650-G654 VanDerWaalsContact O-N 3.09Å; H651-G654 PolarHBondContact O-N 2.85Å; F652-G654 VanDerWaalsContact C-N 3.3Å; F652-G654 PolarHBondContact O-N 3.28Å; G654-S658 WeakPolarHBondContact O-CB 3.03Å; G654-S658 PolarHBondContact O-N 3.13Å; G654-S658 PolarHBondContact O-OG 3.01Å |
| 655 | I | 95.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.6 | -36.1 | 178.8 | -60.2 | 174.7 | 0 | 0 | 0 | 111.7 | I609 L634 L647 H651 F652 A653 S658 R659 V763 W766 L767 | I609-I655 HydrophobicContact CB-CG1 4.46Å; I609-I655 HydrophobicContact CD1-CD1 3.86Å; I609-I655 HydrophobicContact CD1-CG1 3.97Å; I609-I655 HydrophobicContact CG1-CD1 3.86Å; I609-I655 HydrophobicContact CG1-CG1 3.82Å; I609-I655 HydrophobicContact CG2-CG1 3.87Å; L634-I655 HydrophobicContact CD2-CD1 3.91Å; L647-I655 HydrophobicContact CD2-CD1 3.82Å; H651-I655 WeakPolarHBondContact O-CG1 3.5Å; H651-I655 PolarHBondContact O-N 3.23Å; H651-I655 VanDerWaalsContact O-N 3.08Å; F652-I655 PolarHBondContact O-N 3.04Å; F652-I655 VanDerWaalsContact O-N 3.17Å; A653-I655 PolarHBondContact O-N 3.15Å; I655-S658 WeakPolarHBondContact O-CB 3.36Å; I655-S658 PolarHBondContact O-N 3.23Å; I655-R659 PolarHBondContact O-N 2.81Å; I655-V763 HydrophobicContact CG2-CG1 4.19Å; I655-W766 HydrophobicContact CD1-CE3 4.35Å; I655-W766 HydrophobicContact CD1-CH2 3.59Å; I655-W766 HydrophobicContact CD1-CZ3 3.36Å; I655-W766 HydrophobicContact CG2-CE3 4.21Å; I655-W766 HydrophobicContact CG2-CZ3 4Å; I655-L767 HydrophobicContact CG2-CD1 4.21Å |
| 656 | I | 95 | Very high | 93.6 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 30% | 0.303 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.7 | -52.9 | 171.1 | -69.8 | 160.7 | 0 | 0 | 0 | 109.6 | F652 A653 S658 R659 E660 L767 | F652-I656 VanDerWaalsContact O-CG1 3.29Å; F652-I656 WeakPolarHBondContact O-CG1 3.44Å; F652-I656 PolarHBondContact O-N 3.47Å; A653-I656 PolarHBondContact O-N 3.3Å; I656-S658 PolarHBondContact O-N 3.06Å; I656-R659 WeakPolarHBondContact O-CA 3.36Å; I656-R659 WeakPolarHBondContact O-CB 3.2Å; I656-R659 PolarHBondContact O-N 2.97Å; I656-E660 WeakPolarHBondContact O-CG 3.45Å; I656-E660 PolarHBondContact O-N 3.28Å; I656-L767 HydrophobicContact CG1-CD1 4.3Å; I656-L767 HydrophobicContact CG1-CD2 3.87Å |
| 657 | N | 96.2 | Very high | 94 | Very high | 103 Ų | 103 | 43.8 Ų | 43.8 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -57.2 | -38.7 | 176.3 | -67.6 | -16.6 | 0 | 0 | 0 | 111.9 | A653 R659 E660 E661 | A653-N657 WeakPolarHBondContact O-CB 3.48Å; A653-N657 PolarHBondContact O-N 3.43Å; A653-N657 PolarHBondContact O-ND2 3.39Å; N657-R659 VanDerWaalsContact C-N 3.34Å; N657-R659 PolarHBondContact O-N 3.08Å; N657-E660 PolarHBondContact O-N 2.84Å; N657-E661 WeakPolarHBondContact O-CG 3.41Å; N657-E661 PolarHBondContact O-N 3.11Å |
| 658 | S | 96.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -33.5 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 113 | G613 C616 G654 I655 I656 A662 | G613-S658 WeakPolarHBondContact CA-OG 3.23Å; C616-S658 WeakPolarHBondContact CB-O 3.16Å; C616-S658 PolarHBondContact SG-O 2.73Å; G654-S658 WeakPolarHBondContact O-CB 3.03Å; G654-S658 PolarHBondContact O-N 3.13Å; G654-S658 PolarHBondContact O-OG 3.01Å; I655-S658 WeakPolarHBondContact O-CB 3.36Å; I655-S658 PolarHBondContact O-N 3.23Å; I656-S658 PolarHBondContact O-N 3.06Å; S658-A662 PolarHBondContact O-N 2.85Å; S658-A662 VanDerWaalsContact O-N 3.16Å |
| 659 | R | 96 | Very high | 94.3 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67 | -45.3 | 171.6 | -174.7 | -171.2 | 63.7 | -175.1 | 1 | 111.1 | I655 I656 N657 A662 M663 Y760 V763 H764 L767 E768 | I655-R659 PolarHBondContact O-N 2.81Å; I656-R659 WeakPolarHBondContact O-CA 3.36Å; I656-R659 WeakPolarHBondContact O-CB 3.2Å; I656-R659 PolarHBondContact O-N 2.97Å; N657-R659 VanDerWaalsContact C-N 3.34Å; N657-R659 PolarHBondContact O-N 3.08Å; R659-A662 PolarHBondContact O-N 2.77Å; R659-M663 WeakPolarHBondContact O-CB 3.34Å; R659-M663 PolarHBondContact O-N 2.79Å; R659-Y760 HydrophobicContact CG-CE2 4.3Å; R659-V763 HydrophobicContact CB-CG1 3.97Å; R659-H764 WeakPolarHBondContact CD-ND1 3.28Å; R659-L767 HydrophobicContact CB-CD2 4.36Å; R659-E768 IonicContact NH1-OE1 3.87Å; R659-E768 PolarHBondContact NH1-OE1 2.95Å |
| 660 | E | 95.9 | Very high | 94.5 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -41.8 | -179.2 | -56.6 | -41.9 | 127.2 | 0 | 0 | 111.7 | I656 N657 M663 L664 | I656-E660 WeakPolarHBondContact O-CG 3.45Å; I656-E660 PolarHBondContact O-N 3.28Å; N657-E660 PolarHBondContact O-N 2.84Å; E660-M663 WeakPolarHBondContact O-CB 3.45Å; E660-M663 PolarHBondContact O-N 3.29Å; E660-M663 WeakPolarHBondContact OE2-CE 3.37Å; E660-L664 WeakPolarHBondContact O-CG 3.12Å; E660-L664 PolarHBondContact O-N 2.79Å |
| 661 | E | 95.4 | Very high | 94.1 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 171.9 | -74.1 | -66.2 | 139.4 | 0 | 0 | 112 | C616 N657 M663 L664 V665 | C616-E661 HydrophobicContact CB-CB 4.26Å; N657-E661 WeakPolarHBondContact O-CG 3.41Å; N657-E661 PolarHBondContact O-N 3.11Å; E661-M663 VanDerWaalsContact C-N 3.28Å; E661-M663 PolarHBondContact O-N 3.01Å; E661-L664 PolarHBondContact O-N 3.29Å; E661-V665 WeakPolarHBondContact O-CG2 3.29Å; E661-V665 PolarHBondContact O-N 3.24Å |
| 662 | A | 96.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C616 S658 R659 L666 Y760 | C616-A662 HydrophobicContact CB-CB 3.87Å; S658-A662 PolarHBondContact O-N 2.85Å; S658-A662 VanDerWaalsContact O-N 3.16Å; R659-A662 PolarHBondContact O-N 2.77Å; A662-L666 WeakPolarHBondContact O-CB 3.27Å; A662-L666 PolarHBondContact O-N 3.39Å; A662-Y760 HydrophobicContact CB-CD2 4.31Å |
| 663 | M | 96.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 175.8 | -163.9 | -151.2 | -65.2 | 0 | 0 | 110.9 | R659 E660 E661 V665 L666 R667 Y760 L974 D975 | R659-M663 WeakPolarHBondContact O-CB 3.34Å; R659-M663 PolarHBondContact O-N 2.79Å; E660-M663 WeakPolarHBondContact O-CB 3.45Å; E660-M663 PolarHBondContact O-N 3.29Å; E660-M663 WeakPolarHBondContact OE2-CE 3.37Å; E661-M663 VanDerWaalsContact C-N 3.28Å; E661-M663 PolarHBondContact O-N 3.01Å; M663-V665 VanDerWaalsContact C-N 3.35Å; M663-V665 PolarHBondContact O-N 3.38Å; M663-L666 PolarHBondContact O-N 3Å; M663-R667 HydrophobicContact CG-CG 4.38Å; M663-R667 WeakPolarHBondContact O-CB 3.32Å; M663-R667 WeakPolarHBondContact O-CG 3.41Å; M663-R667 PolarHBondContact O-N 2.77Å; M663-Y760 HydrophobicContact CB-CD2 4.04Å; M663-Y760 HydrophobicContact CB-CE2 3.83Å; M663-Y760 HydrophobicContact CG-CD2 4.46Å; M663-Y760 HydrophobicContact CG-CE2 3.91Å; M663-L974 HydrophobicContact CG-CB 4.23Å; M663-L974 HydrophobicContact CG-CD2 3.79Å; M663-D975 HydrophobicContact CE-CB 4.42Å; M663-D975 WeakPolarHBondContact CE-OD2 3.42Å; M663-D975 HydrophobicContact SD-CB 4.02Å |
| 664 | L | 95.5 | Very high | 92.4 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 52% | 0.518 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 178.1 | -71.9 | 173.7 | 0 | 0 | 0 | 112 | E660 E661 R667 S668 | E660-L664 WeakPolarHBondContact O-CG 3.12Å; E660-L664 PolarHBondContact O-N 2.79Å; E661-L664 PolarHBondContact O-N 3.29Å; L664-R667 PolarHBondContact O-N 3.41Å; L664-S668 PolarHBondContact O-N 2.93Å |
| 665 | V | 94.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 173.9 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | C616 A618 E661 M663 R667 S668 Y669 A756 | C616-V665 WeakPolarHBondContact O-CG2 3.49Å; A618-V665 HydrophobicContact CB-CG1 4.43Å; A618-V665 HydrophobicContact CB-CG2 4.03Å; E661-V665 WeakPolarHBondContact O-CG2 3.29Å; E661-V665 PolarHBondContact O-N 3.24Å; M663-V665 VanDerWaalsContact C-N 3.35Å; M663-V665 PolarHBondContact O-N 3.38Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-R667 PolarHBondContact O-N 2.86Å; V665-S668 WeakPolarHBondContact O-CB 3.2Å; V665-S668 PolarHBondContact O-N 3.41Å; V665-S668 PolarHBondContact O-OG 2.95Å; V665-Y669 HydrophobicContact CG1-CD2 4.49Å; V665-Y669 HydrophobicContact CG1-CE2 4.04Å; V665-Y669 WeakPolarHBondContact O-CD2 3.42Å; V665-A756 HydrophobicContact CG1-CB 4.34Å |
| 666 | L | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 177.8 | -178.7 | 53.5 | 0 | 0 | 0 | 112.9 | A662 M663 S668 Y669 F670 F676 A756 I757 Y760 L974 | A662-L666 WeakPolarHBondContact O-CB 3.27Å; A662-L666 PolarHBondContact O-N 3.39Å; M663-L666 PolarHBondContact O-N 3Å; L666-S668 VanDerWaalsContact C-N 3.28Å; L666-S668 PolarHBondContact O-N 3.38Å; L666-Y669 CarbonylContact O-C 3.6Å; L666-Y669 PolarHBondContact O-N 3.35Å; L666-Y669 VanDerWaalsContact O-N 3.1Å; L666-F670 PolarHBondContact O-N 2.86Å; L666-F676 HydrophobicContact CD1-CE2 4.12Å; L666-F676 HydrophobicContact CD1-CZ 3.97Å; L666-A756 HydrophobicContact CD1-CB 4.38Å; L666-I757 HydrophobicContact CD1-CB 4.44Å; L666-I757 HydrophobicContact CD1-CG1 3.49Å; L666-I757 VanDerWaalsContact CD1-CG1 3.49Å; L666-I757 HydrophobicContact CD2-CG1 4.42Å; L666-Y760 HydrophobicContact CD2-CD1 3.65Å; L666-Y760 HydrophobicContact CD2-CE1 4.47Å; L666-Y760 HydrophobicContact CD2-CG 3.73Å; L666-L974 HydrophobicContact CD2-CD1 4.27Å; L666-L974 HydrophobicContact CD2-CD2 3.74Å; L666-L974 HydrophobicContact CG-CD1 3.97Å; L666-L974 HydrophobicContact CG-CD2 4.12Å |
| 667 | R | 94.2 | Very high | 91.1 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -31.5 | 174 | -72.8 | 168 | 77.6 | 140.6 | 14.4 | 112.7 | M663 L664 V665 Y669 F670 L974 D975 F976 | M663-R667 HydrophobicContact CG-CG 4.38Å; M663-R667 WeakPolarHBondContact O-CB 3.32Å; M663-R667 WeakPolarHBondContact O-CG 3.41Å; M663-R667 PolarHBondContact O-N 2.77Å; L664-R667 PolarHBondContact O-N 3.41Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-R667 PolarHBondContact O-N 2.86Å; R667-Y669 PolarHBondContact O-N 3.11Å; R667-F670 WeakPolarHBondContact O-CB 3.46Å; R667-F670 PolarHBondContact O-N 2.93Å; R667-L974 WeakPolarHBondContact CD-O 3.14Å; R667-L974 HydrophobicContact CG-CB 3.81Å; R667-L974 HydrophobicContact CG-CD1 4.42Å; R667-L974 PolarHBondContact NE-O 3.33Å; R667-L974 PolarHBondContact NH1-O 2.98Å; R667-D975 VanDerWaalsContact CZ-O 3.24Å; R667-D975 PolarHBondContact NH1-O 3.43Å; R667-D975 PolarHBondContact NH2-O 3.42Å; R667-F976 HydrophobicContact CB-CE2 4.21Å; R667-F976 HydrophobicContact CB-CZ 3.94Å; R667-F976 HydrophobicContact CG-CD2 4.49Å; R667-F976 HydrophobicContact CG-CE2 3.72Å; R667-F976 HydrophobicContact CG-CZ 3.93Å |
| 668 | S | 92.5 | Very high | 90.5 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 62% | 0.622 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66.2 | -23.5 | 174.2 | 78.2 | 0 | 0 | 0 | 0 | 113.6 | L664 V665 L666 | L664-S668 PolarHBondContact O-N 2.93Å; V665-S668 WeakPolarHBondContact O-CB 3.2Å; V665-S668 PolarHBondContact O-N 3.41Å; V665-S668 PolarHBondContact O-OG 2.95Å; L666-S668 VanDerWaalsContact C-N 3.28Å; L666-S668 PolarHBondContact O-N 3.38Å |
| 669 | Y | 90.9 | Very high | 89.9 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 26% | 0.263 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 3.5 | 176.5 | -63.3 | -64.6 | 0 | 0 | 0 | 113.3 | V665 L666 R667 E671 F676 V753 A756 | V665-Y669 HydrophobicContact CG1-CD2 4.49Å; V665-Y669 HydrophobicContact CG1-CE2 4.04Å; V665-Y669 WeakPolarHBondContact O-CD2 3.42Å; L666-Y669 CarbonylContact O-C 3.6Å; L666-Y669 PolarHBondContact O-N 3.35Å; L666-Y669 VanDerWaalsContact O-N 3.1Å; R667-Y669 PolarHBondContact O-N 3.11Å; Y669-E671 PolarHBondContact O-N 2.65Å; Y669-E671 VanDerWaalsContact O-N 3.14Å; Y669-F676 VanDerWaalsContact O-CD2 3.26Å; Y669-F676 WeakPolarHBondContact O-CD2 3.48Å; Y669-F676 VanDerWaalsContact O-CE2 3.24Å; Y669-F676 WeakPolarHBondContact O-CE2 3.33Å; Y669-V753 HydrophobicContact CD1-CG2 3.65Å; Y669-V753 HydrophobicContact CE1-CG2 4.21Å; Y669-V753 HydrophobicContact CG-CG2 3.84Å; Y669-A756 HydrophobicContact CD2-CB 3.99Å; Y669-A756 HydrophobicContact CE2-CB 4.12Å |
| 670 | F | 91.9 | Very high | 89.7 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 10% | 0.101 | 23% | 0.225 | C | C | . | . | trans | -75.8 | 105.3 | -173.7 | -179.2 | -97.2 | 0 | 0 | 0 | 111.9 | L666 R667 I672 F676 I970 A971 L974 F976 F980 F985 | L666-F670 PolarHBondContact O-N 2.86Å; R667-F670 WeakPolarHBondContact O-CB 3.46Å; R667-F670 PolarHBondContact O-N 2.93Å; F670-I672 HydrophobicContact CE1-CG1 3.94Å; F670-I672 HydrophobicContact CZ-CG1 4.4Å; F670-F676 HydrophobicContact CB-CZ 4.49Å; F670-F676 HydrophobicContact CD2-CD1 4.08Å; F670-F676 AromaticContact CD2-CE1 3.46Å; F670-F676 HydrophobicContact CD2-CE1 3.46Å; F670-F676 VanDerWaalsContact CD2-CE1 3.46Å; F670-F676 AromaticContact CD2-CZ 3.76Å; F670-F676 HydrophobicContact CD2-CZ 3.76Å; F670-F676 HydrophobicContact CE2-CD1 4.2Å; F670-F676 AromaticContact CE2-CE1 3.8Å; F670-F676 HydrophobicContact CE2-CE1 3.8Å; F670-I970 HydrophobicContact CD2-CG2 4.27Å; F670-I970 HydrophobicContact CE2-CB 4.1Å; F670-I970 HydrophobicContact CE2-CG2 3.96Å; F670-A971 HydrophobicContact CE1-CB 4.19Å; F670-A971 HydrophobicContact CZ-CB 3.84Å; F670-L974 HydrophobicContact CD2-CD1 3.95Å; F670-L974 HydrophobicContact CG-CD1 4.5Å; F670-F976 HydrophobicContact CB-CE2 3.98Å; F670-F976 HydrophobicContact CB-CZ 3.92Å; F670-F976 HydrophobicContact CD1-CD2 4.5Å; F670-F976 AromaticContact CD1-CE2 3.76Å; F670-F976 HydrophobicContact CD1-CE2 3.76Å; F670-F976 AromaticContact CD1-CZ 3.82Å; F670-F976 HydrophobicContact CD1-CZ 3.82Å; F670-F976 HydrophobicContact CD2-CE2 4.45Å; F670-F976 HydrophobicContact CE1-CE2 4.42Å; F670-F976 AromaticContact CG-CE2 3.78Å; F670-F976 HydrophobicContact CG-CE2 3.78Å; F670-F976 HydrophobicContact CG-CZ 4.03Å; F670-F980 HydrophobicContact CE1-CE1 4.33Å; F670-F985 HydrophobicContact CZ-CZ 4.27Å | ||
| 671 | E | 84.8 | Confident | 89.2 | Confident | 128 Ų | 128 | 40.7 Ų | 40.7 | 60% | 0.598 | 21% | 0.213 | S | C | * | . | trans | -107.3 | 148.9 | 171.3 | -66.8 | -161.1 | 147.9 | 0 | 0 | 112.5 | Y669 S673 F676 | Y669-E671 PolarHBondContact O-N 2.65Å; Y669-E671 VanDerWaalsContact O-N 3.14Å; E671-S673 PolarHBondContact O-N 3.4Å; E671-S673 VanDerWaalsContact O-N 3.09Å; E671-F676 HydrophobicContact CB-CB 4.42Å | ||
| 672 | I | 83.7 | Confident | 88.6 | Confident | 70 Ų | 70 | 37 Ų | 37 | 36% | 0.359 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -88.6 | 71.3 | 172.1 | -55.8 | 177.4 | 0 | 0 | 0 | 107.7 | F670 L967 K984 F985 | F670-I672 HydrophobicContact CE1-CG1 3.94Å; F670-I672 HydrophobicContact CZ-CG1 4.4Å; I672-L967 HydrophobicContact CG2-CD1 4.05Å; I672-K984 HydrophobicContact CD1-CB 3.53Å; I672-K984 HydrophobicContact CD1-CD 4.28Å; I672-K984 HydrophobicContact CD1-CG 4.14Å; I672-F985 HydrophobicContact CD1-CD1 4.48Å; I672-F985 HydrophobicContact CD1-CD2 4.2Å; I672-F985 HydrophobicContact CD1-CE1 4.04Å; I672-F985 HydrophobicContact CD1-CE2 3.72Å; I672-F985 HydrophobicContact CD1-CZ 3.64Å; I672-F985 HydrophobicContact CG1-CE1 4.17Å; I672-F985 HydrophobicContact CG1-CE2 4.31Å; I672-F985 HydrophobicContact CG1-CZ 3.78Å; I672-F985 HydrophobicContact CG2-CD1 4.21Å; I672-F985 HydrophobicContact CG2-CE1 3.63Å; I672-F985 HydrophobicContact CG2-CZ 4.13Å |
| 673 | S | 83.6 | Confident | 88 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -138.6 | 145.7 | -178.7 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | E671 I675 F676 L677 | E671-S673 PolarHBondContact O-N 3.4Å; E671-S673 VanDerWaalsContact O-N 3.09Å; S673-I675 PolarHBondContact O-N 2.87Å; S673-F676 PolarHBondContact O-N 3.48Å; S673-F676 VanDerWaalsContact O-N 3.11Å; S673-F676 PolarHBondContact OG-N 2.83Å; S673-L677 PolarHBondContact O-N 2.93Å |
| 674 | A | 78 | Confident | 87.6 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -53.2 | -35.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F676 L677 D678 E963 | A674-F676 PolarHBondContact O-N 3.39Å; A674-L677 PolarHBondContact O-N 3.33Å; A674-D678 VanDerWaalsContact O-CB 3.3Å; A674-D678 WeakPolarHBondContact O-CB 3.38Å; A674-D678 PolarHBondContact O-N 2.76Å; A674-E963 WeakPolarHBondContact CA-OE1 3.28Å; A674-E963 PolarHBondContact N-OE1 3.05Å |
| 675 | I | 82.1 | Confident | 86.9 | Confident | 97 Ų | 97 | 34.6 Ų | 34.6 | 50% | 0.497 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 178.3 | -57.7 | 174.7 | 0 | 0 | 0 | 111.2 | S673 D678 L679 | S673-I675 PolarHBondContact O-N 2.87Å; I675-D678 PolarHBondContact O-N 3.11Å; I675-L679 VanDerWaalsContact O-CG 3.3Å; I675-L679 WeakPolarHBondContact O-CG 3.27Å; I675-L679 PolarHBondContact O-N 3.19Å |
| 676 | F | 88.3 | Confident | 86.1 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -40.6 | 177.3 | -177.3 | -88.2 | 0 | 0 | 0 | 111.8 | L666 Y669 F670 E671 S673 A674 L679 F680 V753 I757 L967 I970 | L666-F676 HydrophobicContact CD1-CE2 4.12Å; L666-F676 HydrophobicContact CD1-CZ 3.97Å; Y669-F676 VanDerWaalsContact O-CD2 3.26Å; Y669-F676 WeakPolarHBondContact O-CD2 3.48Å; Y669-F676 VanDerWaalsContact O-CE2 3.24Å; Y669-F676 WeakPolarHBondContact O-CE2 3.33Å; F670-F676 HydrophobicContact CB-CZ 4.49Å; F670-F676 HydrophobicContact CD2-CD1 4.08Å; F670-F676 AromaticContact CD2-CE1 3.46Å; F670-F676 HydrophobicContact CD2-CE1 3.46Å; F670-F676 VanDerWaalsContact CD2-CE1 3.46Å; F670-F676 AromaticContact CD2-CZ 3.76Å; F670-F676 HydrophobicContact CD2-CZ 3.76Å; F670-F676 HydrophobicContact CE2-CD1 4.2Å; F670-F676 AromaticContact CE2-CE1 3.8Å; F670-F676 HydrophobicContact CE2-CE1 3.8Å; E671-F676 HydrophobicContact CB-CB 4.42Å; S673-F676 PolarHBondContact O-N 3.48Å; S673-F676 VanDerWaalsContact O-N 3.11Å; S673-F676 PolarHBondContact OG-N 2.83Å; A674-F676 PolarHBondContact O-N 3.39Å; F676-L679 PolarHBondContact O-N 3.14Å; F676-F680 WeakPolarHBondContact O-CB 3.48Å; F676-F680 PolarHBondContact O-N 2.93Å; F676-V753 HydrophobicContact CD2-CG1 4.25Å; F676-V753 HydrophobicContact CE2-CG1 4.2Å; F676-I757 HydrophobicContact CE2-CD1 4.46Å; F676-L967 HydrophobicContact CD1-CD2 4.15Å; F676-I970 HydrophobicContact CE1-CD1 4.22Å; F676-I970 HydrophobicContact CE1-CG2 4.1Å |
| 677 | L | 87.1 | Confident | 85.4 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 173.7 | 178.7 | 60.4 | 0 | 0 | 0 | 111.9 | S673 A674 L679 F680 E681 F817 E963 K966 L967 I970 | S673-L677 PolarHBondContact O-N 2.93Å; A674-L677 PolarHBondContact O-N 3.33Å; L677-L679 PolarHBondContact O-N 3.45Å; L677-F680 PolarHBondContact O-N 3.22Å; L677-E681 HydrophobicContact CD1-CG 4.09Å; L677-E681 PolarHBondContact O-N 3.2Å; L677-F817 HydrophobicContact CD1-CE1 4.15Å; L677-E963 HydrophobicContact CD2-CB 4.45Å; L677-E963 HydrophobicContact CD2-CG 3.98Å; L677-K966 HydrophobicContact CD1-CB 3.72Å; L677-K966 HydrophobicContact CD1-CD 4.25Å; L677-K966 HydrophobicContact CD2-CB 3.94Å; L677-K966 HydrophobicContact CD2-CD 4.33Å; L677-L967 HydrophobicContact CB-CD2 3.98Å; L677-L967 HydrophobicContact CB-CG 4.24Å; L677-I970 HydrophobicContact CD1-CD1 3.89Å |
| 678 | D | 82.4 | Confident | 84.8 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 178.6 | -74.8 | -7.4 | 0 | 0 | 0 | 110.9 | A674 I675 N682 T913 N916 | A674-D678 VanDerWaalsContact O-CB 3.3Å; A674-D678 WeakPolarHBondContact O-CB 3.38Å; A674-D678 PolarHBondContact O-N 2.76Å; I675-D678 PolarHBondContact O-N 3.11Å; D678-N682 VanDerWaalsContact O-CB 3.24Å; D678-N682 WeakPolarHBondContact O-CB 3.21Å; D678-N682 PolarHBondContact O-N 2.88Å; D678-T913 VanDerWaalsContact CG-CA 3.5Å; D678-T913 VanDerWaalsContact OD1-CB 3.23Å; D678-T913 WeakPolarHBondContact OD1-CB 3.5Å; D678-T913 WeakPolarHBondContact OD1-CG2 3.42Å; D678-N916 PolarHBondContact OD2-ND2 2.93Å |
| 679 | L | 85 | Confident | 84 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 173.5 | -70.9 | -179.2 | 0 | 0 | 0 | 112 | I675 F676 L677 N682 E683 R750 V753 Q754 I757 | I675-L679 VanDerWaalsContact O-CG 3.3Å; I675-L679 WeakPolarHBondContact O-CG 3.27Å; I675-L679 PolarHBondContact O-N 3.19Å; F676-L679 PolarHBondContact O-N 3.14Å; L677-L679 PolarHBondContact O-N 3.45Å; L679-N682 PolarHBondContact O-N 3.35Å; L679-E683 PolarHBondContact O-N 2.79Å; L679-R750 HydrophobicContact CD1-CG 4.2Å; L679-R750 HydrophobicContact CD2-CG 4.09Å; L679-V753 HydrophobicContact CD1-CB 4.25Å; L679-V753 HydrophobicContact CD1-CG1 3.85Å; L679-Q754 HydrophobicContact CD2-CG 3.65Å; L679-I757 HydrophobicContact CB-CD1 3.83Å |
| 680 | F | 90.5 | Very high | 83 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -49 | -179 | -173.1 | -89.2 | 0 | 0 | 0 | 112.3 | F676 L677 N682 L684 I757 L761 L814 F817 I970 L973 | F676-F680 WeakPolarHBondContact O-CB 3.48Å; F676-F680 PolarHBondContact O-N 2.93Å; L677-F680 PolarHBondContact O-N 3.22Å; F680-N682 VanDerWaalsContact C-N 3.27Å; F680-N682 PolarHBondContact O-N 3.31Å; F680-L684 WeakPolarHBondContact O-CB 3.3Å; F680-L684 PolarHBondContact O-N 2.96Å; F680-I757 HydrophobicContact CB-CD1 4.43Å; F680-I757 HydrophobicContact CD2-CG1 4.46Å; F680-I757 HydrophobicContact CD2-CG2 3.9Å; F680-I757 HydrophobicContact CE2-CG2 4.48Å; F680-I757 HydrophobicContact CG-CG2 4.49Å; F680-L761 HydrophobicContact CE2-CD2 4.19Å; F680-L761 HydrophobicContact CE2-CG 4.47Å; F680-L761 HydrophobicContact CZ-CD2 3.9Å; F680-L814 HydrophobicContact CZ-CD2 4.43Å; F680-F817 HydrophobicContact CD1-CD1 4.25Å; F680-F817 HydrophobicContact CD1-CE1 4.29Å; F680-F817 HydrophobicContact CE1-CD1 4.17Å; F680-F817 HydrophobicContact CE1-CE1 4.19Å; F680-F817 HydrophobicContact CE1-CG 4.38Å; F680-F817 HydrophobicContact CE1-CZ 4.44Å; F680-I970 HydrophobicContact CB-CD1 3.84Å; F680-I970 HydrophobicContact CD1-CD1 3.62Å; F680-I970 HydrophobicContact CD1-CG1 4.04Å; F680-I970 HydrophobicContact CD2-CD1 4.06Å; F680-I970 HydrophobicContact CD2-CG1 4.49Å; F680-I970 HydrophobicContact CD2-CG2 4.27Å; F680-I970 HydrophobicContact CE1-CD1 4.17Å; F680-I970 HydrophobicContact CE1-CG1 4.07Å; F680-I970 HydrophobicContact CE2-CG2 4.13Å; F680-I970 HydrophobicContact CG-CD1 3.56Å; F680-I970 HydrophobicContact CG-CG1 4.26Å; F680-I970 HydrophobicContact CZ-CG1 4.31Å; F680-L973 HydrophobicContact CZ-CD2 3.94Å |
| 681 | E | 86 | Confident | 82 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.9 | -26.5 | 177.1 | -65.9 | -155.1 | 126 | 0 | 0 | 112.3 | L677 R685 F817 C818 Q888 K966 | L677-E681 HydrophobicContact CD1-CG 4.09Å; L677-E681 PolarHBondContact O-N 3.2Å; E681-R685 VanDerWaalsContact O-CG 3.32Å; E681-R685 WeakPolarHBondContact O-CG 3.42Å; E681-R685 PolarHBondContact O-N 3.34Å; E681-R685 VanDerWaalsContact O-N 3.11Å; E681-R685 PolarHBondContact O-NE 2.78Å; E681-R685 PolarHBondContact O-NH1 3.32Å; E681-F817 HydrophobicContact CG-CD1 4.13Å; E681-F817 WeakPolarHBondContact OE1-CA 3.41Å; E681-C818 PolarHBondContact O-SG 2.86Å; E681-C818 PolarHBondContact OE1-N 3.5Å; E681-Q888 PolarHBondContact OE2-NE2 2.97Å; E681-K966 IonicContact OE1-NZ 3.42Å; E681-K966 PolarHBondContact OE1-NZ 3.07Å; E681-K966 IonicContact OE2-NZ 3.19Å; E681-K966 PolarHBondContact OE2-NZ 3.48Å |
| 682 | N | 81.9 | Confident | 81.1 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.3 | -51.1 | 175 | -162.5 | 70 | 0 | 0 | 0 | 112.9 | D678 L679 F680 L684 R685 R686 C914 | D678-N682 VanDerWaalsContact O-CB 3.24Å; D678-N682 WeakPolarHBondContact O-CB 3.21Å; D678-N682 PolarHBondContact O-N 2.88Å; L679-N682 PolarHBondContact O-N 3.35Å; F680-N682 VanDerWaalsContact C-N 3.27Å; F680-N682 PolarHBondContact O-N 3.31Å; N682-L684 VanDerWaalsContact C-N 3.3Å; N682-L684 PolarHBondContact O-N 3.29Å; N682-R685 VanDerWaalsContact CA-NH2 3.33Å; N682-R685 PolarHBondContact O-N 3.04Å; N682-R685 PolarHBondContact OD1-NH2 3.23Å; N682-R685 VanDerWaalsContact OD1-NH2 3.12Å; N682-R686 WeakPolarHBondContact O-CG 3.36Å; N682-R686 PolarHBondContact O-N 3.21Å; N682-C914 PolarHBondContact OD1-SG 3.04Å; N682-C914 VanDerWaalsContact OD1-SG 3.41Å |
| 683 | E | 84.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -32.1 | 178 | -62.6 | -51.6 | 131.4 | 0 | 0 | 112.1 | L679 R685 R686 I687 Q754 I757 | L679-E683 PolarHBondContact O-N 2.79Å; E683-R685 PolarHBondContact O-N 2.94Å; E683-R686 PolarHBondContact O-N 2.78Å; E683-R686 IonicContact OE1-NH1 3.96Å; E683-R686 PolarHBondContact OE1-NH1 3.39Å; E683-R686 IonicContact OE2-CZ 3.32Å; E683-R686 IonicContact OE2-NH1 3.25Å; E683-R686 PolarHBondContact OE2-NH1 2.65Å; E683-I687 WeakPolarHBondContact O-CB 3.3Å; E683-I687 WeakPolarHBondContact O-CG1 3.46Å; E683-I687 PolarHBondContact O-N 3.12Å; E683-Q754 HydrophobicContact CG-CB 4.08Å; E683-Q754 HydrophobicContact CG-CG 4.2Å; E683-Q754 PolarHBondContact OE1-NE2 3.32Å; E683-I757 HydrophobicContact CB-CB 4.42Å; E683-I757 HydrophobicContact CB-CG2 3.67Å; E683-I757 HydrophobicContact CG-CB 4.4Å; E683-I757 HydrophobicContact CG-CG2 4.13Å |
| 684 | L | 86.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 170.8 | -175.7 | 59.6 | 0 | 0 | 0 | 111.8 | F680 N682 I687 Q688 L761 I765 L808 L814 F817 I820 | F680-L684 WeakPolarHBondContact O-CB 3.3Å; F680-L684 PolarHBondContact O-N 2.96Å; N682-L684 VanDerWaalsContact C-N 3.3Å; N682-L684 PolarHBondContact O-N 3.29Å; L684-I687 PolarHBondContact O-N 3.08Å; L684-Q688 WeakPolarHBondContact O-CB 3.23Å; L684-Q688 VanDerWaalsContact O-CG 3.29Å; L684-Q688 WeakPolarHBondContact O-CG 3.18Å; L684-Q688 PolarHBondContact O-N 2.71Å; L684-L761 HydrophobicContact CB-CD1 3.95Å; L684-L761 HydrophobicContact CD1-CD1 4.14Å; L684-L761 HydrophobicContact CD1-CD2 4.29Å; L684-I765 HydrophobicContact CD1-CD1 4.38Å; L684-L808 HydrophobicContact CD1-CD1 3.74Å; L684-L814 HydrophobicContact CD1-CD1 4.34Å; L684-F817 HydrophobicContact CD2-CB 3.71Å; L684-I820 HydrophobicContact CD2-CD1 4.07Å |
| 685 | R | 82.1 | Confident | 80.7 | Confident | 55 Ų | 55 | 34.9 Ų | 34.9 | 21% | 0.208 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 173.7 | -71.9 | -179.8 | -56.2 | -103.5 | 4.1 | 112.5 | E681 N682 E683 Q688 S689 C818 T913 C914 | E681-R685 VanDerWaalsContact O-CG 3.32Å; E681-R685 WeakPolarHBondContact O-CG 3.42Å; E681-R685 PolarHBondContact O-N 3.34Å; E681-R685 VanDerWaalsContact O-N 3.11Å; E681-R685 PolarHBondContact O-NE 2.78Å; E681-R685 PolarHBondContact O-NH1 3.32Å; N682-R685 VanDerWaalsContact CA-NH2 3.33Å; N682-R685 PolarHBondContact O-N 3.04Å; N682-R685 PolarHBondContact OD1-NH2 3.23Å; N682-R685 VanDerWaalsContact OD1-NH2 3.12Å; E683-R685 PolarHBondContact O-N 2.94Å; R685-Q688 PolarHBondContact O-N 3.11Å; R685-S689 PolarHBondContact O-N 2.93Å; R685-C818 HydrophobicContact CG-CB 4.35Å; R685-T913 PolarHBondContact NH1-OG1 3.12Å; R685-T913 PolarHBondContact NH2-OG1 2.76Å; R685-C914 PolarHBondContact NH2-SG 3.4Å |
| 686 | R | 77.2 | Confident | 80.8 | Confident | 53 Ų | 53 | 34.3 Ų | 34.3 | 20% | 0.2 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.5 | -67.6 | 175 | 82.6 | -143.6 | 7.5 | 111.3 | N682 E683 S689 D738 | N682-R686 WeakPolarHBondContact O-CG 3.36Å; N682-R686 PolarHBondContact O-N 3.21Å; E683-R686 PolarHBondContact O-N 2.78Å; E683-R686 IonicContact OE1-NH1 3.96Å; E683-R686 PolarHBondContact OE1-NH1 3.39Å; E683-R686 IonicContact OE2-CZ 3.32Å; E683-R686 IonicContact OE2-NH1 3.25Å; E683-R686 PolarHBondContact OE2-NH1 2.65Å; R686-S689 WeakPolarHBondContact O-CB 3.48Å; R686-S689 PolarHBondContact O-N 3.06Å; R686-S689 PolarHBondContact O-OG 2.97Å; R686-D738 IonicContact NE-OD1 3.27Å; R686-D738 PolarHBondContact NH2-O 3.05Å |
| 687 | I | 80.5 | Confident | 80.5 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.7 | -36.1 | 176.6 | -75.3 | 170.3 | 0 | 0 | 0 | 112.5 | R628 E683 L684 S689 G758 L761 L762 I765 F805 | R628-I687 PolarHBondContact NH1-O 3.15Å; R628-I687 VanDerWaalsContact NH1-O 3.08Å; R628-I687 PolarHBondContact NH2-O 2.96Å; E683-I687 WeakPolarHBondContact O-CB 3.3Å; E683-I687 WeakPolarHBondContact O-CG1 3.46Å; E683-I687 PolarHBondContact O-N 3.12Å; L684-I687 PolarHBondContact O-N 3.08Å; I687-S689 VanDerWaalsContact C-N 3.27Å; I687-S689 PolarHBondContact O-N 3.41Å; I687-G758 WeakPolarHBondContact CD1-O 3.47Å; I687-L761 HydrophobicContact CD1-CB 3.44Å; I687-L761 VanDerWaalsContact CD1-CB 3.44Å; I687-L761 HydrophobicContact CD1-CD1 4.15Å; I687-L761 HydrophobicContact CD1-CG 4.45Å; I687-L762 HydrophobicContact CD1-CD2 4.15Å; I687-L762 HydrophobicContact CD1-CG 3.99Å; I687-L762 HydrophobicContact CG1-CD2 4.03Å; I687-L762 HydrophobicContact CG1-CG 4.34Å; I687-L762 HydrophobicContact CG2-CD2 4.2Å; I687-I765 HydrophobicContact CG2-CD1 3.94Å; I687-F805 HydrophobicContact CG2-CB 4.17Å; I687-F805 HydrophobicContact CG2-CD1 3.69Å; I687-F805 HydrophobicContact CG2-CE1 4.44Å; I687-F805 HydrophobicContact CG2-CG 4.13Å; I687-F805 WeakPolarHBondContact O-CB 3.3Å |
| 688 | Q | 80.9 | Confident | 80.4 | Confident | 61 Ų | 61 | 34 Ų | 34 | 29% | 0.285 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.5 | -21.5 | 172.3 | -74.6 | 178 | -37 | 0 | 0 | 113.7 | L684 R685 L808 | L684-Q688 WeakPolarHBondContact O-CB 3.23Å; L684-Q688 VanDerWaalsContact O-CG 3.29Å; L684-Q688 WeakPolarHBondContact O-CG 3.18Å; L684-Q688 PolarHBondContact O-N 2.71Å; R685-Q688 PolarHBondContact O-N 3.11Å; Q688-L808 HydrophobicContact CG-CD1 3.7Å; Q688-L808 HydrophobicContact CG-CG 4.25Å |
| 689 | S | 76.2 | Confident | 80.5 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 47% | 0.469 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -70.1 | 142.4 | 174.4 | 78.8 | 0 | 0 | 0 | 0 | 111 | R628 R685 R686 I687 L691 | R628-S689 PolarHBondContact NH2-O 3.04Å; R685-S689 PolarHBondContact O-N 2.93Å; R686-S689 WeakPolarHBondContact O-CB 3.48Å; R686-S689 PolarHBondContact O-N 3.06Å; R686-S689 PolarHBondContact O-OG 2.97Å; I687-S689 VanDerWaalsContact C-N 3.27Å; I687-S689 PolarHBondContact O-N 3.41Å; S689-L691 PolarHBondContact O-N 3.42Å |
| 690 | A | 68.7 | Low | 80.5 | Confident | 85 Ų | 85 | 37 Ų | 37 | 70% | 0.702 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -57.5 | 134.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 691 | L | 71.3 | Confident | 80.2 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 140.8 | 172.7 | -174.8 | 71.8 | 0 | 0 | 0 | 109.3 | I625 R628 M629 S689 L693 | I625-L691 HydrophobicContact CD1-CD1 3.73Å; R628-L691 HydrophobicContact CG-CD1 4.12Å; M629-L691 HydrophobicContact SD-CD2 3.63Å; S689-L691 PolarHBondContact O-N 3.42Å; L691-L693 PolarHBondContact O-N 3.17Å |
| 692 | P | 66.2 | Low | 80 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 29% | 0.286 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -51.8 | 140 | 168.8 | -26.5 | 35.6 | 0 | 0 | 0 | 111.1 | ||
| 693 | L | 74.7 | Confident | 80 | Confident | 120 Ų | 120 | 38.9 Ų | 38.9 | 63% | 0.628 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -57.1 | 147.6 | 178.4 | -176 | 61.1 | 0 | 0 | 0 | 110.2 | L691 S695 T696 L697 | L691-L693 PolarHBondContact O-N 3.17Å; L693-S695 WeakPolarHBondContact CD2-OG 3.3Å; L693-S695 WeakPolarHBondContact CG-OG 3.49Å; L693-S695 PolarHBondContact O-N 3.3Å; L693-S695 VanDerWaalsContact O-N 3.14Å; L693-T696 WeakPolarHBondContact O-CB 3.39Å; L693-T696 PolarHBondContact O-N 2.93Å; L693-L697 PolarHBondContact O-N 2.75Å |
| 694 | L | 81 | Confident | 80 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -50.5 | -43.6 | -177.3 | -178.8 | 68.5 | 0 | 0 | 0 | 112 | L316 L568 F571 A572 M629 L697 A698 | L316-L694 HydrophobicContact CD2-CB 4.39Å; L316-L694 HydrophobicContact CD2-CD2 3.76Å; L316-L694 HydrophobicContact CD2-CG 4.01Å; L316-L694 HydrophobicContact CG-CD2 4.41Å; L568-L694 HydrophobicContact CD2-CD1 3.62Å; F571-L694 HydrophobicContact CD1-CD1 3.66Å; F571-L694 HydrophobicContact CD1-CD2 3.54Å; F571-L694 HydrophobicContact CD1-CG 4.08Å; F571-L694 HydrophobicContact CE1-CB 4.2Å; F571-L694 HydrophobicContact CE1-CD1 4.15Å; F571-L694 HydrophobicContact CE1-CD2 3.79Å; F571-L694 HydrophobicContact CE1-CG 4.25Å; A572-L694 HydrophobicContact CB-CD2 4.08Å; M629-L694 HydrophobicContact CE-CD1 4.05Å; L694-L697 PolarHBondContact O-N 2.88Å; L694-A698 WeakPolarHBondContact O-CB 3.43Å; L694-A698 PolarHBondContact O-N 3.21Å |
| 695 | S | 80.9 | Confident | 79.6 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -55.6 | 174.6 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | L693 L697 A698 T699 | L693-S695 WeakPolarHBondContact CD2-OG 3.3Å; L693-S695 WeakPolarHBondContact CG-OG 3.49Å; L693-S695 PolarHBondContact O-N 3.3Å; L693-S695 VanDerWaalsContact O-N 3.14Å; S695-L697 VanDerWaalsContact C-N 3.26Å; S695-L697 PolarHBondContact O-N 3.22Å; S695-A698 PolarHBondContact O-N 2.75Å; S695-A698 VanDerWaalsContact O-N 3.09Å; S695-T699 WeakPolarHBondContact O-CB 3.45Å; S695-T699 WeakPolarHBondContact O-CG2 3.25Å; S695-T699 PolarHBondContact O-N 2.75Å; S695-T699 PolarHBondContact O-OG1 3.39Å |
| 696 | T | 84 | Confident | 79.1 | Confident | 84 Ų | 84 | 46.3 Ų | 46.3 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.8 | -39.8 | 179 | -47.8 | 0 | 0 | 0 | 0 | 113.2 | L693 T699 | L693-T696 WeakPolarHBondContact O-CB 3.39Å; L693-T696 PolarHBondContact O-N 2.93Å; T696-T699 PolarHBondContact O-OG1 3.2Å |
| 697 | L | 83.2 | Confident | 78.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.3 | -51.2 | 175.2 | 178.3 | 62.3 | 0 | 0 | 0 | 111.4 | L568 I625 M629 L693 L694 S695 T699 D700 L703 I742 Y743 | L568-L697 HydrophobicContact CD2-CD2 3.91Å; I625-L697 HydrophobicContact CD1-CD1 4.4Å; I625-L697 HydrophobicContact CD1-CD2 3.92Å; I625-L697 HydrophobicContact CG1-CD1 4.21Å; I625-L697 HydrophobicContact CG1-CD2 3.98Å; M629-L697 HydrophobicContact CG-CD2 4.31Å; M629-L697 HydrophobicContact SD-CD2 4.31Å; L693-L697 PolarHBondContact O-N 2.75Å; L694-L697 PolarHBondContact O-N 2.88Å; S695-L697 VanDerWaalsContact C-N 3.26Å; S695-L697 PolarHBondContact O-N 3.22Å; L697-T699 PolarHBondContact O-N 3.29Å; L697-D700 PolarHBondContact O-N 3.25Å; L697-L703 HydrophobicContact CG-CD1 4.48Å; L697-L703 WeakPolarHBondContact O-CD1 3.48Å; L697-I742 HydrophobicContact CD1-CG2 4.26Å; L697-Y743 HydrophobicContact CD1-CE1 4.47Å |
| 698 | A | 84.2 | Confident | 77.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.6 | -24.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | F309 I312 H313 L316 L694 S695 D700 | F309-A698 WeakPolarHBondContact CE2-O 3.34Å; F309-A698 WeakPolarHBondContact CZ-O 3.33Å; I312-A698 HydrophobicContact CG2-CB 3.64Å; H313-A698 PolarHBondContact NE2-O 2.66Å; L316-A698 HydrophobicContact CD1-CB 3.63Å; L694-A698 WeakPolarHBondContact O-CB 3.43Å; L694-A698 PolarHBondContact O-N 3.21Å; S695-A698 PolarHBondContact O-N 2.75Å; S695-A698 VanDerWaalsContact O-N 3.09Å; A698-D700 VanDerWaalsContact C-N 3.26Å; A698-D700 PolarHBondContact O-N 3.17Å |
| 699 | T | 85.4 | Confident | 75.4 | Confident | 48 Ų | 48 | 52 Ų | 52 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.6 | 175.1 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | I244 F317 S695 T696 L697 A701 | I244-T699 HydrophobicContact CD1-CG2 3.63Å; F317-T699 HydrophobicContact CE2-CG2 4.46Å; F317-T699 HydrophobicContact CZ-CG2 3.88Å; S695-T699 WeakPolarHBondContact O-CB 3.45Å; S695-T699 WeakPolarHBondContact O-CG2 3.25Å; S695-T699 PolarHBondContact O-N 2.75Å; S695-T699 PolarHBondContact O-OG1 3.39Å; T696-T699 PolarHBondContact O-OG1 3.2Å; L697-T699 PolarHBondContact O-N 3.29Å; T699-A701 PolarHBondContact O-N 3.18Å |
| 700 | D | 85 | Confident | 73.5 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | trans | -77.6 | 106.7 | 178.1 | -165.1 | -25.6 | 0 | 0 | 0 | 111.5 | L697 A698 R702 L703 Y743 | L697-D700 PolarHBondContact O-N 3.25Å; A698-D700 VanDerWaalsContact C-N 3.26Å; A698-D700 PolarHBondContact O-N 3.17Å; D700-R702 PolarHBondContact O-N 3.34Å; D700-R702 WeakPolarHBondContact OD1-CB 3.28Å; D700-R702 VanDerWaalsContact OD1-CG 3.29Å; D700-R702 WeakPolarHBondContact OD1-CG 3.4Å; D700-R702 PolarHBondContact OD1-N 2.93Å; D700-R702 IonicContact OD1-NE 3.92Å; D700-R702 PolarHBondContact OD1-NE 3.08Å; D700-R702 IonicContact OD2-CZ 3.79Å; D700-R702 IonicContact OD2-NE 3.92Å; D700-R702 PolarHBondContact OD2-NE 3.38Å; D700-R702 IonicContact OD2-NH2 3.96Å; D700-R702 PolarHBondContact OD2-NH2 3.19Å; D700-L703 WeakPolarHBondContact O-CB 3.24Å; D700-L703 PolarHBondContact O-N 3.31Å; D700-Y743 HydrophobicContact CB-CE1 4.04Å; D700-Y743 PolarHBondContact OD2-OH 3.12Å | ||
| 701 | A | 83.4 | Confident | 71.6 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -52 | -21.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L236 K237 V240 T699 L703 L704 | L236-A701 HydrophobicContact CD2-CB 4.41Å; L236-A701 HydrophobicContact CG-CB 4.16Å; K237-A701 HydrophobicContact CB-CB 4.49Å; V240-A701 HydrophobicContact CB-CB 4.42Å; V240-A701 HydrophobicContact CG2-CB 4.2Å; T699-A701 PolarHBondContact O-N 3.18Å; A701-L703 PolarHBondContact O-N 3.35Å; A701-L704 PolarHBondContact O-N 3.3Å |
| 702 | R | 81.1 | Confident | 69.5 | Low | 53 Ų | 53 | 60.6 Ų | 60.6 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -58.9 | -23.4 | 171.9 | -69.8 | -176.6 | -70.3 | -178 | -4.4 | 113.2 | D700 L704 I705 D740 Y743 | D700-R702 PolarHBondContact O-N 3.34Å; D700-R702 WeakPolarHBondContact OD1-CB 3.28Å; D700-R702 VanDerWaalsContact OD1-CG 3.29Å; D700-R702 WeakPolarHBondContact OD1-CG 3.4Å; D700-R702 PolarHBondContact OD1-N 2.93Å; D700-R702 IonicContact OD1-NE 3.92Å; D700-R702 PolarHBondContact OD1-NE 3.08Å; D700-R702 IonicContact OD2-CZ 3.79Å; D700-R702 IonicContact OD2-NE 3.92Å; D700-R702 PolarHBondContact OD2-NE 3.38Å; D700-R702 IonicContact OD2-NH2 3.96Å; D700-R702 PolarHBondContact OD2-NH2 3.19Å; R702-L704 VanDerWaalsContact C-N 3.28Å; R702-L704 PolarHBondContact O-N 3.45Å; R702-I705 PolarHBondContact O-N 2.98Å; R702-D740 IonicContact CZ-OD1 3.56Å; R702-D740 IonicContact NH1-OD1 2.79Å; R702-D740 PolarHBondContact NH1-OD1 3.23Å; R702-Y743 HydrophobicContact CB-CD1 3.88Å; R702-Y743 HydrophobicContact CB-CE1 4.3Å; R702-Y743 HydrophobicContact CB-CG 4.2Å; R702-Y743 VanDerWaalsContact CZ-CE2 3.47Å; R702-Y743 VanDerWaalsContact NH2-CE2 3.26Å |
| 703 | L | 83.7 | Confident | 67.5 | Low | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -64.2 | -29.3 | 176.4 | -72.2 | 178.6 | 0 | 0 | 0 | 113.5 | F309 Q561 L564 F565 L568 L697 D700 A701 I705 Y743 | F309-L703 HydrophobicContact CE2-CB 4.24Å; Q561-L703 PolarHBondContact NE2-O 3.28Å; L564-L703 HydrophobicContact CD2-CD2 3.91Å; F565-L703 HydrophobicContact CE1-CB 3.98Å; F565-L703 HydrophobicContact CZ-CB 4.05Å; F565-L703 VanDerWaalsContact CZ-O 3.23Å; F565-L703 WeakPolarHBondContact CZ-O 3.38Å; L568-L703 HydrophobicContact CD1-CD1 4.21Å; L697-L703 HydrophobicContact CG-CD1 4.48Å; L697-L703 WeakPolarHBondContact O-CD1 3.48Å; D700-L703 WeakPolarHBondContact O-CB 3.24Å; D700-L703 PolarHBondContact O-N 3.31Å; A701-L703 PolarHBondContact O-N 3.35Å; L703-I705 VanDerWaalsContact C-N 3.34Å; L703-Y743 HydrophobicContact CD2-CD1 3.88Å; L703-Y743 HydrophobicContact CD2-CE1 3.93Å; L703-Y743 HydrophobicContact CG-CD1 4.32Å; L703-Y743 HydrophobicContact CG-CE1 4.09Å |
| 704 | L | 83.6 | Confident | 65.2 | Low | 21 Ų | 21 | 70.8 Ų | 70.8 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -30.3 | 177 | -69.5 | 175.5 | 0 | 0 | 0 | 112 | I227 L236 V240 V306 F309 Q561 F565 A701 R702 K706 | I227-L704 HydrophobicContact CG2-CD1 3.74Å; L236-L704 HydrophobicContact CD1-CD1 3.99Å; L236-L704 HydrophobicContact CD2-CB 4.25Å; L236-L704 HydrophobicContact CD2-CD1 4.27Å; L236-L704 HydrophobicContact CG-CD1 4.43Å; V240-L704 HydrophobicContact CG2-CD1 4.48Å; V306-L704 HydrophobicContact CB-CD2 4.46Å; V306-L704 HydrophobicContact CG2-CD1 4.22Å; V306-L704 HydrophobicContact CG2-CD2 3.74Å; F309-L704 HydrophobicContact CB-CD2 3.61Å; F309-L704 HydrophobicContact CB-CG 4.5Å; F309-L704 HydrophobicContact CD1-CD1 3.83Å; F309-L704 HydrophobicContact CD1-CD2 3.94Å; F309-L704 HydrophobicContact CD1-CG 4.01Å; F309-L704 HydrophobicContact CD2-CD2 4.08Å; F309-L704 HydrophobicContact CD2-CG 4.14Å; F309-L704 HydrophobicContact CE1-CD1 3.8Å; F309-L704 HydrophobicContact CE1-CG 4.16Å; F309-L704 HydrophobicContact CE2-CG 4.28Å; F309-L704 HydrophobicContact CG-CD1 4.32Å; F309-L704 HydrophobicContact CG-CD2 3.64Å; F309-L704 HydrophobicContact CG-CG 3.99Å; F309-L704 HydrophobicContact CZ-CD1 4.27Å; F309-L704 HydrophobicContact CZ-CG 4.28Å; Q561-L704 PolarHBondContact NE2-O 3Å; F565-L704 HydrophobicContact CZ-CD2 4.15Å; A701-L704 PolarHBondContact O-N 3.3Å; R702-L704 VanDerWaalsContact C-N 3.28Å; R702-L704 PolarHBondContact O-N 3.45Å; L704-K706 PolarHBondContact O-N 3.06Å |
| 705 | I | 79.2 | Confident | 62.5 | Low | 37 Ų | 37 | 74.1 Ų | 74.1 | 19% | 0.19 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -70.5 | 125.9 | 177.8 | -52.3 | 179 | 0 | 0 | 0 | 108.8 | Q233 L236 R702 L703 Y708 | Q233-I705 HydrophobicContact CB-CD1 4.11Å; Q233-I705 HydrophobicContact CG-CD1 4.02Å; L236-I705 HydrophobicContact CD2-CG1 4.41Å; R702-I705 PolarHBondContact O-N 2.98Å; L703-I705 VanDerWaalsContact C-N 3.34Å; I705-Y708 HydrophobicContact CG2-CE2 3.58Å |
| 706 | K | 70.8 | Confident | 59.8 | Low | 154 Ų | 154 | 81.4 Ų | 81.4 | 67% | 0.67 | 41% | 0.41 | S | S | * | . | trans | -58.2 | 133 | 176.5 | -80.2 | -179.8 | 175.9 | -177 | 0 | 110.2 | Q561 L704 Y708 | Q561-K706 VanDerWaalsContact OE1-CG 3.3Å; L704-K706 PolarHBondContact O-N 3.06Å; K706-Y708 PolarHBondContact O-N 3.49Å | ||
| 707 | P | 62.3 | Low | 57.2 | Low | 15 Ų | 15 | 83.9 Ų | 83.9 | 10% | 0.097 | 42% | 0.419 | C | S | . | . | trans | -65.7 | 110.7 | -178.3 | 25.5 | -33.6 | 0 | 0 | 0 | 111 | S559 S709 | S559-P707 WeakPolarHBondContact OG-CG 3.3Å; P707-S709 PolarHBondContact O-N 2.86Å; P707-S709 VanDerWaalsContact O-N 3.11Å | ||
| 708 | Y | 53.5 | Low | 54.5 | Low | 161 Ų | 161 | 89.3 Ų | 89.3 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | trans | -65.3 | 107.1 | -179.4 | -60.4 | -80.9 | 0 | 0 | 0 | 111.9 | I705 K706 R744 N747 | I705-Y708 HydrophobicContact CG2-CE2 3.58Å; K706-Y708 PolarHBondContact O-N 3.49Å; Y708-R744 PolarHBondContact O-NE 2.55Å; Y708-N747 PolarHBondContact O-OD1 3.34Å | ||
| 709 | S | 44.6 | Very low | 51.7 | Low | 61 Ų | 61 | 98.7 Ų | 98.7 | 43% | 0.427 | 49% | 0.493 | S | S | . | . | trans | -86.1 | 105.8 | 164.4 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | P707 F711 | P707-S709 PolarHBondContact O-N 2.86Å; P707-S709 VanDerWaalsContact O-N 3.11Å; S709-F711 VanDerWaalsContact C-N 3.27Å; S709-F711 PolarHBondContact O-N 3.27Å | ||
| 710 | S | 37.6 | Very low | 49 | Very low | 71 Ų | 71 | 103.8 Ų | 103.8 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | trans | -82.8 | 66.8 | -177.7 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | R744 N747 | S710-R744 PolarHBondContact OG-NH2 3.21Å; S710-R744 VanDerWaalsContact OG-NH2 3.1Å; S710-N747 PolarHBondContact OG-OD1 2.88Å | ||
| 711 | F | 27.5 | Very low | 46.3 | Very low | 151 Ų | 151 | 108.1 Ų | 108.1 | 66% | 0.662 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -142.1 | 120.1 | 166.8 | -91.3 | -79.6 | 0 | 0 | 0 | 110.4 | S709 | S709-F711 VanDerWaalsContact C-N 3.27Å; S709-F711 PolarHBondContact O-N 3.27Å |
| 712 | L | 27.3 | Very low | 43.7 | Very low | 157 Ų | 157 | 113.7 Ų | 113.7 | 82% | 0.822 | 58% | 0.58 | S | S | * | * | trans | 50.8 | 78 | 176.5 | -79.3 | 75.6 | 0 | 0 | 0 | 115.9 | ||||
| 713 | E | 24.3 | Very low | 41.1 | Very low | 196 Ų | 196 | 119 Ų | 119 | 92% | 0.916 | 61% | 0.612 | S | S | * | * | -116.5 | 111.1 | 109.5 | -83.7 | -178.8 | 159 | 0 | 0 | 107.3 | S715 | E713-S715 PolarHBondContact O-N 3.19Š| |||
| 714 | Q | 25.8 | Very low | 38.4 | Very low | 183 Ų | 183 | 123 Ų | 123 | 86% | 0.855 | 65% | 0.646 | S | S | * | * | trans | -72.2 | 111.6 | 150.9 | -79.7 | -177.3 | -22.2 | 0 | 0 | 104.8 | E716 | Q714-E716 PolarHBondContact O-N 3.42Å; Q714-E716 VanDerWaalsContact O-N 3.09Å | ||
| 715 | S | 25.8 | Very low | 35.6 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | trans | -58.4 | 116.3 | 163.9 | 50.7 | 0 | 0 | 0 | 0 | 107.4 | E713 I717 | E713-S715 PolarHBondContact O-N 3.19Å; S715-I717 PolarHBondContact O-N 2.97Å | ||
| 716 | E | 24.2 | Very low | 33.2 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | trans | -62.9 | 92.1 | 160.4 | -71.7 | -167.4 | 128.2 | 0 | 0 | 106.8 | Q714 T718 | Q714-E716 PolarHBondContact O-N 3.42Å; Q714-E716 VanDerWaalsContact O-N 3.09Å; E716-T718 PolarHBondContact O-N 2.81Å | ||
| 717 | I | 27.7 | Very low | 31 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 70% | 0.703 | 71% | 0.708 | S | S | * | * | trans | -70.8 | 87.4 | 170.7 | -60.2 | 176.4 | 0 | 0 | 0 | 105.9 | S715 K719 | S715-I717 PolarHBondContact O-N 2.97Å; I717-K719 PolarHBondContact O-N 3.18Å | ||
| 718 | T | 27.4 | Very low | 29.2 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -50.8 | 124.7 | 160.5 | 35.5 | 0 | 0 | 0 | 0 | 107.8 | E716 D720 | E716-T718 PolarHBondContact O-N 2.81Å; T718-D720 VanDerWaalsContact C-N 3.32Å; T718-D720 PolarHBondContact O-N 2.96Å | ||
| 719 | K | 26.2 | Very low | 27.8 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | -79 | 80.8 | -172.7 | -63.9 | 174.5 | -176.3 | 171.2 | 0 | 110.2 | I717 | I717-K719 PolarHBondContact O-N 3.18Š| ||
| 720 | D | 28.7 | Very low | 27 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -110 | 141.6 | 165.5 | -87.7 | -58.9 | 0 | 0 | 0 | 112.1 | T718 | T718-D720 VanDerWaalsContact C-N 3.32Å; T718-D720 PolarHBondContact O-N 2.96Å | ||
| 721 | T | 26.8 | Very low | 26.4 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -119 | 112.6 | -161.6 | -59.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 722 | T | 28.9 | Very low | 26.3 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -175.1 | 131 | 132.6 | 24.8 | 0 | 0 | 0 | 0 | 112.9 | A724 | T722-A724 PolarHBondContact O-N 3.07Š| ||
| 723 | N | 26.9 | Very low | 26.2 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | 33.9 | 76.2 | 139.1 | -57.3 | -7.9 | 0 | 0 | 0 | 119.1 | ||||
| 724 | A | 26.5 | Very low | 26.3 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -114.5 | 123.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | T722 I726 | T722-A724 PolarHBondContact O-N 3.07Å; A724-I726 PolarHBondContact O-N 2.99Å; A724-I726 VanDerWaalsContact O-N 3.11Å | ||
| 725 | I | 26 | Very low | 26.3 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | trans | -73.9 | 104.3 | 175.8 | -64.4 | 171.5 | 0 | 0 | 0 | 107.6 | S727 | I725-S727 PolarHBondContact O-N 3.34Š| ||
| 726 | I | 27.7 | Very low | 26.8 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | trans | -70.5 | 97.7 | 177.9 | -59 | 177.5 | 0 | 0 | 0 | 108.6 | A724 S728 | A724-I726 PolarHBondContact O-N 2.99Å; A724-I726 VanDerWaalsContact O-N 3.11Å; I726-S728 PolarHBondContact O-N 3.28Å; I726-S728 VanDerWaalsContact O-N 3.11Å | ||
| 727 | S | 24.8 | Very low | 28 | Very low | 89 Ų | 89 | 128 Ų | 128 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | trans | -60.3 | 111.8 | 160.3 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | I725 N729 | I725-S727 PolarHBondContact O-N 3.34Å; S727-N729 PolarHBondContact O-N 3.18Å | ||
| 728 | S | 25.3 | Very low | 28.9 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | trans | -77 | 68.8 | -177.5 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | I726 K730 | I726-S728 PolarHBondContact O-N 3.28Å; I726-S728 VanDerWaalsContact O-N 3.11Å; S728-K730 PolarHBondContact O-N 2.88Å | ||
| 729 | N | 24.4 | Very low | 30 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 78% | 0.775 | 66% | 0.664 | S | S | * | * | trans | -58.5 | 91 | 164.1 | -82.4 | -13.1 | 0 | 0 | 0 | 108.1 | S727 M731 | S727-N729 PolarHBondContact O-N 3.18Å; N729-M731 PolarHBondContact O-N 3.26Å | ||
| 730 | K | 26.9 | Very low | 31.5 | Very low | 197 Ų | 197 | 116.7 Ų | 116.7 | 86% | 0.857 | 64% | 0.638 | S | S | * | * | trans | -58 | 93.6 | 164.7 | -83.6 | -177.8 | 173.3 | 176.6 | 0 | 106.9 | S728 Q732 | S728-K730 PolarHBondContact O-N 2.88Å; K730-Q732 PolarHBondContact O-N 3.45Å | ||
| 731 | M | 25.7 | Very low | 33 | Very low | 181 Ų | 181 | 111.5 Ų | 111.5 | 89% | 0.892 | 61% | 0.61 | S | S | * | * | trans | -59.7 | 105.6 | 173.9 | -170 | 164.3 | 69.6 | 0 | 0 | 106.9 | N729 M733 | N729-M731 PolarHBondContact O-N 3.26Å; M731-M733 PolarHBondContact O-N 3.12Å | ||
| 732 | Q | 25.4 | Very low | 34.8 | Very low | 168 Ų | 168 | 106.9 Ų | 106.9 | 79% | 0.785 | 58% | 0.58 | S | S | * | * | trans | -72.5 | 98.4 | -166.8 | -166.9 | 172.6 | 17.7 | 0 | 0 | 107.5 | K730 L734 | K730-Q732 PolarHBondContact O-N 3.45Å; Q732-L734 VanDerWaalsContact C-N 3.29Å; Q732-L734 PolarHBondContact O-N 2.89Å | ||
| 733 | M | 24.1 | Very low | 36.6 | Very low | 136 Ų | 136 | 102 Ų | 102 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | trans | -60.8 | 96.3 | 172.7 | -95.2 | -166.1 | 70.8 | 0 | 0 | 108.7 | M731 T735 | M731-M733 PolarHBondContact O-N 3.12Å; M733-T735 PolarHBondContact O-N 3Å | ||
| 734 | L | 27.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 98.7 Ų | 98.7 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | trans | -60.7 | 116.7 | 165.6 | -75.2 | 163.2 | 0 | 0 | 0 | 106.6 | Q732 C736 | Q732-L734 VanDerWaalsContact C-N 3.29Å; Q732-L734 PolarHBondContact O-N 2.89Å; L734-C736 PolarHBondContact O-N 3.42Å | ||
| 735 | T | 26.8 | Very low | 41.1 | Very low | 44 Ų | 44 | 95.2 Ų | 95.2 | 27% | 0.27 | 49% | 0.493 | S | S | . | . | trans | -84.3 | 49.5 | -150.7 | 8.8 | 0 | 0 | 0 | 0 | 112.7 | M733 N737 L922 F923 | M733-T735 PolarHBondContact O-N 3Å; T735-N737 VanDerWaalsContact C-N 3.3Å; T735-N737 PolarHBondContact O-N 3.48Å; T735-L922 HydrophobicContact CG2-CB 4.44Å; T735-L922 WeakPolarHBondContact OG1-CB 3.42Å; T735-L922 WeakPolarHBondContact OG1-CD1 3.46Å; T735-F923 WeakPolarHBondContact O-CD2 3.44Å | ||
| 736 | C | 36.4 | Very low | 43.5 | Very low | 27 Ų | 27 | 88 Ų | 88 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | trans | -91.8 | 51.7 | -171.3 | -148.6 | 0 | 0 | 0 | 0 | 112.7 | L734 D738 M739 D740 F923 | L734-C736 PolarHBondContact O-N 3.42Å; C736-D738 PolarHBondContact O-N 3.15Å; C736-D738 VanDerWaalsContact O-N 3.08Å; C736-M739 PolarHBondContact O-N 2.88Å; C736-D740 PolarHBondContact O-N 3.28Å; C736-D740 VanDerWaalsContact O-N 3.15Å; C736-F923 HydrophobicContact CB-CD2 3.73Å; C736-F923 HydrophobicContact CB-CE2 3.48Å; C736-F923 VanDerWaalsContact CB-CE2 3.48Å; C736-F923 HydrophobicContact CB-CZ 4.15Å | ||
| 737 | N | 48.2 | Very low | 45.8 | Very low | 41 Ų | 41 | 82.1 Ų | 82.1 | 22% | 0.219 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -51.1 | -37.8 | -170.3 | -65.1 | 4.3 | 0 | 0 | 0 | 113.8 | T735 P919 | T735-N737 VanDerWaalsContact C-N 3.3Å; T735-N737 PolarHBondContact O-N 3.48Å; N737-P919 PolarHBondContact ND2-O 3.03Å |
| 738 | D | 46.4 | Very low | 48.5 | Very low | 98 Ų | 98 | 81.2 Ų | 81.2 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.8 | -30.6 | 179.6 | -75.7 | -55.5 | 0 | 0 | 0 | 114.3 | R686 C736 | R686-D738 IonicContact NE-OD1 3.27Å; R686-D738 PolarHBondContact NH2-O 3.05Å; C736-D738 PolarHBondContact O-N 3.15Å; C736-D738 VanDerWaalsContact O-N 3.08Å |
| 739 | M | 50.5 | Low | 51.2 | Low | 59 Ų | 59 | 83.4 Ų | 83.4 | 29% | 0.291 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -86.2 | -36.6 | -179.9 | -71 | -63.9 | -69.1 | 0 | 0 | 111.9 | C736 L741 I742 Y743 | C736-M739 PolarHBondContact O-N 2.88Å; M739-L741 PolarHBondContact O-N 3.27Å; M739-I742 HydrophobicContact CE-CD1 3.89Å; M739-I742 WeakPolarHBondContact O-CB 3.04Å; M739-I742 WeakPolarHBondContact O-CG1 3.3Å; M739-I742 PolarHBondContact O-N 3.48Å; M739-I742 HydrophobicContact SD-CD1 3.67Å; M739-Y743 HydrophobicContact CB-CE2 4.48Å; M739-Y743 HydrophobicContact CE-CE2 4.21Å; M739-Y743 WeakPolarHBondContact O-CD2 3.45Å; M739-Y743 WeakPolarHBondContact O-CE2 3.36Å |
| 740 | D | 57.5 | Low | 53.9 | Low | 56 Ų | 56 | 80.1 Ų | 80.1 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.6 | -26.3 | -179.8 | -77 | -18.2 | 0 | 0 | 0 | 112.7 | R702 C736 I742 Y743 R744 | R702-D740 IonicContact CZ-OD1 3.56Å; R702-D740 IonicContact NH1-OD1 2.79Å; R702-D740 PolarHBondContact NH1-OD1 3.23Å; C736-D740 PolarHBondContact O-N 3.28Å; C736-D740 VanDerWaalsContact O-N 3.15Å; D740-I742 PolarHBondContact O-N 2.9Å; D740-Y743 PolarHBondContact O-N 3.31Å; D740-Y743 VanDerWaalsContact O-N 3.13Å; D740-R744 WeakPolarHBondContact O-CB 3.32Å; D740-R744 PolarHBondContact O-N 3.25Å |
| 741 | L | 61.3 | Low | 56.6 | Low | 47 Ų | 47 | 72.7 Ų | 72.7 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.9 | -14.5 | 168.5 | -83.2 | 163.2 | 0 | 0 | 0 | 114.9 | M739 E751 | M739-L741 PolarHBondContact O-N 3.27Å; L741-E751 HydrophobicContact CD2-CG 4.2Å |
| 742 | I | 65.1 | Low | 59.5 | Low | 26 Ų | 26 | 67.1 Ų | 67.1 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -80.9 | -42.6 | 171.5 | -58.9 | -178.8 | 0 | 0 | 0 | 109.6 | I625 L697 M739 D740 | I625-I742 HydrophobicContact CB-CG2 3.74Å; I625-I742 HydrophobicContact CD1-CG2 4.07Å; I625-I742 HydrophobicContact CG1-CG2 3.72Å; I625-I742 HydrophobicContact CG2-CG2 4.08Å; I625-I742 VanDerWaalsContact CG2-O 3.27Å; I625-I742 WeakPolarHBondContact CG2-O 3.22Å; L697-I742 HydrophobicContact CD1-CG2 4.26Å; M739-I742 HydrophobicContact CE-CD1 3.89Å; M739-I742 WeakPolarHBondContact O-CB 3.04Å; M739-I742 WeakPolarHBondContact O-CG1 3.3Å; M739-I742 PolarHBondContact O-N 3.48Å; M739-I742 HydrophobicContact SD-CD1 3.67Å; D740-I742 PolarHBondContact O-N 2.9Å |
| 743 | Y | 66.2 | Low | 62.5 | Low | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -88.3 | -30.4 | -171.1 | -56 | -83.1 | 0 | 0 | 0 | 113.1 | R623 L697 D700 R702 L703 M739 D740 | R623-Y743 WeakPolarHBondContact CD-O 3.29Å; R623-Y743 PolarHBondContact NH1-O 2.72Å; L697-Y743 HydrophobicContact CD1-CE1 4.47Å; D700-Y743 HydrophobicContact CB-CE1 4.04Å; D700-Y743 PolarHBondContact OD2-OH 3.12Å; R702-Y743 HydrophobicContact CB-CD1 3.88Å; R702-Y743 HydrophobicContact CB-CE1 4.3Å; R702-Y743 HydrophobicContact CB-CG 4.2Å; R702-Y743 VanDerWaalsContact CZ-CE2 3.47Å; R702-Y743 VanDerWaalsContact NH2-CE2 3.26Å; L703-Y743 HydrophobicContact CD2-CD1 3.88Å; L703-Y743 HydrophobicContact CD2-CE1 3.93Å; L703-Y743 HydrophobicContact CG-CD1 4.32Å; L703-Y743 HydrophobicContact CG-CE1 4.09Å; M739-Y743 HydrophobicContact CB-CE2 4.48Å; M739-Y743 HydrophobicContact CE-CE2 4.21Å; M739-Y743 WeakPolarHBondContact O-CD2 3.45Å; M739-Y743 WeakPolarHBondContact O-CE2 3.36Å; D740-Y743 PolarHBondContact O-N 3.31Å; D740-Y743 VanDerWaalsContact O-N 3.13Å |
| 744 | R | 72.1 | Confident | 65.5 | Low | 96 Ų | 96 | 54 Ų | 54 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -105.6 | 156.7 | -173.9 | -159.2 | 173.8 | 171.1 | 173.9 | -11.4 | 112.9 | Y708 S710 D740 N747 | Y708-R744 PolarHBondContact O-NE 2.55Å; S710-R744 PolarHBondContact OG-NH2 3.21Å; S710-R744 VanDerWaalsContact OG-NH2 3.1Å; D740-R744 WeakPolarHBondContact O-CB 3.32Å; D740-R744 PolarHBondContact O-N 3.25Å; R744-N747 VanDerWaalsContact CZ-OD1 3.3Å; R744-N747 PolarHBondContact NE-ND2 2.93Å; R744-N747 PolarHBondContact NE-OD1 3.44Å; R744-N747 PolarHBondContact NH2-OD1 3.27Å |
| 745 | L | 74.4 | Confident | 68.4 | Low | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | trans | -77.6 | 157.7 | 167.8 | -72.3 | 167.7 | 0 | 0 | 0 | 111 | R621 R623 N747 | R621-L745 HydrophobicContact CB-CD1 4.37Å; R621-L745 WeakPolarHBondContact O-CD2 3.29Å; R623-L745 HydrophobicContact CG-CD2 3.75Å; R623-L745 HydrophobicContact CG-CG 4.19Å; L745-N747 PolarHBondContact O-ND2 3.42Å | ||
| 746 | P | 77.5 | Confident | 71.6 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | trans | -54.9 | 140.6 | 169.3 | -28.2 | 37.3 | 0 | 0 | 0 | 113.4 | E751 R755 | P746-E751 WeakPolarHBondContact CA-OE2 3.34Å; P746-E751 HydrophobicContact CB-CB 3.68Å; P746-E751 HydrophobicContact CG-CB 4.38Å; P746-R755 HydrophobicContact CG-CB 3.98Å; P746-R755 HydrophobicContact CG-CG 4.4Å | ||
| 747 | N | 74.8 | Confident | 74.2 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | trans | -124.7 | -10.5 | -176.9 | -48.7 | -91.1 | 0 | 0 | 0 | 112.6 | Y708 S710 R744 L745 E751 | Y708-N747 PolarHBondContact O-OD1 3.34Å; S710-N747 PolarHBondContact OG-OD1 2.88Å; R744-N747 VanDerWaalsContact CZ-OD1 3.3Å; R744-N747 PolarHBondContact NE-ND2 2.93Å; R744-N747 PolarHBondContact NE-OD1 3.44Å; R744-N747 PolarHBondContact NH2-OD1 3.27Å; L745-N747 PolarHBondContact O-ND2 3.42Å; N747-E751 PolarHBondContact N-OE2 3.13Å; N747-E751 PolarHBondContact ND2-OE2 2.99Å | ||
| 748 | N | 81.5 | Confident | 76.2 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -141.4 | 164.3 | 176.3 | 60.6 | 59.6 | 0 | 0 | 0 | 110.7 | R750 E751 H752 | N748-R750 VanDerWaalsContact C-N 3.26Å; N748-R750 PolarHBondContact O-N 3.43Å; N748-R750 WeakPolarHBondContact OD1-CB 3.43Å; N748-R750 PolarHBondContact OD1-N 2.92Å; N748-E751 PolarHBondContact ND2-OE1 2.65Å; N748-E751 PolarHBondContact O-N 3.02Å; N748-E751 VanDerWaalsContact O-N 3.12Å; N748-E751 WeakPolarHBondContact OD1-CG 3.49Å; N748-E751 PolarHBondContact OD1-N 2.86Å; N748-H752 PolarHBondContact O-CD2 3.46Å; N748-H752 PolarHBondContact O-N 3.27Å; N748-H752 VanDerWaalsContact O-N 3.1Å |
| 749 | E | 82.2 | Confident | 78.4 | Confident | 152 Ų | 152 | 39.6 Ų | 39.6 | 71% | 0.71 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -54.7 | -40.3 | -176.9 | -174.8 | 167.8 | -145.4 | 0 | 0 | 112.8 | E751 H752 V753 | E749-E751 PolarHBondContact O-N 3.17Å; E749-H752 WeakPolarHBondContact O-CB 3.49Å; E749-H752 PolarHBondContact O-N 3.13Å; E749-H752 VanDerWaalsContact O-N 3.14Å; E749-V753 WeakPolarHBondContact O-CG2 3.23Å; E749-V753 PolarHBondContact O-N 2.98Å |
| 750 | R | 81.9 | Confident | 80.6 | Confident | 76 Ų | 76 | 36.9 Ų | 36.9 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 177 | -168 | -169.7 | -163.3 | 113.1 | 39.5 | 112.2 | L679 N748 H752 V753 Q754 N916 S917 | L679-R750 HydrophobicContact CD1-CG 4.2Å; L679-R750 HydrophobicContact CD2-CG 4.09Å; N748-R750 VanDerWaalsContact C-N 3.26Å; N748-R750 PolarHBondContact O-N 3.43Å; N748-R750 WeakPolarHBondContact OD1-CB 3.43Å; N748-R750 PolarHBondContact OD1-N 2.92Å; R750-H752 VanDerWaalsContact C-N 3.28Å; R750-H752 PolarHBondContact O-N 3.41Å; R750-V753 PolarHBondContact O-N 3.26Å; R750-Q754 WeakPolarHBondContact O-CG 3.3Å; R750-Q754 PolarHBondContact O-N 2.72Å; R750-N916 PolarHBondContact NH1-O 2.84Å; R750-N916 PolarHBondContact NH2-O 3.34Å; R750-S917 VanDerWaalsContact CZ-CA 3.47Å; R750-S917 PolarHBondContact NE-O 3.27Å |
| 751 | E | 82.8 | Confident | 82.3 | Confident | 42 Ų | 42 | 34.2 Ų | 34.2 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -31.8 | 177.5 | -69.2 | 166.5 | -156.8 | 0 | 0 | 111.7 | L741 P746 N747 N748 E749 R755 | L741-E751 HydrophobicContact CD2-CG 4.2Å; P746-E751 WeakPolarHBondContact CA-OE2 3.34Å; P746-E751 HydrophobicContact CB-CB 3.68Å; P746-E751 HydrophobicContact CG-CB 4.38Å; N747-E751 PolarHBondContact N-OE2 3.13Å; N747-E751 PolarHBondContact ND2-OE2 2.99Å; N748-E751 PolarHBondContact ND2-OE1 2.65Å; N748-E751 PolarHBondContact O-N 3.02Å; N748-E751 VanDerWaalsContact O-N 3.12Å; N748-E751 WeakPolarHBondContact OD1-CG 3.49Å; N748-E751 PolarHBondContact OD1-N 2.86Å; E749-E751 PolarHBondContact O-N 3.17Å; E751-R755 WeakPolarHBondContact O-CB 3.42Å; E751-R755 PolarHBondContact O-N 2.98Å |
| 752 | H | 86.4 | Confident | 83.8 | Confident | 64 Ų | 64 | 32 Ų | 32 | 30% | 0.296 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.7 | -43 | 171.8 | -73.5 | -74.1 | 0 | 0 | 0 | 112.1 | N748 E749 R750 R755 A756 | N748-H752 PolarHBondContact O-CD2 3.46Å; N748-H752 PolarHBondContact O-N 3.27Å; N748-H752 VanDerWaalsContact O-N 3.1Å; E749-H752 WeakPolarHBondContact O-CB 3.49Å; E749-H752 PolarHBondContact O-N 3.13Å; E749-H752 VanDerWaalsContact O-N 3.14Å; R750-H752 VanDerWaalsContact C-N 3.28Å; R750-H752 PolarHBondContact O-N 3.41Å; H752-R755 PolarHBondContact O-N 3.02Å; H752-A756 WeakPolarHBondContact O-CB 3.42Å; H752-A756 PolarHBondContact O-N 3.47Å |
| 753 | V | 88.7 | Confident | 85.2 | Confident | 15 Ų | 15 | 30.8 Ų | 30.8 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | Y669 F676 L679 E749 R750 R755 A756 I757 | Y669-V753 HydrophobicContact CD1-CG2 3.65Å; Y669-V753 HydrophobicContact CE1-CG2 4.21Å; Y669-V753 HydrophobicContact CG-CG2 3.84Å; F676-V753 HydrophobicContact CD2-CG1 4.25Å; F676-V753 HydrophobicContact CE2-CG1 4.2Å; L679-V753 HydrophobicContact CD1-CB 4.25Å; L679-V753 HydrophobicContact CD1-CG1 3.85Å; E749-V753 WeakPolarHBondContact O-CG2 3.23Å; E749-V753 PolarHBondContact O-N 2.98Å; R750-V753 PolarHBondContact O-N 3.26Å; V753-R755 PolarHBondContact O-N 2.81Å; V753-A756 PolarHBondContact O-N 3.14Å; V753-I757 HydrophobicContact CG1-CD1 3.8Å; V753-I757 HydrophobicContact CG1-CG1 4.39Å; V753-I757 VanDerWaalsContact O-CG1 3.31Å; V753-I757 WeakPolarHBondContact O-CG1 3.17Å; V753-I757 PolarHBondContact O-N 3.47Å |
| 754 | Q | 87.6 | Confident | 86.5 | Confident | 12 Ų | 12 | 30.2 Ų | 30.2 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 175.5 | -74.3 | 176.4 | -97.5 | 0 | 0 | 112.2 | L679 E683 R750 I757 G758 | L679-Q754 HydrophobicContact CD2-CG 3.65Å; E683-Q754 HydrophobicContact CG-CB 4.08Å; E683-Q754 HydrophobicContact CG-CG 4.2Å; E683-Q754 PolarHBondContact OE1-NE2 3.32Å; R750-Q754 WeakPolarHBondContact O-CG 3.3Å; R750-Q754 PolarHBondContact O-N 2.72Å; Q754-I757 PolarHBondContact O-N 3.28Å; Q754-G758 PolarHBondContact O-N 3.39Å |
| 755 | R | 88.8 | Confident | 87.5 | Confident | 25 Ų | 25 | 25.7 Ų | 25.7 | 9% | 0.094 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 174.4 | -179.6 | -175 | 176.4 | -75.9 | -6.3 | 111.8 | A615 S620 I622 P746 E751 H752 V753 G758 I759 | A615-R755 PolarHBondContact O-NH1 3.39Å; A615-R755 PolarHBondContact O-NH2 3.37Å; S620-R755 VanDerWaalsContact O-CZ 3.28Å; S620-R755 PolarHBondContact O-NE 3.26Å; S620-R755 PolarHBondContact O-NH2 3.47Å; S620-R755 PolarHBondContact OG-NH2 3.26Å; I622-R755 VanDerWaalsContact O-CZ 3.27Å; I622-R755 PolarHBondContact O-NE 3.16Å; I622-R755 PolarHBondContact O-NH2 3.28Å; P746-R755 HydrophobicContact CG-CB 3.98Å; P746-R755 HydrophobicContact CG-CG 4.4Å; E751-R755 WeakPolarHBondContact O-CB 3.42Å; E751-R755 PolarHBondContact O-N 2.98Å; H752-R755 PolarHBondContact O-N 3.02Å; V753-R755 PolarHBondContact O-N 2.81Å; R755-G758 PolarHBondContact O-N 3.2Å; R755-I759 HydrophobicContact CG-CD1 3.77Å; R755-I759 HydrophobicContact CG-CG1 4.43Å; R755-I759 VanDerWaalsContact NH2-CD1 3.29Å; R755-I759 WeakPolarHBondContact O-CG1 3.35Å; R755-I759 PolarHBondContact O-N 3.22Å |
| 756 | A | 92.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 25.2 Ų | 25.2 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V665 L666 Y669 H752 V753 Y760 | V665-A756 HydrophobicContact CG1-CB 4.34Å; L666-A756 HydrophobicContact CD1-CB 4.38Å; Y669-A756 HydrophobicContact CD2-CB 3.99Å; Y669-A756 HydrophobicContact CE2-CB 4.12Å; H752-A756 WeakPolarHBondContact O-CB 3.42Å; H752-A756 PolarHBondContact O-N 3.47Å; V753-A756 PolarHBondContact O-N 3.14Å; A756-Y760 WeakPolarHBondContact O-CB 3.27Å; A756-Y760 PolarHBondContact O-N 3.13Å |
| 757 | I | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.5 | -51.3 | 172.5 | -67.4 | 165.8 | 0 | 0 | 0 | 110.4 | L666 F676 L679 F680 E683 V753 Q754 I759 Y760 L761 | L666-I757 HydrophobicContact CD1-CB 4.44Å; L666-I757 HydrophobicContact CD1-CG1 3.49Å; L666-I757 VanDerWaalsContact CD1-CG1 3.49Å; L666-I757 HydrophobicContact CD2-CG1 4.42Å; F676-I757 HydrophobicContact CE2-CD1 4.46Å; L679-I757 HydrophobicContact CB-CD1 3.83Å; F680-I757 HydrophobicContact CB-CD1 4.43Å; F680-I757 HydrophobicContact CD2-CG1 4.46Å; F680-I757 HydrophobicContact CD2-CG2 3.9Å; F680-I757 HydrophobicContact CE2-CG2 4.48Å; F680-I757 HydrophobicContact CG-CG2 4.49Å; E683-I757 HydrophobicContact CB-CB 4.42Å; E683-I757 HydrophobicContact CB-CG2 3.67Å; E683-I757 HydrophobicContact CG-CB 4.4Å; E683-I757 HydrophobicContact CG-CG2 4.13Å; V753-I757 HydrophobicContact CG1-CD1 3.8Å; V753-I757 HydrophobicContact CG1-CG1 4.39Å; V753-I757 VanDerWaalsContact O-CG1 3.31Å; V753-I757 WeakPolarHBondContact O-CG1 3.17Å; V753-I757 PolarHBondContact O-N 3.47Å; Q754-I757 PolarHBondContact O-N 3.28Å; I757-I759 PolarHBondContact O-N 2.71Å; I757-Y760 PolarHBondContact O-N 3.05Å; I757-L761 HydrophobicContact CG2-CD1 3.77Å; I757-L761 HydrophobicContact CG2-CG 4.35Å; I757-L761 WeakPolarHBondContact O-CB 3.45Å; I757-L761 WeakPolarHBondContact O-CG 3.47Å; I757-L761 PolarHBondContact O-N 2.94Å |
| 758 | G | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | I687 Q754 R755 L761 L762 | I687-G758 WeakPolarHBondContact CD1-O 3.47Å; Q754-G758 PolarHBondContact O-N 3.39Å; R755-G758 PolarHBondContact O-N 3.2Å; G758-L761 PolarHBondContact O-N 2.65Å; G758-L762 WeakPolarHBondContact O-CB 3.49Å; G758-L762 VanDerWaalsContact O-CG 3.3Å; G758-L762 WeakPolarHBondContact O-CG 3.46Å; G758-L762 PolarHBondContact O-N 2.95Å |
| 759 | I | 93 | Very high | 90.3 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69 | -45.4 | 179.5 | -69.3 | 174.1 | 0 | 0 | 0 | 111.1 | A615 L624 V627 R755 I757 L761 L762 V763 | A615-I759 HydrophobicContact CB-CD1 4.15Å; A615-I759 WeakPolarHBondContact O-CD1 3.28Å; L624-I759 HydrophobicContact CD1-CG1 3.76Å; V627-I759 HydrophobicContact CG2-CD1 4.3Å; V627-I759 HydrophobicContact CG2-CG1 4.32Å; R755-I759 HydrophobicContact CG-CD1 3.77Å; R755-I759 HydrophobicContact CG-CG1 4.43Å; R755-I759 VanDerWaalsContact NH2-CD1 3.29Å; R755-I759 WeakPolarHBondContact O-CG1 3.35Å; R755-I759 PolarHBondContact O-N 3.22Å; I757-I759 PolarHBondContact O-N 2.71Å; I759-L761 VanDerWaalsContact C-N 3.34Å; I759-L761 PolarHBondContact O-N 3.3Å; I759-L762 PolarHBondContact O-N 2.88Å; I759-V763 HydrophobicContact CG2-CG2 4.48Å; I759-V763 WeakPolarHBondContact O-CG2 3.22Å; I759-V763 PolarHBondContact O-N 3.09Å |
| 760 | Y | 95.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.4 | -48.2 | 174.6 | 171.1 | -97.8 | 0 | 0 | 0 | 111.3 | R659 A662 M663 L666 A756 I757 L762 V763 H764 L973 L974 | R659-Y760 HydrophobicContact CG-CE2 4.3Å; A662-Y760 HydrophobicContact CB-CD2 4.31Å; M663-Y760 HydrophobicContact CB-CD2 4.04Å; M663-Y760 HydrophobicContact CB-CE2 3.83Å; M663-Y760 HydrophobicContact CG-CD2 4.46Å; M663-Y760 HydrophobicContact CG-CE2 3.91Å; L666-Y760 HydrophobicContact CD2-CD1 3.65Å; L666-Y760 HydrophobicContact CD2-CE1 4.47Å; L666-Y760 HydrophobicContact CD2-CG 3.73Å; A756-Y760 WeakPolarHBondContact O-CB 3.27Å; A756-Y760 PolarHBondContact O-N 3.13Å; I757-Y760 PolarHBondContact O-N 3.05Å; Y760-L762 PolarHBondContact O-N 2.83Å; Y760-V763 PolarHBondContact O-N 2.88Å; Y760-H764 HydrophobicContact CE1-CB 4.41Å; Y760-H764 HydrophobicContact CE2-CB 4.47Å; Y760-H764 WeakPolarHBondContact O-CB 3.46Å; Y760-H764 PolarHBondContact O-N 3.06Å; Y760-L973 HydrophobicContact CE1-CD2 4.29Å; Y760-L973 HydrophobicContact CE1-CG 4.18Å; Y760-L973 WeakPolarHBondContact OH-CD1 3.21Å; Y760-L973 WeakPolarHBondContact OH-CG 3.45Å; Y760-L973 PolarHBondContact OH-O 2.97Å; Y760-L974 HydrophobicContact CD1-CD2 4.28Å; Y760-L974 HydrophobicContact CE1-CD2 3.88Å; Y760-L974 HydrophobicContact CE2-CD2 4.14Å |
| 761 | L | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 179.3 | -74.6 | 177.6 | 0 | 0 | 0 | 112.9 | F680 L684 I687 I757 G758 I759 I765 L814 | F680-L761 HydrophobicContact CE2-CD2 4.19Å; F680-L761 HydrophobicContact CE2-CG 4.47Å; F680-L761 HydrophobicContact CZ-CD2 3.9Å; L684-L761 HydrophobicContact CB-CD1 3.95Å; L684-L761 HydrophobicContact CD1-CD1 4.14Å; L684-L761 HydrophobicContact CD1-CD2 4.29Å; I687-L761 HydrophobicContact CD1-CB 3.44Å; I687-L761 VanDerWaalsContact CD1-CB 3.44Å; I687-L761 HydrophobicContact CD1-CD1 4.15Å; I687-L761 HydrophobicContact CD1-CG 4.45Å; I757-L761 HydrophobicContact CG2-CD1 3.77Å; I757-L761 HydrophobicContact CG2-CG 4.35Å; I757-L761 WeakPolarHBondContact O-CB 3.45Å; I757-L761 WeakPolarHBondContact O-CG 3.47Å; I757-L761 PolarHBondContact O-N 2.94Å; G758-L761 PolarHBondContact O-N 2.65Å; I759-L761 VanDerWaalsContact C-N 3.34Å; I759-L761 PolarHBondContact O-N 3.3Å; L761-I765 HydrophobicContact CB-CD1 4.5Å; L761-I765 VanDerWaalsContact O-CB 3.3Å; L761-I765 WeakPolarHBondContact O-CB 3.33Å; L761-I765 WeakPolarHBondContact O-CD1 3.34Å; L761-I765 WeakPolarHBondContact O-CG1 3.33Å; L761-I765 PolarHBondContact O-N 3.46Å; L761-L814 HydrophobicContact CD2-CD2 4.02Å |
| 762 | L | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.3 | -49.3 | 176.2 | -76.1 | 178.6 | 0 | 0 | 0 | 111.9 | L624 V627 R628 I631 I687 G758 I759 Y760 W766 F805 | L624-L762 HydrophobicContact CD1-CD1 3.52Å; L624-L762 HydrophobicContact CD1-CG 4.36Å; L624-L762 HydrophobicContact CG-CD1 4.08Å; V627-L762 HydrophobicContact CB-CD1 4.3Å; V627-L762 HydrophobicContact CG1-CD1 4.15Å; R628-L762 HydrophobicContact CB-CD1 3.95Å; R628-L762 HydrophobicContact CB-CD2 4.41Å; R628-L762 HydrophobicContact CG-CD1 4.49Å; R628-L762 HydrophobicContact CG-CD2 4.05Å; I631-L762 HydrophobicContact CD1-CB 3.86Å; I687-L762 HydrophobicContact CD1-CD2 4.15Å; I687-L762 HydrophobicContact CD1-CG 3.99Å; I687-L762 HydrophobicContact CG1-CD2 4.03Å; I687-L762 HydrophobicContact CG1-CG 4.34Å; I687-L762 HydrophobicContact CG2-CD2 4.2Å; G758-L762 WeakPolarHBondContact O-CB 3.49Å; G758-L762 VanDerWaalsContact O-CG 3.3Å; G758-L762 WeakPolarHBondContact O-CG 3.46Å; G758-L762 PolarHBondContact O-N 2.95Å; I759-L762 PolarHBondContact O-N 2.88Å; Y760-L762 PolarHBondContact O-N 2.83Å; L762-W766 WeakPolarHBondContact O-CB 3.48Å; L762-W766 PolarHBondContact O-N 2.8Å; L762-F805 HydrophobicContact CD2-CD1 4.22Å; L762-F805 HydrophobicContact CD2-CE1 3.61Å; L762-F805 HydrophobicContact CD2-CE2 4.23Å; L762-F805 HydrophobicContact CD2-CZ 3.61Å |
| 763 | V | 94.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -69.9 | -42.9 | -177.6 | 178.1 | 0 | 0 | 0 | 0 | 111 | I612 I631 I655 R659 I759 Y760 L767 | I612-V763 HydrophobicContact CG2-CG2 3.69Å; I631-V763 HydrophobicContact CD1-CG2 4.36Å; I655-V763 HydrophobicContact CG2-CG1 4.19Å; R659-V763 HydrophobicContact CB-CG1 3.97Å; I759-V763 HydrophobicContact CG2-CG2 4.48Å; I759-V763 WeakPolarHBondContact O-CG2 3.22Å; I759-V763 PolarHBondContact O-N 3.09Å; Y760-V763 PolarHBondContact O-N 2.88Å; V763-L767 VanDerWaalsContact O-CB 3.29Å; V763-L767 WeakPolarHBondContact O-CB 3.4Å; V763-L767 PolarHBondContact O-N 2.84Å |
| 764 | H | 94.6 | Very high | 90 | Very high | 7 Ų | 7 | 17 Ų | 17 | 3% | 0.032 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.3 | -52.6 | 178 | -175.6 | 64 | 0 | 0 | 0 | 112.1 | R659 Y760 W766 L767 E768 P812 | R659-H764 WeakPolarHBondContact CD-ND1 3.28Å; Y760-H764 HydrophobicContact CE1-CB 4.41Å; Y760-H764 HydrophobicContact CE2-CB 4.47Å; Y760-H764 WeakPolarHBondContact O-CB 3.46Å; Y760-H764 PolarHBondContact O-N 3.06Å; H764-W766 VanDerWaalsContact C-N 3.31Å; H764-W766 PolarHBondContact O-N 3.23Å; H764-L767 PolarHBondContact O-N 3.07Å; H764-E768 VanDerWaalsContact CE1-CG 3.49Å; H764-E768 WeakPolarHBondContact CE1-CG 3.12Å; H764-E768 IonicContact CE1-OE1 2.92Å; H764-E768 PolarHBondContact CE1-OE1 2.87Å; H764-E768 IonicContact ND1-OE1 2.65Å; H764-E768 VanDerWaalsContact O-CG 3.3Å; H764-E768 WeakPolarHBondContact O-CG 3.32Å; H764-E768 PolarHBondContact O-N 3.37Å; H764-P812 PolarHBondContact NE2-O 3.42Å |
| 765 | I | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | -179.3 | -67.9 | 164.6 | 0 | 0 | 0 | 110.9 | L684 I687 L761 R769 F805 L808 L814 | L684-I765 HydrophobicContact CD1-CD1 4.38Å; I687-I765 HydrophobicContact CG2-CD1 3.94Å; L761-I765 HydrophobicContact CB-CD1 4.5Å; L761-I765 VanDerWaalsContact O-CB 3.3Å; L761-I765 WeakPolarHBondContact O-CB 3.33Å; L761-I765 WeakPolarHBondContact O-CD1 3.34Å; L761-I765 WeakPolarHBondContact O-CG1 3.33Å; L761-I765 PolarHBondContact O-N 3.46Å; I765-R769 HydrophobicContact CG2-CG 4.46Å; I765-R769 WeakPolarHBondContact O-CB 3.4Å; I765-R769 WeakPolarHBondContact O-CG 3.43Å; I765-R769 PolarHBondContact O-N 2.77Å; I765-R769 VanDerWaalsContact O-N 3.07Å; I765-F805 HydrophobicContact CB-CD1 4.16Å; I765-F805 HydrophobicContact CB-CE1 4.25Å; I765-F805 HydrophobicContact CD1-CD1 4.46Å; I765-F805 HydrophobicContact CG2-CD1 3.75Å; I765-F805 HydrophobicContact CG2-CE1 4.17Å; I765-L808 HydrophobicContact CD1-CD1 3.74Å; I765-L808 HydrophobicContact CD1-CD2 4.11Å; I765-L808 HydrophobicContact CG1-CD2 4.37Å; I765-L808 HydrophobicContact CG2-CD2 3.67Å; I765-L814 HydrophobicContact CD1-CD1 3.96Å; I765-L814 HydrophobicContact CG1-CD1 3.72Å |
| 766 | W | 93.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 178.2 | -175.5 | 90.8 | 0 | 0 | 0 | 112.6 | I631 L634 T635 V638 L647 I655 L762 H764 R769 M770 L804 | I631-W766 HydrophobicContact CG2-CB 4.04Å; I631-W766 HydrophobicContact CG2-CD2 4.37Å; I631-W766 HydrophobicContact CG2-CG 3.61Å; L634-W766 HydrophobicContact CD2-CH2 3.81Å; L634-W766 HydrophobicContact CD2-CZ2 3.75Å; L634-W766 HydrophobicContact CG-CH2 4.26Å; L634-W766 HydrophobicContact CG-CZ2 3.88Å; T635-W766 PolarHBondContact OG1-NE1 3.4Å; V638-W766 HydrophobicContact CG2-CZ2 4.44Å; L647-W766 HydrophobicContact CD2-CH2 4.19Å; I655-W766 HydrophobicContact CD1-CE3 4.35Å; I655-W766 HydrophobicContact CD1-CH2 3.59Å; I655-W766 HydrophobicContact CD1-CZ3 3.36Å; I655-W766 HydrophobicContact CG2-CE3 4.21Å; I655-W766 HydrophobicContact CG2-CZ3 4Å; L762-W766 WeakPolarHBondContact O-CB 3.48Å; L762-W766 PolarHBondContact O-N 2.8Å; H764-W766 VanDerWaalsContact C-N 3.31Å; H764-W766 PolarHBondContact O-N 3.23Å; W766-R769 PolarHBondContact O-N 3.38Å; W766-M770 HydrophobicContact CD2-CG 3.84Å; W766-M770 HydrophobicContact CE3-CG 4.01Å; W766-M770 HydrophobicContact CH2-CB 4.48Å; W766-M770 HydrophobicContact CH2-CG 3.81Å; W766-M770 HydrophobicContact CZ2-CG 3.64Å; W766-M770 HydrophobicContact CZ2-SD 4.29Å; W766-M770 HydrophobicContact CZ3-CB 4.35Å; W766-M770 HydrophobicContact CZ3-CG 3.97Å; W766-M770 WeakPolarHBondContact O-CG 3.41Å; W766-M770 PolarHBondContact O-N 3.06Å; W766-L804 HydrophobicContact CB-CD2 4.18Å; W766-L804 HydrophobicContact CG-CD2 4.35Å |
| 767 | L | 93.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -46.3 | -179.1 | -179.1 | 61.7 | 0 | 0 | 0 | 111.4 | F652 I655 I656 R659 V763 H764 R769 M770 L771 | F652-L767 HydrophobicContact CD1-CD1 4.05Å; F652-L767 HydrophobicContact CE1-CD1 4.23Å; I655-L767 HydrophobicContact CG2-CD1 4.21Å; I656-L767 HydrophobicContact CG1-CD1 4.3Å; I656-L767 HydrophobicContact CG1-CD2 3.87Å; R659-L767 HydrophobicContact CB-CD2 4.36Å; V763-L767 VanDerWaalsContact O-CB 3.29Å; V763-L767 WeakPolarHBondContact O-CB 3.4Å; V763-L767 PolarHBondContact O-N 2.84Å; H764-L767 PolarHBondContact O-N 3.07Å; L767-R769 VanDerWaalsContact C-N 3.32Å; L767-R769 PolarHBondContact O-N 3.37Å; L767-M770 PolarHBondContact O-N 3.36Å; L767-L771 HydrophobicContact CD1-CD1 4.19Å; L767-L771 HydrophobicContact CD1-CG 4.2Å; L767-L771 HydrophobicContact CG-CD1 3.98Å; L767-L771 HydrophobicContact CG-CG 4.42Å; L767-L771 WeakPolarHBondContact O-CB 3.36Å; L767-L771 VanDerWaalsContact O-CG 3.3Å; L767-L771 WeakPolarHBondContact O-CG 3.26Å; L767-L771 PolarHBondContact O-N 2.79Å |
| 768 | E | 91.5 | Very high | 83.5 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -36.7 | 177.8 | -63.6 | -62.7 | 151.8 | 0 | 0 | 111.9 | R659 H764 S772 I811 P812 | R659-E768 IonicContact NH1-OE1 3.87Å; R659-E768 PolarHBondContact NH1-OE1 2.95Å; H764-E768 VanDerWaalsContact CE1-CG 3.49Å; H764-E768 WeakPolarHBondContact CE1-CG 3.12Å; H764-E768 IonicContact CE1-OE1 2.92Å; H764-E768 PolarHBondContact CE1-OE1 2.87Å; H764-E768 IonicContact ND1-OE1 2.65Å; H764-E768 VanDerWaalsContact O-CG 3.3Å; H764-E768 WeakPolarHBondContact O-CG 3.32Å; H764-E768 PolarHBondContact O-N 3.37Å; E768-S772 WeakPolarHBondContact O-CB 3.47Å; E768-S772 PolarHBondContact O-N 3.33Å; E768-I811 HydrophobicContact CB-CD1 4.27Å; E768-I811 HydrophobicContact CB-CG2 4.24Å; E768-I811 HydrophobicContact CG-CG2 4.4Å; E768-P812 WeakPolarHBondContact OE2-CG 3.44Å |
| 769 | R | 89.1 | Confident | 81.2 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -49.1 | 171 | -76.2 | -72.3 | -163.5 | -146.6 | 2.5 | 111.7 | I765 W766 L767 S772 L773 L804 S806 N807 I811 | I765-R769 HydrophobicContact CG2-CG 4.46Å; I765-R769 WeakPolarHBondContact O-CB 3.4Å; I765-R769 WeakPolarHBondContact O-CG 3.43Å; I765-R769 PolarHBondContact O-N 2.77Å; I765-R769 VanDerWaalsContact O-N 3.07Å; W766-R769 PolarHBondContact O-N 3.38Å; L767-R769 VanDerWaalsContact C-N 3.32Å; L767-R769 PolarHBondContact O-N 3.37Å; R769-S772 PolarHBondContact O-N 2.67Å; R769-L773 VanDerWaalsContact O-CG 3.31Å; R769-L773 WeakPolarHBondContact O-CG 3.28Å; R769-L773 PolarHBondContact O-N 2.93Å; R769-L804 HydrophobicContact CG-CG 4.4Å; R769-L804 PolarHBondContact NE-O 3.21Å; R769-S806 PolarHBondContact NH2-O 3.35Å; R769-N807 PolarHBondContact NH2-O 3.43Å; R769-I811 HydrophobicContact CG-CD1 4.02Å |
| 770 | M | 88.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.7 | -37.3 | -177.5 | -70.1 | -62.9 | 145 | 0 | 0 | 112.8 | T635 Y639 C645 F652 W766 L767 L773 K774 L804 | T635-M770 HydrophobicContact CG2-CE 3.88Å; Y639-M770 HydrophobicContact CG-CE 4.33Å; C645-M770 HydrophobicContact CB-SD 3.94Å; C645-M770 VanDerWaalsContact SG-SD 3.62Å; F652-M770 HydrophobicContact CE1-CB 4.38Å; F652-M770 HydrophobicContact CZ-CB 4.47Å; W766-M770 HydrophobicContact CD2-CG 3.84Å; W766-M770 HydrophobicContact CE3-CG 4.01Å; W766-M770 HydrophobicContact CH2-CB 4.48Å; W766-M770 HydrophobicContact CH2-CG 3.81Å; W766-M770 HydrophobicContact CZ2-CG 3.64Å; W766-M770 HydrophobicContact CZ2-SD 4.29Å; W766-M770 HydrophobicContact CZ3-CB 4.35Å; W766-M770 HydrophobicContact CZ3-CG 3.97Å; W766-M770 WeakPolarHBondContact O-CG 3.41Å; W766-M770 PolarHBondContact O-N 3.06Å; L767-M770 PolarHBondContact O-N 3.36Å; M770-L773 HydrophobicContact CE-CD1 4.31Å; M770-L773 PolarHBondContact O-N 2.93Å; M770-L773 HydrophobicContact SD-CD1 4.4Å; M770-K774 PolarHBondContact O-N 3.13Å; M770-L804 HydrophobicContact CE-CD1 3.65Å |
| 771 | L | 87.4 | Confident | 75.5 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 171.7 | -70.5 | 171.8 | 0 | 0 | 0 | 111.2 | F652 L767 L773 K774 M775 | F652-L771 HydrophobicContact CD1-CD2 4.16Å; F652-L771 HydrophobicContact CE1-CD2 3.86Å; F652-L771 HydrophobicContact CE1-CG 4.35Å; L767-L771 HydrophobicContact CD1-CD1 4.19Å; L767-L771 HydrophobicContact CD1-CG 4.2Å; L767-L771 HydrophobicContact CG-CD1 3.98Å; L767-L771 HydrophobicContact CG-CG 4.42Å; L767-L771 WeakPolarHBondContact O-CB 3.36Å; L767-L771 VanDerWaalsContact O-CG 3.3Å; L767-L771 WeakPolarHBondContact O-CG 3.26Å; L767-L771 PolarHBondContact O-N 2.79Å; L771-L773 PolarHBondContact O-N 3.35Å; L771-K774 PolarHBondContact O-N 2.9Å; L771-M775 VanDerWaalsContact O-CG 3.3Å; L771-M775 WeakPolarHBondContact O-CG 3.25Å; L771-M775 PolarHBondContact O-N 2.89Å; L771-M775 VanDerWaalsContact O-N 3.09Å |
| 772 | S | 83.1 | Confident | 72.4 | Confident | 66 Ų | 66 | 57 Ų | 57 | 46% | 0.462 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -30.5 | 176 | -175.6 | 0 | 0 | 0 | 0 | 113.1 | E768 R769 N776 | E768-S772 WeakPolarHBondContact O-CB 3.47Å; E768-S772 PolarHBondContact O-N 3.33Å; R769-S772 PolarHBondContact O-N 2.67Å; S772-N776 VanDerWaalsContact O-CG 3.28Å; S772-N776 PolarHBondContact O-ND2 2.99Å; S772-N776 PolarHBondContact O-OD1 3.46Å |
| 773 | L | 79.1 | Confident | 69.5 | Low | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -79.3 | -42.9 | 177.8 | -70.5 | 164 | 0 | 0 | 0 | 112.1 | Y639 R769 M770 L771 M775 N776 I799 | Y639-L773 HydrophobicContact CD2-CD1 4.2Å; Y639-L773 HydrophobicContact CE2-CB 4.47Å; Y639-L773 HydrophobicContact CE2-CD1 3.8Å; Y639-L773 HydrophobicContact CE2-CD2 4.3Å; Y639-L773 HydrophobicContact CE2-CG 4.41Å; R769-L773 VanDerWaalsContact O-CG 3.31Å; R769-L773 WeakPolarHBondContact O-CG 3.28Å; R769-L773 PolarHBondContact O-N 2.93Å; M770-L773 HydrophobicContact CE-CD1 4.31Å; M770-L773 PolarHBondContact O-N 2.93Å; M770-L773 HydrophobicContact SD-CD1 4.4Å; L771-L773 PolarHBondContact O-N 3.35Å; L773-M775 PolarHBondContact O-N 3.39Å; L773-N776 PolarHBondContact O-N 3.28Å; L773-I799 HydrophobicContact CD1-CD1 4.13Å; L773-I799 HydrophobicContact CD2-CD1 3.8Å |
| 774 | K | 75.3 | Confident | 66.4 | Low | 57 Ų | 57 | 70.7 Ų | 70.7 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62 | -30 | 175.9 | -169.8 | 163 | 175.5 | 175.8 | 0 | 112.2 | L647 D649 F652 M770 L771 | L647-K774 PolarHBondContact O-NZ 2.85Å; D649-K774 IonicContact OD1-NZ 2.75Å; D649-K774 PolarHBondContact OD1-NZ 3.25Å; F652-K774 HydrophobicContact CD2-CD 4.39Å; F652-K774 HydrophobicContact CE2-CD 3.48Å; F652-K774 VanDerWaalsContact CE2-CD 3.48Å; F652-K774 VanDerWaalsContact CE2-NZ 3.32Å; F652-K774 HydrophobicContact CZ-CD 3.73Å; M770-K774 PolarHBondContact O-N 3.13Å; L771-K774 PolarHBondContact O-N 2.9Å |
| 775 | M | 66.6 | Low | 63.5 | Low | 120 Ų | 120 | 75.9 Ų | 75.9 | 59% | 0.591 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -81.1 | -18.9 | 176.3 | -64.9 | -62.9 | 129.6 | 0 | 0 | 115.1 | L771 L773 T778 | L771-M775 VanDerWaalsContact O-CG 3.3Å; L771-M775 WeakPolarHBondContact O-CG 3.25Å; L771-M775 PolarHBondContact O-N 2.89Å; L771-M775 VanDerWaalsContact O-N 3.09Å; L773-M775 PolarHBondContact O-N 3.39Å; M775-T778 PolarHBondContact O-OG1 2.79Å |
| 776 | N | 58.7 | Low | 60.3 | Low | 95 Ų | 95 | 82.9 Ų | 82.9 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -81.4 | -40.3 | 179.1 | -77 | -9 | 0 | 0 | 0 | 111.6 | S772 L773 T778 S779 | S772-N776 VanDerWaalsContact O-CG 3.28Å; S772-N776 PolarHBondContact O-ND2 2.99Å; S772-N776 PolarHBondContact O-OD1 3.46Å; L773-N776 PolarHBondContact O-N 3.28Å; N776-T778 VanDerWaalsContact C-N 3.33Å; N776-T778 PolarHBondContact O-N 3.21Å; N776-S779 PolarHBondContact O-N 3.43Å; N776-S779 VanDerWaalsContact O-N 3.14Å; N776-S779 PolarHBondContact O-OG 3.23Å |
| 777 | V | 54.2 | Low | 57.3 | Low | 63 Ų | 63 | 88.5 Ų | 88.5 | 38% | 0.382 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | -178.1 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | S779 C780 | V777-S779 PolarHBondContact O-N 3.02Å; V777-C780 PolarHBondContact O-N 3.5Å |
| 778 | T | 46.4 | Very low | 54.1 | Low | 106 Ų | 106 | 95.2 Ų | 95.2 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.1 | 178.4 | 50 | 0 | 0 | 0 | 0 | 114.4 | M775 N776 | M775-T778 PolarHBondContact O-OG1 2.79Å; N776-T778 VanDerWaalsContact C-N 3.33Å; N776-T778 PolarHBondContact O-N 3.21Å |
| 779 | S | 40.7 | Very low | 51 | Low | 94 Ų | 94 | 101.3 Ų | 101.3 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -8.8 | 174.2 | 73.5 | 0 | 0 | 0 | 0 | 114.7 | N776 V777 | N776-S779 PolarHBondContact O-N 3.43Å; N776-S779 VanDerWaalsContact O-N 3.14Å; N776-S779 PolarHBondContact O-OG 3.23Å; V777-S779 PolarHBondContact O-N 3.02Å |
| 780 | C | 35.5 | Very low | 48.2 | Very low | 92 Ų | 92 | 106 Ų | 106 | 62% | 0.622 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -106.6 | -4.9 | -174.1 | -66.2 | 0 | 0 | 0 | 0 | 114.8 | V777 D782 | V777-C780 PolarHBondContact O-N 3.5Å; C780-D782 VanDerWaalsContact C-N 3.33Å; C780-D782 PolarHBondContact O-N 3.38Å |
| 781 | Q | 34.2 | Very low | 45.2 | Very low | 149 Ų | 149 | 112.1 Ų | 112.1 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -7.3 | -166.9 | -142.7 | 68.2 | 23.6 | 0 | 0 | 115.2 | V783 | Q781-V783 VanDerWaalsContact C-N 3.35Å; Q781-V783 PolarHBondContact O-N 3.03Å |
| 782 | D | 28.7 | Very low | 42.2 | Very low | 169 Ų | 169 | 115.1 Ų | 115.1 | 90% | 0.904 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 14.4 | -176.1 | -82.5 | -25.8 | 0 | 0 | 0 | 114.5 | C780 | C780-D782 VanDerWaalsContact C-N 3.33Å; C780-D782 PolarHBondContact O-N 3.38Å |
| 783 | V | 30.1 | Very low | 39.4 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | -117.6 | 95.5 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | Q781 | Q781-V783 VanDerWaalsContact C-N 3.35Å; Q781-V783 PolarHBondContact O-N 3.03Å | ||
| 784 | I | 30.4 | Very low | 37 | Very low | 162 Ų | 162 | 120.1 Ų | 120.1 | 83% | 0.831 | 69% | 0.691 | S | S | * | * | trans | -77.2 | 123 | 160.7 | -56.9 | 171.3 | 0 | 0 | 0 | 107.8 | ||||
| 785 | V | 33.2 | Very low | 34.6 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | trans | -178.8 | 132.5 | 140.6 | 140.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 786 | D | 27.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | 34 | 132 | 157.2 | -51.1 | -23.2 | 0 | 0 | 0 | 122 | ||||
| 787 | T | 29.7 | Very low | 31.7 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -65.2 | 164.6 | 163 | 45.2 | 0 | 0 | 0 | 0 | 112 | ||
| 788 | D | 26.5 | Very low | 31 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 70.7 | 59.7 | 169.5 | -49.3 | -27.9 | 0 | 0 | 0 | 116.8 | ||
| 789 | N | 26.3 | Very low | 31.2 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | 175.8 | 78.6 | 130.1 | -95.6 | -62.2 | 0 | 0 | 0 | 114.3 | ||||
| 790 | I | 29.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -137.3 | 106.3 | 159.8 | -56.3 | -178.4 | 0 | 0 | 0 | 110.5 | ||||
| 791 | C | 25.7 | Very low | 32.6 | Very low | 131 Ų | 131 | 127 Ų | 127 | 89% | 0.885 | 71% | 0.706 | S | S | * | * | trans | -146.5 | 45.2 | 170.7 | -163.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 792 | S | 23.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -170.9 | 57 | 178.9 | 43.5 | 0 | 0 | 0 | 0 | 116 | ||
| 793 | S | 24.4 | Very low | 35.4 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -162.4 | -20.4 | 163.5 | 59.7 | 0 | 0 | 0 | 0 | 117.9 | H795 | S793-H795 PolarHBondContact O-N 2.94Š|
| 794 | V | 29.3 | Very low | 37.6 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 62% | 0.624 | 64% | 0.639 | S | S | * | * | trans | -91.7 | 83.3 | -171.7 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | N796 | V794-N796 HydrophobicContact CG1-CB 3.89Å; V794-N796 PolarHBondContact O-N 3.07Å | ||
| 795 | H | 25.7 | Very low | 40.2 | Very low | 198 Ų | 198 | 107.3 Ų | 107.3 | 92% | 0.917 | 60% | 0.602 | S | S | * | * | trans | -79 | 44.8 | 166.5 | -90.4 | -52.9 | 0 | 0 | 0 | 112.7 | S793 | S793-H795 PolarHBondContact O-N 2.94Š| ||
| 796 | N | 29.3 | Very low | 42.2 | Very low | 139 Ų | 139 | 103.4 Ų | 103.4 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | trans | -84.4 | 114 | 163 | -73.1 | -21.2 | 0 | 0 | 0 | 107.3 | V794 E798 | V794-N796 HydrophobicContact CG1-CB 3.89Å; V794-N796 PolarHBondContact O-N 3.07Å; N796-E798 PolarHBondContact O-N 3.21Å | ||
| 797 | S | 34 | Very low | 44.6 | Very low | 103 Ų | 103 | 102 Ų | 102 | 72% | 0.72 | 57% | 0.573 | S | S | * | * | trans | -52.8 | 127.7 | -175.3 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | I799 | S797-I799 PolarHBondContact O-N 2.97Å; S797-I799 VanDerWaalsContact O-N 3.11Å | ||
| 798 | E | 39.2 | Very low | 47.2 | Very low | 128 Ų | 128 | 96.3 Ų | 96.3 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | trans | -52.1 | 117.1 | 166.4 | -63.5 | 179.1 | 138.4 | 0 | 0 | 108.9 | N796 F800 | N796-E798 PolarHBondContact O-N 3.21Å; E798-F800 HydrophobicContact CB-CD2 4.28Å; E798-F800 HydrophobicContact CB-CE2 3.85Å; E798-F800 HydrophobicContact CB-CZ 4.28Å; E798-F800 WeakPolarHBondContact O-CD2 3.45Å; E798-F800 PolarHBondContact O-N 2.79Å; E798-F800 VanDerWaalsContact OE2-CZ 3.32Å; E798-F800 WeakPolarHBondContact OE2-CZ 3.49Å | ||
| 799 | I | 50.7 | Low | 49.7 | Very low | 52 Ų | 52 | 92.8 Ų | 92.8 | 27% | 0.267 | 52% | 0.521 | S | S | . | . | trans | -78.4 | 84.4 | 175.8 | -56.2 | 179.3 | 0 | 0 | 0 | 107.3 | Y639 L773 S797 | Y639-I799 HydrophobicContact CE1-CB 4.43Å; L773-I799 HydrophobicContact CD1-CD1 4.13Å; L773-I799 HydrophobicContact CD2-CD1 3.8Å; S797-I799 PolarHBondContact O-N 2.97Å; S797-I799 VanDerWaalsContact O-N 3.11Å | ||
| 800 | F | 52.7 | Low | 52.1 | Low | 114 Ų | 114 | 87.7 Ų | 87.7 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | trans | -55 | 138.1 | 164.7 | -69.3 | -81.1 | 0 | 0 | 0 | 108.3 | E798 N802 D803 | E798-F800 HydrophobicContact CB-CD2 4.28Å; E798-F800 HydrophobicContact CB-CE2 3.85Å; E798-F800 HydrophobicContact CB-CZ 4.28Å; E798-F800 WeakPolarHBondContact O-CD2 3.45Å; E798-F800 PolarHBondContact O-N 2.79Å; E798-F800 VanDerWaalsContact OE2-CZ 3.32Å; E798-F800 WeakPolarHBondContact OE2-CZ 3.49Å; F800-N802 PolarHBondContact O-N 2.92Å; F800-D803 PolarHBondContact O-N 3.26Å | ||
| 801 | P | 53.7 | Low | 54.8 | Low | 37 Ų | 37 | 81 Ų | 81 | 24% | 0.24 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 3 | 179.5 | 22 | -31.2 | 0 | 0 | 0 | 114.3 | R632 D636 | R632-P801 HydrophobicContact CG-CB 4.45Å; R632-P801 VanDerWaalsContact NH1-C 3.28Å; R632-P801 PolarHBondContact NH1-O 3.13Å; D636-P801 WeakPolarHBondContact OD1-CB 3.29Å; D636-P801 WeakPolarHBondContact OD1-CG 3.34Å |
| 802 | N | 54.4 | Low | 57.6 | Low | 100 Ų | 100 | 78 Ų | 78 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -35.3 | 164.8 | -62.8 | -6.7 | 0 | 0 | 0 | 112.2 | R632 F800 | R632-N802 PolarHBondContact NH1-OD1 3.24Å; R632-N802 PolarHBondContact NH2-OD1 2.8Å; F800-N802 PolarHBondContact O-N 2.92Å |
| 803 | D | 66.2 | Low | 60.4 | Low | 72 Ų | 72 | 74.2 Ų | 74.2 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -83.6 | -8.5 | -175.1 | -79.1 | -55.4 | 0 | 0 | 0 | 114.5 | F800 F805 S806 | F800-D803 PolarHBondContact O-N 3.26Å; D803-F805 PolarHBondContact O-N 3.26Å; D803-F805 VanDerWaalsContact O-N 3.11Å; D803-S806 WeakPolarHBondContact CA-OG 3.36Å; D803-S806 WeakPolarHBondContact O-CA 3.3Å; D803-S806 PolarHBondContact O-N 2.92Å; D803-S806 PolarHBondContact O-OG 2.87Å; D803-S806 WeakPolarHBondContact OD1-CB 3.24Å; D803-S806 PolarHBondContact OD1-OG 2.94Å |
| 804 | L | 77.6 | Confident | 63.4 | Low | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -55.1 | -34.7 | 179.5 | -173.7 | 144.4 | 0 | 0 | 0 | 112.7 | T635 W766 R769 M770 | T635-L804 HydrophobicContact CG2-CD1 4.03Å; W766-L804 HydrophobicContact CB-CD2 4.18Å; W766-L804 HydrophobicContact CG-CD2 4.35Å; R769-L804 HydrophobicContact CG-CG 4.4Å; R769-L804 PolarHBondContact NE-O 3.21Å; M770-L804 HydrophobicContact CE-CD1 3.65Å |
| 805 | F | 84 | Confident | 65.9 | Low | 16 Ų | 16 | 65.2 Ų | 65.2 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -99.8 | -1.5 | 174.1 | -56.8 | -74.1 | 0 | 0 | 0 | 114.2 | R628 I631 I687 L762 I765 D803 L808 | R628-F805 VanDerWaalsContact NH1-CD2 3.29Å; I631-F805 HydrophobicContact CG2-CZ 4.14Å; I687-F805 HydrophobicContact CG2-CB 4.17Å; I687-F805 HydrophobicContact CG2-CD1 3.69Å; I687-F805 HydrophobicContact CG2-CE1 4.44Å; I687-F805 HydrophobicContact CG2-CG 4.13Å; I687-F805 WeakPolarHBondContact O-CB 3.3Å; L762-F805 HydrophobicContact CD2-CD1 4.22Å; L762-F805 HydrophobicContact CD2-CE1 3.61Å; L762-F805 HydrophobicContact CD2-CE2 4.23Å; L762-F805 HydrophobicContact CD2-CZ 3.61Å; I765-F805 HydrophobicContact CB-CD1 4.16Å; I765-F805 HydrophobicContact CB-CE1 4.25Å; I765-F805 HydrophobicContact CD1-CD1 4.46Å; I765-F805 HydrophobicContact CG2-CD1 3.75Å; I765-F805 HydrophobicContact CG2-CE1 4.17Å; D803-F805 PolarHBondContact O-N 3.26Å; D803-F805 VanDerWaalsContact O-N 3.11Å; F805-L808 WeakPolarHBondContact O-CD2 3.46Å |
| 806 | S | 75.5 | Confident | 68.3 | Low | 35 Ų | 35 | 56.7 Ų | 56.7 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -83.1 | 168.6 | 170.3 | 96.2 | 0 | 0 | 0 | 0 | 110.2 | R769 D803 L808 | R769-S806 PolarHBondContact NH2-O 3.35Å; D803-S806 WeakPolarHBondContact CA-OG 3.36Å; D803-S806 WeakPolarHBondContact O-CA 3.3Å; D803-S806 PolarHBondContact O-N 2.92Å; D803-S806 PolarHBondContact O-OG 2.87Å; D803-S806 WeakPolarHBondContact OD1-CB 3.24Å; D803-S806 PolarHBondContact OD1-OG 2.94Å; S806-L808 PolarHBondContact O-N 3.49Å |
| 807 | N | 78.2 | Confident | 70.8 | Confident | 118 Ų | 118 | 50 Ų | 50 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | trans | 36.8 | 63.4 | 176 | -168.7 | 13.1 | 0 | 0 | 0 | 115.4 | R769 V809 | R769-N807 PolarHBondContact NH2-O 3.43Å; N807-V809 PolarHBondContact O-N 3.45Å; N807-V809 WeakPolarHBondContact OD1-CG2 3.42Å | ||
| 808 | L | 84 | Confident | 72.9 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | trans | -71.1 | 18.1 | -175.8 | -56.4 | -177.2 | 0 | 0 | 0 | 114.8 | L684 Q688 I765 F805 S806 G810 I811 L814 I820 | L684-L808 HydrophobicContact CD1-CD1 3.74Å; Q688-L808 HydrophobicContact CG-CD1 3.7Å; Q688-L808 HydrophobicContact CG-CG 4.25Å; I765-L808 HydrophobicContact CD1-CD1 3.74Å; I765-L808 HydrophobicContact CD1-CD2 4.11Å; I765-L808 HydrophobicContact CG1-CD2 4.37Å; I765-L808 HydrophobicContact CG2-CD2 3.67Å; F805-L808 WeakPolarHBondContact O-CD2 3.46Å; S806-L808 PolarHBondContact O-N 3.49Å; L808-G810 PolarHBondContact O-N 3.05Å; L808-I811 HydrophobicContact CB-CG1 4.24Å; L808-I811 HydrophobicContact CD2-CG1 4.33Å; L808-I811 PolarHBondContact O-N 2.84Å; L808-L814 HydrophobicContact CD1-CD1 4.13Å; L808-I820 HydrophobicContact CB-CD1 4.03Å; L808-I820 HydrophobicContact CD1-CD1 4.22Å | ||
| 809 | V | 78.3 | Confident | 74.3 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 130.9 | 172.6 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | N807 I820 P821 | N807-V809 PolarHBondContact O-N 3.45Å; N807-V809 WeakPolarHBondContact OD1-CG2 3.42Å; V809-I820 HydrophobicContact CG2-CG2 4.49Å; V809-P821 HydrophobicContact CG2-CG 4.23Å |
| 810 | G | 77.2 | Confident | 75.3 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -16.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L808 P812 | L808-G810 PolarHBondContact O-N 3.05Å; G810-P812 WeakPolarHBondContact O-CD 3.44Å |
| 811 | I | 86.7 | Confident | 76 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | trans | -66.1 | 126.1 | 176.8 | -55.6 | -62.5 | 0 | 0 | 0 | 110 | E768 R769 L808 G813 L814 | E768-I811 HydrophobicContact CB-CD1 4.27Å; E768-I811 HydrophobicContact CB-CG2 4.24Å; E768-I811 HydrophobicContact CG-CG2 4.4Å; R769-I811 HydrophobicContact CG-CD1 4.02Å; L808-I811 HydrophobicContact CB-CG1 4.24Å; L808-I811 HydrophobicContact CD2-CG1 4.33Å; L808-I811 PolarHBondContact O-N 2.84Å; I811-G813 PolarHBondContact O-N 3.03Å; I811-L814 HydrophobicContact CB-CB 4.49Å; I811-L814 HydrophobicContact CB-CD1 4.12Å; I811-L814 HydrophobicContact CB-CG 4.48Å; I811-L814 HydrophobicContact CG2-CD1 3.67Å; I811-L814 HydrophobicContact CG2-CG 4.05Å; I811-L814 PolarHBondContact O-N 3.5Å | ||
| 812 | P | 85.1 | Confident | 76.6 | Confident | 66 Ų | 66 | 42.2 Ų | 42.2 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.1 | -179.2 | -30.7 | 38.4 | 0 | 0 | 0 | 113.6 | H764 E768 G810 L814 | H764-P812 PolarHBondContact NE2-O 3.42Å; E768-P812 WeakPolarHBondContact OE2-CG 3.44Å; G810-P812 WeakPolarHBondContact O-CD 3.44Å; P812-L814 VanDerWaalsContact C-N 3.25Å; P812-L814 PolarHBondContact O-N 3.31Å |
| 813 | G | 82.4 | Confident | 77 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -19.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | I811 F817 | I811-G813 PolarHBondContact O-N 3.03Å; G813-F817 WeakPolarHBondContact O-CE2 3.41Å |
| 814 | L | 87.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -10.1 | -176 | -60.8 | -174.9 | 0 | 0 | 0 | 115 | F680 L684 L761 I765 L808 I811 P812 G816 F817 I820 L973 | F680-L814 HydrophobicContact CZ-CD2 4.43Å; L684-L814 HydrophobicContact CD1-CD1 4.34Å; L761-L814 HydrophobicContact CD2-CD2 4.02Å; I765-L814 HydrophobicContact CD1-CD1 3.96Å; I765-L814 HydrophobicContact CG1-CD1 3.72Å; L808-L814 HydrophobicContact CD1-CD1 4.13Å; I811-L814 HydrophobicContact CB-CB 4.49Å; I811-L814 HydrophobicContact CB-CD1 4.12Å; I811-L814 HydrophobicContact CB-CG 4.48Å; I811-L814 HydrophobicContact CG2-CD1 3.67Å; I811-L814 HydrophobicContact CG2-CG 4.05Å; I811-L814 PolarHBondContact O-N 3.5Å; P812-L814 VanDerWaalsContact C-N 3.25Å; P812-L814 PolarHBondContact O-N 3.31Å; L814-G816 PolarHBondContact O-N 2.95Å; L814-F817 PolarHBondContact O-N 3.42Å; L814-I820 HydrophobicContact CB-CD1 4.26Å; L814-L973 HydrophobicContact CD2-CD2 3.77Å |
| 815 | G | 81.7 | Confident | 76.1 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 126.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K969 | G815-K969 PolarHBondContact O-NZ 3.1Š|
| 816 | G | 76.1 | Confident | 74.4 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 19% | 0.186 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 7.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | L814 I820 K966 | L814-G816 PolarHBondContact O-N 2.95Å; G816-I820 VanDerWaalsContact CA-O 3.24Å; G816-I820 WeakPolarHBondContact CA-O 3.36Å; G816-I820 PolarHBondContact N-O 3.04Å; G816-K966 WeakPolarHBondContact O-CE 3.46Å |
| 817 | F | 81.4 | Confident | 73.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -91.4 | 150.1 | 163.8 | -68.6 | -83.8 | 0 | 0 | 0 | 110.9 | L677 F680 E681 L684 G813 L814 S819 I820 K966 K969 I970 | L677-F817 HydrophobicContact CD1-CE1 4.15Å; F680-F817 HydrophobicContact CD1-CD1 4.25Å; F680-F817 HydrophobicContact CD1-CE1 4.29Å; F680-F817 HydrophobicContact CE1-CD1 4.17Å; F680-F817 HydrophobicContact CE1-CE1 4.19Å; F680-F817 HydrophobicContact CE1-CG 4.38Å; F680-F817 HydrophobicContact CE1-CZ 4.44Å; E681-F817 HydrophobicContact CG-CD1 4.13Å; E681-F817 WeakPolarHBondContact OE1-CA 3.41Å; L684-F817 HydrophobicContact CD2-CB 3.71Å; G813-F817 WeakPolarHBondContact O-CE2 3.41Å; L814-F817 PolarHBondContact O-N 3.42Å; F817-S819 PolarHBondContact O-N 3.44Å; F817-S819 VanDerWaalsContact O-N 3.16Å; F817-I820 WeakPolarHBondContact O-CB 3.4Å; F817-I820 WeakPolarHBondContact O-CG1 3.17Å; F817-I820 PolarHBondContact O-N 3.06Å; F817-K966 HydrophobicContact CD1-CD 4.25Å; F817-K966 HydrophobicContact CD1-CG 4.42Å; F817-K966 HydrophobicContact CE1-CB 3.86Å; F817-K966 HydrophobicContact CE1-CD 4.43Å; F817-K966 HydrophobicContact CE1-CG 4.19Å; F817-K966 WeakPolarHBondContact CZ-O 3.44Å; F817-K969 HydrophobicContact CE2-CB 3.71Å; F817-K969 HydrophobicContact CE2-CD 4.13Å; F817-K969 HydrophobicContact CZ-CB 3.52Å; F817-K969 HydrophobicContact CZ-CD 4.42Å; F817-I970 HydrophobicContact CE1-CD1 3.99Å; F817-I970 HydrophobicContact CE1-CG1 3.59Å; F817-I970 HydrophobicContact CZ-CD1 4.37Å; F817-I970 HydrophobicContact CZ-CG1 3.47Å; F817-I970 VanDerWaalsContact CZ-CG1 3.47Å |
| 818 | C | 77.2 | Confident | 72.3 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | -118.8 | -175.4 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | E681 R685 | E681-C818 PolarHBondContact O-SG 2.86Å; E681-C818 PolarHBondContact OE1-N 3.5Å; R685-C818 HydrophobicContact CG-CB 4.35Å |
| 819 | S | 68.6 | Low | 71.3 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 71% | 0.713 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 14.9 | 176.1 | -51.5 | 0 | 0 | 0 | 0 | 113.3 | F817 P821 | F817-S819 PolarHBondContact O-N 3.44Å; F817-S819 VanDerWaalsContact O-N 3.16Å; S819-P821 WeakPolarHBondContact O-CD 3.35Å |
| 820 | I | 71.6 | Confident | 71 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.062 | 40% | 0.401 | C | S | . | . | trans | -79.4 | 120 | -176 | -52.9 | 166 | 0 | 0 | 0 | 109.1 | L684 L808 V809 L814 G816 F817 D822 | L684-I820 HydrophobicContact CD2-CD1 4.07Å; L808-I820 HydrophobicContact CB-CD1 4.03Å; L808-I820 HydrophobicContact CD1-CD1 4.22Å; V809-I820 HydrophobicContact CG2-CG2 4.49Å; L814-I820 HydrophobicContact CB-CD1 4.26Å; G816-I820 VanDerWaalsContact CA-O 3.24Å; G816-I820 WeakPolarHBondContact CA-O 3.36Å; G816-I820 PolarHBondContact N-O 3.04Å; F817-I820 WeakPolarHBondContact O-CB 3.4Å; F817-I820 WeakPolarHBondContact O-CG1 3.17Å; F817-I820 PolarHBondContact O-N 3.06Å; I820-D822 PolarHBondContact O-N 3.36Å | ||
| 821 | P | 67.5 | Low | 71 | Confident | 82 Ų | 82 | 65.1 Ų | 65.1 | 53% | 0.532 | 40% | 0.403 | S | S | . | . | trans | -52.8 | 137.3 | 171.1 | -27.2 | 34.5 | 0 | 0 | 0 | 112.6 | V809 S819 P823 | V809-P821 HydrophobicContact CG2-CG 4.23Å; S819-P821 WeakPolarHBondContact O-CD 3.35Å; P821-P823 WeakPolarHBondContact O-CD 3.22Å | ||
| 822 | D | 67.9 | Low | 70.8 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | trans | -86.9 | 112.1 | 170.5 | -172.4 | -17.7 | 0 | 0 | 0 | 109.5 | I820 K824 S825 K969 | I820-D822 PolarHBondContact O-N 3.36Å; D822-K824 PolarHBondContact O-N 2.79Å; D822-K824 VanDerWaalsContact O-N 3.08Å; D822-K824 WeakPolarHBondContact OD1-CB 3.15Å; D822-K824 PolarHBondContact OD1-N 2.62Å; D822-S825 VanDerWaalsContact O-CB 3.31Å; D822-S825 WeakPolarHBondContact O-CB 3.42Å; D822-S825 PolarHBondContact O-N 2.79Å; D822-K969 IonicContact OD2-NZ 3.86Å; D822-K969 PolarHBondContact OD2-NZ 3.27Å | ||
| 823 | P | 62.3 | Low | 70.7 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 65% | 0.649 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -8.7 | -179.4 | 29.5 | -36 | 0 | 0 | 0 | 113.4 | P821 | P821-P823 WeakPolarHBondContact O-CD 3.22Š|
| 824 | K | 63.6 | Low | 70.9 | Confident | 182 Ų | 182 | 69.6 Ų | 69.6 | 79% | 0.791 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 3.6 | 174.5 | -59.3 | -178.6 | -178.3 | 178.5 | 0 | 112.9 | D822 T826 | D822-K824 PolarHBondContact O-N 2.79Å; D822-K824 VanDerWaalsContact O-N 3.08Å; D822-K824 WeakPolarHBondContact OD1-CB 3.15Å; D822-K824 PolarHBondContact OD1-N 2.62Å; K824-T826 PolarHBondContact O-N 2.78Å; K824-T826 VanDerWaalsContact O-N 3.11Å |
| 825 | S | 61.5 | Low | 70.8 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | trans | -74.5 | 93.9 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | D822 T827 | D822-S825 VanDerWaalsContact O-CB 3.31Å; D822-S825 WeakPolarHBondContact O-CB 3.42Å; D822-S825 PolarHBondContact O-N 2.79Å; S825-T827 PolarHBondContact O-N 2.99Å; S825-T827 PolarHBondContact OG-O 3.44Å; S825-T827 PolarHBondContact OG-OG1 2.92Å; S825-T827 VanDerWaalsContact OG-OG1 3.04Å | ||
| 826 | T | 46.9 | Very low | 70.9 | Confident | 145 Ų | 145 | 75.1 Ų | 75.1 | 89% | 0.89 | 45% | 0.448 | S | S | * | . | trans | -68.8 | -15.8 | 173.6 | -24.9 | 0 | 0 | 0 | 0 | 113.5 | K824 | K824-T826 PolarHBondContact O-N 2.78Å; K824-T826 VanDerWaalsContact O-N 3.11Å | ||
| 827 | T | 53.4 | Low | 71.2 | Confident | 98 Ų | 98 | 77.2 Ų | 77.2 | 60% | 0.601 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -71.8 | 128.4 | 171.6 | 34.2 | 0 | 0 | 0 | 0 | 110.5 | S825 | S825-T827 PolarHBondContact O-N 2.99Å; S825-T827 PolarHBondContact OG-O 3.44Å; S825-T827 PolarHBondContact OG-OG1 2.92Å; S825-T827 VanDerWaalsContact OG-OG1 3.04Å |
| 828 | P | 56.2 | Low | 71.3 | Confident | 102 Ų | 102 | 78 Ų | 78 | 66% | 0.662 | 46% | 0.46 | S | S | * | . | trans | -62.8 | 145.1 | 174.8 | 28.1 | -34.6 | 0 | 0 | 0 | 110.3 | L830 | P828-L830 VanDerWaalsContact C-N 3.35Å; P828-L830 PolarHBondContact O-N 2.95Å | ||
| 829 | A | 63 | Low | 71.3 | Confident | 86 Ų | 86 | 84.2 Ų | 84.2 | 71% | 0.711 | 48% | 0.484 | S | S | * | . | trans | -70.9 | 90.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 830 | L | 72 | Confident | 71.3 | Confident | 34 Ų | 34 | 84.5 Ų | 84.5 | 18% | 0.178 | 49% | 0.486 | C | S | . | . | trans | -54.5 | 142.7 | -179.1 | -65.3 | 173.2 | 0 | 0 | 0 | 111.9 | P828 C862 I881 I884 | P828-L830 VanDerWaalsContact C-N 3.35Å; P828-L830 PolarHBondContact O-N 2.95Å; L830-C862 HydrophobicContact CD1-CB 4.18Å; L830-I881 HydrophobicContact CB-CD1 4.19Å; L830-I881 HydrophobicContact CD1-CD1 4.17Å; L830-I881 HydrophobicContact CD2-CD1 4.19Å; L830-I881 HydrophobicContact CG-CD1 4.43Å; L830-I884 VanDerWaalsContact C-CD1 3.46Å; L830-I884 HydrophobicContact CB-CD1 3.53Å; L830-I884 VanDerWaalsContact O-CD1 3.3Å; L830-I884 WeakPolarHBondContact O-CD1 3.43Å | ||
| 831 | K | 78.8 | Confident | 71.1 | Confident | 142 Ų | 142 | 86.5 Ų | 86.5 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | trans | -128 | 157 | -179.7 | -64.4 | 175 | -174.8 | 174.9 | 0 | 111.1 | G833 D834 | K831-G833 PolarHBondContact O-N 3.43Å; K831-D834 PolarHBondContact N-OD2 3.16Å; K831-D834 WeakPolarHBondContact O-CB 3.44Å; K831-D834 PolarHBondContact O-N 2.85Å; K831-D834 VanDerWaalsContact O-N 3.07Å | ||
| 832 | T | 81.8 | Confident | 71.4 | Confident | 99 Ų | 99 | 87.8 Ų | 87.8 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 126.4 | 169.4 | -51.1 | 0 | 0 | 0 | 0 | 109.9 | T882 | T832-T882 WeakPolarHBondContact CG2-O 3.39Š|
| 833 | G | 83.6 | Confident | 72.2 | Confident | 47 Ų | 47 | 88.8 Ų | 88.8 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | -14.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K831 I881 | K831-G833 PolarHBondContact O-N 3.43Å; G833-I881 PolarHBondContact N-O 2.94Å |
| 834 | D | 85.2 | Confident | 73.5 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 34% | 0.337 | 48% | 0.479 | S | S | . | . | trans | -66.8 | 156.8 | 176.6 | -71.9 | -18.4 | 0 | 0 | 0 | 112.1 | K831 V880 I881 | K831-D834 PolarHBondContact N-OD2 3.16Å; K831-D834 WeakPolarHBondContact O-CB 3.44Å; K831-D834 PolarHBondContact O-N 2.85Å; K831-D834 VanDerWaalsContact O-N 3.07Å; D834-V880 WeakPolarHBondContact O-CA 2.81Å; D834-I881 HydrophobicContact CB-CD1 4.27Å; D834-I881 PolarHBondContact O-N 3.44Å | ||
| 835 | R | 85.6 | Confident | 74.7 | Confident | 104 Ų | 104 | 77 Ų | 77 | 39% | 0.392 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.3 | 179.3 | -72.9 | 176 | 166.7 | -103.4 | -25.7 | 110.2 | D872 W878 G879 | R835-D872 IonicContact CZ-OD1 3.33Å; R835-D872 IonicContact CZ-OD2 2.95Å; R835-D872 IonicContact NH1-OD2 2.7Å; R835-D872 PolarHBondContact NH1-OD2 2.96Å; R835-D872 IonicContact NH2-OD1 3.64Å; R835-D872 PolarHBondContact NH2-OD1 3.5Å; R835-D872 IonicContact NH2-OD2 3.52Å; R835-D872 PolarHBondContact NH2-OD2 3.43Å; R835-W878 HydrophobicContact CB-CE3 3.97Å; R835-W878 HydrophobicContact CB-CZ3 4.17Å; R835-G879 CarbonylContact C-O 3.46Å; R835-G879 WeakPolarHBondContact CA-O 3.06Å |
| 836 | L | 84 | Confident | 76.2 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 13% | 0.126 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.8 | 178.1 | -166 | 68.7 | 0 | 0 | 0 | 109.8 | L838 V860 W878 G879 I881 | L836-L838 HydrophobicContact CB-CD2 4.22Å; L836-L838 HydrophobicContact CD2-CD2 4.06Å; L836-L838 HydrophobicContact CG-CD2 4.2Å; L836-V860 HydrophobicContact CD2-CG1 3.76Å; L836-W878 WeakPolarHBondContact O-CA 3.5Å; L836-G879 PolarHBondContact N-O 2.84Å; L836-G879 PolarHBondContact O-N 2.87Å; L836-I881 HydrophobicContact CB-CG1 4.5Å |
| 837 | D | 83.8 | Confident | 78.4 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 33% | 0.326 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 129.1 | 168.3 | -168.2 | -29.3 | 0 | 0 | 0 | 108.7 | F839 W878 | D837-F839 WeakPolarHBondContact OD1-CB 3.35Å; D837-F839 VanDerWaalsContact OD1-CD2 3.24Å; D837-F839 WeakPolarHBondContact OD1-CD2 3.4Å; D837-F839 PolarHBondContact OD1-N 3.07Å; D837-W878 HydrophobicContact CB-CD2 4.23Å; D837-W878 HydrophobicContact CB-CE3 4.4Å; D837-W878 HydrophobicContact CB-CH2 4.06Å; D837-W878 HydrophobicContact CB-CZ2 3.83Å; D837-W878 HydrophobicContact CB-CZ3 4.33Å |
| 838 | L | 82.8 | Confident | 80.3 | Confident | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | trans | -108.2 | 0.7 | -176.6 | -46.7 | 179 | 0 | 0 | 0 | 112.9 | L836 S840 E841 L843 V860 V869 G877 | L836-L838 HydrophobicContact CB-CD2 4.22Å; L836-L838 HydrophobicContact CD2-CD2 4.06Å; L836-L838 HydrophobicContact CG-CD2 4.2Å; L838-S840 PolarHBondContact O-N 3.22Å; L838-S840 VanDerWaalsContact O-N 3.16Å; L838-E841 PolarHBondContact O-N 2.84Å; L838-L843 HydrophobicContact CB-CD1 4.17Å; L838-L843 HydrophobicContact CB-CD2 4.34Å; L838-L843 HydrophobicContact CD1-CD1 4.42Å; L838-L843 HydrophobicContact CD1-CD2 4Å; L838-L843 HydrophobicContact CD2-CD2 4.3Å; L838-L843 HydrophobicContact CG-CD2 4.45Å; L838-V860 HydrophobicContact CD2-CG2 4.37Å; L838-V869 HydrophobicContact CD2-CG1 4.36Å; L838-G877 WeakPolarHBondContact CA-O 3.46Å; L838-G877 VanDerWaalsContact CB-O 3.26Å; L838-G877 WeakPolarHBondContact CB-O 3.49Å; L838-G877 PolarHBondContact N-O 3.48Å | ||
| 839 | F | 76.9 | Confident | 81.9 | Confident | 155 Ų | 155 | 62.8 Ų | 62.8 | 68% | 0.68 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.3 | -178.4 | -77.4 | -65.6 | 0 | 0 | 0 | 113.9 | D837 | D837-F839 WeakPolarHBondContact OD1-CB 3.35Å; D837-F839 VanDerWaalsContact OD1-CD2 3.24Å; D837-F839 WeakPolarHBondContact OD1-CD2 3.4Å; D837-F839 PolarHBondContact OD1-N 3.07Å |
| 840 | S | 68 | Low | 83 | Confident | 108 Ų | 108 | 61 Ų | 61 | 76% | 0.755 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -6.3 | -176.4 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | L838 | L838-S840 PolarHBondContact O-N 3.22Å; L838-S840 VanDerWaalsContact O-N 3.16Å |
| 841 | E | 68.3 | Low | 83.3 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -108.1 | 144 | -172 | -74.6 | -133.5 | -137 | 0 | 0 | 113.4 | L838 L843 V860 S861 | L838-E841 PolarHBondContact O-N 2.84Å; E841-L843 PolarHBondContact O-N 2.73Å; E841-V860 HydrophobicContact CB-CG1 4.24Å; E841-V860 HydrophobicContact CG-CG1 4.26Å; E841-V860 WeakPolarHBondContact OE1-CG1 3.48Å; E841-V860 WeakPolarHBondContact OE2-CG1 3.3Å; E841-S861 PolarHBondContact OE2-N 3.16Å |
| 842 | T | 73.7 | Confident | 83.2 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 66% | 0.663 | 37% | 0.37 | S | S | * | . | trans | -79.5 | 89.5 | 177.8 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 843 | L | 85.4 | Confident | 83.2 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | trans | -65.4 | 131.7 | 177 | -66.6 | 164.2 | 0 | 0 | 0 | 112.9 | L838 E841 F858 V860 | L838-L843 HydrophobicContact CB-CD1 4.17Å; L838-L843 HydrophobicContact CB-CD2 4.34Å; L838-L843 HydrophobicContact CD1-CD1 4.42Å; L838-L843 HydrophobicContact CD1-CD2 4Å; L838-L843 HydrophobicContact CD2-CD2 4.3Å; L838-L843 HydrophobicContact CG-CD2 4.45Å; E841-L843 PolarHBondContact O-N 2.73Å; L843-F858 HydrophobicContact CB-CD1 4.1Å; L843-F858 HydrophobicContact CD2-CB 3.76Å; L843-F858 HydrophobicContact CD2-CD1 4.36Å; L843-F858 HydrophobicContact CD2-CG 4.19Å; L843-V860 HydrophobicContact CD2-CG2 3.6Å | ||
| 844 | I | 88.7 | Confident | 83.4 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.077 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 112.2 | 165.4 | -46.8 | 177.5 | 0 | 0 | 0 | 109.5 | F858 I859 F942 R947 T950 A951 L954 | I844-F858 WeakPolarHBondContact O-CA 3.33Å; I844-I859 HydrophobicContact CB-CB 4.38Å; I844-I859 PolarHBondContact N-O 3Å; I844-I859 PolarHBondContact O-N 3.37Å; I844-F942 HydrophobicContact CG2-CD1 4.02Å; I844-F942 HydrophobicContact CG2-CE1 3.73Å; I844-R947 HydrophobicContact CG2-CB 4.34Å; I844-T950 HydrophobicContact CD1-CG2 3.9Å; I844-A951 HydrophobicContact CD1-CB 4.07Å; I844-A951 HydrophobicContact CG2-CB 4.39Å; I844-L954 HydrophobicContact CD1-CB 4.49Å; I844-L954 HydrophobicContact CD1-CD1 4.03Å |
| 845 | G | 90 | Very high | 83.7 | Confident | 19 Ų | 19 | 66.4 Ų | 66.4 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 133.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R857 F942 | G845-R857 WeakPolarHBondContact CA-O 3.44Å; G845-F942 WeakPolarHBondContact O-CD1 3.48Å |
| 846 | C | 92.5 | Very high | 83.9 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 5% | 0.054 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 166.4 | 174.9 | 66.4 | 0 | 0 | 0 | 0 | 111.5 | K856 R857 I859 F940 L941 F942 | C846-K856 WeakPolarHBondContact O-CA 3.48Å; C846-R857 PolarHBondContact N-O 3.03Å; C846-R857 PolarHBondContact O-N 2.71Å; C846-R857 VanDerWaalsContact O-O 3.04Å; C846-I859 HydrophobicContact CB-CD1 4.49Å; C846-F940 HydrophobicContact CB-CB 4.34Å; C846-L941 CarbonylContact C-O 3.54Å; C846-L941 WeakPolarHBondContact CA-O 3.29Å; C846-F942 HydrophobicContact CB-CD1 3.91Å; C846-F942 HydrophobicContact CB-CE1 3.59Å; C846-F942 HydrophobicContact CB-CZ 3.95Å |
| 847 | T | 93.1 | Very high | 84.2 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.1 | 162.8 | -47.8 | 0 | 0 | 0 | 0 | 107.8 | H854 K856 L941 | T847-H854 HydrophobicContact CG2-CB 4.29Å; T847-K856 HydrophobicContact CG2-CG 4.44Å; T847-L941 PolarHBondContact N-O 3.25Å; T847-L941 PolarHBondContact O-N 3.41Å |
| 848 | V | 92.2 | Very high | 84.6 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.6 | -179.2 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | C850 H854 E855 R857 L868 A938 F940 | V848-C850 HydrophobicContact CG1-CB 4.38Å; V848-H854 WeakPolarHBondContact O-CA 3.26Å; V848-E855 PolarHBondContact N-O 3.26Å; V848-E855 PolarHBondContact O-N 3.49Å; V848-R857 HydrophobicContact CG2-CB 4.03Å; V848-R857 HydrophobicContact CG2-CG 4.03Å; V848-L868 HydrophobicContact CG2-CD1 4.2Å; V848-A938 HydrophobicContact CG1-CB 3.93Å; V848-F940 HydrophobicContact CB-CD1 4.3Å; V848-F940 HydrophobicContact CB-CE1 4.4Å; V848-F940 HydrophobicContact CG1-CD1 4.03Å; V848-F940 HydrophobicContact CG1-CE1 3.81Å; V848-F940 HydrophobicContact CG2-CD1 3.82Å; V848-F940 HydrophobicContact CG2-CE1 3.84Å |
| 849 | E | 90.8 | Very high | 84.9 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 113.9 | 165.1 | 175.2 | 176.6 | -115.7 | 0 | 0 | 108.7 | I853 H854 A938 K939 | E849-I853 WeakPolarHBondContact CA-O 3.41Å; E849-H854 IonicContact OE1-CD2 3.51Å; E849-H854 IonicContact OE1-CE1 2.83Å; E849-H854 IonicContact OE1-NE2 3.85Å; E849-H854 PolarHBondContact OE1-NE2 3.24Å; E849-A938 CarbonylContact O-C 3.44Å; E849-A938 VanDerWaalsContact O-CA 3.27Å; E849-A938 WeakPolarHBondContact O-CA 3.49Å; E849-A938 WeakPolarHBondContact O-CB 3.28Å; E849-K939 HydrophobicContact CB-CB 4.28Å; E849-K939 PolarHBondContact N-O 3.45Å; E849-K939 PolarHBondContact O-N 3.36Å; E849-K939 VanDerWaalsContact OE2-CD 3.26Å; E849-K939 WeakPolarHBondContact OE2-CD 3.49Å; E849-K939 VanDerWaalsContact OE2-CE 3.23Å; E849-K939 WeakPolarHBondContact OE2-CE 3.49Å; E849-K939 IonicContact OE2-NZ 2.69Å; E849-K939 PolarHBondContact OE2-NZ 3.03Å |
| 850 | C | 85.1 | Confident | 85.2 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 126.1 | 174.2 | -172 | 0 | 0 | 0 | 0 | 109.2 | V848 G852 I853 A938 | V848-C850 HydrophobicContact CG1-CB 4.38Å; C850-G852 PolarHBondContact O-N 3.13Å; C850-G852 VanDerWaalsContact O-N 3.1Å; C850-I853 PolarHBondContact N-O 3.08Å; C850-I853 PolarHBondContact O-N 2.87Å; C850-A938 HydrophobicContact CB-CB 4.18Å |
| 851 | S | 78.5 | Confident | 85.3 | Confident | 121 Ų | 121 | 58 Ų | 58 | 85% | 0.846 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 34.3 | -178.3 | -55.1 | 0 | 0 | 0 | 0 | 114.7 | I853 | S851-I853 VanDerWaalsContact C-N 3.28Å; S851-I853 PolarHBondContact O-N 3.45Å |
| 852 | G | 77 | Confident | 85.4 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -5.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C850 | C850-G852 PolarHBondContact O-N 3.13Å; C850-G852 VanDerWaalsContact O-N 3.1Å |
| 853 | I | 81.7 | Confident | 85.3 | Confident | 109 Ų | 109 | 54.7 Ų | 54.7 | 56% | 0.559 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.9 | 174.8 | -51.3 | 179.5 | 0 | 0 | 0 | 108.7 | E849 C850 S851 E855 | E849-I853 WeakPolarHBondContact CA-O 3.41Å; C850-I853 PolarHBondContact N-O 3.08Å; C850-I853 PolarHBondContact O-N 2.87Å; S851-I853 VanDerWaalsContact C-N 3.28Å; S851-I853 PolarHBondContact O-N 3.45Å; I853-E855 HydrophobicContact CG2-CG 3.86Å |
| 854 | H | 88 | Confident | 84.7 | Confident | 121 Ų | 121 | 55 Ų | 55 | 56% | 0.56 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112.3 | -179.9 | -77.4 | -145.6 | 0 | 0 | 0 | 110.3 | T847 V848 E849 | T847-H854 HydrophobicContact CG2-CB 4.29Å; V848-H854 WeakPolarHBondContact O-CA 3.26Å; E849-H854 IonicContact OE1-CD2 3.51Å; E849-H854 IonicContact OE1-CE1 2.83Å; E849-H854 IonicContact OE1-NE2 3.85Å; E849-H854 PolarHBondContact OE1-NE2 3.24Å |
| 855 | E | 90.5 | Very high | 84.3 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123 | -174.9 | -63.1 | -149.7 | 93.4 | 0 | 0 | 113 | V848 I853 R857 | V848-E855 PolarHBondContact N-O 3.26Å; V848-E855 PolarHBondContact O-N 3.49Å; I853-E855 HydrophobicContact CG2-CG 3.86Å; E855-R857 PolarHBondContact O-N 2.96Å; E855-R857 IonicContact OE1-CZ 2.82Å; E855-R857 IonicContact OE1-NH1 3.23Å; E855-R857 PolarHBondContact OE1-NH1 2.89Å; E855-R857 IonicContact OE1-NH2 2.91Å; E855-R857 PolarHBondContact OE1-NH2 3.39Å; E855-R857 IonicContact OE2-CZ 2.85Å; E855-R857 IonicContact OE2-NE 3.99Å; E855-R857 IonicContact OE2-NH2 2.73Å; E855-R857 PolarHBondContact OE2-NH2 3.14Å |
| 856 | K | 90.2 | Very high | 84.1 | Confident | 146 Ų | 146 | 56.8 Ų | 56.8 | 64% | 0.635 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 131.5 | 168.4 | -76.5 | -161.7 | 173.8 | -163.2 | 0 | 111 | C846 T847 | C846-K856 WeakPolarHBondContact O-CA 3.48Å; T847-K856 HydrophobicContact CG2-CG 4.44Å |
| 857 | R | 91.8 | Very high | 83.8 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 165.9 | -178.4 | -66 | -61.3 | -176.4 | -99 | 4 | 110.8 | G845 C846 V848 E855 T882 | G845-R857 WeakPolarHBondContact CA-O 3.44Å; C846-R857 PolarHBondContact N-O 3.03Å; C846-R857 PolarHBondContact O-N 2.71Å; C846-R857 VanDerWaalsContact O-O 3.04Å; V848-R857 HydrophobicContact CG2-CB 4.03Å; V848-R857 HydrophobicContact CG2-CG 4.03Å; E855-R857 PolarHBondContact O-N 2.96Å; E855-R857 IonicContact OE1-CZ 2.82Å; E855-R857 IonicContact OE1-NH1 3.23Å; E855-R857 PolarHBondContact OE1-NH1 2.89Å; E855-R857 IonicContact OE1-NH2 2.91Å; E855-R857 PolarHBondContact OE1-NH2 3.39Å; E855-R857 IonicContact OE2-CZ 2.85Å; E855-R857 IonicContact OE2-NE 3.99Å; E855-R857 IonicContact OE2-NH2 2.73Å; E855-R857 PolarHBondContact OE2-NH2 3.14Å; R857-T882 WeakPolarHBondContact CD-OG1 3.39Å; R857-T882 PolarHBondContact NE-OG1 3.27Å |
| 858 | F | 90.7 | Very high | 83.7 | Confident | 74 Ų | 74 | 55 Ų | 55 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.5 | 167.2 | -64.7 | -87.9 | 0 | 0 | 0 | 109.8 | L843 I844 L868 V869 P871 | L843-F858 HydrophobicContact CB-CD1 4.1Å; L843-F858 HydrophobicContact CD2-CB 3.76Å; L843-F858 HydrophobicContact CD2-CD1 4.36Å; L843-F858 HydrophobicContact CD2-CG 4.19Å; I844-F858 WeakPolarHBondContact O-CA 3.33Å; F858-L868 WeakPolarHBondContact O-CA 3.35Å; F858-V869 PolarHBondContact N-O 2.99Å; F858-V869 PolarHBondContact O-N 2.83Å; F858-P871 HydrophobicContact CE2-CG 4.44Å |
| 859 | I | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 131.3 | 170 | -64.5 | 167.6 | 0 | 0 | 0 | 108.2 | I844 C846 L866 L868 F940 F942 A951 L954 | I844-I859 HydrophobicContact CB-CB 4.38Å; I844-I859 PolarHBondContact N-O 3Å; I844-I859 PolarHBondContact O-N 3.37Å; C846-I859 HydrophobicContact CB-CD1 4.49Å; I859-L866 HydrophobicContact CG2-CD1 3.74Å; I859-L868 HydrophobicContact CG1-CD2 3.76Å; I859-F940 HydrophobicContact CD1-CD2 3.67Å; I859-F940 HydrophobicContact CD1-CE2 3.92Å; I859-F940 HydrophobicContact CG1-CD2 4.41Å; I859-F940 HydrophobicContact CG1-CE2 4.26Å; I859-F942 HydrophobicContact CD1-CE1 3.91Å; I859-F942 HydrophobicContact CD1-CZ 3.74Å; I859-A951 HydrophobicContact CD1-CB 4.15Å; I859-L954 HydrophobicContact CG2-CD2 4.16Å |
| 860 | V | 83.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | L836 L838 E841 L843 V867 V869 | L836-V860 HydrophobicContact CD2-CG1 3.76Å; L838-V860 HydrophobicContact CD2-CG2 4.37Å; E841-V860 HydrophobicContact CB-CG1 4.24Å; E841-V860 HydrophobicContact CG-CG1 4.26Å; E841-V860 WeakPolarHBondContact OE1-CG1 3.48Å; E841-V860 WeakPolarHBondContact OE2-CG1 3.3Å; L843-V860 HydrophobicContact CD2-CG2 3.6Å; V860-V867 HydrophobicContact CB-CB 4.26Å; V860-V867 PolarHBondContact N-O 2.82Å; V860-V867 PolarHBondContact O-N 3.24Å; V860-V867 VanDerWaalsContact O-N 3.09Å; V860-V869 HydrophobicContact CB-CG2 3.95Å; V860-V869 HydrophobicContact CG2-CB 4.38Å; V860-V869 HydrophobicContact CG2-CG2 3.58Å |
| 861 | S | 71.8 | Confident | 83.8 | Confident | 40 Ų | 40 | 58 Ų | 58 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | trans | -112.9 | 55.7 | -163.8 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | E841 G863 | E841-S861 PolarHBondContact OE2-N 3.16Å; S861-G863 PolarHBondContact O-N 3.47Å | ||
| 862 | C | 70.1 | Confident | 84.2 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | trans | -74.3 | 95.7 | -173.9 | -154.5 | 0 | 0 | 0 | 0 | 112.3 | L830 Q864 Q865 V867 | L830-C862 HydrophobicContact CD1-CB 4.18Å; C862-Q864 PolarHBondContact O-N 2.96Å; C862-Q865 PolarHBondContact O-N 3Å; C862-Q865 VanDerWaalsContact O-N 3.16Å; C862-V867 HydrophobicContact CB-CG2 3.61Å | ||
| 863 | G | 70.7 | Confident | 84.6 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -103.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S861 | S861-G863 PolarHBondContact O-N 3.47Š|
| 864 | Q | 72.3 | Confident | 84.7 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 10.3 | -178.5 | -54.8 | -160.7 | -8.4 | 0 | 0 | 113.3 | C862 L887 V962 | C862-Q864 PolarHBondContact O-N 2.96Å; Q864-L887 PolarHBondContact O-N 2.68Å; Q864-L887 VanDerWaalsContact O-N 3.09Å; Q864-V962 HydrophobicContact CB-CG2 3.71Å; Q864-V962 HydrophobicContact CG-CG2 3.9Å |
| 865 | Q | 81.1 | Confident | 84.4 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.2 | -173.4 | -64.8 | 176.2 | -6.6 | 0 | 0 | 111.5 | C862 I884 G885 | C862-Q865 PolarHBondContact O-N 3Å; C862-Q865 VanDerWaalsContact O-N 3.16Å; Q865-I884 HydrophobicContact CB-CG2 4.31Å; Q865-I884 HydrophobicContact CG-CG2 4.3Å; Q865-I884 VanDerWaalsContact OE1-CG2 3.26Å; Q865-G885 CarbonylContact C-O 3.58Å; Q865-G885 VanDerWaalsContact CA-O 3.29Å; Q865-G885 WeakPolarHBondContact CA-O 3.31Å |
| 866 | L | 85.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126.8 | 159.9 | 174.6 | 61.6 | 0 | 0 | 0 | 107.8 | I859 I884 G885 L887 L890 I906 M936 F940 L955 | I859-L866 HydrophobicContact CG2-CD1 3.74Å; L866-I884 WeakPolarHBondContact O-CA 3.43Å; L866-G885 PolarHBondContact N-O 3.21Å; L866-G885 PolarHBondContact O-N 3.22Å; L866-L887 HydrophobicContact CB-CD2 4.47Å; L866-L890 HydrophobicContact CD2-CD1 4.1Å; L866-I906 HydrophobicContact CB-CD1 4.39Å; L866-I906 HydrophobicContact CD2-CD1 3.74Å; L866-M936 HydrophobicContact CD2-CE 4.22Å; L866-F940 HydrophobicContact CD2-CE2 4.27Å; L866-F940 HydrophobicContact CD2-CZ 4.24Å; L866-L955 HydrophobicContact CD1-CD2 3.76Å; L866-L955 HydrophobicContact CD2-CD2 4.46Å |
| 867 | V | 87.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129 | 171.8 | -166 | 0 | 0 | 0 | 0 | 108.8 | V860 C862 V869 I881 I884 | V860-V867 HydrophobicContact CB-CB 4.26Å; V860-V867 PolarHBondContact N-O 2.82Å; V860-V867 PolarHBondContact O-N 3.24Å; V860-V867 VanDerWaalsContact O-N 3.09Å; C862-V867 HydrophobicContact CB-CG2 3.61Å; V867-V869 HydrophobicContact CB-CG2 4.46Å; V867-V869 HydrophobicContact CG1-CG2 3.79Å; V867-I881 HydrophobicContact CG1-CB 4.31Å; V867-I881 HydrophobicContact CG1-CD1 3.79Å; V867-I881 HydrophobicContact CG1-CG1 3.75Å; V867-I881 HydrophobicContact CG1-CG2 3.77Å; V867-I884 HydrophobicContact CG1-CG1 4.21Å; V867-I884 HydrophobicContact CG2-CG1 4.4Å |
| 868 | L | 90.1 | Very high | 83.4 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.5 | 165.9 | -60.4 | 175.6 | 0 | 0 | 0 | 109.1 | V848 F858 I859 T882 F883 M936 F940 | V848-L868 HydrophobicContact CG2-CD1 4.2Å; F858-L868 WeakPolarHBondContact O-CA 3.35Å; I859-L868 HydrophobicContact CG1-CD2 3.76Å; L868-T882 PolarHBondContact O-N 3.37Å; L868-T882 PolarHBondContact O-OG1 2.9Å; L868-F883 HydrophobicContact CB-CB 4.09Å; L868-F883 HydrophobicContact CD1-CB 4.09Å; L868-F883 HydrophobicContact CD1-CD1 4.23Å; L868-F883 HydrophobicContact CD1-CG 4.39Å; L868-F883 HydrophobicContact CG-CB 4.34Å; L868-F883 HydrophobicContact CG-CD1 4.34Å; L868-F883 PolarHBondContact N-O 2.98Å; L868-F883 PolarHBondContact O-N 3.37Å; L868-M936 HydrophobicContact CD1-SD 4.22Å; L868-F940 HydrophobicContact CD1-CE1 4.29Å; L868-F940 HydrophobicContact CD1-CZ 4.01Å; L868-F940 HydrophobicContact CD2-CE2 4.23Å; L868-F940 HydrophobicContact CD2-CZ 3.98Å |
| 869 | V | 91.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.7 | -170.6 | -160.5 | 0 | 0 | 0 | 0 | 110.1 | L838 F858 V860 V867 V880 | L838-V869 HydrophobicContact CD2-CG1 4.36Å; F858-V869 PolarHBondContact N-O 2.99Å; F858-V869 PolarHBondContact O-N 2.83Å; V860-V869 HydrophobicContact CB-CG2 3.95Å; V860-V869 HydrophobicContact CG2-CB 4.38Å; V860-V869 HydrophobicContact CG2-CG2 3.58Å; V867-V869 HydrophobicContact CB-CG2 4.46Å; V867-V869 HydrophobicContact CG1-CG2 3.79Å; V869-V880 WeakPolarHBondContact CG1-O 3.37Å |
| 870 | K | 91.2 | Very high | 83.4 | Confident | 95 Ų | 95 | 54.4 Ų | 54.4 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 145.3 | 163.1 | 69 | -177.7 | 178.8 | -176.4 | 0 | 109.3 | G879 V880 T882 | K870-G879 CarbonylContact O-C 3.58Å; K870-G879 WeakPolarHBondContact O-CA 3.42Å; K870-V880 HydrophobicContact CG-CB 4.17Å; K870-V880 PolarHBondContact N-O 3.4Å; K870-V880 PolarHBondContact O-N 3.35Å; K870-T882 HydrophobicContact CB-CG2 4.12Å; K870-T882 HydrophobicContact CD-CG2 3.82Å; K870-T882 HydrophobicContact CG-CG2 3.79Å |
| 871 | P | 88 | Confident | 83.7 | Confident | 84 Ų | 84 | 54.5 Ų | 54.5 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 142 | 175.4 | 26.2 | -34 | 0 | 0 | 0 | 110.6 | F858 | F858-P871 HydrophobicContact CE2-CG 4.44Å |
| 872 | D | 86.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 11% | 0.107 | 30% | 0.302 | C | S | . | . | trans | -76.7 | 131.8 | 176 | -178.8 | 37.7 | 0 | 0 | 0 | 110.9 | R835 K874 Q875 W878 V880 | R835-D872 IonicContact CZ-OD1 3.33Å; R835-D872 IonicContact CZ-OD2 2.95Å; R835-D872 IonicContact NH1-OD2 2.7Å; R835-D872 PolarHBondContact NH1-OD2 2.96Å; R835-D872 IonicContact NH2-OD1 3.64Å; R835-D872 PolarHBondContact NH2-OD1 3.5Å; R835-D872 IonicContact NH2-OD2 3.52Å; R835-D872 PolarHBondContact NH2-OD2 3.43Å; D872-K874 PolarHBondContact O-N 3.33Å; D872-K874 PolarHBondContact OD1-N 3.03Å; D872-K874 WeakPolarHBondContact OD2-CB 3.26Å; D872-K874 PolarHBondContact OD2-N 3.43Å; D872-Q875 WeakPolarHBondContact OD2-CB 3.31Å; D872-Q875 PolarHBondContact OD2-N 3.36Å; D872-Q875 VanDerWaalsContact OD2-N 3.09Å; D872-W878 HydrophobicContact CB-CB 4.31Å; D872-W878 PolarHBondContact N-O 2.8Å; D872-V880 HydrophobicContact CB-CG2 4.16Å | ||
| 873 | S | 85.3 | Confident | 85.3 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 83% | 0.832 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -74.7 | -10.5 | 178 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 874 | K | 83.9 | Confident | 86 | Confident | 179 Ų | 179 | 53.2 Ų | 53.2 | 78% | 0.778 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -105.9 | -18.6 | -176.6 | -54.7 | -173.2 | -179.6 | -176 | 0 | 114.5 | D872 | D872-K874 PolarHBondContact O-N 3.33Å; D872-K874 PolarHBondContact OD1-N 3.03Å; D872-K874 WeakPolarHBondContact OD2-CB 3.26Å; D872-K874 PolarHBondContact OD2-N 3.43Å |
| 875 | Q | 82.5 | Confident | 86.5 | Confident | 81 Ų | 81 | 49.7 Ų | 49.7 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -146.6 | 112.9 | -170.9 | -166 | 173.1 | -7.4 | 0 | 0 | 110.9 | D872 W878 | D872-Q875 WeakPolarHBondContact OD2-CB 3.31Å; D872-Q875 PolarHBondContact OD2-N 3.36Å; D872-Q875 VanDerWaalsContact OD2-N 3.09Å; Q875-W878 HydrophobicContact CB-CB 4.16Å; Q875-W878 HydrophobicContact CB-CG 4.3Å; Q875-W878 HydrophobicContact CG-CB 4.26Å; Q875-W878 HydrophobicContact CG-CG 3.87Å; Q875-W878 PolarHBondContact O-N 3.32Å |
| 876 | L | 80.6 | Confident | 86.5 | Confident | 163 Ų | 163 | 47.9 Ų | 47.9 | 85% | 0.853 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 137.1 | -178.1 | -120.9 | 153.3 | 0 | 0 | 0 | 110.7 | W878 | L876-W878 VanDerWaalsContact C-N 3.27Å; L876-W878 PolarHBondContact O-N 3.02Å |
| 877 | G | 82.6 | Confident | 86.3 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -1.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L838 | L838-G877 WeakPolarHBondContact CA-O 3.46Å; L838-G877 VanDerWaalsContact CB-O 3.26Å; L838-G877 WeakPolarHBondContact CB-O 3.49Å; L838-G877 PolarHBondContact N-O 3.48Å |
| 878 | W | 88.9 | Confident | 85.9 | Confident | 68 Ų | 68 | 49 Ų | 49 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 156.6 | 176.7 | -72.9 | 62.1 | 0 | 0 | 0 | 111.7 | R835 L836 D837 D872 Q875 L876 | R835-W878 HydrophobicContact CB-CE3 3.97Å; R835-W878 HydrophobicContact CB-CZ3 4.17Å; L836-W878 WeakPolarHBondContact O-CA 3.5Å; D837-W878 HydrophobicContact CB-CD2 4.23Å; D837-W878 HydrophobicContact CB-CE3 4.4Å; D837-W878 HydrophobicContact CB-CH2 4.06Å; D837-W878 HydrophobicContact CB-CZ2 3.83Å; D837-W878 HydrophobicContact CB-CZ3 4.33Å; D872-W878 HydrophobicContact CB-CB 4.31Å; D872-W878 PolarHBondContact N-O 2.8Å; Q875-W878 HydrophobicContact CB-CB 4.16Å; Q875-W878 HydrophobicContact CB-CG 4.3Å; Q875-W878 HydrophobicContact CG-CB 4.26Å; Q875-W878 HydrophobicContact CG-CG 3.87Å; Q875-W878 PolarHBondContact O-N 3.32Å; L876-W878 VanDerWaalsContact C-N 3.27Å; L876-W878 PolarHBondContact O-N 3.02Å |
| 879 | G | 87.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | R835 L836 K870 | R835-G879 CarbonylContact C-O 3.46Å; R835-G879 WeakPolarHBondContact CA-O 3.06Å; L836-G879 PolarHBondContact N-O 2.84Å; L836-G879 PolarHBondContact O-N 2.87Å; K870-G879 CarbonylContact O-C 3.58Å; K870-G879 WeakPolarHBondContact O-CA 3.42Å |
| 880 | V | 90.4 | Very high | 85 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.3 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | D834 V869 K870 D872 T882 | D834-V880 WeakPolarHBondContact O-CA 2.81Å; V869-V880 WeakPolarHBondContact CG1-O 3.37Å; K870-V880 HydrophobicContact CG-CB 4.17Å; K870-V880 PolarHBondContact N-O 3.4Å; K870-V880 PolarHBondContact O-N 3.35Å; D872-V880 HydrophobicContact CB-CG2 4.16Å; V880-T882 PolarHBondContact O-N 2.94Å |
| 881 | I | 89.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 125.1 | 179.7 | -63.4 | -177.3 | 0 | 0 | 0 | 109.8 | L830 G833 D834 L836 V867 I884 | L830-I881 HydrophobicContact CB-CD1 4.19Å; L830-I881 HydrophobicContact CD1-CD1 4.17Å; L830-I881 HydrophobicContact CD2-CD1 4.19Å; L830-I881 HydrophobicContact CG-CD1 4.43Å; G833-I881 PolarHBondContact N-O 2.94Å; D834-I881 HydrophobicContact CB-CD1 4.27Å; D834-I881 PolarHBondContact O-N 3.44Å; L836-I881 HydrophobicContact CB-CG1 4.5Å; V867-I881 HydrophobicContact CG1-CB 4.31Å; V867-I881 HydrophobicContact CG1-CD1 3.79Å; V867-I881 HydrophobicContact CG1-CG1 3.75Å; V867-I881 HydrophobicContact CG1-CG2 3.77Å; I881-I884 HydrophobicContact CD1-CD1 4.2Å; I881-I884 HydrophobicContact CG2-CD1 3.87Å; I881-I884 HydrophobicContact CG2-CG1 3.71Å |
| 882 | T | 88.6 | Confident | 84.8 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 22% | 0.221 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -20 | 177.2 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | T832 R857 L868 K870 V880 | T832-T882 WeakPolarHBondContact CG2-O 3.39Å; R857-T882 WeakPolarHBondContact CD-OG1 3.39Å; R857-T882 PolarHBondContact NE-OG1 3.27Å; L868-T882 PolarHBondContact O-N 3.37Å; L868-T882 PolarHBondContact O-OG1 2.9Å; K870-T882 HydrophobicContact CB-CG2 4.12Å; K870-T882 HydrophobicContact CD-CG2 3.82Å; K870-T882 HydrophobicContact CG-CG2 3.79Å; V880-T882 PolarHBondContact O-N 2.94Å |
| 883 | F | 88.4 | Confident | 84.9 | Confident | 36 Ų | 36 | 50 Ų | 50 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 146.8 | 175.3 | 174.5 | -88 | 0 | 0 | 0 | 110.9 | L868 I906 I935 M936 | L868-F883 HydrophobicContact CB-CB 4.09Å; L868-F883 HydrophobicContact CD1-CB 4.09Å; L868-F883 HydrophobicContact CD1-CD1 4.23Å; L868-F883 HydrophobicContact CD1-CG 4.39Å; L868-F883 HydrophobicContact CG-CB 4.34Å; L868-F883 HydrophobicContact CG-CD1 4.34Å; L868-F883 PolarHBondContact N-O 2.98Å; L868-F883 PolarHBondContact O-N 3.37Å; F883-I906 HydrophobicContact CE1-CD1 3.79Å; F883-I906 HydrophobicContact CZ-CD1 4.1Å; F883-I935 HydrophobicContact CE2-CG2 3.86Å; F883-I935 HydrophobicContact CZ-CG2 3.93Å; F883-M936 HydrophobicContact CD1-CE 4.44Å; F883-M936 HydrophobicContact CD1-SD 4.23Å; F883-M936 HydrophobicContact CD2-SD 4.32Å; F883-M936 HydrophobicContact CE1-CE 3.98Å; F883-M936 HydrophobicContact CE1-SD 4.08Å; F883-M936 HydrophobicContact CE2-CB 3.87Å; F883-M936 HydrophobicContact CE2-CG 4.49Å; F883-M936 HydrophobicContact CE2-SD 4.15Å; F883-M936 HydrophobicContact CG-SD 4.36Å; F883-M936 HydrophobicContact CZ-CB 3.75Å; F883-M936 HydrophobicContact CZ-CE 4.24Å; F883-M936 HydrophobicContact CZ-CG 4.5Å; F883-M936 HydrophobicContact CZ-SD 4.04Å |
| 884 | I | 85.5 | Confident | 85 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 18% | 0.179 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.4 | 170.4 | -76.5 | 171.1 | 0 | 0 | 0 | 109 | L830 Q865 L866 V867 I881 | L830-I884 VanDerWaalsContact C-CD1 3.46Å; L830-I884 HydrophobicContact CB-CD1 3.53Å; L830-I884 VanDerWaalsContact O-CD1 3.3Å; L830-I884 WeakPolarHBondContact O-CD1 3.43Å; Q865-I884 HydrophobicContact CB-CG2 4.31Å; Q865-I884 HydrophobicContact CG-CG2 4.3Å; Q865-I884 VanDerWaalsContact OE1-CG2 3.26Å; L866-I884 WeakPolarHBondContact O-CA 3.43Å; V867-I884 HydrophobicContact CG1-CG1 4.21Å; V867-I884 HydrophobicContact CG2-CG1 4.4Å; I881-I884 HydrophobicContact CD1-CD1 4.2Å; I881-I884 HydrophobicContact CG2-CD1 3.87Å; I881-I884 HydrophobicContact CG2-CG1 3.71Å |
| 885 | G | 81.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q865 L866 | Q865-G885 CarbonylContact C-O 3.58Å; Q865-G885 VanDerWaalsContact CA-O 3.29Å; Q865-G885 WeakPolarHBondContact CA-O 3.31Å; L866-G885 PolarHBondContact N-O 3.21Å; L866-G885 PolarHBondContact O-N 3.22Å |
| 886 | P | 80.5 | Confident | 85.4 | Confident | 32 Ų | 32 | 42.2 Ų | 42.2 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 138.3 | 179.6 | 28.5 | -36 | 0 | 0 | 0 | 112.6 | D889 I906 | P886-D889 HydrophobicContact CG-CB 4.34Å; P886-I906 HydrophobicContact CG-CG2 4.08Å |
| 887 | L | 82.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -75.3 | -21.5 | 175.2 | -84 | 164.8 | 0 | 0 | 0 | 114 | Q864 L866 L890 L955 K959 V962 | Q864-L887 PolarHBondContact O-N 2.68Å; Q864-L887 VanDerWaalsContact O-N 3.09Å; L866-L887 HydrophobicContact CB-CD2 4.47Å; L887-L890 HydrophobicContact CD2-CD1 4.29Å; L887-L955 HydrophobicContact CD2-CD2 4Å; L887-K959 WeakPolarHBondContact O-CB 3.38Å; L887-V962 HydrophobicContact CB-CG2 4.1Å |
| 888 | Q | 79.4 | Confident | 86.3 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -50.1 | -179.8 | -177.1 | -178.6 | -13 | 0 | 0 | 112 | E681 L890 K959 V962 K966 | E681-Q888 PolarHBondContact OE2-NE2 2.97Å; Q888-L890 PolarHBondContact O-N 3.41Å; Q888-K959 WeakPolarHBondContact O-CE 3.44Å; Q888-K959 PolarHBondContact O-NZ 2.92Å; Q888-K959 VanDerWaalsContact O-NZ 3.11Å; Q888-V962 HydrophobicContact CB-CG1 4.12Å; Q888-K966 VanDerWaalsContact OE1-CE 3.31Å |
| 889 | D | 75.8 | Confident | 86.4 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 20.9 | 178.8 | -70.6 | -81.5 | 0 | 0 | 0 | 113.3 | P886 H907 P909 G910 H911 L912 | P886-D889 HydrophobicContact CG-CB 4.34Å; D889-H907 HydrophobicContact CB-CB 4.27Å; D889-H907 PolarHBondContact O-CD2 3.25Å; D889-H907 PolarHBondContact O-N 3.2Å; D889-P909 WeakPolarHBondContact OD2-CA 3.42Å; D889-G910 VanDerWaalsContact CG-N 3.32Å; D889-G910 PolarHBondContact OD1-N 3.35Å; D889-G910 PolarHBondContact OD2-N 2.96Å; D889-H911 PolarHBondContact OD1-N 2.88Å; D889-L912 PolarHBondContact OD1-N 2.95Å |
| 890 | L | 85.8 | Confident | 86.7 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 134.8 | 174.1 | -175.3 | 150.6 | 0 | 0 | 0 | 111.1 | L866 L887 Q888 V904 T905 I906 L955 K959 | L866-L890 HydrophobicContact CD2-CD1 4.1Å; L887-L890 HydrophobicContact CD2-CD1 4.29Å; Q888-L890 PolarHBondContact O-N 3.41Å; L890-V904 HydrophobicContact CD1-CG1 3.93Å; L890-V904 HydrophobicContact CG-CG1 4.14Å; L890-T905 CarbonylContact C-O 3.31Å; L890-T905 WeakPolarHBondContact CA-O 3.35Å; L890-I906 HydrophobicContact CB-CG1 4.21Å; L890-I906 HydrophobicContact CD1-CD1 3.89Å; L890-I906 HydrophobicContact CD1-CG1 3.91Å; L890-I906 HydrophobicContact CG-CG1 4.02Å; L890-L955 HydrophobicContact CD1-CD1 4.38Å; L890-L955 HydrophobicContact CD1-CD2 4Å; L890-L955 HydrophobicContact CD2-CB 4.18Å; L890-L955 HydrophobicContact CD2-CD1 4.36Å; L890-K959 WeakPolarHBondContact O-CD 3.45Å; L890-K959 PolarHBondContact O-NZ 3.17Å |
| 891 | E | 86.2 | Confident | 86.8 | Confident | 94 Ų | 94 | 44.1 Ų | 44.1 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143.9 | 163.3 | -56.7 | -159.7 | 142.8 | 0 | 0 | 109.7 | T905 L912 | E891-T905 PolarHBondContact N-O 3.11Å; E891-T905 PolarHBondContact O-N 3.27Å; E891-L912 HydrophobicContact CG-CD1 3.64Å; E891-L912 HydrophobicContact CG-CD2 3.97Å; E891-L912 HydrophobicContact CG-CG 4.46Å; E891-L912 WeakPolarHBondContact OE1-CD2 3.31Å |
| 892 | S | 88.4 | Confident | 87 | Confident | 26 Ų | 26 | 44 Ų | 44 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 135.6 | 172.2 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | H903 | S892-H903 VanDerWaalsContact CA-O 3.24Å; S892-H903 WeakPolarHBondContact CA-O 3.24Å |
| 893 | H | 89 | Confident | 87.2 | Confident | 98 Ų | 98 | 44.2 Ų | 44.2 | 45% | 0.454 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137.4 | 177.2 | 59.1 | -88.1 | 0 | 0 | 0 | 110.8 | H903 | H893-H903 AromaticContact CD2-CD2 3.87Å; H893-H903 AromaticContact CD2-CG 3.95Å; H893-H903 VanDerWaalsContact CE1-CB 3.43Å; H893-H903 WeakPolarHBondContact CE1-CB 3.31Å; H893-H903 PolarHBondContact N-O 2.8Å; H893-H903 WeakPolarHBondContact NE2-CB 3.47Å; H893-H903 AromaticContact NE2-CD2 3.81Å; H893-H903 AromaticContact NE2-CG 3.52Å; H893-H903 PolarHBondContact O-N 3.18Å |
| 894 | C | 87.5 | Confident | 87.3 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 25% | 0.25 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 143.7 | 172.1 | -60.1 | 0 | 0 | 0 | 0 | 109.1 | R952 | C894-R952 WeakPolarHBondContact SG-CD 3.45Å |
| 895 | D | 88.1 | Confident | 87.5 | Confident | 41 Ų | 41 | 42 Ų | 42 | 22% | 0.219 | 24% | 0.244 | C | C | . | . | trans | -67.4 | 130 | 169.6 | -163.1 | -60.4 | 0 | 0 | 0 | 109.9 | A897 D898 C901 H903 | D895-A897 PolarHBondContact O-N 3.34Å; D895-A897 WeakPolarHBondContact OD1-CA 3.49Å; D895-A897 WeakPolarHBondContact OD1-CB 3.48Å; D895-A897 PolarHBondContact OD1-N 3.49Å; D895-D898 PolarHBondContact OD1-N 3.08Å; D895-C901 HydrophobicContact CB-CB 3.73Å; D895-C901 PolarHBondContact N-O 3.11Å; D895-H903 IonicContact OD2-CD2 2.72Å; D895-H903 IonicContact OD2-CE1 3.11Å; D895-H903 IonicContact OD2-NE2 2.7Å; D895-H903 PolarHBondContact OD2-NE2 3.09Å | ||
| 896 | P | 87.2 | Confident | 87.7 | Confident | 138 Ų | 138 | 41.8 Ų | 41.8 | 90% | 0.896 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -63.3 | -22.3 | 175.8 | -23.1 | 34.7 | 0 | 0 | 0 | 114.4 | ||
| 897 | A | 89.7 | Confident | 87.8 | Confident | 98 Ų | 98 | 41.2 Ų | 41.2 | 81% | 0.81 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -98.3 | -28.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D895 | D895-A897 PolarHBondContact O-N 3.34Å; D895-A897 WeakPolarHBondContact OD1-CA 3.49Å; D895-A897 WeakPolarHBondContact OD1-CB 3.48Å; D895-A897 PolarHBondContact OD1-N 3.49Å |
| 898 | D | 92.3 | Very high | 87.1 | Confident | 41 Ų | 41 | 42 Ų | 42 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | trans | -130.3 | 107.8 | 171.8 | -168.9 | -11.2 | 0 | 0 | 0 | 112.3 | D895 R900 C901 | D895-D898 PolarHBondContact OD1-N 3.08Å; D898-R900 PolarHBondContact O-N 3.24Å; D898-R900 VanDerWaalsContact OD1-CB 3.29Å; D898-R900 WeakPolarHBondContact OD1-CB 3.4Å; D898-R900 WeakPolarHBondContact OD1-CG 3.5Å; D898-R900 IonicContact OD1-CZ 3.36Å; D898-R900 PolarHBondContact OD1-N 2.83Å; D898-R900 IonicContact OD1-NE 2.67Å; D898-R900 PolarHBondContact OD1-NE 3.34Å; D898-R900 IonicContact OD1-NH2 3.4Å; D898-R900 IonicContact OD2-CZ 3.73Å; D898-R900 IonicContact OD2-NE 2.69Å; D898-R900 PolarHBondContact OD2-NE 3.01Å; D898-R900 VanDerWaalsContact OD2-NE 3.15Å; D898-R900 IonicContact OD2-NH2 3.36Å; D898-R900 PolarHBondContact OD2-NH2 3.14Å; D898-C901 HydrophobicContact CB-CB 4.14Å; D898-C901 WeakPolarHBondContact O-CB 3.16Å; D898-C901 PolarHBondContact O-N 3.11Å | ||
| 899 | S | 90.6 | Very high | 86.3 | Confident | 72 Ų | 72 | 44.2 Ų | 44.2 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -17.1 | 174.3 | 63.9 | 0 | 0 | 0 | 0 | 115.5 | C948 | S899-C948 WeakPolarHBondContact O-CB 3.34Å; S899-C948 PolarHBondContact O-SG 3.15Å |
| 900 | R | 93.5 | Very high | 85.3 | Confident | 98 Ų | 98 | 44.3 Ų | 44.3 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.3 | 176.8 | -49.6 | 171.4 | -61.5 | 155.4 | 8.7 | 113.3 | D898 F942 | D898-R900 PolarHBondContact O-N 3.24Å; D898-R900 VanDerWaalsContact OD1-CB 3.29Å; D898-R900 WeakPolarHBondContact OD1-CB 3.4Å; D898-R900 WeakPolarHBondContact OD1-CG 3.5Å; D898-R900 IonicContact OD1-CZ 3.36Å; D898-R900 PolarHBondContact OD1-N 2.83Å; D898-R900 IonicContact OD1-NE 2.67Å; D898-R900 PolarHBondContact OD1-NE 3.34Å; D898-R900 IonicContact OD1-NH2 3.4Å; D898-R900 IonicContact OD2-CZ 3.73Å; D898-R900 IonicContact OD2-NE 2.69Å; D898-R900 PolarHBondContact OD2-NE 3.01Å; D898-R900 VanDerWaalsContact OD2-NE 3.15Å; D898-R900 IonicContact OD2-NH2 3.36Å; D898-R900 PolarHBondContact OD2-NH2 3.14Å; R900-F942 WeakPolarHBondContact O-CD2 3.38Å; R900-F942 PolarHBondContact O-N 2.86Å |
| 901 | C | 93.3 | Very high | 84.2 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.054 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.1 | -178.3 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | D895 D898 L941 | D895-C901 HydrophobicContact CB-CB 3.73Å; D895-C901 PolarHBondContact N-O 3.11Å; D898-C901 HydrophobicContact CB-CB 4.14Å; D898-C901 WeakPolarHBondContact O-CB 3.16Å; D898-C901 PolarHBondContact O-N 3.11Å; C901-L941 HydrophobicContact CB-CD1 4.06Å |
| 902 | L | 92.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 114.5 | 174 | -170.7 | 70.7 | 0 | 0 | 0 | 109.1 | V904 F940 F942 R952 L955 | L902-V904 HydrophobicContact CD2-CG2 3.98Å; L902-V904 HydrophobicContact CG-CG2 4.01Å; L902-F940 HydrophobicContact CB-CB 4.47Å; L902-F940 PolarHBondContact N-O 3.04Å; L902-F940 PolarHBondContact O-N 2.95Å; L902-F942 HydrophobicContact CB-CE2 3.93Å; L902-R952 HydrophobicContact CD1-CB 3.87Å; L902-R952 HydrophobicContact CD1-CG 3.96Å; L902-R952 HydrophobicContact CD2-CB 4.1Å; L902-L955 HydrophobicContact CD2-CD1 3.92Å |
| 903 | H | 92.4 | Very high | 81.2 | Confident | 40 Ų | 40 | 41.8 Ų | 41.8 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129 | 169 | -64.4 | -100.3 | 0 | 0 | 0 | 108.4 | S892 H893 D895 | S892-H903 VanDerWaalsContact CA-O 3.24Å; S892-H903 WeakPolarHBondContact CA-O 3.24Å; H893-H903 AromaticContact CD2-CD2 3.87Å; H893-H903 AromaticContact CD2-CG 3.95Å; H893-H903 VanDerWaalsContact CE1-CB 3.43Å; H893-H903 WeakPolarHBondContact CE1-CB 3.31Å; H893-H903 PolarHBondContact N-O 2.8Å; H893-H903 WeakPolarHBondContact NE2-CB 3.47Å; H893-H903 AromaticContact NE2-CD2 3.81Å; H893-H903 AromaticContact NE2-CG 3.52Å; H893-H903 PolarHBondContact O-N 3.18Å; D895-H903 IonicContact OD2-CD2 2.72Å; D895-H903 IonicContact OD2-CE1 3.11Å; D895-H903 IonicContact OD2-NE2 2.7Å; D895-H903 PolarHBondContact OD2-NE2 3.09Å |
| 904 | V | 91.6 | Very high | 79.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.9 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | L890 L902 I906 M936 A938 F940 L955 | L890-V904 HydrophobicContact CD1-CG1 3.93Å; L890-V904 HydrophobicContact CG-CG1 4.14Å; L902-V904 HydrophobicContact CD2-CG2 3.98Å; L902-V904 HydrophobicContact CG-CG2 4.01Å; V904-I906 HydrophobicContact CG1-CG1 4.23Å; V904-M936 HydrophobicContact CG1-CE 4.07Å; V904-A938 PolarHBondContact N-O 3.36Å; V904-A938 PolarHBondContact O-N 2.85Å; V904-F940 HydrophobicContact CB-CE1 4.49Å; V904-F940 HydrophobicContact CB-CE2 4.27Å; V904-F940 HydrophobicContact CB-CZ 4.24Å; V904-F940 HydrophobicContact CG1-CE2 4.38Å; V904-F940 HydrophobicContact CG1-CZ 4.33Å; V904-F940 HydrophobicContact CG2-CD2 3.73Å; V904-F940 HydrophobicContact CG2-CE2 3.81Å; V904-F940 HydrophobicContact CG2-CG 4.15Å; V904-F940 HydrophobicContact CG2-CZ 4.27Å; V904-L955 HydrophobicContact CG2-CD1 4.21Å |
| 905 | T | 89.1 | Confident | 77.5 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 14% | 0.135 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.7 | 172.7 | -56.3 | 0 | 0 | 0 | 0 | 108.5 | L890 E891 H907 P934 M936 V937 | L890-T905 CarbonylContact C-O 3.31Å; L890-T905 WeakPolarHBondContact CA-O 3.35Å; E891-T905 PolarHBondContact N-O 3.11Å; E891-T905 PolarHBondContact O-N 3.27Å; T905-H907 VanDerWaalsContact CG2-NE2 3.28Å; T905-H907 WeakPolarHBondContact CG2-NE2 3.47Å; T905-P934 HydrophobicContact CG2-CB 3.66Å; T905-P934 HydrophobicContact CG2-CG 4.29Å; T905-M936 WeakPolarHBondContact CA-O 3.26Å; T905-V937 HydrophobicContact CG2-CG2 4.05Å |
| 906 | I | 86.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.4 | 173.2 | -60.2 | -178.1 | 0 | 0 | 0 | 107.8 | L866 F883 P886 L890 V904 P934 I935 M936 | L866-I906 HydrophobicContact CB-CD1 4.39Å; L866-I906 HydrophobicContact CD2-CD1 3.74Å; F883-I906 HydrophobicContact CE1-CD1 3.79Å; F883-I906 HydrophobicContact CZ-CD1 4.1Å; P886-I906 HydrophobicContact CG-CG2 4.08Å; L890-I906 HydrophobicContact CB-CG1 4.21Å; L890-I906 HydrophobicContact CD1-CD1 3.89Å; L890-I906 HydrophobicContact CD1-CG1 3.91Å; L890-I906 HydrophobicContact CG-CG1 4.02Å; V904-I906 HydrophobicContact CG1-CG1 4.23Å; I906-P934 CarbonylContact O-C 3.53Å; I906-P934 VanDerWaalsContact O-C 3.31Å; I906-P934 WeakPolarHBondContact O-CA 3.43Å; I906-P934 WeakPolarHBondContact O-CB 3.4Å; I906-I935 HydrophobicContact CG2-CB 4.45Å; I906-I935 PolarHBondContact O-N 3.33Å; I906-M936 HydrophobicContact CD1-CE 3.75Å; I906-M936 HydrophobicContact CG1-CE 4.25Å; I906-M936 PolarHBondContact N-O 3.2Å; I906-M936 PolarHBondContact O-N 3.11Å |
| 907 | H | 81.8 | Confident | 73.1 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -91.3 | 168.1 | 179.9 | -57.1 | -97.1 | 0 | 0 | 0 | 112 | D889 T905 H911 L912 I935 | D889-H907 HydrophobicContact CB-CB 4.27Å; D889-H907 PolarHBondContact O-CD2 3.25Å; D889-H907 PolarHBondContact O-N 3.2Å; T905-H907 VanDerWaalsContact CG2-NE2 3.28Å; T905-H907 WeakPolarHBondContact CG2-NE2 3.47Å; H907-H911 HydrophobicContact CB-CB 3.68Å; H907-H911 AromaticContact CG-CD2 3.52Å; H907-H911 AromaticContact ND1-CD2 3.2Å; H907-H911 PolarHBondContact ND1-CD2 3.26Å; H907-H911 AromaticContact ND1-NE2 3.56Å; H907-L912 VanDerWaalsContact CD2-CD2 3.45Å; H907-L912 WeakPolarHBondContact CD2-CD2 3.37Å; H907-I935 WeakPolarHBondContact O-CD1 3.42Å |
| 908 | A | 68.8 | Low | 70.6 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 13% | 0.132 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -61.4 | 145.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G910 H911 K932 | A908-G910 PolarHBondContact O-N 2.73Å; A908-H911 WeakPolarHBondContact O-CB 3.32Å; A908-H911 PolarHBondContact O-N 2.91Å; A908-K932 HydrophobicContact CB-CB 4.32Å; A908-K932 HydrophobicContact CB-CD 4.12Å |
| 909 | P | 62 | Low | 67.6 | Low | 71 Ų | 71 | 40.8 Ų | 40.8 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 124.3 | -177.3 | -31.6 | 35.6 | 0 | 0 | 0 | 114 | D889 | D889-P909 WeakPolarHBondContact OD2-CA 3.42Š|
| 910 | G | 55.8 | Low | 64.9 | Low | 5 Ų | 5 | 39.1 Ų | 39.1 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -4.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | D889 A908 L912 T913 C914 | D889-G910 VanDerWaalsContact CG-N 3.32Å; D889-G910 PolarHBondContact OD1-N 3.35Å; D889-G910 PolarHBondContact OD2-N 2.96Å; A908-G910 PolarHBondContact O-N 2.73Å; G910-L912 PolarHBondContact O-N 3.43Å; G910-T913 WeakPolarHBondContact O-CB 3.39Å; G910-T913 PolarHBondContact O-N 3.46Å; G910-T913 PolarHBondContact O-OG1 2.97Å; G910-C914 PolarHBondContact O-N 3.04Å |
| 911 | H | 62.9 | Low | 61.8 | Low | 57 Ų | 57 | 43.4 Ų | 43.4 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.4 | -39.8 | -174.6 | -179.8 | 87.5 | 0 | 0 | 0 | 113.4 | D889 H907 A908 T913 C914 Q915 | D889-H911 PolarHBondContact OD1-N 2.88Å; H907-H911 HydrophobicContact CB-CB 3.68Å; H907-H911 AromaticContact CG-CD2 3.52Å; H907-H911 AromaticContact ND1-CD2 3.2Å; H907-H911 PolarHBondContact ND1-CD2 3.26Å; H907-H911 AromaticContact ND1-NE2 3.56Å; A908-H911 WeakPolarHBondContact O-CB 3.32Å; A908-H911 PolarHBondContact O-N 2.91Å; H911-T913 VanDerWaalsContact C-N 3.29Å; H911-T913 PolarHBondContact O-N 3.39Å; H911-C914 PolarHBondContact O-N 2.9Å; H911-Q915 PolarHBondContact CD2-NE2 3.4Å; H911-Q915 PolarHBondContact NE2-NE2 3.1Å; H911-Q915 PolarHBondContact O-N 3.22Å |
| 912 | L | 57.4 | Low | 58.6 | Low | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -37.8 | 175.7 | -67.2 | -173.5 | 0 | 0 | 0 | 111.1 | D889 E891 H907 G910 C914 Q915 N916 | D889-L912 PolarHBondContact OD1-N 2.95Å; E891-L912 HydrophobicContact CG-CD1 3.64Å; E891-L912 HydrophobicContact CG-CD2 3.97Å; E891-L912 HydrophobicContact CG-CG 4.46Å; E891-L912 WeakPolarHBondContact OE1-CD2 3.31Å; H907-L912 VanDerWaalsContact CD2-CD2 3.45Å; H907-L912 WeakPolarHBondContact CD2-CD2 3.37Å; G910-L912 PolarHBondContact O-N 3.43Å; L912-C914 PolarHBondContact O-N 3.14Å; L912-Q915 PolarHBondContact O-N 3.1Å; L912-N916 PolarHBondContact O-N 2.92Å |
| 913 | T | 53 | Low | 55.6 | Low | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -28.7 | -179.2 | 80.6 | 0 | 0 | 0 | 0 | 112.6 | D678 R685 G910 H911 S917 | D678-T913 VanDerWaalsContact CG-CA 3.5Å; D678-T913 VanDerWaalsContact OD1-CB 3.23Å; D678-T913 WeakPolarHBondContact OD1-CB 3.5Å; D678-T913 WeakPolarHBondContact OD1-CG2 3.42Å; R685-T913 PolarHBondContact NH1-OG1 3.12Å; R685-T913 PolarHBondContact NH2-OG1 2.76Å; G910-T913 WeakPolarHBondContact O-CB 3.39Å; G910-T913 PolarHBondContact O-N 3.46Å; G910-T913 PolarHBondContact O-OG1 2.97Å; H911-T913 VanDerWaalsContact C-N 3.29Å; H911-T913 PolarHBondContact O-N 3.39Å; T913-S917 WeakPolarHBondContact O-CB 3.37Å; T913-S917 PolarHBondContact O-OG 2.95Å |
| 914 | C | 49.6 | Very low | 52.5 | Low | 55 Ų | 55 | 56.7 Ų | 56.7 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.9 | -27.8 | 173.5 | -65.8 | 0 | 0 | 0 | 0 | 113.5 | N682 R685 G910 H911 L912 S917 | N682-C914 PolarHBondContact OD1-SG 3.04Å; N682-C914 VanDerWaalsContact OD1-SG 3.41Å; R685-C914 PolarHBondContact NH2-SG 3.4Å; G910-C914 PolarHBondContact O-N 3.04Å; H911-C914 PolarHBondContact O-N 2.9Å; L912-C914 PolarHBondContact O-N 3.14Å; C914-S917 WeakPolarHBondContact CA-OG 3.17Å; C914-S917 PolarHBondContact O-N 3.19Å; C914-S917 PolarHBondContact O-OG 2.86Å |
| 915 | Q | 49.2 | Very low | 49.5 | Very low | 88 Ų | 88 | 62.6 Ų | 62.6 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -74.2 | -36.4 | -180 | -63 | -156 | 59 | 0 | 0 | 112.2 | H911 L912 S917 | H911-Q915 PolarHBondContact CD2-NE2 3.4Å; H911-Q915 PolarHBondContact NE2-NE2 3.1Å; H911-Q915 PolarHBondContact O-N 3.22Å; L912-Q915 PolarHBondContact O-N 3.1Å; Q915-S917 PolarHBondContact O-N 2.76Å |
| 916 | N | 41.2 | Very low | 46.9 | Very low | 100 Ų | 100 | 68.8 Ų | 68.8 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7.5 | 176.5 | -63 | -28.7 | 0 | 0 | 0 | 113.8 | D678 R750 L912 | D678-N916 PolarHBondContact OD2-ND2 2.93Å; R750-N916 PolarHBondContact NH1-O 2.84Å; R750-N916 PolarHBondContact NH2-O 3.34Å; L912-N916 PolarHBondContact O-N 2.92Å |
| 917 | S | 41.1 | Very low | 44.3 | Very low | 4 Ų | 4 | 76.6 Ų | 76.6 | 3% | 0.028 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -2.6 | -163.8 | 58.8 | 0 | 0 | 0 | 0 | 118.2 | R750 T913 C914 Q915 | R750-S917 VanDerWaalsContact CZ-CA 3.47Å; R750-S917 PolarHBondContact NE-O 3.27Å; T913-S917 WeakPolarHBondContact O-CB 3.37Å; T913-S917 PolarHBondContact O-OG 2.95Å; C914-S917 WeakPolarHBondContact CA-OG 3.17Å; C914-S917 PolarHBondContact O-N 3.19Å; C914-S917 PolarHBondContact O-OG 2.86Å; Q915-S917 PolarHBondContact O-N 2.76Å |
| 918 | S | 38.5 | Very low | 41.9 | Very low | 60 Ų | 60 | 80.1 Ų | 80.1 | 42% | 0.42 | 44% | 0.441 | S | S | . | . | trans | -151.5 | 133.9 | 171.1 | -83.9 | 0 | 0 | 0 | 0 | 114.8 | G920 | S918-G920 PolarHBondContact O-N 3.5Š| ||
| 919 | P | 29.7 | Very low | 40 | Very low | 126 Ų | 126 | 85.8 Ų | 85.8 | 82% | 0.818 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -74.3 | 90.9 | 163.1 | 32.3 | -31.8 | 0 | 0 | 0 | 109.3 | N737 | N737-P919 PolarHBondContact ND2-O 3.03Š|
| 920 | G | 32.8 | Very low | 38.6 | Very low | 36 Ų | 36 | 87.7 Ų | 87.7 | 37% | 0.371 | 48% | 0.48 | S | S | . | . | trans | 136.1 | 98.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | S918 | S918-G920 PolarHBondContact O-N 3.5Š| ||
| 921 | R | 28 | Very low | 37.9 | Very low | 189 Ų | 189 | 93.1 Ų | 93.1 | 71% | 0.713 | 52% | 0.517 | S | S | * | . | trans | -74.7 | 128.4 | 147.9 | -56.6 | 179 | -174.7 | -168.5 | 2.3 | 106.8 | ||||
| 922 | L | 26.6 | Very low | 37.4 | Very low | 120 Ų | 120 | 97.3 Ų | 97.3 | 63% | 0.628 | 54% | 0.535 | S | S | * | . | trans | -168.4 | 14.5 | 153.2 | -111.1 | 165.3 | 0 | 0 | 0 | 117.2 | T735 | T735-L922 HydrophobicContact CG2-CB 4.44Å; T735-L922 WeakPolarHBondContact OG1-CB 3.42Å; T735-L922 WeakPolarHBondContact OG1-CD1 3.46Å | ||
| 923 | F | 29.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 101.1 Ų | 101.1 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | trans | -117 | 86.4 | 159.9 | -82.8 | -91.8 | 0 | 0 | 0 | 111.6 | T735 C736 | T735-F923 WeakPolarHBondContact O-CD2 3.44Å; C736-F923 HydrophobicContact CB-CD2 3.73Å; C736-F923 HydrophobicContact CB-CE2 3.48Å; C736-F923 VanDerWaalsContact CB-CE2 3.48Å; C736-F923 HydrophobicContact CB-CZ 4.15Å | ||
| 924 | S | 27 | Very low | 38.2 | Very low | 91 Ų | 91 | 103.2 Ų | 103.2 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | trans | -63.3 | 125.5 | 143.3 | 48.4 | 0 | 0 | 0 | 0 | 108.2 | I926 | S924-I926 PolarHBondContact O-N 3.26Š| ||
| 925 | N | 30 | Very low | 39.6 | Very low | 125 Ų | 125 | 104.5 Ų | 104.5 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | trans | -55.8 | 125.6 | 164.8 | -88.1 | -7.1 | 0 | 0 | 0 | 108.4 | N927 N928 | N925-N927 PolarHBondContact O-N 2.89Å; N925-N928 HydrophobicContact CB-CB 4.28Å; N925-N928 PolarHBondContact O-N 3.02Å | ||
| 926 | I | 32.9 | Very low | 41.2 | Very low | 153 Ų | 153 | 101 Ų | 101 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -22.1 | -173 | -73 | 173.1 | 0 | 0 | 0 | 112.3 | S924 | S924-I926 PolarHBondContact O-N 3.26Š|
| 927 | N | 31.8 | Very low | 43.4 | Very low | 164 Ų | 164 | 100.3 Ų | 100.3 | 88% | 0.877 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 22.2 | 173.2 | -67.4 | -6.3 | 0 | 0 | 0 | 114.3 | N925 | N925-N927 PolarHBondContact O-N 2.89Š|
| 928 | N | 31.3 | Very low | 45.8 | Very low | 94 Ų | 94 | 100.3 Ų | 100.3 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | trans | -142.8 | 79.6 | 170.8 | -157.6 | -16.2 | 0 | 0 | 0 | 112 | N925 N930 | N925-N928 HydrophobicContact CB-CB 4.28Å; N925-N928 PolarHBondContact O-N 3.02Å; N928-N930 PolarHBondContact O-N 2.93Å | ||
| 929 | T | 28.9 | Very low | 48.3 | Very low | 135 Ų | 135 | 101.1 Ų | 101.1 | 83% | 0.828 | 56% | 0.558 | S | S | * | * | trans | -71.7 | 45 | 175.1 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 930 | N | 33.5 | Very low | 51.4 | Low | 110 Ų | 110 | 95.1 Ų | 95.1 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | trans | -124 | 80.7 | 169.2 | -81 | -70.7 | 0 | 0 | 0 | 110 | N928 K932 | N928-N930 PolarHBondContact O-N 2.93Å; N930-K932 HydrophobicContact CB-CG 4.45Å; N930-K932 PolarHBondContact O-N 3.19Å | ||
| 931 | S | 41.4 | Very low | 54.3 | Low | 120 Ų | 120 | 96.6 Ų | 96.6 | 84% | 0.839 | 52% | 0.518 | S | S | * | . | trans | -63.3 | 82.1 | 146.8 | 50.8 | 0 | 0 | 0 | 0 | 107.1 | S933 | S931-S933 PolarHBondContact O-N 3.44Š| ||
| 932 | K | 51.8 | Low | 57.4 | Low | 144 Ų | 144 | 87.9 Ų | 87.9 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | trans | -43.5 | 114.6 | -167.9 | -72.1 | -174.7 | 179.3 | 179.6 | 0 | 109.4 | A908 N930 | A908-K932 HydrophobicContact CB-CB 4.32Å; A908-K932 HydrophobicContact CB-CD 4.12Å; N930-K932 HydrophobicContact CB-CG 4.45Å; N930-K932 PolarHBondContact O-N 3.19Å | ||
| 933 | S | 58.1 | Low | 60.5 | Low | 92 Ų | 92 | 87.8 Ų | 87.8 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | trans | -54.9 | 145.5 | 177.4 | 40.5 | 0 | 0 | 0 | 0 | 109.2 | S931 I935 | S931-S933 PolarHBondContact O-N 3.44Å; S933-I935 PolarHBondContact O-N 2.93Å | ||
| 934 | P | 69.2 | Low | 63.5 | Low | 46 Ų | 46 | 84.4 Ų | 84.4 | 30% | 0.299 | 47% | 0.468 | S | S | . | . | trans | -50.1 | 131.6 | 167.9 | 21.1 | -32.8 | 0 | 0 | 0 | 109.6 | T905 I906 M936 V937 | T905-P934 HydrophobicContact CG2-CB 3.66Å; T905-P934 HydrophobicContact CG2-CG 4.29Å; I906-P934 CarbonylContact O-C 3.53Å; I906-P934 VanDerWaalsContact O-C 3.31Å; I906-P934 WeakPolarHBondContact O-CA 3.43Å; I906-P934 WeakPolarHBondContact O-CB 3.4Å; P934-M936 PolarHBondContact O-N 2.94Å; P934-M936 VanDerWaalsContact O-N 3.14Å; P934-V937 HydrophobicContact CB-CG2 3.84Å; P934-V937 HydrophobicContact CG-CG2 3.33Å | ||
| 935 | I | 79.1 | Confident | 66.6 | Low | 83 Ų | 83 | 85 Ų | 85 | 43% | 0.426 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -52.7 | -35.1 | -179.8 | -61.6 | 179.3 | 0 | 0 | 0 | 110.4 | F883 I906 H907 S933 | F883-I935 HydrophobicContact CE2-CG2 3.86Å; F883-I935 HydrophobicContact CZ-CG2 3.93Å; I906-I935 HydrophobicContact CG2-CB 4.45Å; I906-I935 PolarHBondContact O-N 3.33Å; H907-I935 WeakPolarHBondContact O-CD1 3.42Å; S933-I935 PolarHBondContact O-N 2.93Å |
| 936 | M | 82.5 | Confident | 69.5 | Low | 13 Ų | 13 | 84.1 Ų | 84.1 | 6% | 0.064 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.7 | 171.8 | -176.5 | 175.2 | 70.2 | 0 | 0 | 110 | L866 L868 F883 V904 T905 I906 P934 A938 F940 | L866-M936 HydrophobicContact CD2-CE 4.22Å; L868-M936 HydrophobicContact CD1-SD 4.22Å; F883-M936 HydrophobicContact CD1-CE 4.44Å; F883-M936 HydrophobicContact CD1-SD 4.23Å; F883-M936 HydrophobicContact CD2-SD 4.32Å; F883-M936 HydrophobicContact CE1-CE 3.98Å; F883-M936 HydrophobicContact CE1-SD 4.08Å; F883-M936 HydrophobicContact CE2-CB 3.87Å; F883-M936 HydrophobicContact CE2-CG 4.49Å; F883-M936 HydrophobicContact CE2-SD 4.15Å; F883-M936 HydrophobicContact CG-SD 4.36Å; F883-M936 HydrophobicContact CZ-CB 3.75Å; F883-M936 HydrophobicContact CZ-CE 4.24Å; F883-M936 HydrophobicContact CZ-CG 4.5Å; F883-M936 HydrophobicContact CZ-SD 4.04Å; V904-M936 HydrophobicContact CG1-CE 4.07Å; T905-M936 WeakPolarHBondContact CA-O 3.26Å; I906-M936 HydrophobicContact CD1-CE 3.75Å; I906-M936 HydrophobicContact CG1-CE 4.25Å; I906-M936 PolarHBondContact N-O 3.2Å; I906-M936 PolarHBondContact O-N 3.11Å; P934-M936 PolarHBondContact O-N 2.94Å; P934-M936 VanDerWaalsContact O-N 3.14Å; M936-A938 HydrophobicContact CG-CB 3.84Å; M936-A938 HydrophobicContact SD-CB 4.05Å; M936-F940 HydrophobicContact CE-CE1 4.03Å; M936-F940 HydrophobicContact CE-CZ 3.69Å; M936-F940 HydrophobicContact SD-CE1 4.44Å |
| 937 | V | 88.1 | Confident | 72.3 | Confident | 87 Ų | 87 | 81.1 Ų | 81.1 | 53% | 0.527 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 113.3 | 159.5 | 177.7 | 0 | 0 | 0 | 0 | 105.6 | T905 P934 | T905-V937 HydrophobicContact CG2-CG2 4.05Å; P934-V937 HydrophobicContact CB-CG2 3.84Å; P934-V937 HydrophobicContact CG-CG2 3.33Å |
| 938 | A | 91.2 | Very high | 75.2 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.033 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V848 E849 C850 V904 M936 F940 | V848-A938 HydrophobicContact CG1-CB 3.93Å; E849-A938 CarbonylContact O-C 3.44Å; E849-A938 VanDerWaalsContact O-CA 3.27Å; E849-A938 WeakPolarHBondContact O-CA 3.49Å; E849-A938 WeakPolarHBondContact O-CB 3.28Å; C850-A938 HydrophobicContact CB-CB 4.18Å; V904-A938 PolarHBondContact N-O 3.36Å; V904-A938 PolarHBondContact O-N 2.85Å; M936-A938 HydrophobicContact CG-CB 3.84Å; M936-A938 HydrophobicContact SD-CB 4.05Å; A938-F940 HydrophobicContact CB-CD1 4.28Å; A938-F940 HydrophobicContact CB-CE1 3.9Å |
| 939 | K | 91.8 | Very high | 78 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.6 | 167.5 | -49.3 | -170.8 | -155.4 | 136 | 0 | 109.1 | E849 | E849-K939 HydrophobicContact CB-CB 4.28Å; E849-K939 PolarHBondContact N-O 3.45Å; E849-K939 PolarHBondContact O-N 3.36Å; E849-K939 VanDerWaalsContact OE2-CD 3.26Å; E849-K939 WeakPolarHBondContact OE2-CD 3.49Å; E849-K939 VanDerWaalsContact OE2-CE 3.23Å; E849-K939 WeakPolarHBondContact OE2-CE 3.49Å; E849-K939 IonicContact OE2-NZ 2.69Å; E849-K939 PolarHBondContact OE2-NZ 3.03Å |
| 940 | F | 93.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.6 | 173.5 | -64.2 | -2.8 | 0 | 0 | 0 | 108.2 | C846 V848 I859 L866 L868 L902 V904 M936 A938 F942 | C846-F940 HydrophobicContact CB-CB 4.34Å; V848-F940 HydrophobicContact CB-CD1 4.3Å; V848-F940 HydrophobicContact CB-CE1 4.4Å; V848-F940 HydrophobicContact CG1-CD1 4.03Å; V848-F940 HydrophobicContact CG1-CE1 3.81Å; V848-F940 HydrophobicContact CG2-CD1 3.82Å; V848-F940 HydrophobicContact CG2-CE1 3.84Å; I859-F940 HydrophobicContact CD1-CD2 3.67Å; I859-F940 HydrophobicContact CD1-CE2 3.92Å; I859-F940 HydrophobicContact CG1-CD2 4.41Å; I859-F940 HydrophobicContact CG1-CE2 4.26Å; L866-F940 HydrophobicContact CD2-CE2 4.27Å; L866-F940 HydrophobicContact CD2-CZ 4.24Å; L868-F940 HydrophobicContact CD1-CE1 4.29Å; L868-F940 HydrophobicContact CD1-CZ 4.01Å; L868-F940 HydrophobicContact CD2-CE2 4.23Å; L868-F940 HydrophobicContact CD2-CZ 3.98Å; L902-F940 HydrophobicContact CB-CB 4.47Å; L902-F940 PolarHBondContact N-O 3.04Å; L902-F940 PolarHBondContact O-N 2.95Å; V904-F940 HydrophobicContact CB-CE1 4.49Å; V904-F940 HydrophobicContact CB-CE2 4.27Å; V904-F940 HydrophobicContact CB-CZ 4.24Å; V904-F940 HydrophobicContact CG1-CE2 4.38Å; V904-F940 HydrophobicContact CG1-CZ 4.33Å; V904-F940 HydrophobicContact CG2-CD2 3.73Å; V904-F940 HydrophobicContact CG2-CE2 3.81Å; V904-F940 HydrophobicContact CG2-CG 4.15Å; V904-F940 HydrophobicContact CG2-CZ 4.27Å; M936-F940 HydrophobicContact CE-CE1 4.03Å; M936-F940 HydrophobicContact CE-CZ 3.69Å; M936-F940 HydrophobicContact SD-CE1 4.44Å; A938-F940 HydrophobicContact CB-CD1 4.28Å; A938-F940 HydrophobicContact CB-CE1 3.9Å; F940-F942 HydrophobicContact CB-CE2 3.66Å; F940-F942 HydrophobicContact CB-CZ 3.89Å; F940-F942 HydrophobicContact CD2-CZ 4.43Å; F940-F942 WeakPolarHBondContact O-CD2 3.42Å; F940-F942 WeakPolarHBondContact O-CE2 3.44Å |
| 941 | L | 93.4 | Very high | 83.6 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 36% | 0.356 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.2 | 175.3 | -164.9 | 77.5 | 0 | 0 | 0 | 109.9 | C846 T847 C901 | C846-L941 CarbonylContact C-O 3.54Å; C846-L941 WeakPolarHBondContact CA-O 3.29Å; T847-L941 PolarHBondContact N-O 3.25Å; T847-L941 PolarHBondContact O-N 3.41Å; C901-L941 HydrophobicContact CB-CD1 4.06Å |
| 942 | F | 94.1 | Very high | 85.9 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | trans | -106.2 | 160.3 | 179.3 | -61.5 | -90.9 | 0 | 0 | 0 | 111.1 | I844 G845 C846 I859 R900 L902 F940 D944 R947 C948 A951 | I844-F942 HydrophobicContact CG2-CD1 4.02Å; I844-F942 HydrophobicContact CG2-CE1 3.73Å; G845-F942 WeakPolarHBondContact O-CD1 3.48Å; C846-F942 HydrophobicContact CB-CD1 3.91Å; C846-F942 HydrophobicContact CB-CE1 3.59Å; C846-F942 HydrophobicContact CB-CZ 3.95Å; I859-F942 HydrophobicContact CD1-CE1 3.91Å; I859-F942 HydrophobicContact CD1-CZ 3.74Å; R900-F942 WeakPolarHBondContact O-CD2 3.38Å; R900-F942 PolarHBondContact O-N 2.86Å; L902-F942 HydrophobicContact CB-CE2 3.93Å; F940-F942 HydrophobicContact CB-CE2 3.66Å; F940-F942 HydrophobicContact CB-CZ 3.89Å; F940-F942 HydrophobicContact CD2-CZ 4.43Å; F940-F942 WeakPolarHBondContact O-CD2 3.42Å; F940-F942 WeakPolarHBondContact O-CE2 3.44Å; F942-D944 VanDerWaalsContact C-N 3.26Å; F942-D944 PolarHBondContact O-N 3.42Å; F942-R947 HydrophobicContact CB-CB 4.2Å; F942-R947 HydrophobicContact CD1-CB 4.08Å; F942-R947 HydrophobicContact CG-CB 4.44Å; F942-C948 HydrophobicContact CB-CB 4.14Å; F942-C948 HydrophobicContact CD2-CB 3.66Å; F942-C948 HydrophobicContact CE2-CB 4.38Å; F942-C948 HydrophobicContact CG-CB 4.05Å; F942-A951 HydrophobicContact CE1-CB 3.56Å; F942-A951 HydrophobicContact CE2-CB 4.14Å; F942-A951 HydrophobicContact CZ-CB 3.31Å | ||
| 943 | E | 91.2 | Very high | 87.7 | Confident | 117 Ų | 117 | 61.4 Ų | 61.4 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -65.3 | -33.2 | 177.7 | -71.9 | 174.3 | -170.6 | 0 | 0 | 111.8 | R947 | E943-R947 IonicContact OE1-NH1 3.21Å; E943-R947 IonicContact OE2-CZ 3.82Å; E943-R947 IonicContact OE2-NH1 3.74Å; E943-R947 PolarHBondContact OE2-NH1 2.86Å; E943-R947 IonicContact OE2-NH2 2.71Å; E943-R947 PolarHBondContact OE2-NH2 3.22Å |
| 944 | D | 92 | Very high | 89.1 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -144.9 | 163 | -178.1 | 62.1 | 70.8 | 0 | 0 | 0 | 111.6 | F942 I946 R947 C948 | F942-D944 VanDerWaalsContact C-N 3.26Å; F942-D944 PolarHBondContact O-N 3.42Å; D944-I946 PolarHBondContact O-N 3.03Å; D944-I946 WeakPolarHBondContact OD1-CA 3.2Å; D944-I946 VanDerWaalsContact OD1-CB 3.31Å; D944-I946 WeakPolarHBondContact OD1-CB 3.47Å; D944-I946 PolarHBondContact OD1-N 3.27Å; D944-R947 PolarHBondContact OD1-N 3.45Å; D944-R947 IonicContact OD2-CZ 2.75Å; D944-R947 IonicContact OD2-NE 2.66Å; D944-R947 PolarHBondContact OD2-NE 3.35Å; D944-R947 IonicContact OD2-NH2 3.91Å; D944-R947 PolarHBondContact OD2-NH2 3.13Å; D944-R947 VanDerWaalsContact OD2-NH2 3.1Å; D944-C948 PolarHBondContact O-N 2.82Å |
| 945 | H | 91.7 | Very high | 90 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 49% | 0.486 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.3 | -21.4 | -178.1 | 75.1 | -92.3 | 0 | 0 | 0 | 112.8 | M949 | H945-M949 WeakPolarHBondContact O-CB 3.35Å; H945-M949 WeakPolarHBondContact O-CG 3.49Å; H945-M949 PolarHBondContact O-N 3.2Å |
| 946 | I | 92.1 | Very high | 90.3 | Very high | 106 Ų | 106 | 55 Ų | 55 | 54% | 0.544 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.1 | -50.3 | -179.9 | -56.5 | 172.2 | 0 | 0 | 0 | 108 | D944 C948 M949 T950 | D944-I946 PolarHBondContact O-N 3.03Å; D944-I946 WeakPolarHBondContact OD1-CA 3.2Å; D944-I946 VanDerWaalsContact OD1-CB 3.31Å; D944-I946 WeakPolarHBondContact OD1-CB 3.47Å; D944-I946 PolarHBondContact OD1-N 3.27Å; I946-C948 VanDerWaalsContact C-N 3.34Å; I946-C948 PolarHBondContact O-N 3.18Å; I946-M949 CarbonylContact O-C 3.52Å; I946-M949 PolarHBondContact O-N 3.24Å; I946-M949 VanDerWaalsContact O-N 3.11Å; I946-T950 PolarHBondContact O-N 3.45Å; I946-T950 PolarHBondContact O-OG1 2.95Å |
| 947 | R | 91.5 | Very high | 90.5 | Very high | 90 Ų | 90 | 62.3 Ų | 62.3 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 175.1 | -71 | -172.2 | -121.1 | 177.4 | 7.2 | 113.1 | I844 F942 E943 D944 T950 A951 | I844-R947 HydrophobicContact CG2-CB 4.34Å; F942-R947 HydrophobicContact CB-CB 4.2Å; F942-R947 HydrophobicContact CD1-CB 4.08Å; F942-R947 HydrophobicContact CG-CB 4.44Å; E943-R947 IonicContact OE1-NH1 3.21Å; E943-R947 IonicContact OE2-CZ 3.82Å; E943-R947 IonicContact OE2-NH1 3.74Å; E943-R947 PolarHBondContact OE2-NH1 2.86Å; E943-R947 IonicContact OE2-NH2 2.71Å; E943-R947 PolarHBondContact OE2-NH2 3.22Å; D944-R947 PolarHBondContact OD1-N 3.45Å; D944-R947 IonicContact OD2-CZ 2.75Å; D944-R947 IonicContact OD2-NE 2.66Å; D944-R947 PolarHBondContact OD2-NE 3.35Å; D944-R947 IonicContact OD2-NH2 3.91Å; D944-R947 PolarHBondContact OD2-NH2 3.13Å; D944-R947 VanDerWaalsContact OD2-NH2 3.1Å; R947-T950 PolarHBondContact O-N 3.01Å; R947-A951 WeakPolarHBondContact O-CB 3.31Å; R947-A951 PolarHBondContact O-N 3.16Å |
| 948 | C | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.7 | -48.4 | 171.2 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | S899 F942 D944 I946 A951 R952 | S899-C948 WeakPolarHBondContact O-CB 3.34Å; S899-C948 PolarHBondContact O-SG 3.15Å; F942-C948 HydrophobicContact CB-CB 4.14Å; F942-C948 HydrophobicContact CD2-CB 3.66Å; F942-C948 HydrophobicContact CE2-CB 4.38Å; F942-C948 HydrophobicContact CG-CB 4.05Å; D944-C948 PolarHBondContact O-N 2.82Å; I946-C948 VanDerWaalsContact C-N 3.34Å; I946-C948 PolarHBondContact O-N 3.18Å; C948-A951 PolarHBondContact O-N 3.15Å; C948-R952 WeakPolarHBondContact O-CB 3.48Å; C948-R952 PolarHBondContact O-N 3.33Å |
| 949 | M | 89.1 | Confident | 90 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 176.1 | -78 | -65.9 | -67.4 | 0 | 0 | 113.1 | H945 I946 R952 Q953 | H945-M949 WeakPolarHBondContact O-CB 3.35Å; H945-M949 WeakPolarHBondContact O-CG 3.49Å; H945-M949 PolarHBondContact O-N 3.2Å; I946-M949 CarbonylContact O-C 3.52Å; I946-M949 PolarHBondContact O-N 3.24Å; I946-M949 VanDerWaalsContact O-N 3.11Å; M949-R952 PolarHBondContact O-N 3.44Å; M949-Q953 VanDerWaalsContact O-CB 3.32Å; M949-Q953 WeakPolarHBondContact O-CB 3.25Å; M949-Q953 VanDerWaalsContact O-CG 3.26Å; M949-Q953 WeakPolarHBondContact O-CG 3.29Å; M949-Q953 PolarHBondContact O-N 2.75Å |
| 950 | T | 91 | Very high | 89.5 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 173.8 | -51.4 | 0 | 0 | 0 | 0 | 111 | I844 I946 R947 Q953 L954 | I844-T950 HydrophobicContact CD1-CG2 3.9Å; I946-T950 PolarHBondContact O-N 3.45Å; I946-T950 PolarHBondContact O-OG1 2.95Å; R947-T950 PolarHBondContact O-N 3.01Å; T950-Q953 PolarHBondContact O-N 3.06Å; T950-L954 VanDerWaalsContact O-CB 3.29Å; T950-L954 WeakPolarHBondContact O-CB 3.46Å; T950-L954 PolarHBondContact O-N 3.42Å |
| 951 | A | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I844 I859 F942 R947 C948 Q953 L954 L955 | I844-A951 HydrophobicContact CD1-CB 4.07Å; I844-A951 HydrophobicContact CG2-CB 4.39Å; I859-A951 HydrophobicContact CD1-CB 4.15Å; F942-A951 HydrophobicContact CE1-CB 3.56Å; F942-A951 HydrophobicContact CE2-CB 4.14Å; F942-A951 HydrophobicContact CZ-CB 3.31Å; R947-A951 WeakPolarHBondContact O-CB 3.31Å; R947-A951 PolarHBondContact O-N 3.16Å; C948-A951 PolarHBondContact O-N 3.15Å; A951-Q953 VanDerWaalsContact C-N 3.32Å; A951-Q953 PolarHBondContact O-N 2.99Å; A951-L954 PolarHBondContact O-N 3.25Å; A951-L955 VanDerWaalsContact O-CG 3.31Å; A951-L955 WeakPolarHBondContact O-CG 3.35Å; A951-L955 PolarHBondContact O-N 2.87Å |
| 952 | R | 89.4 | Confident | 88.6 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 176.2 | -175.6 | 175.5 | 168.1 | -136.3 | -5.8 | 112.3 | C894 L902 C948 M949 S956 | C894-R952 WeakPolarHBondContact SG-CD 3.45Å; L902-R952 HydrophobicContact CD1-CB 3.87Å; L902-R952 HydrophobicContact CD1-CG 3.96Å; L902-R952 HydrophobicContact CD2-CB 4.1Å; C948-R952 WeakPolarHBondContact O-CB 3.48Å; C948-R952 PolarHBondContact O-N 3.33Å; M949-R952 PolarHBondContact O-N 3.44Å; R952-S956 VanDerWaalsContact O-CB 3.23Å; R952-S956 WeakPolarHBondContact O-CB 3.44Å; R952-S956 PolarHBondContact O-N 2.91Å; R952-S956 PolarHBondContact O-OG 3.47Å |
| 953 | Q | 89.6 | Confident | 88.2 | Confident | 123 Ų | 123 | 62.6 Ų | 62.6 | 58% | 0.575 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 175.1 | -77.1 | 177.2 | -3.8 | 0 | 0 | 111.8 | M949 T950 A951 S956 R957 | M949-Q953 VanDerWaalsContact O-CB 3.32Å; M949-Q953 WeakPolarHBondContact O-CB 3.25Å; M949-Q953 VanDerWaalsContact O-CG 3.26Å; M949-Q953 WeakPolarHBondContact O-CG 3.29Å; M949-Q953 PolarHBondContact O-N 2.75Å; T950-Q953 PolarHBondContact O-N 3.06Å; A951-Q953 VanDerWaalsContact C-N 3.32Å; A951-Q953 PolarHBondContact O-N 2.99Å; Q953-S956 PolarHBondContact O-N 2.9Å; Q953-R957 WeakPolarHBondContact O-CB 3.39Å; Q953-R957 PolarHBondContact O-N 3.43Å |
| 954 | L | 87.6 | Confident | 88.1 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 176 | 175.6 | 148.2 | 0 | 0 | 0 | 111.5 | I844 I859 T950 A951 G958 | I844-L954 HydrophobicContact CD1-CB 4.49Å; I844-L954 HydrophobicContact CD1-CD1 4.03Å; I859-L954 HydrophobicContact CG2-CD2 4.16Å; T950-L954 VanDerWaalsContact O-CB 3.29Å; T950-L954 WeakPolarHBondContact O-CB 3.46Å; T950-L954 PolarHBondContact O-N 3.42Å; A951-L954 PolarHBondContact O-N 3.25Å; L954-G958 PolarHBondContact O-N 3.2Å |
| 955 | L | 88.2 | Confident | 87.8 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 177.5 | -64.7 | 177 | 0 | 0 | 0 | 111.7 | L866 L887 L890 L902 V904 A951 G958 K959 | L866-L955 HydrophobicContact CD1-CD2 3.76Å; L866-L955 HydrophobicContact CD2-CD2 4.46Å; L887-L955 HydrophobicContact CD2-CD2 4Å; L890-L955 HydrophobicContact CD1-CD1 4.38Å; L890-L955 HydrophobicContact CD1-CD2 4Å; L890-L955 HydrophobicContact CD2-CB 4.18Å; L890-L955 HydrophobicContact CD2-CD1 4.36Å; L902-L955 HydrophobicContact CD2-CD1 3.92Å; V904-L955 HydrophobicContact CG2-CD1 4.21Å; A951-L955 VanDerWaalsContact O-CG 3.31Å; A951-L955 WeakPolarHBondContact O-CG 3.35Å; A951-L955 PolarHBondContact O-N 2.87Å; L955-G958 PolarHBondContact O-N 3.03Å; L955-K959 PolarHBondContact O-N 2.79Å |
| 956 | S | 85.3 | Confident | 87.6 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 179.7 | -55 | 0 | 0 | 0 | 0 | 111.5 | R952 Q953 K959 T960 | R952-S956 VanDerWaalsContact O-CB 3.23Å; R952-S956 WeakPolarHBondContact O-CB 3.44Å; R952-S956 PolarHBondContact O-N 2.91Å; R952-S956 PolarHBondContact O-OG 3.47Å; Q953-S956 PolarHBondContact O-N 2.9Å; S956-K959 PolarHBondContact O-N 3.22Å; S956-T960 PolarHBondContact O-N 3.23Å; S956-T960 VanDerWaalsContact O-N 3.07Å; S956-T960 PolarHBondContact O-OG1 3.42Å |
| 957 | R | 85.5 | Confident | 87.5 | Confident | 167 Ų | 167 | 48.6 Ų | 48.6 | 63% | 0.63 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.3 | -40.5 | 175.7 | -175.3 | 177.2 | -178.8 | 126.9 | 4.3 | 111.2 | Q953 T960 V961 | Q953-R957 WeakPolarHBondContact O-CB 3.39Å; Q953-R957 PolarHBondContact O-N 3.43Å; R957-T960 PolarHBondContact O-N 3.06Å; R957-V961 HydrophobicContact CG-CG2 4.46Å; R957-V961 WeakPolarHBondContact O-CB 3.31Å; R957-V961 VanDerWaalsContact O-CG2 3.28Å; R957-V961 WeakPolarHBondContact O-CG2 3.42Å; R957-V961 PolarHBondContact O-N 3.38Å |
| 958 | G | 84.2 | Confident | 87.4 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -50.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L954 L955 T960 V961 V962 | L954-G958 PolarHBondContact O-N 3.2Å; L955-G958 PolarHBondContact O-N 3.03Å; G958-T960 PolarHBondContact O-N 3.29Å; G958-V961 PolarHBondContact O-N 3.42Å; G958-V961 VanDerWaalsContact O-N 3.14Å; G958-V962 WeakPolarHBondContact O-CG2 3.45Å; G958-V962 PolarHBondContact O-N 3.15Å |
| 959 | K | 84.4 | Confident | 87.3 | Confident | 61 Ų | 61 | 50 Ų | 50 | 27% | 0.265 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.4 | -50.3 | 174.9 | -177.3 | 165.4 | -178.1 | 162.8 | 0 | 112.2 | L887 Q888 L890 L955 S956 V961 V962 E963 | L887-K959 WeakPolarHBondContact O-CB 3.38Å; Q888-K959 WeakPolarHBondContact O-CE 3.44Å; Q888-K959 PolarHBondContact O-NZ 2.92Å; Q888-K959 VanDerWaalsContact O-NZ 3.11Å; L890-K959 WeakPolarHBondContact O-CD 3.45Å; L890-K959 PolarHBondContact O-NZ 3.17Å; L955-K959 PolarHBondContact O-N 2.79Å; S956-K959 PolarHBondContact O-N 3.22Å; K959-V961 VanDerWaalsContact C-N 3.31Å; K959-V961 PolarHBondContact O-N 3.47Å; K959-V962 PolarHBondContact O-N 3.5Å; K959-E963 WeakPolarHBondContact O-CB 3.29Å; K959-E963 PolarHBondContact O-N 2.65Å |
| 960 | T | 83.1 | Confident | 87.4 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.4 | -33.5 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 113 | S956 R957 G958 Q964 | S956-T960 PolarHBondContact O-N 3.23Å; S956-T960 VanDerWaalsContact O-N 3.07Å; S956-T960 PolarHBondContact O-OG1 3.42Å; R957-T960 PolarHBondContact O-N 3.06Å; G958-T960 PolarHBondContact O-N 3.29Å; T960-Q964 HydrophobicContact CG2-CG 4.38Å; T960-Q964 WeakPolarHBondContact O-CB 3.3Å; T960-Q964 VanDerWaalsContact O-CG 3.29Å; T960-Q964 WeakPolarHBondContact O-CG 3.15Å; T960-Q964 PolarHBondContact O-N 3.46Å |
| 961 | V | 85 | Confident | 87.5 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 39% | 0.394 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.2 | -38.7 | 174.8 | 166.6 | 0 | 0 | 0 | 0 | 111.5 | R957 G958 K959 T965 | R957-V961 HydrophobicContact CG-CG2 4.46Å; R957-V961 WeakPolarHBondContact O-CB 3.31Å; R957-V961 VanDerWaalsContact O-CG2 3.28Å; R957-V961 WeakPolarHBondContact O-CG2 3.42Å; R957-V961 PolarHBondContact O-N 3.38Å; G958-V961 PolarHBondContact O-N 3.42Å; G958-V961 VanDerWaalsContact O-N 3.14Å; K959-V961 VanDerWaalsContact C-N 3.31Å; K959-V961 PolarHBondContact O-N 3.47Å; V961-T965 VanDerWaalsContact O-CB 3.25Å; V961-T965 WeakPolarHBondContact O-CB 3.42Å; V961-T965 PolarHBondContact O-N 3.09Å; V961-T965 PolarHBondContact O-OG1 3.34Å |
| 962 | V | 83.3 | Confident | 87.5 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -47.9 | 173.2 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | Q864 L887 Q888 G958 K959 T965 K966 | Q864-V962 HydrophobicContact CB-CG2 3.71Å; Q864-V962 HydrophobicContact CG-CG2 3.9Å; L887-V962 HydrophobicContact CB-CG2 4.1Å; Q888-V962 HydrophobicContact CB-CG1 4.12Å; G958-V962 WeakPolarHBondContact O-CG2 3.45Å; G958-V962 PolarHBondContact O-N 3.15Å; K959-V962 PolarHBondContact O-N 3.5Å; V962-T965 PolarHBondContact O-N 2.73Å; V962-T965 VanDerWaalsContact O-N 3.13Å; V962-K966 PolarHBondContact O-N 2.64Å |
| 963 | E | 85.1 | Confident | 87.6 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56 | -52.6 | 176.5 | -173.6 | -167 | 153.2 | 0 | 0 | 111.5 | A674 L677 K959 T965 K966 L967 | A674-E963 WeakPolarHBondContact CA-OE1 3.28Å; A674-E963 PolarHBondContact N-OE1 3.05Å; L677-E963 HydrophobicContact CD2-CB 4.45Å; L677-E963 HydrophobicContact CD2-CG 3.98Å; K959-E963 WeakPolarHBondContact O-CB 3.29Å; K959-E963 PolarHBondContact O-N 2.65Å; E963-T965 VanDerWaalsContact C-N 3.29Å; E963-T965 PolarHBondContact O-N 3.34Å; E963-K966 PolarHBondContact O-N 2.7Å; E963-L967 HydrophobicContact CG-CD1 4.04Å; E963-L967 WeakPolarHBondContact O-CB 3.26Å; E963-L967 WeakPolarHBondContact O-CG 3.47Å; E963-L967 PolarHBondContact O-N 2.88Å |
| 964 | Q | 87.7 | Confident | 87.8 | Confident | 28 Ų | 28 | 37 Ų | 37 | 13% | 0.131 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -34.3 | 175.9 | -73.8 | -179.8 | 13.4 | 0 | 0 | 112.5 | T960 R968 F985 | T960-Q964 HydrophobicContact CG2-CG 4.38Å; T960-Q964 WeakPolarHBondContact O-CB 3.3Å; T960-Q964 VanDerWaalsContact O-CG 3.29Å; T960-Q964 WeakPolarHBondContact O-CG 3.15Å; T960-Q964 PolarHBondContact O-N 3.46Å; Q964-R968 VanDerWaalsContact O-CB 3.31Å; Q964-R968 WeakPolarHBondContact O-CB 3.44Å; Q964-R968 WeakPolarHBondContact O-CG 3.22Å; Q964-R968 PolarHBondContact O-N 3.2Å; Q964-F985 HydrophobicContact CB-CD1 4.33Å; Q964-F985 HydrophobicContact CG-CD1 4.42Å |
| 965 | T | 86.9 | Confident | 88 | Confident | 38 Ų | 38 | 40.1 Ų | 40.1 | 23% | 0.233 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.2 | -40 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | V961 V962 E963 K969 | V961-T965 VanDerWaalsContact O-CB 3.25Å; V961-T965 WeakPolarHBondContact O-CB 3.42Å; V961-T965 PolarHBondContact O-N 3.09Å; V961-T965 PolarHBondContact O-OG1 3.34Å; V962-T965 PolarHBondContact O-N 2.73Å; V962-T965 VanDerWaalsContact O-N 3.13Å; E963-T965 VanDerWaalsContact C-N 3.29Å; E963-T965 PolarHBondContact O-N 3.34Å; T965-K969 PolarHBondContact O-N 2.05Å; T965-K969 VanDerWaalsContact O-N 3.07Å |
| 966 | K | 87.8 | Confident | 88.1 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.4 | -45.5 | 173.5 | -74.8 | -169.7 | 170.7 | -171.4 | 0 | 112 | L677 E681 G816 F817 Q888 V962 E963 R968 K969 I970 | L677-K966 HydrophobicContact CD1-CB 3.72Å; L677-K966 HydrophobicContact CD1-CD 4.25Å; L677-K966 HydrophobicContact CD2-CB 3.94Å; L677-K966 HydrophobicContact CD2-CD 4.33Å; E681-K966 IonicContact OE1-NZ 3.42Å; E681-K966 PolarHBondContact OE1-NZ 3.07Å; E681-K966 IonicContact OE2-NZ 3.19Å; E681-K966 PolarHBondContact OE2-NZ 3.48Å; G816-K966 WeakPolarHBondContact O-CE 3.46Å; F817-K966 HydrophobicContact CD1-CD 4.25Å; F817-K966 HydrophobicContact CD1-CG 4.42Å; F817-K966 HydrophobicContact CE1-CB 3.86Å; F817-K966 HydrophobicContact CE1-CD 4.43Å; F817-K966 HydrophobicContact CE1-CG 4.19Å; F817-K966 WeakPolarHBondContact CZ-O 3.44Å; Q888-K966 VanDerWaalsContact OE1-CE 3.31Å; V962-K966 PolarHBondContact O-N 2.64Å; E963-K966 PolarHBondContact O-N 2.7Å; K966-R968 VanDerWaalsContact C-N 3.32Å; K966-R968 PolarHBondContact O-N 3.02Å; K966-K969 WeakPolarHBondContact O-CA 3.41Å; K966-K969 WeakPolarHBondContact O-CB 3.36Å; K966-K969 PolarHBondContact O-N 3.28Å; K966-I970 PolarHBondContact O-N 3.49Å |
| 967 | L | 89.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 175.3 | -74.9 | 167.9 | 0 | 0 | 0 | 112.6 | I672 F676 L677 E963 I970 A971 F985 | I672-L967 HydrophobicContact CG2-CD1 4.05Å; F676-L967 HydrophobicContact CD1-CD2 4.15Å; L677-L967 HydrophobicContact CB-CD2 3.98Å; L677-L967 HydrophobicContact CB-CG 4.24Å; E963-L967 HydrophobicContact CG-CD1 4.04Å; E963-L967 WeakPolarHBondContact O-CB 3.26Å; E963-L967 WeakPolarHBondContact O-CG 3.47Å; E963-L967 PolarHBondContact O-N 2.88Å; L967-I970 PolarHBondContact O-N 3.17Å; L967-A971 WeakPolarHBondContact O-CB 3.43Å; L967-A971 PolarHBondContact O-N 3.23Å; L967-F985 HydrophobicContact CB-CE1 3.61Å; L967-F985 HydrophobicContact CB-CZ 3.88Å |
| 968 | R | 89.8 | Confident | 88.2 | Confident | 74 Ų | 74 | 39.5 Ų | 39.5 | 28% | 0.279 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -41.9 | 169.3 | -77.4 | 170.7 | -172.4 | 159.8 | 6.7 | 112.1 | Q964 K966 A971 S972 I981 F985 | Q964-R968 VanDerWaalsContact O-CB 3.31Å; Q964-R968 WeakPolarHBondContact O-CB 3.44Å; Q964-R968 WeakPolarHBondContact O-CG 3.22Å; Q964-R968 PolarHBondContact O-N 3.2Å; K966-R968 VanDerWaalsContact C-N 3.32Å; K966-R968 PolarHBondContact O-N 3.02Å; R968-A971 PolarHBondContact O-N 3.14Å; R968-S972 PolarHBondContact O-N 3.09Å; R968-S972 PolarHBondContact O-OG 3.13Å; R968-I981 HydrophobicContact CG-CG2 4.18Å; R968-F985 HydrophobicContact CG-CB 3.97Å; R968-F985 HydrophobicContact CG-CD1 3.7Å; R968-F985 HydrophobicContact CG-CD2 3.82Å; R968-F985 HydrophobicContact CG-CE1 4.02Å; R968-F985 HydrophobicContact CG-CE2 4.14Å; R968-F985 HydrophobicContact CG-CG 3.58Å; R968-F985 HydrophobicContact CG-CZ 4.22Å; R968-F985 VanDerWaalsContact NE-CB 3.28Å; R968-F985 PolarHBondContact NH2-O 3.4Å |
| 969 | K | 89.7 | Confident | 88.1 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.3 | -79.8 | -177.6 | 170.7 | -172.5 | 0 | 111.7 | G815 F817 D822 T965 K966 S972 L973 | G815-K969 PolarHBondContact O-NZ 3.1Å; F817-K969 HydrophobicContact CE2-CB 3.71Å; F817-K969 HydrophobicContact CE2-CD 4.13Å; F817-K969 HydrophobicContact CZ-CB 3.52Å; F817-K969 HydrophobicContact CZ-CD 4.42Å; D822-K969 IonicContact OD2-NZ 3.86Å; D822-K969 PolarHBondContact OD2-NZ 3.27Å; T965-K969 PolarHBondContact O-N 2.05Å; T965-K969 VanDerWaalsContact O-N 3.07Å; K966-K969 WeakPolarHBondContact O-CA 3.41Å; K966-K969 WeakPolarHBondContact O-CB 3.36Å; K966-K969 PolarHBondContact O-N 3.28Å; K969-S972 WeakPolarHBondContact CA-OG 3.34Å; K969-S972 PolarHBondContact O-N 2.97Å; K969-S972 PolarHBondContact O-OG 3.39Å; K969-L973 WeakPolarHBondContact O-CB 3.4Å; K969-L973 PolarHBondContact O-N 3.31Å |
| 970 | I | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 174 | -53.9 | 172.6 | 0 | 0 | 0 | 110 | F670 F676 L677 F680 F817 K966 L967 S972 L973 L974 | F670-I970 HydrophobicContact CD2-CG2 4.27Å; F670-I970 HydrophobicContact CE2-CB 4.1Å; F670-I970 HydrophobicContact CE2-CG2 3.96Å; F676-I970 HydrophobicContact CE1-CD1 4.22Å; F676-I970 HydrophobicContact CE1-CG2 4.1Å; L677-I970 HydrophobicContact CD1-CD1 3.89Å; F680-I970 HydrophobicContact CB-CD1 3.84Å; F680-I970 HydrophobicContact CD1-CD1 3.62Å; F680-I970 HydrophobicContact CD1-CG1 4.04Å; F680-I970 HydrophobicContact CD2-CD1 4.06Å; F680-I970 HydrophobicContact CD2-CG1 4.49Å; F680-I970 HydrophobicContact CD2-CG2 4.27Å; F680-I970 HydrophobicContact CE1-CD1 4.17Å; F680-I970 HydrophobicContact CE1-CG1 4.07Å; F680-I970 HydrophobicContact CE2-CG2 4.13Å; F680-I970 HydrophobicContact CG-CD1 3.56Å; F680-I970 HydrophobicContact CG-CG1 4.26Å; F680-I970 HydrophobicContact CZ-CG1 4.31Å; F817-I970 HydrophobicContact CE1-CD1 3.99Å; F817-I970 HydrophobicContact CE1-CG1 3.59Å; F817-I970 HydrophobicContact CZ-CD1 4.37Å; F817-I970 HydrophobicContact CZ-CG1 3.47Å; F817-I970 VanDerWaalsContact CZ-CG1 3.47Å; K966-I970 PolarHBondContact O-N 3.49Å; L967-I970 PolarHBondContact O-N 3.17Å; I970-S972 VanDerWaalsContact C-N 3.27Å; I970-S972 PolarHBondContact O-N 3.33Å; I970-L973 PolarHBondContact O-N 2.61Å; I970-L974 HydrophobicContact CG2-CD1 3.75Å; I970-L974 HydrophobicContact CG2-CG 4.02Å; I970-L974 WeakPolarHBondContact O-CG 3.4Å; I970-L974 PolarHBondContact O-N 3.36Å |
| 971 | A | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -36 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F670 L967 R968 L974 D975 F976 I981 F985 | F670-A971 HydrophobicContact CE1-CB 4.19Å; F670-A971 HydrophobicContact CZ-CB 3.84Å; L967-A971 WeakPolarHBondContact O-CB 3.43Å; L967-A971 PolarHBondContact O-N 3.23Å; R968-A971 PolarHBondContact O-N 3.14Å; A971-L974 CarbonylContact O-C 3.59Å; A971-D975 PolarHBondContact O-N 3.13Å; A971-F976 HydrophobicContact CB-CB 4.31Å; A971-F976 HydrophobicContact CB-CD2 4.2Å; A971-F976 WeakPolarHBondContact O-CB 3.44Å; A971-F976 WeakPolarHBondContact O-CD2 3.47Å; A971-F976 PolarHBondContact O-N 3.25Å; A971-I981 HydrophobicContact CB-CD1 4.08Å; A971-I981 HydrophobicContact CB-CG1 4.02Å; A971-F985 HydrophobicContact CB-CE2 4.18Å |
| 972 | S | 91.2 | Very high | 88 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 46% | 0.462 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -77.2 | -23.4 | 173 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | R968 K969 I970 | R968-S972 PolarHBondContact O-N 3.09Å; R968-S972 PolarHBondContact O-OG 3.13Å; K969-S972 WeakPolarHBondContact CA-OG 3.34Å; K969-S972 PolarHBondContact O-N 2.97Å; K969-S972 PolarHBondContact O-OG 3.39Å; I970-S972 VanDerWaalsContact C-N 3.27Å; I970-S972 PolarHBondContact O-N 3.33Å |
| 973 | L | 91.9 | Very high | 87.9 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -78.3 | -26.6 | 173.4 | 173.4 | 61.2 | 0 | 0 | 0 | 111.6 | F680 Y760 L814 K969 I970 | F680-L973 HydrophobicContact CZ-CD2 3.94Å; Y760-L973 HydrophobicContact CE1-CD2 4.29Å; Y760-L973 HydrophobicContact CE1-CG 4.18Å; Y760-L973 WeakPolarHBondContact OH-CD1 3.21Å; Y760-L973 WeakPolarHBondContact OH-CG 3.45Å; Y760-L973 PolarHBondContact OH-O 2.97Å; L814-L973 HydrophobicContact CD2-CD2 3.77Å; K969-L973 WeakPolarHBondContact O-CB 3.4Å; K969-L973 PolarHBondContact O-N 3.31Å; I970-L973 PolarHBondContact O-N 2.61Å |
| 974 | L | 93 | Very high | 87.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 27 | 173.7 | -56.3 | 179.9 | 0 | 0 | 0 | 112.5 | M663 L666 R667 F670 Y760 I970 A971 F976 | M663-L974 HydrophobicContact CG-CB 4.23Å; M663-L974 HydrophobicContact CG-CD2 3.79Å; L666-L974 HydrophobicContact CD2-CD1 4.27Å; L666-L974 HydrophobicContact CD2-CD2 3.74Å; L666-L974 HydrophobicContact CG-CD1 3.97Å; L666-L974 HydrophobicContact CG-CD2 4.12Å; R667-L974 WeakPolarHBondContact CD-O 3.14Å; R667-L974 HydrophobicContact CG-CB 3.81Å; R667-L974 HydrophobicContact CG-CD1 4.42Å; R667-L974 PolarHBondContact NE-O 3.33Å; R667-L974 PolarHBondContact NH1-O 2.98Å; F670-L974 HydrophobicContact CD2-CD1 3.95Å; F670-L974 HydrophobicContact CG-CD1 4.5Å; Y760-L974 HydrophobicContact CD1-CD2 4.28Å; Y760-L974 HydrophobicContact CE1-CD2 3.88Å; Y760-L974 HydrophobicContact CE2-CD2 4.14Å; I970-L974 HydrophobicContact CG2-CD1 3.75Å; I970-L974 HydrophobicContact CG2-CG 4.02Å; I970-L974 WeakPolarHBondContact O-CG 3.4Å; I970-L974 PolarHBondContact O-N 3.36Å; A971-L974 CarbonylContact O-C 3.59Å; L974-F976 VanDerWaalsContact C-N 3.26Å; L974-F976 HydrophobicContact CB-CD2 4Å; L974-F976 HydrophobicContact CB-CE2 3.99Å; L974-F976 HydrophobicContact CD1-CE2 4.41Å; L974-F976 PolarHBondContact O-N 3.14Å |
| 975 | D | 91.6 | Very high | 87.3 | Confident | 100 Ų | 100 | 57.9 Ų | 57.9 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40.5 | 44.4 | 177 | -74.4 | -45.1 | 0 | 0 | 0 | 115.8 | M663 R667 A971 | M663-D975 HydrophobicContact CE-CB 4.42Å; M663-D975 WeakPolarHBondContact CE-OD2 3.42Å; M663-D975 HydrophobicContact SD-CB 4.02Å; R667-D975 VanDerWaalsContact CZ-O 3.24Å; R667-D975 PolarHBondContact NH1-O 3.43Å; R667-D975 PolarHBondContact NH2-O 3.42Å; A971-D975 PolarHBondContact O-N 3.13Å |
| 976 | F | 91.2 | Very high | 86.4 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 13% | 0.132 | 30% | 0.297 | C | S | . | . | trans | -71.5 | 137.6 | 169.5 | -80.1 | -87.6 | 0 | 0 | 0 | 111 | R667 F670 A971 L974 F980 I981 | R667-F976 HydrophobicContact CB-CE2 4.21Å; R667-F976 HydrophobicContact CB-CZ 3.94Å; R667-F976 HydrophobicContact CG-CD2 4.49Å; R667-F976 HydrophobicContact CG-CE2 3.72Å; R667-F976 HydrophobicContact CG-CZ 3.93Å; F670-F976 HydrophobicContact CB-CE2 3.98Å; F670-F976 HydrophobicContact CB-CZ 3.92Å; F670-F976 HydrophobicContact CD1-CD2 4.5Å; F670-F976 AromaticContact CD1-CE2 3.76Å; F670-F976 HydrophobicContact CD1-CE2 3.76Å; F670-F976 AromaticContact CD1-CZ 3.82Å; F670-F976 HydrophobicContact CD1-CZ 3.82Å; F670-F976 HydrophobicContact CD2-CE2 4.45Å; F670-F976 HydrophobicContact CE1-CE2 4.42Å; F670-F976 AromaticContact CG-CE2 3.78Å; F670-F976 HydrophobicContact CG-CE2 3.78Å; F670-F976 HydrophobicContact CG-CZ 4.03Å; A971-F976 HydrophobicContact CB-CB 4.31Å; A971-F976 HydrophobicContact CB-CD2 4.2Å; A971-F976 WeakPolarHBondContact O-CB 3.44Å; A971-F976 WeakPolarHBondContact O-CD2 3.47Å; A971-F976 PolarHBondContact O-N 3.25Å; L974-F976 VanDerWaalsContact C-N 3.26Å; L974-F976 HydrophobicContact CB-CD2 4Å; L974-F976 HydrophobicContact CB-CE2 3.99Å; L974-F976 HydrophobicContact CD1-CE2 4.41Å; L974-F976 PolarHBondContact O-N 3.14Å; F976-F980 HydrophobicContact CB-CD1 3.73Å; F976-F980 HydrophobicContact CB-CE1 4.19Å; F976-F980 HydrophobicContact CB-CG 4.5Å; F976-F980 AromaticContact CD1-CD1 3.47Å; F976-F980 HydrophobicContact CD1-CD1 3.47Å; F976-F980 VanDerWaalsContact CD1-CD1 3.47Å; F976-F980 HydrophobicContact CD1-CD2 4.32Å; F976-F980 AromaticContact CD1-CE1 3.38Å; F976-F980 HydrophobicContact CD1-CE1 3.38Å; F976-F980 HydrophobicContact CD1-CE2 4.24Å; F976-F980 AromaticContact CD1-CG 3.96Å; F976-F980 HydrophobicContact CD1-CG 3.96Å; F976-F980 AromaticContact CD1-CZ 3.78Å; F976-F980 HydrophobicContact CD1-CZ 3.78Å; F976-F980 HydrophobicContact CE1-CD1 4.31Å; F976-F980 AromaticContact CE1-CE1 3.79Å; F976-F980 HydrophobicContact CE1-CE1 3.79Å; F976-F980 HydrophobicContact CE1-CE2 4.28Å; F976-F980 AromaticContact CE1-CZ 3.77Å; F976-F980 HydrophobicContact CE1-CZ 3.77Å; F976-F980 AromaticContact CG-CD1 3.82Å; F976-F980 HydrophobicContact CG-CD1 3.82Å; F976-F980 AromaticContact CG-CE1 3.8Å; F976-F980 HydrophobicContact CG-CE1 3.8Å; F976-I981 HydrophobicContact CB-CD1 4.26Å; F976-I981 HydrophobicContact CB-CG1 4.05Å; F976-I981 WeakPolarHBondContact O-CD1 3.49Å | ||
| 977 | P | 88.3 | Confident | 84.7 | Confident | 64 Ų | 64 | 63 Ų | 63 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | trans | -55.3 | 142.5 | -178.6 | -27.8 | 35 | 0 | 0 | 0 | 112.7 | Q979 F980 I981 | P977-Q979 PolarHBondContact O-N 3.25Å; P977-F980 HydrophobicContact CB-CB 4.47Å; P977-F980 WeakPolarHBondContact O-CB 3.44Å; P977-F980 PolarHBondContact O-N 3.26Å; P977-I981 PolarHBondContact O-N 3.13Å; P977-I981 VanDerWaalsContact O-N 3.08Å | ||
| 978 | P | 83.6 | Confident | 82.7 | Confident | 111 Ų | 111 | 69.3 Ų | 69.3 | 72% | 0.721 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -55.7 | -24.6 | 176.5 | -28.4 | 35.7 | 0 | 0 | 0 | 114.3 | R982 | P978-R982 WeakPolarHBondContact O-CB 3.12Å; P978-R982 PolarHBondContact O-N 3.42Å |
| 979 | Q | 83.1 | Confident | 80.4 | Confident | 142 Ų | 142 | 69.4 Ų | 69.4 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.8 | -50.5 | 171.9 | -67.8 | 173.8 | -11.1 | 0 | 0 | 111.8 | P977 I981 R982 E983 | P977-Q979 PolarHBondContact O-N 3.25Å; Q979-I981 VanDerWaalsContact C-N 3.35Å; Q979-I981 PolarHBondContact O-N 3.08Å; Q979-R982 WeakPolarHBondContact O-CB 3.19Å; Q979-R982 PolarHBondContact O-N 2.94Å; Q979-R982 VanDerWaalsContact O-N 3.13Å; Q979-E983 WeakPolarHBondContact O-CG 3.37Å; Q979-E983 PolarHBondContact O-N 3Å |
| 980 | F | 85.8 | Confident | 77.6 | Confident | 57 Ų | 57 | 73.1 Ų | 73.1 | 25% | 0.25 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 175.8 | 174.8 | -87.9 | 0 | 0 | 0 | 111.6 | F670 F976 P977 R982 E983 K984 | F670-F980 HydrophobicContact CE1-CE1 4.33Å; F976-F980 HydrophobicContact CB-CD1 3.73Å; F976-F980 HydrophobicContact CB-CE1 4.19Å; F976-F980 HydrophobicContact CB-CG 4.5Å; F976-F980 AromaticContact CD1-CD1 3.47Å; F976-F980 HydrophobicContact CD1-CD1 3.47Å; F976-F980 VanDerWaalsContact CD1-CD1 3.47Å; F976-F980 HydrophobicContact CD1-CD2 4.32Å; F976-F980 AromaticContact CD1-CE1 3.38Å; F976-F980 HydrophobicContact CD1-CE1 3.38Å; F976-F980 HydrophobicContact CD1-CE2 4.24Å; F976-F980 AromaticContact CD1-CG 3.96Å; F976-F980 HydrophobicContact CD1-CG 3.96Å; F976-F980 AromaticContact CD1-CZ 3.78Å; F976-F980 HydrophobicContact CD1-CZ 3.78Å; F976-F980 HydrophobicContact CE1-CD1 4.31Å; F976-F980 AromaticContact CE1-CE1 3.79Å; F976-F980 HydrophobicContact CE1-CE1 3.79Å; F976-F980 HydrophobicContact CE1-CE2 4.28Å; F976-F980 AromaticContact CE1-CZ 3.77Å; F976-F980 HydrophobicContact CE1-CZ 3.77Å; F976-F980 AromaticContact CG-CD1 3.82Å; F976-F980 HydrophobicContact CG-CD1 3.82Å; F976-F980 AromaticContact CG-CE1 3.8Å; F976-F980 HydrophobicContact CG-CE1 3.8Å; P977-F980 HydrophobicContact CB-CB 4.47Å; P977-F980 WeakPolarHBondContact O-CB 3.44Å; P977-F980 PolarHBondContact O-N 3.26Å; F980-R982 VanDerWaalsContact C-N 3.3Å; F980-R982 PolarHBondContact O-N 3.17Å; F980-E983 PolarHBondContact O-N 2.95Å; F980-K984 HydrophobicContact CD2-CG 4.18Å; F980-K984 HydrophobicContact CE1-CG 4.35Å; F980-K984 HydrophobicContact CE2-CG 3.96Å; F980-K984 HydrophobicContact CG-CG 4.48Å; F980-K984 HydrophobicContact CZ-CG 4.06Å; F980-K984 WeakPolarHBondContact O-CB 3.48Å; F980-K984 PolarHBondContact O-N 3.04Å |
| 981 | I | 83 | Confident | 74.6 | Confident | 32 Ų | 32 | 78.6 Ų | 78.6 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 178.2 | -59.4 | 177.8 | 0 | 0 | 0 | 110.7 | R968 A971 F976 P977 Q979 F985 | R968-I981 HydrophobicContact CG-CG2 4.18Å; A971-I981 HydrophobicContact CB-CD1 4.08Å; A971-I981 HydrophobicContact CB-CG1 4.02Å; F976-I981 HydrophobicContact CB-CD1 4.26Å; F976-I981 HydrophobicContact CB-CG1 4.05Å; F976-I981 WeakPolarHBondContact O-CD1 3.49Å; P977-I981 PolarHBondContact O-N 3.13Å; P977-I981 VanDerWaalsContact O-N 3.08Å; Q979-I981 VanDerWaalsContact C-N 3.35Å; Q979-I981 PolarHBondContact O-N 3.08Å; I981-F985 HydrophobicContact CG2-CD2 4.18Å; I981-F985 WeakPolarHBondContact O-CB 3.47Å; I981-F985 WeakPolarHBondContact O-CD2 3.13Å; I981-F985 PolarHBondContact O-N 3.39Å |
| 982 | R | 80.7 | Confident | 71.5 | Confident | 179 Ų | 179 | 85.7 Ų | 85.7 | 68% | 0.675 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.5 | -54.9 | 175 | -179.6 | -177.7 | -66.7 | -158.7 | -2.4 | 111.5 | P978 Q979 F980 L986 | P978-R982 WeakPolarHBondContact O-CB 3.12Å; P978-R982 PolarHBondContact O-N 3.42Å; Q979-R982 WeakPolarHBondContact O-CB 3.19Å; Q979-R982 PolarHBondContact O-N 2.94Å; Q979-R982 VanDerWaalsContact O-N 3.13Å; F980-R982 VanDerWaalsContact C-N 3.3Å; F980-R982 PolarHBondContact O-N 3.17Å; R982-L986 HydrophobicContact CG-CD1 3.85Å; R982-L986 VanDerWaalsContact O-CB 3.28Å; R982-L986 WeakPolarHBondContact O-CB 3.44Å; R982-L986 VanDerWaalsContact O-N 3.13Å; R982-L986 PolarHBondContact O-N 3.17Å |
| 983 | E | 81.1 | Confident | 68.4 | Low | 129 Ų | 129 | 85.9 Ų | 85.9 | 60% | 0.603 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.9 | -57.4 | -176.7 | -72.6 | 168.4 | -165.9 | 0 | 0 | 111.7 | Q979 F980 F985 A987 | Q979-E983 WeakPolarHBondContact O-CG 3.37Å; Q979-E983 PolarHBondContact O-N 3Å; F980-E983 PolarHBondContact O-N 2.95Å; E983-F985 PolarHBondContact O-N 3.23Å; E983-F985 VanDerWaalsContact C-N 3.33Å; E983-A987 WeakPolarHBondContact O-CB 3.45Å; E983-A987 PolarHBondContact O-N 3.39Å |
| 984 | K | 80.6 | Confident | 65.5 | Low | 119 Ų | 119 | 95.3 Ų | 95.3 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -29.2 | -171.6 | -74.4 | -72.3 | -172.5 | 173.5 | 0 | 114.1 | I672 F980 | I672-K984 HydrophobicContact CD1-CB 3.53Å; I672-K984 HydrophobicContact CD1-CD 4.28Å; I672-K984 HydrophobicContact CD1-CG 4.14Å; F980-K984 HydrophobicContact CD2-CG 4.18Å; F980-K984 HydrophobicContact CE1-CG 4.35Å; F980-K984 HydrophobicContact CE2-CG 3.96Å; F980-K984 HydrophobicContact CG-CG 4.48Å; F980-K984 HydrophobicContact CZ-CG 4.06Å; F980-K984 WeakPolarHBondContact O-CB 3.48Å; F980-K984 PolarHBondContact O-N 3.04Å |
| 985 | F | 79.5 | Confident | 62.3 | Low | 4 Ų | 4 | 102 Ų | 102 | 2% | 0.018 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -108.7 | -0.3 | -175.7 | -64.3 | -90.6 | 0 | 0 | 0 | 115.5 | F670 I672 Q964 L967 R968 A971 I981 E983 | F670-F985 HydrophobicContact CZ-CZ 4.27Å; I672-F985 HydrophobicContact CD1-CD1 4.48Å; I672-F985 HydrophobicContact CD1-CD2 4.2Å; I672-F985 HydrophobicContact CD1-CE1 4.04Å; I672-F985 HydrophobicContact CD1-CE2 3.72Å; I672-F985 HydrophobicContact CD1-CZ 3.64Å; I672-F985 HydrophobicContact CG1-CE1 4.17Å; I672-F985 HydrophobicContact CG1-CE2 4.31Å; I672-F985 HydrophobicContact CG1-CZ 3.78Å; I672-F985 HydrophobicContact CG2-CD1 4.21Å; I672-F985 HydrophobicContact CG2-CE1 3.63Å; I672-F985 HydrophobicContact CG2-CZ 4.13Å; Q964-F985 HydrophobicContact CB-CD1 4.33Å; Q964-F985 HydrophobicContact CG-CD1 4.42Å; L967-F985 HydrophobicContact CB-CE1 3.61Å; L967-F985 HydrophobicContact CB-CZ 3.88Å; R968-F985 HydrophobicContact CG-CB 3.97Å; R968-F985 HydrophobicContact CG-CD1 3.7Å; R968-F985 HydrophobicContact CG-CD2 3.82Å; R968-F985 HydrophobicContact CG-CE1 4.02Å; R968-F985 HydrophobicContact CG-CE2 4.14Å; R968-F985 HydrophobicContact CG-CG 3.58Å; R968-F985 HydrophobicContact CG-CZ 4.22Å; R968-F985 VanDerWaalsContact NE-CB 3.28Å; R968-F985 PolarHBondContact NH2-O 3.4Å; A971-F985 HydrophobicContact CB-CE2 4.18Å; I981-F985 HydrophobicContact CG2-CD2 4.18Å; I981-F985 WeakPolarHBondContact O-CB 3.47Å; I981-F985 WeakPolarHBondContact O-CD2 3.13Å; I981-F985 PolarHBondContact O-N 3.39Å; E983-F985 PolarHBondContact O-N 3.23Å; E983-F985 VanDerWaalsContact C-N 3.33Å |
| 986 | L | 67.4 | Low | 59.2 | Low | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -112.3 | -25.6 | 173.7 | -68.1 | 162.6 | 0 | 0 | 0 | 113.7 | R982 N988 N989 | R982-L986 HydrophobicContact CG-CD1 3.85Å; R982-L986 VanDerWaalsContact O-CB 3.28Å; R982-L986 WeakPolarHBondContact O-CB 3.44Å; R982-L986 VanDerWaalsContact O-N 3.13Å; R982-L986 PolarHBondContact O-N 3.17Å; L986-N988 PolarHBondContact O-N 3.37Å; L986-N988 VanDerWaalsContact O-N 3.09Å; L986-N989 PolarHBondContact O-N 2.8Å; L986-N989 VanDerWaalsContact O-N 3.13Å |
| 987 | A | 54.1 | Low | 56.1 | Low | 65 Ų | 65 | 105.9 Ų | 105.9 | 54% | 0.537 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -54.6 | -31.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E983 N989 | E983-A987 WeakPolarHBondContact O-CB 3.45Å; E983-A987 PolarHBondContact O-N 3.39Å; A987-N989 VanDerWaalsContact C-N 3.26Å; A987-N989 PolarHBondContact O-N 3.41Å |
| 988 | N | 46.5 | Very low | 53.2 | Low | 132 Ų | 132 | 111.1 Ų | 111.1 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -78.1 | 1.4 | -177.1 | -68.2 | 2 | 0 | 0 | 0 | 114.8 | L986 | L986-N988 PolarHBondContact O-N 3.37Å; L986-N988 VanDerWaalsContact O-N 3.09Å |
| 989 | N | 40.8 | Very low | 50.5 | Low | 75 Ų | 75 | 112.7 Ų | 112.7 | 40% | 0.401 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -106.8 | -3.1 | -177.4 | -78.7 | -63.1 | 0 | 0 | 0 | 115.1 | L986 A987 | L986-N989 PolarHBondContact O-N 2.8Å; L986-N989 VanDerWaalsContact O-N 3.13Å; A987-N989 VanDerWaalsContact C-N 3.26Å; A987-N989 PolarHBondContact O-N 3.41Å |
| 990 | T | 31.2 | Very low | 47.8 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | trans | -109.7 | 65.3 | -176.6 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 991 | S | 29.2 | Very low | 44.9 | Very low | 114 Ų | 114 | 112.5 Ų | 112.5 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | trans | -152.6 | 78.6 | 170.1 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 992 | T | 27.6 | Very low | 42.2 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 91% | 0.914 | 70% | 0.7 | S | S | * | * | trans | -144.8 | 97.3 | 164.6 | 35.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 993 | G | 27.3 | Very low | 39.4 | Very low | 71 Ų | 71 | 118.9 Ų | 118.9 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | -168.6 | 72.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 994 | Y | 29.4 | Very low | 36.7 | Very low | 212 Ų | 212 | 123.1 Ų | 123.1 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | trans | 45.4 | 120.3 | 161 | -71 | -80.7 | 0 | 0 | 0 | 121.7 | ||||
| 995 | N | 26.2 | Very low | 34 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | 57 | 97.6 | 141.7 | -61.3 | -2 | 0 | 0 | 0 | 120 | ||||
| 996 | S | 27 | Very low | 31.4 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 92% | 0.923 | 76% | 0.764 | S | S | * | * | -178.5 | 152.2 | 103 | -78.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 997 | G | 26.3 | Very low | 29.4 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 113.8 | 104.2 | 164 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 998 | I | 26.9 | Very low | 28 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -85.9 | 111.4 | 169.4 | -63.2 | 163.5 | 0 | 0 | 0 | 109.3 | ||||
| 999 | V | 26.3 | Very low | 27 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -149.2 | 123.1 | 154.1 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1000 | G | 27.2 | Very low | 26.3 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 59.1 | 93.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1001 | S | 23.9 | Very low | 26 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | -66.5 | 132.8 | 156.3 | -50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1002 | K | 26.5 | Very low | 26 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -139.5 | 120.1 | 160.6 | -77.9 | -166.1 | 174.9 | -175.4 | 0 | 111 | ||||
| 1003 | N | 22.7 | Very low | 25.8 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -82.8 | 154.1 | 163.7 | -65.8 | -27.3 | 0 | 0 | 0 | 109.5 | ||||
| 1004 | Y | 23.8 | Very low | 25.9 | Very low | 218 Ų | 218 | 148 Ų | 148 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 54.6 | 119.4 | 169.1 | -55.3 | -74.4 | 0 | 0 | 0 | 117.7 | ||||
| 1005 | M | 24.2 | Very low | 25.7 | Very low | 171 Ų | 171 | 145 Ų | 145 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | -158.2 | 145 | 93.7 | -82.7 | -137 | 71.2 | 0 | 0 | 110.2 | |||||
| 1006 | C | 25.2 | Very low | 25.8 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 69% | 0.689 | 81% | 0.805 | S | S | * | * | trans | -73.9 | 136.8 | 159.8 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1007 | N | 25.4 | Very low | 25.7 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -154.9 | 130.4 | 157.2 | -130.3 | -10 | 0 | 0 | 0 | 111.5 | ||||
| 1008 | N | 25.7 | Very low | 25.7 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 128.4 | 174.5 | -70.4 | -23.4 | 0 | 0 | 0 | 109.9 | ||||
| 1009 | Q | 24.4 | Very low | 25.7 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -175.9 | 94.7 | 141.2 | -104.2 | 161.5 | 30.7 | 0 | 0 | 110.6 | ||||
| 1010 | H | 27 | Very low | 25.9 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -134 | 87.8 | 156.1 | -122.9 | -76.6 | 0 | 0 | 0 | 109.4 | M1012 | H1010-M1012 PolarHBondContact O-N 3.1Š| ||
| 1011 | T | 24.1 | Very low | 25.8 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -66.5 | 94.1 | 171.1 | 13.4 | 0 | 0 | 0 | 0 | 109.4 | I1013 | T1011-I1013 PolarHBondContact O-N 3.02Š| ||
| 1012 | M | 28.3 | Very low | 26 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -77.8 | 116.9 | 167.9 | -73.7 | -67.5 | -81.8 | 0 | 0 | 109.1 | H1010 V1014 | H1010-M1012 PolarHBondContact O-N 3.1Å; M1012-V1014 PolarHBondContact O-N 2.65Å; M1012-V1014 VanDerWaalsContact O-N 3.09Å | ||
| 1013 | I | 25.3 | Very low | 26.3 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -72.5 | 103.4 | 179.1 | -63.4 | 172.5 | 0 | 0 | 0 | 108.5 | T1011 N1015 | T1011-I1013 PolarHBondContact O-N 3.02Å; I1013-N1015 PolarHBondContact O-N 2.8Å; I1013-N1015 VanDerWaalsContact O-N 3.09Å | ||
| 1014 | V | 28.1 | Very low | 26.6 | Very low | 110 Ų | 110 | 156.4 Ų | 156.4 | 67% | 0.667 | 81% | 0.805 | S | S | * | * | trans | -73 | 99 | 172 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | M1012 N1016 | M1012-V1014 PolarHBondContact O-N 2.65Å; M1012-V1014 VanDerWaalsContact O-N 3.09Å; V1014-N1016 PolarHBondContact O-N 2.94Å; V1014-N1016 HydrophobicContact CG1-CB 4.45Å; V1014-N1016 WeakPolarHBondContact CG1-OD1 3.31Å | ||
| 1015 | N | 26 | Very low | 26.8 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -72.5 | 69.9 | 170.3 | -89.3 | -20.7 | 0 | 0 | 0 | 110.7 | I1013 R1017 | I1013-N1015 PolarHBondContact O-N 2.8Å; I1013-N1015 VanDerWaalsContact O-N 3.09Å; N1015-R1017 PolarHBondContact O-N 2.94Å; N1015-R1017 VanDerWaalsContact O-N 3.07Å | ||
| 1016 | N | 27.1 | Very low | 27.1 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -67.7 | 103.3 | 168.5 | -86.3 | -10.9 | 0 | 0 | 0 | 109.6 | V1014 | V1014-N1016 PolarHBondContact O-N 2.94Å; V1014-N1016 HydrophobicContact CG1-CB 4.45Å; V1014-N1016 WeakPolarHBondContact CG1-OD1 3.31Å | ||
| 1017 | R | 25 | Very low | 27.4 | Very low | 237 Ų | 237 | 153.7 Ų | 153.7 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -138.6 | 82.9 | 162.2 | -93.4 | -167.2 | 169.6 | -172.8 | -2.2 | 109.7 | N1015 | N1015-R1017 PolarHBondContact O-N 2.94Å; N1015-R1017 VanDerWaalsContact O-N 3.07Å | ||
| 1018 | L | 27.5 | Very low | 27.4 | Very low | 163 Ų | 163 | 153.9 Ų | 153.9 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -158.5 | 69.5 | 165.1 | -111.2 | 168.5 | 0 | 0 | 0 | 108.9 | P1020 | L1018-P1020 WeakPolarHBondContact O-CD 3.37Š| ||
| 1019 | D | 26.1 | Very low | 27.7 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -82.3 | 128.5 | 165.4 | -65.2 | -65 | 0 | 0 | 0 | 109.9 | ||||
| 1020 | P | 29.5 | Very low | 27.8 | Very low | 125 Ų | 125 | 151 Ų | 151 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -125.4 | 69.9 | 163.1 | 36.4 | -20.9 | 0 | 0 | 0 | 110.3 | L1018 | L1018-P1020 WeakPolarHBondContact O-CD 3.37Š| ||
| 1021 | A | 25.5 | Very low | 28 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -124.9 | 30.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1022 | N | 29.2 | Very low | 28.4 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -157.2 | 93.7 | 170.7 | -144.3 | -10.5 | 0 | 0 | 0 | 115.1 | ||||
| 1023 | T | 31.5 | Very low | 28.5 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -152.1 | 109.2 | 155.5 | -41.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1024 | R | 29.4 | Very low | 28.7 | Very low | 246 Ų | 246 | 144.6 Ų | 144.6 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -100.8 | 115.1 | 162.1 | -84.3 | -179.4 | 166.9 | 176.7 | -3.5 | 108.9 | ||||
| 1025 | G | 27.6 | Very low | 28.9 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | 63.5 | 150.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1026 | M | 31.7 | Very low | 29.1 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 93% | 0.931 | 80% | 0.804 | S | S | * | * | cis | -155.7 | 172.5 | 32.3 | -83.2 | -170.5 | 167.7 | 0 | 0 | 111.9 | ||||
| 1027 | H | 31.4 | Very low | 29.2 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -2.8 | 132.9 | 165.8 | -92.1 | -96 | 0 | 0 | 0 | 121 | ||||
| 1028 | L | 25.1 | Very low | 29.4 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -57.1 | 138.9 | 151.6 | -73.3 | 156.8 | 0 | 0 | 0 | 111.7 | ||||
| 1029 | N | 30.7 | Very low | 29.6 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -152.2 | 157.9 | 140.9 | -112.1 | -23.5 | 0 | 0 | 0 | 109.8 | ||||
| 1030 | S | 27.9 | Very low | 30 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -108 | 169.6 | -164.1 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1031 | I | 31.4 | Very low | 29.9 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 140.7 | 119.3 | 140.4 | -73.2 | 160.3 | 0 | 0 | 0 | 116 | ||||
| 1032 | S | 31.4 | Very low | 30.2 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | 50.6 | 113.2 | 147.1 | 81.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1033 | S | 31.2 | Very low | 30.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 67.3 | 125.7 | 113.6 | 78.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1034 | S | 30 | Very low | 30.2 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | 74.6 | 124.1 | 127.5 | -64 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1035 | G | 30.9 | Very low | 30.3 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 156.3 | 90 | 134.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1036 | R | 30.3 | Very low | 30.5 | Very low | 222 Ų | 222 | 135.8 Ų | 135.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 63.8 | 162.4 | 145.9 | -60.5 | -174.4 | 174.1 | -174.9 | 0.2 | 118.5 | ||||
| 1037 | R | 30 | Very low | 30.6 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -161.5 | 139.9 | -24.9 | -109.1 | -177.1 | 179.2 | -172.2 | -0.9 | 110.5 | ||||
| 1038 | I | 29 | Very low | 30.6 | Very low | 151 Ų | 151 | 139 Ų | 139 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | 38.2 | 125.9 | 132.8 | -52.1 | 168.6 | 0 | 0 | 0 | 120.4 | ||||
| 1039 | G | 30.9 | Very low | 30.9 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -171.6 | 146.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1040 | T | 34.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -141.6 | 137 | -166 | 53.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1041 | N | 27.9 | Very low | 31 | Very low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 30.7 | 135.4 | 146.9 | -52.8 | -10.1 | 0 | 0 | 0 | 122.5 | ||||
| 1042 | V | 32 | Very low | 30.7 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | 157.1 | 110 | 114.7 | 165.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 1043 | I | 28.8 | Very low | 31 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | 41.8 | 141.3 | 134.5 | -37.4 | 177.1 | 0 | 0 | 0 | 123.9 | ||||
| 1044 | T | 32.6 | Very low | 31.6 | Very low | 142 Ų | 142 | 139 Ų | 139 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | trans | 95.6 | 139.1 | 166.2 | 70.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1045 | G | 29.7 | Very low | 31.4 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | 161.8 | 162.1 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1046 | T | 33.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 144 Ų | 144 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | cis | -162.8 | 177.1 | -1.7 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1047 | K | 32.3 | Very low | 31 | Very low | 201 Ų | 201 | 139.3 Ų | 139.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 78.8 | 148.4 | 174.6 | -51.4 | 176.4 | -178.3 | 175.1 | 0 | 115.3 | ||||
| 1048 | R | 31.2 | Very low | 30.9 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | cis | -155.2 | 137.2 | 13.4 | -172.6 | -176.6 | -175.8 | 171 | 0.7 | 112.3 | ||||
| 1049 | A | 31.8 | Very low | 30.8 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | 60.2 | 152.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1050 | E | 30.1 | Very low | 30.6 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | cis | -152.9 | -170.1 | -8.5 | -126.1 | 154.4 | -139.4 | 0 | 0 | 112.5 | ||||
| 1051 | Q | 31.3 | Very low | 30.2 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -67.4 | 155.8 | -169.3 | -60.8 | 145.6 | 27.1 | 0 | 0 | 113.8 | ||||
| 1052 | S | 25.6 | Very low | 30.2 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | 73.7 | 145.7 | 36 | -61.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1053 | P | 37.9 | Very low | 30 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -134.6 | -128.7 | -29.6 | 47.3 | -27.5 | 0 | 0 | 0 | 111.3 | ||||
| 1054 | P | 41.8 | Very low | 30.1 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -133.6 | -158.8 | -156.4 | 32.5 | -3.7 | 0 | 0 | 0 | 117.3 | ||||
| 1055 | V | 26.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | 107.8 | 124 | 153.9 | -180 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1056 | Q | 27 | Very low | 30.1 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 35.5 | 123.3 | 149.8 | -67.5 | -179.4 | -2.4 | 0 | 0 | 126.4 | ||||
| 1057 | T | 26.5 | Very low | 29.9 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | 61.3 | 112.1 | 122.5 | -42 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1058 | R | 27.1 | Very low | 29.9 | Very low | 251 Ų | 251 | 148 Ų | 148 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | -167.2 | 167.8 | 123.1 | -113.9 | 179 | -179.3 | -175 | -0.1 | 114.7 | |||||
| 1059 | K | 27.3 | Very low | 29.7 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -94.3 | 151.2 | 179.2 | -68.2 | -178.7 | 173.7 | -175.6 | 0 | 112.8 | ||||
| 1060 | F | 26.2 | Very low | 29.7 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -173.9 | 136.8 | 139.1 | -89.8 | -65.7 | 0 | 0 | 0 | 104.9 | ||||
| 1061 | I | 27.9 | Very low | 29.6 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | cis | 64.9 | 118.8 | 35.2 | -56 | 177.8 | 0 | 0 | 0 | 111.8 | ||||
| 1062 | S | 27.7 | Very low | 29.5 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -161.3 | -156.6 | -12.7 | 51.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1063 | D | 28.1 | Very low | 29.7 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | cis | -162.1 | 175.3 | 5.1 | -132.7 | -47.8 | 0 | 0 | 0 | 110 | ||||
| 1064 | N | 30.1 | Very low | 29.4 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -164 | 114 | 152.5 | -139.2 | 67.4 | 0 | 0 | 0 | 113.9 | ||||
| 1065 | D | 31.9 | Very low | 28.8 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | 13.8 | 136.3 | 154.7 | -52.1 | -27.1 | 0 | 0 | 0 | 120.7 | ||||
| 1066 | N | 30.8 | Very low | 28.9 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | -153.7 | 164 | 52.2 | -110.1 | -62.3 | 0 | 0 | 0 | 116.3 | |||||
| 1067 | N | 28.9 | Very low | 29 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -73.4 | 170.7 | 167.7 | -69.9 | -74.4 | 0 | 0 | 0 | 110.8 | ||||
| 1068 | T | 32.8 | Very low | 29.2 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | cis | -157.4 | 166.6 | 44.7 | 47.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1069 | N | 26.7 | Very low | 29.3 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -73.8 | 154.6 | 170.7 | -54.4 | -43.1 | 0 | 0 | 0 | 112.7 | ||||
| 1070 | N | 31.3 | Very low | 29.3 | Very low | 129 Ų | 129 | 134 Ų | 134 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | 174.3 | 145.4 | 108.1 | -100.1 | 37.8 | 0 | 0 | 0 | 114.1 | |||||
| 1071 | D | 29.3 | Very low | 29.4 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 55.4 | 158 | 142.8 | -54.6 | -32.3 | 0 | 0 | 0 | 123.8 | ||||
| 1072 | S | 27.4 | Very low | 29.8 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -116.1 | 141.7 | -176.5 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1073 | S | 30.9 | Very low | 29.8 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 168.3 | 147.9 | 124.9 | 56.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1074 | S | 30.8 | Very low | 29.9 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | 60 | 105.4 | 143.6 | 63.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1075 | K | 28.9 | Very low | 29.8 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | 77.5 | 150.3 | 118.8 | -71.7 | -173.8 | 175.1 | -178.2 | 0 | 122.1 | |||||
| 1076 | T | 30.3 | Very low | 29.7 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | 66.1 | 137.6 | 170.8 | 59.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1077 | G | 28.6 | Very low | 29.6 | Very low | 65 Ų | 65 | 133 Ų | 133 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | cis | -177.9 | 166.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1078 | E | 30.7 | Very low | 29.7 | Very low | 212 Ų | 212 | 130.1 Ų | 130.1 | 99% | 0.991 | 79% | 0.785 | S | S | * | * | trans | 65.4 | 145.8 | 175.9 | -51.5 | -172.6 | 152 | 0 | 0 | 116.2 | ||||
| 1079 | G | 29.4 | Very low | 29.6 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -141 | 151.6 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1080 | V | 27 | Very low | 29.8 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -124.8 | 139.1 | -177.2 | 169.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1081 | R | 28.3 | Very low | 29.6 | Very low | 231 Ų | 231 | 131.6 Ų | 131.6 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -151.2 | 117.7 | 157.6 | -84.1 | -152 | 175.2 | -149 | -1.5 | 114.3 | ||||
| 1082 | P | 35.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -90.2 | -174.7 | 137.9 | 37.8 | -32.6 | 0 | 0 | 0 | 111.1 | ||||
| 1083 | G | 28.9 | Very low | 29.7 | Very low | 63 Ų | 63 | 132.2 Ų | 132.2 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 104.7 | 147 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1084 | D | 29.6 | Very low | 29.7 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | cis | -145.4 | 166.2 | 1.1 | -70.6 | -53.4 | 0 | 0 | 0 | 109.1 | ||||
| 1085 | C | 28.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | -171.6 | 127 | 79.7 | -84.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1086 | L | 30.2 | Very low | 29.4 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | 95.2 | 104.8 | 78.6 | -77.2 | 174.7 | 0 | 0 | 0 | 116.1 | |||||
| 1087 | V | 28.4 | Very low | 29.3 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | 63.3 | 121.5 | 138.8 | -176.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1088 | G | 30 | Very low | 29 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -179.6 | 86.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1089 | Q | 32 | Very low | 28.8 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 42.8 | 110.1 | 159.3 | -68.1 | -175.8 | -69.6 | 0 | 0 | 123.9 | ||||
| 1090 | Q | 29.1 | Very low | 28.6 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | 46.7 | 124.7 | 122.2 | -64.9 | 170.5 | -56 | 0 | 0 | 122.4 | |||||
| 1091 | G | 28.6 | Very low | 28.6 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -171.8 | 33.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1092 | N | 29 | Very low | 28.5 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 4.6 | 140 | 168.6 | -92.6 | 10.6 | 0 | 0 | 0 | 124 | ||||
| 1093 | V | 29.9 | Very low | 28.1 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | 77.1 | 132.7 | 136 | 166.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1094 | N | 29.4 | Very low | 28 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | cis | -146.8 | 175.8 | 4.9 | -132.7 | 4.4 | 0 | 0 | 0 | 115.9 | ||||
| 1095 | T | 29.1 | Very low | 27.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -65.3 | 154.6 | -171.8 | 46.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1096 | S | 24.8 | Very low | 27.8 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -79.5 | 168.7 | 162.3 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1097 | G | 28.3 | Very low | 27.4 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -179.8 | 114.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1098 | C | 23.3 | Very low | 27.2 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 86% | 0.858 | 81% | 0.808 | S | S | * | * | trans | -159.1 | 120.4 | 169.4 | -175 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1099 | L | 25.6 | Very low | 27 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -173.3 | 155.5 | 154 | -106.6 | 170.5 | 0 | 0 | 0 | 110.8 | ||||
| 1100 | H | 25 | Very low | 26.6 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | -28.4 | 146.3 | 177.8 | -85.4 | -98.7 | 0 | 0 | 0 | 119.4 | ||||
| 1101 | D | 26.3 | Very low | 26.3 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | -148.2 | 174.1 | 121.5 | -135.4 | -29.5 | 0 | 0 | 0 | 112.4 | |||||
| 1102 | T | 26.9 | Very low | 26.1 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 57% | 0.571 | 81% | 0.81 | S | S | * | * | trans | -137.6 | 158.3 | -164.9 | -36.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1103 | Y | 26 | Very low | 26.1 | Very low | 227 Ų | 227 | 130.9 Ų | 130.9 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | 84 | 139.8 | 173.9 | -65.7 | -83.8 | 0 | 0 | 0 | 118.3 | ||||
| 1104 | G | 27.6 | Very low | 25.8 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 159.4 | 77.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1105 | T | 26.1 | Very low | 25.6 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -83.3 | 132.8 | 177 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1106 | D | 27.5 | Very low | 25.3 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -160.2 | 159.3 | 143.5 | -109 | -30.1 | 0 | 0 | 0 | 110.5 | ||||
| 1107 | A | 23.2 | Very low | 25.3 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | -133 | 117.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1108 | S | 22.6 | Very low | 25.1 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -178.6 | 76 | 153.2 | 55.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1109 | S | 25.8 | Very low | 25.2 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -177.5 | 125.5 | 149.5 | 43 | 0 | 0 | 0 | 0 | 108 | ||||
| 1110 | L | 23.7 | Very low | 25.1 | Very low | 169 Ų | 169 | 135 Ų | 135 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | cis | 63.7 | 115.2 | 48.7 | -70.4 | 174.1 | 0 | 0 | 0 | 114.6 | ||||
| 1111 | V | 23.8 | Very low | 25.1 | Very low | 143 Ų | 143 | 134 Ų | 134 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | 69.9 | 80.4 | 172.7 | -163.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1112 | A | 24.5 | Very low | 25 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -111.7 | 139 | 145.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1113 | P | 27.9 | Very low | 24.9 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -78.4 | 160.5 | -172.9 | 31.3 | -35.7 | 0 | 0 | 0 | 113.7 | V1115 | P1113-V1115 PolarHBondContact O-N 3.2Š| ||
| 1114 | L | 24.1 | Very low | 24.8 | Very low | 176 Ų | 176 | 126.1 Ų | 126.1 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -68.6 | 84.9 | -179.5 | -77 | 162.7 | 0 | 0 | 0 | 113.1 | Y1116 | L1114-Y1116 VanDerWaalsContact C-N 3.28Å; L1114-Y1116 PolarHBondContact O-N 2.86Å | ||
| 1115 | V | 25.1 | Very low | 24.7 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -88.7 | 68.1 | 162.1 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | P1113 | P1113-V1115 PolarHBondContact O-N 3.2Š| ||
| 1116 | Y | 23.2 | Very low | 24.6 | Very low | 205 Ų | 205 | 126.7 Ų | 126.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -152.1 | 53.8 | 178.7 | -132.7 | -82 | 0 | 0 | 0 | 114.6 | L1114 | L1114-Y1116 VanDerWaalsContact C-N 3.28Å; L1114-Y1116 PolarHBondContact O-N 2.86Å | ||
| 1117 | L | 25.3 | Very low | 24.4 | Very low | 165 Ų | 165 | 124 Ų | 124 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -124.8 | 69.1 | 162.1 | -88.2 | 177.3 | 0 | 0 | 0 | 111.2 | S1119 | L1117-S1119 PolarHBondContact O-N 3.21Š| ||
| 1118 | A | 23.9 | Very low | 24.5 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | trans | -77.6 | 63.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1120 | A1118-S1120 WeakPolarHBondContact O-CB 3.42Å; A1118-S1120 PolarHBondContact O-OG 3.44Å; A1118-S1120 PolarHBondContact O-N 3.26Å; A1118-S1120 VanDerWaalsContact O-CB 3.22Å | ||
| 1119 | S | 25.3 | Very low | 24.5 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | trans | -75.1 | 94.3 | 159.8 | 51.7 | 0 | 0 | 0 | 0 | 107.6 | L1117 N1121 | L1117-S1119 PolarHBondContact O-N 3.21Å; S1119-N1121 PolarHBondContact O-N 3.01Å | ||
| 1120 | S | 24.1 | Very low | 24.5 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | 45.7 | 36 | 54.6 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | A1118 | A1118-S1120 WeakPolarHBondContact O-CB 3.42Å; A1118-S1120 PolarHBondContact O-OG 3.44Å; A1118-S1120 PolarHBondContact O-N 3.26Å; A1118-S1120 VanDerWaalsContact O-CB 3.22Å | |||
| 1121 | N | 23.3 | Very low | 24.4 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | -136.9 | 50.5 | 160.1 | -108 | -14.9 | 0 | 0 | 0 | 111.4 | S1119 S1123 | S1119-N1121 PolarHBondContact O-N 3.01Å; N1121-S1123 PolarHBondContact O-N 3.25Å | ||
| 1122 | T | 25.5 | Very low | 24.5 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | trans | -78.3 | 65.7 | 168.7 | 45.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1123 | S | 23.9 | Very low | 24.4 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | -86 | 119.1 | 161.7 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | N1121 M1125 | N1121-S1123 PolarHBondContact O-N 3.25Å; S1123-M1125 PolarHBondContact O-N 3.22Å; S1123-M1125 VanDerWaalsContact O-N 3.15Å | ||
| 1124 | A | 25.4 | Very low | 24.2 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -57.9 | 118.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1126 | A1124-S1126 PolarHBondContact O-N 2.63Š| ||
| 1125 | M | 24.5 | Very low | 24.3 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 83% | 0.828 | 73% | 0.727 | S | S | * | * | trans | -82.5 | 56.6 | 179.2 | -169.1 | 170.4 | 170.1 | 0 | 0 | 110.6 | S1123 I1127 | S1123-M1125 PolarHBondContact O-N 3.22Å; S1123-M1125 VanDerWaalsContact O-N 3.15Å; M1125-I1127 PolarHBondContact O-N 2.8Å | ||
| 1126 | S | 23.9 | Very low | 24.2 | Very low | 52 Ų | 52 | 122.5 Ų | 122.5 | 36% | 0.364 | 73% | 0.725 | S | S | . | * | trans | -60.3 | 120.9 | 170.5 | -54.8 | 0 | 0 | 0 | 0 | 109.1 | A1124 T1128 | A1124-S1126 PolarHBondContact O-N 2.63Å; S1126-T1128 PolarHBondContact O-N 2.99Å | ||
| 1127 | I | 23.9 | Very low | 24.5 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | trans | -78.1 | 60.9 | 174.9 | -51.1 | -176.1 | 0 | 0 | 0 | 109.6 | M1125 K1129 | M1125-I1127 PolarHBondContact O-N 2.8Å; I1127-K1129 VanDerWaalsContact O-N 3.09Å; I1127-K1129 PolarHBondContact O-N 2.8Å | ||
| 1128 | T | 24.4 | Very low | 24.6 | Very low | 90 Ų | 90 | 117.3 Ų | 117.3 | 55% | 0.552 | 73% | 0.726 | S | S | * | * | trans | -69.2 | 104.2 | 165.3 | 44.4 | 0 | 0 | 0 | 0 | 108.9 | S1126 A1130 | S1126-T1128 PolarHBondContact O-N 2.99Å; T1128-A1130 PolarHBondContact O-N 2.66Å | ||
| 1129 | K | 23.1 | Very low | 24.7 | Very low | 191 Ų | 191 | 119.8 Ų | 119.8 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | -60.2 | 79 | 154.7 | -79.5 | -177.7 | 175.5 | 174.1 | 0 | 109.4 | I1127 T1131 | I1127-K1129 VanDerWaalsContact O-N 3.09Å; I1127-K1129 PolarHBondContact O-N 2.8Å; K1129-T1131 PolarHBondContact O-N 3.06Å | ||
| 1130 | A | 25 | Very low | 24.8 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 58% | 0.579 | 75% | 0.749 | S | S | * | * | trans | -81.2 | 95.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | T1128 E1132 | T1128-A1130 PolarHBondContact O-N 2.66Å; A1130-E1132 PolarHBondContact O-N 2.94Å | ||
| 1131 | T | 22.8 | Very low | 24.9 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | trans | -75.3 | 70.4 | 164.6 | 50.8 | 0 | 0 | 0 | 0 | 109 | K1129 | K1129-T1131 PolarHBondContact O-N 3.06Š| ||
| 1132 | E | 24.8 | Very low | 25 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -107.8 | 123.9 | 170.3 | -71.1 | -169.7 | 164.7 | 0 | 0 | 109.6 | A1130 I1134 | A1130-E1132 PolarHBondContact O-N 2.94Å; E1132-I1134 PolarHBondContact O-N 2.91Å; E1132-I1134 VanDerWaalsContact O-N 3.11Å | ||
| 1133 | S | 23.4 | Very low | 25.1 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -76.8 | 93.8 | -179.4 | 37.4 | 0 | 0 | 0 | 0 | 110.6 | A1135 | S1133-A1135 VanDerWaalsContact C-N 3.31Å; S1133-A1135 PolarHBondContact O-N 2.83Å | ||
| 1134 | I | 24.5 | Very low | 25.3 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -68.1 | 90.2 | 172.7 | -57.8 | -180 | 0 | 0 | 0 | 109.5 | E1132 S1136 | E1132-I1134 PolarHBondContact O-N 2.91Å; E1132-I1134 VanDerWaalsContact O-N 3.11Å; I1134-S1136 PolarHBondContact O-N 2.93Å; I1134-S1136 VanDerWaalsContact O-N 3.07Å | ||
| 1135 | A | 25.6 | Very low | 25.3 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -72.5 | 90.9 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1133 T1137 | S1133-A1135 VanDerWaalsContact C-N 3.31Å; S1133-A1135 PolarHBondContact O-N 2.83Å; A1135-T1137 PolarHBondContact O-N 2.93Å | ||
| 1136 | S | 23.3 | Very low | 25.5 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -73.6 | 113.8 | 177.1 | 43 | 0 | 0 | 0 | 0 | 111.4 | I1134 | I1134-S1136 PolarHBondContact O-N 2.93Å; I1134-S1136 VanDerWaalsContact O-N 3.07Å | ||
| 1137 | T | 28.9 | Very low | 25.8 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -123.7 | 121.2 | 166.6 | 42.4 | 0 | 0 | 0 | 0 | 110.4 | A1135 | A1135-T1137 PolarHBondContact O-N 2.93Š| ||
| 1138 | S | 28.3 | Very low | 26 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -87.4 | 145 | -179.6 | 44.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1139 | T | 25.8 | Very low | 26.5 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -88.3 | 105.7 | 173.4 | 38.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1140 | L | 26.5 | Very low | 26.6 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | -172.1 | 128.5 | 138.4 | -124.6 | 81.1 | 0 | 0 | 0 | 110 | ||||
| 1141 | G | 27.2 | Very low | 26.9 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 173 | 129.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1142 | E | 23.9 | Very low | 27.1 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -83.8 | 139.7 | -171.2 | -59.9 | 178.6 | 116.9 | 0 | 0 | 113.3 | V1144 | E1142-V1144 PolarHBondContact O-N 3.01Š| ||
| 1143 | P | 28.2 | Very low | 27.2 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -90.3 | 100.5 | 173.4 | 33.6 | -31.5 | 0 | 0 | 0 | 112.1 | ||||
| 1144 | V | 27.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -80.7 | 135 | 168.8 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | E1142 | E1142-V1144 PolarHBondContact O-N 3.01Š| ||
| 1145 | V | 26.8 | Very low | 27.7 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | -102 | 127.6 | -168.6 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1146 | K | 27 | Very low | 27.6 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | -175.4 | 158.4 | 125.1 | -100.7 | 163.1 | -172.6 | 177.4 | 0 | 114.5 | |||||
| 1147 | P | 31.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | trans | -115.9 | 162.4 | -168.1 | 42.1 | -32.4 | 0 | 0 | 0 | 114.6 | ||||
| 1148 | N | 28.5 | Very low | 27.9 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | 174.6 | 163 | 111.6 | -100.8 | -2.3 | 0 | 0 | 0 | 112.1 | |||||
| 1149 | P | 34.5 | Very low | 28.2 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -103 | 168.4 | -164.6 | 40 | -35.9 | 0 | 0 | 0 | 114.1 | ||||
| 1150 | L | 25 | Very low | 28.4 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -178.8 | 121.9 | 135 | -102.6 | 166.8 | 0 | 0 | 0 | 110.6 | ||||
| 1151 | L | 31.2 | Very low | 28.6 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -158.3 | 135.4 | 150.6 | -115.6 | 169.3 | 0 | 0 | 0 | 108.8 | ||||
| 1152 | N | 27.4 | Very low | 28.7 | Very low | 127 Ų | 127 | 150 Ų | 150 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | trans | -91.7 | 138.3 | -166.7 | -60.5 | -41.5 | 0 | 0 | 0 | 111.8 | ||||
| 1153 | F | 27.3 | Very low | 28.9 | Very low | 209 Ų | 209 | 148.5 Ų | 148.5 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -102.7 | 114.4 | 154.2 | -103 | -83.4 | 0 | 0 | 0 | 109.6 | I1155 | F1153-I1155 PolarHBondContact O-N 3.16Š| ||
| 1154 | T | 26.8 | Very low | 29 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | -80 | 111.6 | -178.1 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1155 | I | 30.1 | Very low | 29.1 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -95.7 | 113.8 | 170 | -63.3 | 179.5 | 0 | 0 | 0 | 109.2 | F1153 K1157 | F1153-I1155 PolarHBondContact O-N 3.16Å; I1155-K1157 PolarHBondContact O-N 3.36Å | ||
| 1156 | T | 24.1 | Very low | 29.3 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -81.6 | 99.9 | 179 | 38 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1157 | K | 30 | Very low | 29.5 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -135.1 | 112.4 | 158.2 | -73.1 | -166.3 | 176.3 | -178 | 0 | 111 | I1155 | I1155-K1157 PolarHBondContact O-N 3.36Š| ||
| 1158 | T | 27.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 150.2 Ų | 150.2 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -74.5 | 146.2 | 168.9 | 42.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1159 | P | 34.9 | Very low | 29.6 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | -132.3 | 154.2 | 129.3 | 36.3 | -27.9 | 0 | 0 | 0 | 112.2 | |||||
| 1160 | N | 30.6 | Very low | 29.4 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -81.7 | 148.8 | -174.7 | -78.5 | -29.6 | 0 | 0 | 0 | 114.1 | ||||
| 1161 | S | 29.9 | Very low | 29.6 | Very low | 111 Ų | 111 | 149 Ų | 149 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 52.1 | 119 | 148.4 | 62.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1162 | R | 29.3 | Very low | 29.5 | Very low | 259 Ų | 259 | 147.9 Ų | 147.9 | 98% | 0.977 | 76% | 0.76 | S | S | * | * | trans | -133.7 | 148.7 | 137 | -111.4 | -178.4 | 178.5 | 179 | -0.5 | 110.1 | ||||
| 1163 | M | 28.8 | Very low | 29.7 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 77% | 0.768 | 76% | 0.761 | S | S | * | * | trans | -100.8 | 160.7 | -173.5 | -76.2 | 174.9 | 58.1 | 0 | 0 | 112.8 | ||||
| 1164 | M | 29.4 | Very low | 29.9 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | trans | 75.9 | 124.3 | 150.5 | -81.6 | 174.2 | 168.3 | 0 | 0 | 120.6 | ||||
| 1165 | N | 31 | Very low | 30 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | trans | 78 | 144.7 | 131.4 | -66.9 | 12.1 | 0 | 0 | 0 | 120.5 | ||||
| 1166 | Q | 31.2 | Very low | 29.9 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | cis | -169.2 | 133.5 | -28.7 | -124.7 | 174.1 | -20.1 | 0 | 0 | 108.9 | ||||
| 1167 | Q | 30.9 | Very low | 30 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | trans | 62.6 | 173.1 | 158.7 | -55.4 | 164.8 | -106.3 | 0 | 0 | 115.3 | ||||
| 1168 | E | 30.6 | Very low | 30 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | cis | -139.6 | 150.9 | 12 | -91.9 | -163.2 | 136.8 | 0 | 0 | 113.8 | ||||
| 1169 | I | 30.9 | Very low | 30.1 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | trans | 57.8 | 102.4 | 135.2 | -62.4 | 175.3 | 0 | 0 | 0 | 118.1 | ||||
| 1170 | S | 29.6 | Very low | 29.7 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | 84 | 151.9 | 89.6 | -63.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1171 | Q | 29.9 | Very low | 29.5 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | cis | -164.8 | -172.3 | -7.1 | -113.2 | 177 | 36.7 | 0 | 0 | 110 | ||||
| 1172 | L | 30.3 | Very low | 29.4 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | trans | 76.8 | 142.4 | 167.6 | -46.8 | 171.4 | 0 | 0 | 0 | 115.9 | ||||
| 1173 | T | 31.6 | Very low | 29.3 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | cis | -176.3 | 155.5 | -19.3 | 32.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1174 | T | 30 | Very low | 29.3 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | -173.3 | 152.1 | -28.5 | 30.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1175 | S | 28.9 | Very low | 29.3 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | 60.9 | 157.6 | 156.1 | 56.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1176 | S | 28.8 | Very low | 29.2 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -170.9 | 126.8 | -12.7 | 41 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1177 | S | 26.7 | Very low | 29 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | 71.3 | 156.4 | 71.9 | 78.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1178 | V | 29.5 | Very low | 29 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 100.9 | 101.9 | 166.6 | -172.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1179 | H | 28.9 | Very low | 28.9 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | 44.2 | 160.2 | 129 | -64.1 | -18.3 | 0 | 0 | 0 | 123.9 | |||||
| 1180 | K | 27.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 134 Ų | 134 | 68% | 0.683 | 76% | 0.757 | S | S | * | * | cis | -167.7 | 155 | -12.6 | -111.5 | 174.8 | 178.9 | 173.8 | 0 | 112.2 | ||||
| 1181 | T | 26.6 | Very low | 28.8 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | trans | 50.6 | 124.1 | 145.7 | 57.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1182 | V | 26.6 | Very low | 28.8 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 87% | 0.873 | 75% | 0.748 | S | S | * | * | 69.4 | 125.3 | 129.4 | -179.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1183 | G | 28.4 | Very low | 28.7 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -173.8 | 134.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1184 | I | 28.3 | Very low | 28.5 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | trans | -102.6 | 147.7 | -170.9 | -64.8 | 156.7 | 0 | 0 | 0 | 111.5 | ||||
| 1185 | G | 28.2 | Very low | 28.4 | Very low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | 160.5 | 93.6 | 156 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1186 | K | 29.7 | Very low | 28.2 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | -2 | 125.3 | 153.5 | -68.8 | 174.3 | 176.5 | 174.6 | 0 | 123.5 | ||||
| 1187 | R | 26.9 | Very low | 28.1 | Very low | 229 Ų | 229 | 144.5 Ų | 144.5 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | 71.1 | 160.2 | 107.1 | -144.3 | -174.9 | -139.4 | -155.5 | 6.1 | 122.2 | |||||
| 1188 | I | 30.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 150 Ų | 150 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 98 | 140.5 | 165.1 | -61.9 | 172.7 | 0 | 0 | 0 | 115.6 | ||||
| 1189 | T | 28.1 | Very low | 28.4 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | -170.4 | -179.3 | -55.6 | 21.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 1190 | E | 30.2 | Very low | 28.2 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | trans | 86 | 145.7 | 167.1 | -50.5 | -152.5 | 141.5 | 0 | 0 | 117.3 | ||||
| 1191 | K | 29.5 | Very low | 28 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | cis | -158.6 | 175.9 | -5.8 | -113.4 | 162.9 | -171.1 | 148.8 | 0 | 107.3 | ||||
| 1192 | K | 30.4 | Very low | 28.1 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | cis | -114.5 | -160.1 | 3.2 | -107.3 | -169.2 | 152.5 | -69.1 | 0 | 109.2 | E1194 | K1192-E1194 PolarHBondContact NZ-OE2 2.99Å; K1192-E1194 IonicContact NZ-OE2 3.12Å; K1192-E1194 PolarHBondContact NZ-OE1 2.87Å; K1192-E1194 WeakPolarHBondContact CE-OE2 3.4Å; K1192-E1194 WeakPolarHBondContact CD-OE2 3.32Å; K1192-E1194 IonicContact NZ-OE1 2.73Å | ||
| 1193 | E | 27.4 | Very low | 28.1 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 66% | 0.659 | 74% | 0.743 | S | S | * | * | cis | 72.9 | 151.2 | 20.6 | -38.3 | 179.1 | 108.8 | 0 | 0 | 115 | ||||
| 1194 | E | 26.7 | Very low | 28.1 | Very low | 132 Ų | 132 | 153.6 Ų | 153.6 | 62% | 0.617 | 74% | 0.738 | S | S | * | * | cis | -131.6 | -158.3 | 3.1 | -100.8 | 99.3 | 163.2 | 0 | 0 | 111 | K1192 | K1192-E1194 PolarHBondContact NZ-OE2 2.99Å; K1192-E1194 IonicContact NZ-OE2 3.12Å; K1192-E1194 PolarHBondContact NZ-OE1 2.87Å; K1192-E1194 WeakPolarHBondContact CE-OE2 3.4Å; K1192-E1194 WeakPolarHBondContact CD-OE2 3.32Å; K1192-E1194 IonicContact NZ-OE1 2.73Å | ||
| 1195 | K | 28.3 | Very low | 28.2 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | -174.6 | 111.4 | -79.5 | -174.4 | -176 | -176.7 | -175 | 0 | 114.2 | |||||
| 1196 | Q | 25.2 | Very low | 28.4 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | 71.8 | 154.4 | 156.3 | -72.1 | -178.9 | -45 | 0 | 0 | 123.5 | ||||
| 1197 | H | 26.2 | Very low | 28.4 | Very low | 176 Ų | 176 | 151.9 Ų | 151.9 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | trans | 96.2 | 137.5 | 154.6 | -95 | 81.8 | 0 | 0 | 0 | 122.9 | ||||
| 1198 | W | 27.9 | Very low | 28.6 | Very low | 221 Ų | 221 | 149 Ų | 149 | 84% | 0.837 | 72% | 0.719 | S | S | * | * | trans | -97.6 | 166.5 | 169.1 | -72.6 | 61.7 | 0 | 0 | 0 | 109.9 | ||||
| 1199 | P | 34.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | -148.3 | -166.4 | 89.7 | 39.6 | -20 | 0 | 0 | 0 | 115.1 | |||||
| 1200 | Q | 24.3 | Very low | 28.6 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -99 | 172.6 | -172.2 | -59.1 | 159.1 | -96.7 | 0 | 0 | 114.2 | ||||
| 1201 | Q | 24 | Very low | 28.4 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | 124.1 | 152.4 | 120 | -148.1 | 173.4 | -14.7 | 0 | 0 | 117.2 | |||||
| 1202 | H | 28.3 | Very low | 28.3 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 61% | 0.611 | 73% | 0.734 | S | S | * | * | trans | 71.7 | 141.4 | 176.6 | -64.2 | -93.6 | 0 | 0 | 0 | 116.9 | ||||
| 1203 | E | 27.8 | Very low | 28.5 | Very low | 141 Ų | 141 | 152 Ų | 152 | 66% | 0.659 | 74% | 0.744 | S | S | * | * | cis | -162.8 | 157.5 | -18.8 | -122.4 | 167.5 | -172.1 | 0 | 0 | 110.8 | ||||
| 1204 | D | 28.2 | Very low | 28.4 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | trans | 68 | 152.4 | 142.8 | -59.7 | -18.9 | 0 | 0 | 0 | 127.2 | ||||
| 1205 | D | 30.7 | Very low | 28.4 | Very low | 136 Ų | 136 | 152.9 Ų | 152.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 74.9 | 105.6 | 156.1 | -57.6 | -13 | 0 | 0 | 0 | 124.9 | ||||
| 1206 | D | 31.1 | Very low | 28.6 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | 97.7 | 145.2 | 118.6 | -67.7 | -11.5 | 0 | 0 | 0 | 126.7 | |||||
| 1207 | D | 30.9 | Very low | 28.8 | Very low | 138 Ų | 138 | 156.2 Ų | 156.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 72.3 | 96.3 | 157.5 | -62.8 | -11.5 | 0 | 0 | 0 | 124.9 | ||||
| 1208 | E | 29.4 | Very low | 29.1 | Very low | 169 Ų | 169 | 155.7 Ų | 155.7 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | 57.6 | 142.4 | 117.6 | -63.8 | -159.6 | 144.1 | 0 | 0 | 125.6 | |||||
| 1209 | E | 29.4 | Very low | 29.1 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 60.1 | 153.6 | 158.8 | -67.4 | -171.4 | 154.5 | 0 | 0 | 120.1 | ||||
| 1210 | E | 30 | Very low | 29 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | cis | -139 | -176.1 | 2.1 | -144.5 | -157.7 | 145.5 | 0 | 0 | 111.9 | ||||
| 1211 | Q | 26.1 | Very low | 29.3 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | trans | -84.5 | 154.2 | -173.5 | -56.2 | 171.1 | 11.4 | 0 | 0 | 113.6 | ||||
| 1212 | T | 28.2 | Very low | 29.5 | Very low | 133 Ų | 133 | 150.4 Ų | 150.4 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | 169.8 | 165.6 | 121.1 | 37 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1213 | V | 32.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | trans | 73.3 | 37.8 | 168.6 | -149.5 | 0 | 0 | 0 | 0 | 117.7 | E1215 | V1213-E1215 PolarHBondContact O-N 3.26Š| ||
| 1214 | D | 26 | Very low | 29.4 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 78.8 | 160.5 | -176.2 | 36.1 | 0 | 0 | 0 | 112.3 | K1218 | D1214-K1218 IonicContact OD2-NZ 2.72Å; D1214-K1218 PolarHBondContact OD2-NZ 2.94Å |
| 1215 | E | 27.5 | Very low | 29.5 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | -20.5 | 170 | -141.6 | 172.9 | -143.1 | 0 | 0 | 115.3 | V1213 | V1213-E1215 PolarHBondContact O-N 3.26Š|
| 1216 | K | 31.7 | Very low | 29.3 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 2.4 | -177.7 | -78.7 | -177 | 175.5 | 174.6 | 0 | 116 | ||
| 1217 | R | 30.5 | Very low | 29.1 | Very low | 215 Ų | 215 | 146.6 Ų | 146.6 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -6.2 | -173.6 | -119.9 | 176.3 | -175.8 | 171.8 | 1.6 | 116.5 | ||
| 1218 | K | 31.1 | Very low | 28.9 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -90.4 | -6.2 | -178.8 | -72.5 | 168.6 | -176.6 | 147.2 | 0 | 114.9 | D1214 | D1214-K1218 IonicContact OD2-NZ 2.72Å; D1214-K1218 PolarHBondContact OD2-NZ 2.94Å |
| 1219 | L | 28.3 | Very low | 28.8 | Very low | 159 Ų | 159 | 147 Ų | 147 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -94 | 3.8 | -176.4 | -100.9 | 162.9 | 0 | 0 | 0 | 115.8 | ||
| 1220 | I | 33.2 | Very low | 28.7 | Very low | 117 Ų | 117 | 146 Ų | 146 | 60% | 0.6 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -104.8 | -12.9 | -172.6 | -67.1 | 174.7 | 0 | 0 | 0 | 113.4 | S1223 | I1220-S1223 PolarHBondContact O-OG 3.09Š|
| 1221 | N | 29.9 | Very low | 28.7 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -92.7 | 0.6 | -175.4 | -83.3 | -10.6 | 0 | 0 | 0 | 115.8 | ||
| 1222 | L | 28 | Very low | 28.7 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -90.3 | -19.4 | 178.6 | -98.6 | 161.5 | 0 | 0 | 0 | 114.4 | K1224 | L1222-K1224 VanDerWaalsContact C-N 3.29Å; L1222-K1224 PolarHBondContact O-N 2.83Å |
| 1223 | S | 26.1 | Very low | 28.5 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -5.8 | 177.8 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | I1220 | I1220-S1223 PolarHBondContact O-OG 3.09Š|
| 1224 | K | 29.3 | Very low | 28.3 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 4.5 | -172.7 | -134.1 | 175.6 | -174.3 | 179.6 | 0 | 115 | L1222 | L1222-K1224 VanDerWaalsContact C-N 3.29Å; L1222-K1224 PolarHBondContact O-N 2.83Å |
| 1225 | A | 29.7 | Very low | 28.5 | Very low | 79 Ų | 79 | 144.1 Ų | 144.1 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -105.5 | -11.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1226 | L | 26.2 | Very low | 28.5 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -99.8 | 8.1 | -173.3 | -87.6 | 160.8 | 0 | 0 | 0 | 114.7 | ||
| 1227 | S | 27.9 | Very low | 28.4 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -94.5 | -1.2 | -177.6 | 58.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1228 | N | 26.6 | Very low | 28.4 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -111.8 | 21.2 | -166.2 | -72 | 12 | 0 | 0 | 0 | 114.7 | ||||
| 1229 | L | 26.1 | Very low | 28.4 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -121.2 | 89.7 | 173.4 | -81.3 | 169 | 0 | 0 | 0 | 110.9 | ||||
| 1230 | K | 28.5 | Very low | 28.6 | Very low | 155 Ų | 155 | 139 Ų | 139 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | trans | -110.8 | 121.5 | 173.9 | -164.1 | 175.5 | 176 | -93.9 | 0 | 108.3 | D1232 | K1230-D1232 PolarHBondContact NZ-OD1 3.47Å; K1230-D1232 VanDerWaalsContact O-N 3.14Å; K1230-D1232 PolarHBondContact O-N 2.85Å; K1230-D1232 PolarHBondContact NZ-OD2 3.09Å; K1230-D1232 IonicContact NZ-OD2 2.83Å; K1230-D1232 IonicContact NZ-OD1 3.31Å | ||
| 1231 | P | 28.3 | Very low | 28.5 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -85.8 | 80.7 | -179.9 | 33.5 | -33.1 | 0 | 0 | 0 | 110.2 | M1233 | P1231-M1233 PolarHBondContact O-N 3.09Å; P1231-M1233 VanDerWaalsContact O-N 3.08Å | ||
| 1232 | D | 27.2 | Very low | 28.5 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | trans | -75.7 | 96.7 | 175.6 | -75.3 | -30.8 | 0 | 0 | 0 | 110.4 | K1230 S1234 | K1230-D1232 PolarHBondContact NZ-OD1 3.47Å; K1230-D1232 VanDerWaalsContact O-N 3.14Å; K1230-D1232 PolarHBondContact O-N 2.85Å; K1230-D1232 PolarHBondContact NZ-OD2 3.09Å; K1230-D1232 IonicContact NZ-OD2 2.83Å; K1230-D1232 IonicContact NZ-OD1 3.31Å; D1232-S1234 PolarHBondContact O-N 2.85Å | ||
| 1233 | M | 24.1 | Very low | 28.7 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 97% | 0.966 | 77% | 0.767 | S | S | * | * | trans | -76.4 | 96.2 | 163.9 | -88 | -166.6 | 67.8 | 0 | 0 | 110 | P1231 | P1231-M1233 PolarHBondContact O-N 3.09Å; P1231-M1233 VanDerWaalsContact O-N 3.08Å | ||
| 1234 | S | 28.4 | Very low | 28.8 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -135.8 | 127.6 | 160.5 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | D1232 N1236 | D1232-S1234 PolarHBondContact O-N 2.85Å; S1234-N1236 PolarHBondContact O-N 3.07Å | ||
| 1235 | T | 29.3 | Very low | 28.9 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -39.2 | 126.3 | 177.8 | 43.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1236 | N | 27.6 | Very low | 28.9 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | -76 | 121.8 | 160.8 | -81.1 | -35.5 | 0 | 0 | 0 | 109.1 | S1234 Y1238 | S1234-N1236 PolarHBondContact O-N 3.07Å; N1236-Y1238 HydrophobicContact CB-CD2 4.32Å | ||
| 1237 | D | 29.2 | Very low | 29.2 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -104.8 | 121.6 | 150.9 | -102.8 | -41.5 | 0 | 0 | 0 | 108.6 | ||||
| 1238 | Y | 30.9 | Very low | 29.2 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -92.3 | 103.4 | -179.2 | -103.4 | -91 | 0 | 0 | 0 | 110.4 | N1236 | N1236-Y1238 HydrophobicContact CB-CD2 4.32Š| ||
| 1239 | L | 31.2 | Very low | 29.4 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -147.7 | 102.5 | 165.1 | -112.8 | 163.4 | 0 | 0 | 0 | 113.3 | ||||
| 1240 | S | 33.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 50.9 | 116.3 | 149.4 | -167.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1241 | G | 30.9 | Very low | 29.6 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 91.9 | 111.8 | 124.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1242 | N | 30.6 | Very low | 29.8 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -77 | 139.4 | 166 | -94.4 | -62.7 | 0 | 0 | 0 | 112 | ||||
| 1243 | K | 31.9 | Very low | 29.9 | Very low | 165 Ų | 165 | 144 Ų | 144 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | 45 | 148.6 | 123.9 | -57.5 | 173.5 | -178.2 | 173.2 | 0 | 120.3 | |||||
| 1244 | Q | 28.6 | Very low | 30.2 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | cis | -168 | -174.6 | -6.8 | -112.6 | 172.6 | -67.9 | 0 | 0 | 108.5 | ||||
| 1245 | A | 31.4 | Very low | 30.3 | Very low | 87 Ų | 87 | 142 Ų | 142 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | trans | 79.2 | 110.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1246 | E | 28.8 | Very low | 30.3 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | 89.6 | 93.4 | 62 | -79.9 | -175.5 | 158.1 | 0 | 0 | 114.2 | |||||
| 1247 | H | 32.1 | Very low | 30.2 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | 174.4 | 123.9 | 111 | -104.2 | -75 | 0 | 0 | 0 | 115.2 | |||||
| 1248 | N | 29.4 | Very low | 30.1 | Very low | 117 Ų | 117 | 141 Ų | 141 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | 46.6 | 153 | 138.9 | -61.5 | -5 | 0 | 0 | 0 | 125.6 | ||||
| 1249 | Y | 30.1 | Very low | 30 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | 77.8 | 145.7 | 164.9 | -62.4 | -85.9 | 0 | 0 | 0 | 118.3 | ||||
| 1250 | L | 30.3 | Very low | 30 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | cis | 177 | 138 | -42.7 | -117.4 | 163.3 | 0 | 0 | 0 | 107.9 | ||||
| 1251 | S | 29.1 | Very low | 30.1 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | 62.9 | 156.3 | 157.8 | -77.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1252 | S | 31.3 | Very low | 30.2 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | cis | -165.7 | 155.9 | -14.3 | -99 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1253 | E | 29.9 | Very low | 30.4 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | 64.6 | 153.3 | 146.1 | -75.4 | 173.5 | -165 | 0 | 0 | 120.4 | ||||
| 1254 | S | 29.5 | Very low | 30.4 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 54% | 0.538 | 73% | 0.733 | S | S | . | * | cis | -167.4 | 169.8 | -10.7 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1255 | K | 30.6 | Very low | 30.4 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | 68.5 | 157.9 | 158 | -64.8 | 165.3 | -177.2 | 166.4 | 0 | 117.7 | ||||
| 1256 | Q | 29.1 | Very low | 30.6 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | cis | -158.7 | 150.1 | -23.5 | -115.2 | 171.2 | -56.4 | 0 | 0 | 110.6 | ||||
| 1257 | L | 26 | Very low | 30.8 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 13.7 | 130.1 | 148.1 | -71.2 | 160 | 0 | 0 | 0 | 120.9 | ||||
| 1258 | N | 28.2 | Very low | 30.8 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | -179.8 | 161.7 | 100.2 | -98.2 | -29 | 0 | 0 | 0 | 115.8 | |||||
| 1259 | Y | 29.3 | Very low | 30.8 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 5.2 | 144 | 160.6 | -55.7 | -72.6 | 0 | 0 | 0 | 120.2 | ||||
| 1260 | S | 30.2 | Very low | 30.9 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | 179.2 | 170.8 | -0.9 | 47.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1261 | S | 35 | Very low | 30.9 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | cis | -170.5 | 171.2 | -2 | 32.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1262 | G | 33.4 | Very low | 31 | Very low | 63 Ų | 63 | 136.8 Ų | 136.8 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | cis | 172.7 | -162.3 | 6.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1263 | N | 34.4 | Very low | 31 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | 66 | 123.2 | -177 | -62.8 | 8.9 | 0 | 0 | 0 | 114.6 | ||||
| 1264 | I | 32.7 | Very low | 31.1 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | cis | 69.1 | 83.8 | 26.9 | -45.5 | 178.3 | 0 | 0 | 0 | 109.9 | ||||
| 1265 | S | 28.5 | Very low | 31.2 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | 81.1 | 139 | 77.9 | 80.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1266 | D | 35.7 | Very low | 31.3 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | 179.9 | 157.7 | 120.5 | -87.3 | 1.9 | 0 | 0 | 0 | 110.7 | |||||
| 1267 | V | 32.8 | Very low | 31.5 | Very low | 224 Ų | 224 | 137.7 Ų | 137.7 | 100% | 1.358 | 80% | 0.796 | S | S | * | * | trans | 72 | 0 | -168.8 | -166.9 | 0 | 0 | 0 | 0 | 114.2 |
Retrieved 1,267 of 1,267 residues in 450.1 ms
(Link to these results)