| 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 | 52.5 | Low | 68.9 | Low | 189 Ų | 189 | 122.1 Ų | 122.1 | 93% | 0.931 | 61% | 0.611 | S | S | * | * | 0 | -72 | 0 | -76.2 | -54.2 | 174.6 | 0 | 0 | 113.3 | V3 F4 I5 | M1-V3 PolarHBondContact O-N 3.48Å; M1-F4 WeakPolarHBondContact O-CA 3.5Å; M1-F4 VanDerWaalsContact O-CB 3.29Å; M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.38Å; M1-I5 PolarHBondContact O-N 2.87Å | |||
| 2 | I | 60 | Low | 69.1 | Low | 139 Ų | 139 | 119.6 Ų | 119.6 | 71% | 0.713 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -49.6 | -49.3 | -172.8 | -61.4 | 172.7 | 0 | 0 | 0 | 113.3 | F4 I5 W6 | I2-F4 VanDerWaalsContact C-N 3.28Å; I2-F4 PolarHBondContact O-N 3.34Å; I2-I5 WeakPolarHBondContact O-CB 3.29Å; I2-I5 PolarHBondContact O-N 3.3Å; I2-I5 VanDerWaalsContact O-N 3.14Å; I2-W6 PolarHBondContact O-N 3.48Å |
| 3 | V | 62.4 | Low | 69.8 | Low | 107 Ų | 107 | 118.3 Ų | 118.3 | 65% | 0.648 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -58.2 | -37.8 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 112.6 | M1 W6 I7 | M1-V3 PolarHBondContact O-N 3.48Å; V3-W6 PolarHBondContact O-N 3.14Å; V3-I7 HydrophobicContact CG1-CD1 3.91Å; V3-I7 HydrophobicContact CG1-CG1 4.48Å; V3-I7 VanDerWaalsContact O-CG1 3.28Å; V3-I7 WeakPolarHBondContact O-CG1 3.39Å; V3-I7 PolarHBondContact O-N 3.25Å |
| 4 | F | 66.9 | Low | 70.3 | Confident | 159 Ų | 159 | 118.2 Ų | 118.2 | 70% | 0.697 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.4 | -36.7 | 178.5 | -148.7 | -83.5 | 0 | 0 | 0 | 111.6 | M1 I2 A8 | M1-F4 WeakPolarHBondContact O-CA 3.5Å; M1-F4 VanDerWaalsContact O-CB 3.29Å; M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.38Å; I2-F4 VanDerWaalsContact C-N 3.28Å; I2-F4 PolarHBondContact O-N 3.34Å; F4-A8 VanDerWaalsContact O-CB 3.31Å; F4-A8 WeakPolarHBondContact O-CB 3.39Å; F4-A8 PolarHBondContact O-N 3.23Å |
| 5 | I | 72.6 | Confident | 70.6 | Confident | 96 Ų | 96 | 112.5 Ų | 112.5 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -39.8 | 172.4 | -64.3 | 165.7 | 0 | 0 | 0 | 110.3 | M1 I2 A8 L9 | M1-I5 PolarHBondContact O-N 2.87Å; I2-I5 WeakPolarHBondContact O-CB 3.29Å; I2-I5 PolarHBondContact O-N 3.3Å; I2-I5 VanDerWaalsContact O-N 3.14Å; I5-A8 PolarHBondContact O-N 3.32Å; I5-L9 HydrophobicContact CG2-CD1 4.02Å; I5-L9 WeakPolarHBondContact O-CB 3.2Å; I5-L9 WeakPolarHBondContact O-CG 3.35Å; I5-L9 PolarHBondContact O-N 3.19Å |
| 6 | W | 74.9 | Confident | 71 | Confident | 198 Ų | 198 | 114.1 Ų | 114.1 | 75% | 0.75 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.4 | -42.2 | 175.6 | -118.3 | 61.2 | 0 | 0 | 0 | 112.7 | I2 V3 L9 S10 | I2-W6 PolarHBondContact O-N 3.48Å; V3-W6 PolarHBondContact O-N 3.14Å; W6-L9 PolarHBondContact O-N 3.14Å; W6-S10 VanDerWaalsContact O-CB 3.29Å; W6-S10 WeakPolarHBondContact O-CB 3.31Å; W6-S10 PolarHBondContact O-N 3.3Å |
| 7 | I | 74.7 | Confident | 71.3 | Confident | 87 Ų | 87 | 111.6 Ų | 111.6 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.2 | -46.8 | 173.6 | -70.7 | 166.7 | 0 | 0 | 0 | 110.2 | V3 L9 S10 F11 | V3-I7 HydrophobicContact CG1-CD1 3.91Å; V3-I7 HydrophobicContact CG1-CG1 4.48Å; V3-I7 VanDerWaalsContact O-CG1 3.28Å; V3-I7 WeakPolarHBondContact O-CG1 3.39Å; V3-I7 PolarHBondContact O-N 3.25Å; I7-L9 PolarHBondContact O-N 3Å; I7-S10 PolarHBondContact O-N 3.09Å; I7-F11 HydrophobicContact CG2-CD2 3.79Å; I7-F11 HydrophobicContact CG2-CE2 3.96Å; I7-F11 WeakPolarHBondContact O-CD2 3.28Å; I7-F11 PolarHBondContact O-N 3.04Å |
| 8 | A | 70 | Confident | 71.5 | Confident | 49 Ų | 49 | 112.5 Ų | 112.5 | 41% | 0.405 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.9 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F4 I5 S10 F11 T12 | F4-A8 VanDerWaalsContact O-CB 3.31Å; F4-A8 WeakPolarHBondContact O-CB 3.39Å; F4-A8 PolarHBondContact O-N 3.23Å; I5-A8 PolarHBondContact O-N 3.32Å; A8-S10 PolarHBondContact O-N 2.88Å; A8-F11 PolarHBondContact O-N 3.01Å; A8-T12 WeakPolarHBondContact O-CG2 3.32Å; A8-T12 PolarHBondContact O-N 2.85Å; A8-T12 PolarHBondContact O-OG1 2.97Å |
| 9 | L | 75.1 | Confident | 71.4 | Confident | 103 Ų | 103 | 107.4 Ų | 107.4 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 174.3 | -82 | 167 | 0 | 0 | 0 | 111.5 | I5 W6 I7 F11 T12 L13 | I5-L9 HydrophobicContact CG2-CD1 4.02Å; I5-L9 WeakPolarHBondContact O-CB 3.2Å; I5-L9 WeakPolarHBondContact O-CG 3.35Å; I5-L9 PolarHBondContact O-N 3.19Å; W6-L9 PolarHBondContact O-N 3.14Å; I7-L9 PolarHBondContact O-N 3Å; L9-F11 PolarHBondContact O-N 3.15Å; L9-T12 WeakPolarHBondContact CA-OG1 3.29Å; L9-T12 PolarHBondContact O-N 3.04Å; L9-T12 PolarHBondContact O-OG1 3Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 PolarHBondContact O-N 3.31Å |
| 10 | S | 72.7 | Confident | 71.5 | Confident | 59 Ų | 59 | 104.7 Ų | 104.7 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.7 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | W6 I7 A8 L13 M14 | W6-S10 VanDerWaalsContact O-CB 3.29Å; W6-S10 WeakPolarHBondContact O-CB 3.31Å; W6-S10 PolarHBondContact O-N 3.3Å; I7-S10 PolarHBondContact O-N 3.09Å; A8-S10 PolarHBondContact O-N 2.88Å; S10-L13 PolarHBondContact O-N 2.91Å; S10-M14 WeakPolarHBondContact O-CB 3.41Å; S10-M14 WeakPolarHBondContact O-CG 3.33Å; S10-M14 PolarHBondContact O-N 3.32Å |
| 11 | F | 75.9 | Confident | 71.5 | Confident | 157 Ų | 157 | 104 Ų | 104 | 69% | 0.689 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 173.9 | -90.6 | -78 | 0 | 0 | 0 | 112.6 | I7 A8 L9 G15 | I7-F11 HydrophobicContact CG2-CD2 3.79Å; I7-F11 HydrophobicContact CG2-CE2 3.96Å; I7-F11 WeakPolarHBondContact O-CD2 3.28Å; I7-F11 PolarHBondContact O-N 3.04Å; A8-F11 PolarHBondContact O-N 3.01Å; L9-F11 PolarHBondContact O-N 3.15Å; F11-G15 PolarHBondContact O-N 3.01Å |
| 12 | T | 71.3 | Confident | 72.2 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.564 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.4 | -35.1 | 174.6 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | A8 L9 Y16 | A8-T12 WeakPolarHBondContact O-CG2 3.32Å; A8-T12 PolarHBondContact O-N 2.85Å; A8-T12 PolarHBondContact O-OG1 2.97Å; L9-T12 WeakPolarHBondContact CA-OG1 3.29Å; L9-T12 PolarHBondContact O-N 3.04Å; L9-T12 PolarHBondContact O-OG1 3Å; T12-Y16 VanDerWaalsContact O-CB 3.32Å; T12-Y16 WeakPolarHBondContact O-CB 3.38Å; T12-Y16 PolarHBondContact O-N 3.02Å |
| 13 | L | 78.7 | Confident | 72.5 | Confident | 103 Ų | 103 | 94.4 Ų | 94.4 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.1 | -45.6 | 177 | -169.2 | 77.5 | 0 | 0 | 0 | 111 | L9 S10 G15 Y16 I17 | L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 PolarHBondContact O-N 3.31Å; S10-L13 PolarHBondContact O-N 2.91Å; L13-G15 VanDerWaalsContact C-N 3.35Å; L13-Y16 PolarHBondContact O-N 3.26Å; L13-I17 HydrophobicContact CD2-CD1 4.42Å; L13-I17 HydrophobicContact CG-CD1 4.02Å; L13-I17 WeakPolarHBondContact O-CB 3.33Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.4Å; L13-I17 PolarHBondContact O-N 2.87Å |
| 14 | M | 76.3 | Confident | 72.3 | Confident | 117 Ų | 117 | 96.3 Ų | 96.3 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 174.3 | -73.4 | -64.5 | -179.6 | 0 | 0 | 111.5 | S10 I17 F18 | S10-M14 WeakPolarHBondContact O-CB 3.41Å; S10-M14 WeakPolarHBondContact O-CG 3.33Å; S10-M14 PolarHBondContact O-N 3.32Å; M14-I17 PolarHBondContact O-N 2.86Å; M14-F18 VanDerWaalsContact O-CB 3.24Å; M14-F18 WeakPolarHBondContact O-CB 3.44Å; M14-F18 PolarHBondContact O-N 3.47Å |
| 15 | G | 75.5 | Confident | 71.6 | Confident | 33 Ų | 33 | 91.9 Ų | 91.9 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | F11 L13 F18 C19 | F11-G15 PolarHBondContact O-N 3.01Å; L13-G15 VanDerWaalsContact C-N 3.35Å; G15-F18 PolarHBondContact O-N 2.85Å; G15-C19 WeakPolarHBondContact O-CB 3.3Å; G15-C19 PolarHBondContact O-N 3.45Å; G15-C19 PolarHBondContact O-SG 2.83Å |
| 16 | Y | 76.6 | Confident | 70.5 | Confident | 137 Ų | 137 | 92 Ų | 92 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.9 | -178.1 | -100.3 | 0 | 0 | 0 | 112.5 | T12 L13 C19 V20 Y1333 | T12-Y16 VanDerWaalsContact O-CB 3.32Å; T12-Y16 WeakPolarHBondContact O-CB 3.38Å; T12-Y16 PolarHBondContact O-N 3.02Å; L13-Y16 PolarHBondContact O-N 3.26Å; Y16-C19 WeakPolarHBondContact O-CB 3.3Å; Y16-C19 PolarHBondContact O-N 2.91Å; Y16-V20 HydrophobicContact CD1-CG2 4.29Å; Y16-V20 HydrophobicContact CE1-CG2 3.92Å; Y16-V20 HydrophobicContact CE2-CG2 4.39Å; Y16-V20 WeakPolarHBondContact O-CG2 3.5Å; Y16-V20 PolarHBondContact O-N 3.43Å; Y16-Y1333 HydrophobicContact CD2-CE2 4.46Å; Y16-Y1333 VanDerWaalsContact CD2-OH 3.28Å; Y16-Y1333 WeakPolarHBondContact CD2-OH 3.41Å; Y16-Y1333 WeakPolarHBondContact CE2-OH 3.34Å |
| 17 | I | 76.8 | Confident | 69.2 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 175.6 | -70.5 | 164.5 | 0 | 0 | 0 | 110.5 | L13 M14 C19 V20 I21 | L13-I17 HydrophobicContact CD2-CD1 4.42Å; L13-I17 HydrophobicContact CG-CD1 4.02Å; L13-I17 WeakPolarHBondContact O-CB 3.33Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.4Å; L13-I17 PolarHBondContact O-N 2.87Å; M14-I17 PolarHBondContact O-N 2.86Å; I17-C19 VanDerWaalsContact C-N 3.31Å; I17-C19 PolarHBondContact O-N 3.18Å; I17-V20 PolarHBondContact O-N 2.84Å; I17-V20 VanDerWaalsContact O-N 3.16Å; I17-I21 HydrophobicContact CG2-CD1 3.79Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 VanDerWaalsContact O-CG1 3.31Å; I17-I21 WeakPolarHBondContact O-CG1 3.35Å; I17-I21 PolarHBondContact O-N 3.27Å |
| 18 | F | 75 | Confident | 67.6 | Low | 127 Ų | 127 | 86.8 Ų | 86.8 | 56% | 0.557 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 176.1 | -174.2 | -109.1 | 0 | 0 | 0 | 111.8 | M14 G15 I21 L22 | M14-F18 VanDerWaalsContact O-CB 3.24Å; M14-F18 WeakPolarHBondContact O-CB 3.44Å; M14-F18 PolarHBondContact O-N 3.47Å; G15-F18 PolarHBondContact O-N 2.85Å; F18-I21 PolarHBondContact O-N 2.97Å; F18-L22 HydrophobicContact CD1-CD1 3.82Å; F18-L22 HydrophobicContact CD1-CG 4.38Å; F18-L22 HydrophobicContact CE1-CD1 3.44Å; F18-L22 VanDerWaalsContact CE1-CD1 3.44Å; F18-L22 HydrophobicContact CE1-CG 4.12Å; F18-L22 HydrophobicContact CZ-CD1 3.94Å; F18-L22 HydrophobicContact CZ-CD2 4.48Å; F18-L22 HydrophobicContact CZ-CG 4.22Å; F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 WeakPolarHBondContact O-CG 3.3Å; F18-L22 PolarHBondContact O-N 2.79Å |
| 19 | C | 68.6 | Low | 66.3 | Low | 16 Ų | 16 | 91 Ų | 91 | 11% | 0.108 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 172.9 | -68.3 | 0 | 0 | 0 | 0 | 112.9 | G15 Y16 I17 S23 Y1333 F1334 | G15-C19 WeakPolarHBondContact O-CB 3.3Å; G15-C19 PolarHBondContact O-N 3.45Å; G15-C19 PolarHBondContact O-SG 2.83Å; Y16-C19 WeakPolarHBondContact O-CB 3.3Å; Y16-C19 PolarHBondContact O-N 2.91Å; I17-C19 VanDerWaalsContact C-N 3.31Å; I17-C19 PolarHBondContact O-N 3.18Å; C19-S23 WeakPolarHBondContact O-CB 3.44Å; C19-S23 PolarHBondContact O-N 3.08Å; C19-Y1333 HydrophobicContact CB-CE1 3.6Å; C19-Y1333 VanDerWaalsContact SG-CE1 3.51Å; C19-F1334 HydrophobicContact CB-CE1 4.42Å; C19-F1334 HydrophobicContact CB-CZ 4.46Å; C19-F1334 WeakPolarHBondContact SG-CZ 3.27Å |
| 20 | V | 73.2 | Confident | 64.6 | Low | 52 Ų | 52 | 92.9 Ų | 92.9 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | Y16 I17 K24 | Y16-V20 HydrophobicContact CD1-CG2 4.29Å; Y16-V20 HydrophobicContact CE1-CG2 3.92Å; Y16-V20 HydrophobicContact CE2-CG2 4.39Å; Y16-V20 WeakPolarHBondContact O-CG2 3.5Å; Y16-V20 PolarHBondContact O-N 3.43Å; I17-V20 PolarHBondContact O-N 2.84Å; I17-V20 VanDerWaalsContact O-N 3.16Å; V20-K24 WeakPolarHBondContact O-CB 3.43Å; V20-K24 WeakPolarHBondContact O-CG 3.26Å; V20-K24 PolarHBondContact O-N 3.44Å |
| 21 | I | 72.4 | Confident | 62.7 | Low | 90 Ų | 90 | 95.6 Ų | 95.6 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -54 | 172.8 | -68.7 | 166.8 | 0 | 0 | 0 | 109.9 | I17 F18 S23 K24 C25 | I17-I21 HydrophobicContact CG2-CD1 3.79Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 VanDerWaalsContact O-CG1 3.31Å; I17-I21 WeakPolarHBondContact O-CG1 3.35Å; I17-I21 PolarHBondContact O-N 3.27Å; F18-I21 PolarHBondContact O-N 2.97Å; I21-S23 VanDerWaalsContact C-N 3.3Å; I21-S23 PolarHBondContact O-N 3.16Å; I21-K24 CarbonylContact O-C 3.23Å; I21-K24 WeakPolarHBondContact O-CA 3.42Å; I21-K24 PolarHBondContact O-N 2.94Å; I21-C25 PolarHBondContact O-N 2.89Å; I21-C25 PolarHBondContact O-SG 3.36Å; I21-C25 VanDerWaalsContact O-SG 3.38Å |
| 22 | L | 66.9 | Low | 60.7 | Low | 66 Ų | 66 | 95.7 Ų | 95.7 | 35% | 0.346 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 175.6 | -77.6 | 178.8 | 0 | 0 | 0 | 111.8 | F18 K24 C25 M26 | F18-L22 HydrophobicContact CD1-CD1 3.82Å; F18-L22 HydrophobicContact CD1-CG 4.38Å; F18-L22 HydrophobicContact CE1-CD1 3.44Å; F18-L22 VanDerWaalsContact CE1-CD1 3.44Å; F18-L22 HydrophobicContact CE1-CG 4.12Å; F18-L22 HydrophobicContact CZ-CD1 3.94Å; F18-L22 HydrophobicContact CZ-CD2 4.48Å; F18-L22 HydrophobicContact CZ-CG 4.22Å; F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 WeakPolarHBondContact O-CG 3.3Å; F18-L22 PolarHBondContact O-N 2.79Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 2.9Å; L22-C25 PolarHBondContact O-N 2.85Å; L22-M26 WeakPolarHBondContact O-CB 3.17Å; L22-M26 WeakPolarHBondContact O-CG 3.42Å; L22-M26 PolarHBondContact O-N 3.48Å |
| 23 | S | 66 | Low | 58.7 | Low | 62 Ų | 62 | 95.8 Ų | 95.8 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -32.5 | 176.7 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | C19 I21 V27 | C19-S23 WeakPolarHBondContact O-CB 3.44Å; C19-S23 PolarHBondContact O-N 3.08Å; I21-S23 VanDerWaalsContact C-N 3.3Å; I21-S23 PolarHBondContact O-N 3.16Å; S23-V27 WeakPolarHBondContact O-CB 3.44Å; S23-V27 WeakPolarHBondContact O-CG2 3.39Å; S23-V27 PolarHBondContact O-N 2.64Å |
| 24 | K | 57.4 | Low | 56.5 | Low | 146 Ų | 146 | 94.2 Ų | 94.2 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -75.5 | -43.8 | 173.8 | -80.1 | -175.3 | 172.9 | -175.4 | 0 | 112.2 | V20 I21 L22 V27 T28 | V20-K24 WeakPolarHBondContact O-CB 3.43Å; V20-K24 WeakPolarHBondContact O-CG 3.26Å; V20-K24 PolarHBondContact O-N 3.44Å; I21-K24 CarbonylContact O-C 3.23Å; I21-K24 WeakPolarHBondContact O-CA 3.42Å; I21-K24 PolarHBondContact O-N 2.94Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 2.9Å; K24-V27 CarbonylContact O-C 3.58Å; K24-V27 WeakPolarHBondContact O-CA 3.33Å; K24-V27 WeakPolarHBondContact O-CB 3.3Å; K24-V27 PolarHBondContact O-N 3.06Å; K24-T28 PolarHBondContact O-N 3.45Å; K24-T28 PolarHBondContact O-OG1 3.47Å |
| 25 | C | 52.7 | Low | 54.7 | Low | 66 Ų | 66 | 91.3 Ų | 91.3 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 174.8 | -66 | 0 | 0 | 0 | 0 | 111.5 | I21 L22 V27 T28 E29 | I21-C25 PolarHBondContact O-N 2.89Å; I21-C25 PolarHBondContact O-SG 3.36Å; I21-C25 VanDerWaalsContact O-SG 3.38Å; L22-C25 PolarHBondContact O-N 2.85Å; C25-V27 PolarHBondContact O-N 2.84Å; C25-T28 WeakPolarHBondContact CA-OG1 3.15Å; C25-T28 PolarHBondContact O-N 3.48Å; C25-T28 VanDerWaalsContact O-N 3.14Å; C25-T28 PolarHBondContact O-OG1 3.32Å; C25-E29 PolarHBondContact O-N 2.83Å |
| 26 | M | 48.9 | Very low | 52.8 | Low | 100 Ų | 100 | 93.6 Ų | 93.6 | 49% | 0.493 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.8 | -5.6 | 173.1 | -65.4 | -94.7 | 79.6 | 0 | 0 | 113.7 | L22 E29 R30 | L22-M26 WeakPolarHBondContact O-CB 3.17Å; L22-M26 WeakPolarHBondContact O-CG 3.42Å; L22-M26 PolarHBondContact O-N 3.48Å; M26-E29 VanDerWaalsContact CE-OE2 3.25Å; M26-E29 WeakPolarHBondContact CE-OE2 3.41Å; M26-R30 VanDerWaalsContact O-CG 3.31Å; M26-R30 WeakPolarHBondContact O-CG 3.5Å; M26-R30 PolarHBondContact O-NE 3.31Å; M26-R30 PolarHBondContact O-NH2 3.15Å |
| 27 | V | 48.1 | Very low | 50.9 | Low | 69 Ų | 69 | 93.2 Ų | 93.2 | 42% | 0.418 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -94.1 | -37.4 | 167.5 | 159.6 | 0 | 0 | 0 | 0 | 111 | S23 K24 C25 E29 R30 | S23-V27 WeakPolarHBondContact O-CB 3.44Å; S23-V27 WeakPolarHBondContact O-CG2 3.39Å; S23-V27 PolarHBondContact O-N 2.64Å; K24-V27 CarbonylContact O-C 3.58Å; K24-V27 WeakPolarHBondContact O-CA 3.33Å; K24-V27 WeakPolarHBondContact O-CB 3.3Å; K24-V27 PolarHBondContact O-N 3.06Å; C25-V27 PolarHBondContact O-N 2.84Å; V27-E29 VanDerWaalsContact C-N 3.27Å; V27-E29 PolarHBondContact O-N 3.27Å; V27-R30 VanDerWaalsContact CG2-CZ 3.46Å; V27-R30 VanDerWaalsContact O-CB 3.3Å; V27-R30 WeakPolarHBondContact O-CB 3.34Å; V27-R30 WeakPolarHBondContact O-CG 3.33Å; V27-R30 PolarHBondContact O-N 3.43Å |
| 28 | T | 42.3 | Very low | 49 | Very low | 106 Ų | 106 | 92 Ų | 92 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.3 | -21.6 | 178.9 | 40.3 | 0 | 0 | 0 | 0 | 114.3 | K24 C25 | K24-T28 PolarHBondContact O-N 3.45Å; K24-T28 PolarHBondContact O-OG1 3.47Å; C25-T28 WeakPolarHBondContact CA-OG1 3.15Å; C25-T28 PolarHBondContact O-N 3.48Å; C25-T28 VanDerWaalsContact O-N 3.14Å; C25-T28 PolarHBondContact O-OG1 3.32Å |
| 29 | E | 41.9 | Very low | 47.4 | Very low | 138 Ų | 138 | 88.3 Ų | 88.3 | 65% | 0.645 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11 | 170.1 | -71.1 | -169.2 | 122.8 | 0 | 0 | 114.3 | C25 M26 V27 T31 Q32 | C25-E29 PolarHBondContact O-N 2.83Å; M26-E29 VanDerWaalsContact CE-OE2 3.25Å; M26-E29 WeakPolarHBondContact CE-OE2 3.41Å; V27-E29 VanDerWaalsContact C-N 3.27Å; V27-E29 PolarHBondContact O-N 3.27Å; E29-T31 PolarHBondContact O-N 3.26Å; E29-Q32 PolarHBondContact O-N 2.89Å |
| 30 | R | 38.7 | Very low | 45.7 | Very low | 142 Ų | 142 | 94 Ų | 94 | 54% | 0.536 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 11.4 | -172.7 | -61.2 | -177.8 | -170.8 | -179.5 | 3.3 | 114.9 | M26 V27 | M26-R30 VanDerWaalsContact O-CG 3.31Å; M26-R30 WeakPolarHBondContact O-CG 3.5Å; M26-R30 PolarHBondContact O-NE 3.31Å; M26-R30 PolarHBondContact O-NH2 3.15Å; V27-R30 VanDerWaalsContact CG2-CZ 3.46Å; V27-R30 VanDerWaalsContact O-CB 3.3Å; V27-R30 WeakPolarHBondContact O-CB 3.34Å; V27-R30 WeakPolarHBondContact O-CG 3.33Å; V27-R30 PolarHBondContact O-N 3.43Å |
| 31 | T | 33.6 | Very low | 44 | Very low | 116 Ų | 116 | 93.5 Ų | 93.5 | 71% | 0.712 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | 9.6 | -176.9 | 53 | 0 | 0 | 0 | 0 | 114.9 | E29 P33 | E29-T31 PolarHBondContact O-N 3.26Å; T31-P33 VanDerWaalsContact C-CD 3.43Å |
| 32 | Q | 33.3 | Very low | 42.2 | Very low | 158 Ų | 158 | 94.2 Ų | 94.2 | 74% | 0.738 | 49% | 0.489 | S | S | * | . | trans | -124.1 | 64.2 | 167.2 | -68.3 | -161.5 | 21.4 | 0 | 0 | 114.7 | E29 T34 | E29-Q32 PolarHBondContact O-N 2.89Å; Q32-T34 WeakPolarHBondContact CA-OG1 3.13Å; Q32-T34 PolarHBondContact O-N 3.32Å | ||
| 33 | P | 29.4 | Very low | 40.9 | Very low | 94 Ų | 94 | 98.1 Ų | 98.1 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | trans | -76.1 | 40.3 | 168.4 | 35.9 | -36.7 | 0 | 0 | 0 | 111.9 | T31 L38 | T31-P33 VanDerWaalsContact C-CD 3.43Å; P33-L38 WeakPolarHBondContact O-CD1 3.46Å | ||
| 34 | T | 33.8 | Very low | 39.7 | Very low | 71 Ų | 71 | 100.7 Ų | 100.7 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | trans | -146.1 | 127.9 | -155.8 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | Q32 L38 | Q32-T34 WeakPolarHBondContact CA-OG1 3.13Å; Q32-T34 PolarHBondContact O-N 3.32Å; T34-L38 HydrophobicContact CG2-CD1 3.68Å | ||
| 35 | V | 38.7 | Very low | 38.7 | Very low | 56 Ų | 56 | 98 Ų | 98 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | S | Bend | cis | -130.4 | -30.1 | 24.7 | -175.8 | 0 | 0 | 0 | 0 | 114 | M37 L38 I39 | V35-M37 PolarHBondContact O-N 3.25Å; V35-L38 CarbonylContact O-C 3.59Å; V35-L38 VanDerWaalsContact O-CA 3.32Å; V35-L38 WeakPolarHBondContact O-CA 3.35Å; V35-L38 WeakPolarHBondContact O-CB 3.3Å; V35-L38 PolarHBondContact O-N 2.81Å; V35-I39 HydrophobicContact CG1-CD1 3.83Å; V35-I39 HydrophobicContact CG1-CG1 3.9Å; V35-I39 PolarHBondContact O-N 3.46Å |
| 36 | K | 35.2 | Very low | 37.6 | Very low | 81 Ų | 81 | 102.8 Ų | 102.8 | 35% | 0.352 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -53.8 | -54.1 | -174.6 | -81.8 | 172.6 | -174.4 | 172.5 | 0 | 113.4 | L38 I39 F40 T472 Q473 Q475 | K36-L38 PolarHBondContact O-N 3.33Å; K36-I39 PolarHBondContact O-N 2.89Å; K36-I39 VanDerWaalsContact O-N 3.09Å; K36-F40 PolarHBondContact O-N 2.99Å; K36-T472 PolarHBondContact NZ-O 3.48Å; K36-Q473 WeakPolarHBondContact CE-O 3.22Å; K36-Q473 WeakPolarHBondContact CG-O 3.37Å; K36-Q475 WeakPolarHBondContact CE-O 3.45Å; K36-Q475 PolarHBondContact NZ-O 3.22Å |
| 37 | M | 35.7 | Very low | 36.8 | Very low | 129 Ų | 129 | 102.9 Ų | 102.9 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -27.2 | 176 | -169.7 | -177.4 | 176.8 | 0 | 0 | 112.7 | V35 S41 Y1351 | V35-M37 PolarHBondContact O-N 3.25Å; M37-S41 WeakPolarHBondContact O-CB 3.48Å; M37-S41 PolarHBondContact O-N 3.5Å; M37-S41 PolarHBondContact O-OG 2.82Å; M37-Y1351 HydrophobicContact CE-CE2 4.08Å |
| 38 | L | 38.2 | Very low | 36.1 | Very low | 47 Ų | 47 | 109.6 Ų | 109.6 | 25% | 0.246 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -88 | -8.2 | 178.5 | -124.2 | -176.3 | 0 | 0 | 0 | 113.8 | P33 T34 V35 K36 S41 K42 | P33-L38 WeakPolarHBondContact O-CD1 3.46Å; T34-L38 HydrophobicContact CG2-CD1 3.68Å; V35-L38 CarbonylContact O-C 3.59Å; V35-L38 VanDerWaalsContact O-CA 3.32Å; V35-L38 WeakPolarHBondContact O-CA 3.35Å; V35-L38 WeakPolarHBondContact O-CB 3.3Å; V35-L38 PolarHBondContact O-N 2.81Å; K36-L38 PolarHBondContact O-N 3.33Å; L38-S41 WeakPolarHBondContact CA-OG 3.05Å; L38-K42 HydrophobicContact CD2-CD 3.79Å; L38-K42 VanDerWaalsContact CD2-CE 3.45Å; L38-K42 HydrophobicContact CD2-CG 3.76Å; L38-K42 WeakPolarHBondContact O-CB 3.3Å; L38-K42 WeakPolarHBondContact O-CD 3.43Å; L38-K42 VanDerWaalsContact O-CG 3.22Å; L38-K42 WeakPolarHBondContact O-CG 3.45Å; L38-K42 PolarHBondContact O-N 2.84Å |
| 39 | I | 39.4 | Very low | 35.6 | Very low | 50 Ų | 50 | 113.3 Ų | 113.3 | 26% | 0.256 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -80.7 | -57.9 | 168.3 | -73.1 | 166.4 | 0 | 0 | 0 | 108.5 | V35 K36 S41 K42 E43 | V35-I39 HydrophobicContact CG1-CD1 3.83Å; V35-I39 HydrophobicContact CG1-CG1 3.9Å; V35-I39 PolarHBondContact O-N 3.46Å; K36-I39 PolarHBondContact O-N 2.89Å; K36-I39 VanDerWaalsContact O-N 3.09Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 2.64Å; I39-K42 PolarHBondContact O-N 2.85Å; I39-E43 WeakPolarHBondContact CG2-OE2 3.48Å; I39-E43 PolarHBondContact O-N 3.2Å |
| 40 | F | 34.6 | Very low | 35 | Very low | 134 Ų | 134 | 113.9 Ų | 113.9 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.9 | -40.3 | -175.7 | -138.6 | -92.8 | 0 | 0 | 0 | 112.2 | K36 E43 Y44 | K36-F40 PolarHBondContact O-N 2.99Å; F40-E43 PolarHBondContact O-N 3.16Å; F40-Y44 HydrophobicContact CD1-CD2 4.06Å; F40-Y44 AromaticContact CE1-CD2 3.84Å; F40-Y44 HydrophobicContact CE1-CD2 3.84Å; F40-Y44 HydrophobicContact CE1-CE2 4.24Å; F40-Y44 HydrophobicContact CE1-CG 4.38Å; F40-Y44 HydrophobicContact CE2-CD2 4.5Å; F40-Y44 HydrophobicContact CE2-CE2 4.35Å; F40-Y44 HydrophobicContact CG-CD2 4.49Å; F40-Y44 HydrophobicContact CZ-CD2 4.08Å; F40-Y44 HydrophobicContact CZ-CE2 4.02Å; F40-Y44 PolarHBondContact O-N 2.88Å |
| 41 | S | 36.1 | Very low | 34.7 | Very low | 42 Ų | 42 | 113.5 Ų | 113.5 | 29% | 0.294 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.1 | -29.7 | 173.5 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | M37 L38 I39 L45 R46 | M37-S41 WeakPolarHBondContact O-CB 3.48Å; M37-S41 PolarHBondContact O-N 3.5Å; M37-S41 PolarHBondContact O-OG 2.82Å; L38-S41 WeakPolarHBondContact CA-OG 3.05Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 2.64Å; S41-L45 CarbonylContact O-C 3.52Å; S41-L45 VanDerWaalsContact O-C 3.31Å; S41-L45 WeakPolarHBondContact O-CA 3.02Å; S41-L45 WeakPolarHBondContact O-CB 3.49Å; S41-L45 PolarHBondContact O-N 3.03Å; S41-L45 VanDerWaalsContact O-N 3.15Å; S41-R46 PolarHBondContact O-N 2.92Å |
| 42 | K | 35.7 | Very low | 34.5 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -76 | -22.1 | 174.7 | -88.3 | 177.4 | 178.4 | 152.8 | 0 | 114.3 | L38 I39 R46 | L38-K42 HydrophobicContact CD2-CD 3.79Å; L38-K42 VanDerWaalsContact CD2-CE 3.45Å; L38-K42 HydrophobicContact CD2-CG 3.76Å; L38-K42 WeakPolarHBondContact O-CB 3.3Å; L38-K42 WeakPolarHBondContact O-CD 3.43Å; L38-K42 VanDerWaalsContact O-CG 3.22Å; L38-K42 WeakPolarHBondContact O-CG 3.45Å; L38-K42 PolarHBondContact O-N 2.84Å; I39-K42 PolarHBondContact O-N 2.85Å; K42-R46 WeakPolarHBondContact O-CB 3.41Å; K42-R46 PolarHBondContact O-NE 2.79Å |
| 43 | E | 40.1 | Very low | 34.3 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 69% | 0.692 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -102.5 | -34.3 | -176.1 | -66 | -172.5 | 132.2 | 0 | 0 | 113 | I39 F40 | I39-E43 WeakPolarHBondContact CG2-OE2 3.48Å; I39-E43 PolarHBondContact O-N 3.2Å; F40-E43 PolarHBondContact O-N 3.16Å |
| 44 | Y | 39 | Very low | 34.2 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -103.7 | -20.4 | 177.2 | -77.1 | -85.7 | 0 | 0 | 0 | 115.6 | F40 | F40-Y44 HydrophobicContact CD1-CD2 4.06Å; F40-Y44 AromaticContact CE1-CD2 3.84Å; F40-Y44 HydrophobicContact CE1-CD2 3.84Å; F40-Y44 HydrophobicContact CE1-CE2 4.24Å; F40-Y44 HydrophobicContact CE1-CG 4.38Å; F40-Y44 HydrophobicContact CE2-CD2 4.5Å; F40-Y44 HydrophobicContact CE2-CE2 4.35Å; F40-Y44 HydrophobicContact CG-CD2 4.49Å; F40-Y44 HydrophobicContact CZ-CD2 4.08Å; F40-Y44 HydrophobicContact CZ-CE2 4.02Å; F40-Y44 PolarHBondContact O-N 2.88Å |
| 45 | L | 37.4 | Very low | 33.9 | Very low | 88 Ų | 88 | 122 Ų | 122 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -124.8 | 19.7 | -171.5 | -66.3 | 169.7 | 0 | 0 | 0 | 114.4 | S41 P47 | S41-L45 CarbonylContact O-C 3.52Å; S41-L45 VanDerWaalsContact O-C 3.31Å; S41-L45 WeakPolarHBondContact O-CA 3.02Å; S41-L45 WeakPolarHBondContact O-CB 3.49Å; S41-L45 PolarHBondContact O-N 3.03Å; S41-L45 VanDerWaalsContact O-N 3.15Å; L45-P47 VanDerWaalsContact O-CD 3.29Å; L45-P47 WeakPolarHBondContact O-CD 3.46Å |
| 46 | R | 30.1 | Very low | 33.6 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | trans | -89.7 | 115.5 | 178.2 | -165.8 | -159.8 | -59.5 | -148.1 | 3.7 | 112.7 | S41 K42 K48 | S41-R46 PolarHBondContact O-N 2.92Å; K42-R46 WeakPolarHBondContact O-CB 3.41Å; K42-R46 PolarHBondContact O-NE 2.79Å; R46-K48 PolarHBondContact O-N 2.81Å | ||
| 47 | P | 31 | Very low | 33.7 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | trans | -67.5 | 131.2 | 164.8 | 28.5 | -33.6 | 0 | 0 | 0 | 110.4 | L45 K49 | L45-P47 VanDerWaalsContact O-CD 3.29Å; L45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-K49 VanDerWaalsContact C-N 3.35Å; P47-K49 PolarHBondContact O-N 3.26Å | ||
| 48 | K | 35 | Very low | 34.2 | Very low | 209 Ų | 209 | 125.9 Ų | 125.9 | 91% | 0.909 | 64% | 0.636 | S | S | * | * | trans | -73.9 | 81.7 | 176.1 | -76.2 | -172.5 | 174.5 | -176.9 | 0 | 111.6 | R46 | R46-K48 PolarHBondContact O-N 2.81Š| ||
| 49 | K | 30.9 | Very low | 34.7 | Very low | 184 Ų | 184 | 124.8 Ų | 124.8 | 80% | 0.8 | 63% | 0.629 | S | S | * | * | trans | -82.3 | 144.1 | 157.8 | -79.2 | -177.6 | 172.6 | 175.6 | 0 | 110 | P47 | P47-K49 VanDerWaalsContact C-N 3.35Å; P47-K49 PolarHBondContact O-N 3.26Å | ||
| 50 | N | 28.6 | Very low | 35.4 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 81% | 0.807 | 63% | 0.63 | S | S | * | * | trans | 70.1 | 120.8 | -171.6 | -41.5 | -20 | 0 | 0 | 0 | 110.8 | ||||
| 51 | V | 32.1 | Very low | 36.5 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 81% | 0.812 | 61% | 0.613 | S | S | * | * | cis | -135.9 | 163.3 | 40.2 | 164.6 | 0 | 0 | 0 | 0 | 111.5 | E53 | V51-E53 PolarHBondContact O-N 3.18Š| ||
| 52 | H | 30.3 | Very low | 37.5 | Very low | 193 Ų | 193 | 123.7 Ų | 123.7 | 89% | 0.894 | 63% | 0.629 | S | S | * | * | trans | -65.8 | 104.7 | 169.5 | -77.5 | -86 | 0 | 0 | 0 | 112.3 | ||||
| 53 | E | 28.8 | Very low | 38.5 | Very low | 182 Ų | 182 | 126 Ų | 126 | 85% | 0.85 | 64% | 0.639 | S | S | * | * | trans | -128.8 | 130.8 | 155.5 | -87.8 | -176.1 | 142.3 | 0 | 0 | 109.1 | V51 | V51-E53 PolarHBondContact O-N 3.18Š| ||
| 54 | P | 28 | Very low | 39.5 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 73% | 0.734 | 61% | 0.612 | S | S | * | * | trans | -85.1 | 153 | -179 | 34.2 | -34.6 | 0 | 0 | 0 | 112.5 | ||||
| 55 | T | 28 | Very low | 40.5 | Very low | 128 Ų | 128 | 118.2 Ų | 118.2 | 79% | 0.785 | 61% | 0.613 | S | S | * | * | trans | 53.6 | 89.8 | 158.3 | 50.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 56 | D | 32.4 | Very low | 41.8 | Very low | 153 Ų | 153 | 116.5 Ų | 116.5 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | -166.4 | 86.9 | 128.1 | -101.4 | -12.5 | 0 | 0 | 0 | 109.3 | Y58 | D56-Y58 PolarHBondContact O-N 2.79Å; D56-Y58 VanDerWaalsContact O-N 3.15Å | |||
| 57 | A | 36 | Very low | 43.6 | Very low | 98 Ų | 98 | 109 Ų | 109 | 81% | 0.81 | 58% | 0.58 | S | S | * | * | trans | -86.4 | 82.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 58 | Y | 46.2 | Very low | 45.6 | Very low | 97 Ų | 97 | 107.9 Ų | 107.9 | 38% | 0.38 | 57% | 0.574 | S | S | . | * | trans | -134.6 | 129.5 | 176.4 | -170.3 | -92.4 | 0 | 0 | 0 | 113.3 | D56 D60 A276 F279 | D56-Y58 PolarHBondContact O-N 2.79Å; D56-Y58 VanDerWaalsContact O-N 3.15Å; Y58-D60 PolarHBondContact O-N 3.4Å; Y58-A276 HydrophobicContact CD2-CB 4.07Å; Y58-A276 HydrophobicContact CE1-CB 4.31Å; Y58-A276 HydrophobicContact CE2-CB 3.52Å; Y58-A276 WeakPolarHBondContact OH-CA 3.32Å; Y58-F279 WeakPolarHBondContact OH-CD2 3.32Å | ||
| 59 | F | 49.4 | Very low | 47.5 | Very low | 25 Ų | 25 | 104.3 Ų | 104.3 | 11% | 0.11 | 56% | 0.555 | C | S | . | * | trans | -75 | 107 | 176.8 | 173.5 | -110.9 | 0 | 0 | 0 | 111.5 | H61 V64 Y109 V113 Q116 P220 P221 | F59-H61 HydrophobicContact CD1-CB 4.33Å; F59-H61 HydrophobicContact CE1-CB 3.81Å; F59-H61 HydrophobicContact CZ-CB 4.44Å; F59-H61 PolarHBondContact O-N 3.5Å; F59-V64 HydrophobicContact CE2-CG2 4.09Å; F59-V64 HydrophobicContact CZ-CG2 3.79Å; F59-Y109 AromaticContact CD1-CE2 3.71Å; F59-Y109 HydrophobicContact CD1-CE2 3.71Å; F59-Y109 AromaticContact CD1-CZ 3.91Å; F59-Y109 HydrophobicContact CE1-CE2 4.1Å; F59-V113 HydrophobicContact CD1-CG2 4.37Å; F59-V113 HydrophobicContact CE1-CG2 3.72Å; F59-V113 HydrophobicContact CZ-CG2 4.32Å; F59-Q116 HydrophobicContact CE2-CG 4.31Å; F59-Q116 HydrophobicContact CZ-CB 4.48Å; F59-P220 HydrophobicContact CB-CB 3.48Å; F59-P220 VanDerWaalsContact CB-CB 3.48Å; F59-P220 HydrophobicContact CG-CB 4.38Å; F59-P221 HydrophobicContact CD1-CG 4.5Å; F59-P221 HydrophobicContact CD2-CG 3.68Å; F59-P221 HydrophobicContact CE2-CG 3.75Å; F59-P221 HydrophobicContact CG-CG 4.08Å; F59-P221 HydrophobicContact CZ-CG 4.19Å | ||
| 60 | D | 54.6 | Low | 49.5 | Very low | 49 Ų | 49 | 95.6 Ų | 95.6 | 26% | 0.262 | 52% | 0.517 | S | S | . | . | trans | -86 | 89.6 | 174.7 | -171.5 | -1.3 | 0 | 0 | 0 | 111.3 | Y58 T62 K63 | Y58-D60 PolarHBondContact O-N 3.4Å; D60-T62 VanDerWaalsContact CG-OG1 3.26Å; D60-T62 PolarHBondContact O-N 2.83Å; D60-T62 WeakPolarHBondContact OD1-CB 3.4Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.25Å; D60-T62 PolarHBondContact OD1-N 3.11Å; D60-T62 VanDerWaalsContact OD1-N 3.09Å; D60-T62 PolarHBondContact OD1-OG1 3.02Å; D60-T62 PolarHBondContact OD2-OG1 2.87Å; D60-K63 HydrophobicContact CB-CD 4.17Å; D60-K63 HydrophobicContact CB-CG 4.12Å; D60-K63 WeakPolarHBondContact O-CB 3.44Å; D60-K63 PolarHBondContact O-N 3.36Å; D60-K63 IonicContact OD2-NZ 3.69Å; D60-K63 PolarHBondContact OD2-NZ 3.33Å | ||
| 61 | H | 57.4 | Low | 52 | Low | 50 Ų | 50 | 91.5 Ų | 91.5 | 23% | 0.231 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -51.3 | -24.4 | 174.5 | 64 | -80.2 | 0 | 0 | 0 | 114 | F59 K63 V64 Y109 A112 | F59-H61 HydrophobicContact CD1-CB 4.33Å; F59-H61 HydrophobicContact CE1-CB 3.81Å; F59-H61 HydrophobicContact CZ-CB 4.44Å; F59-H61 PolarHBondContact O-N 3.5Å; H61-K63 PolarHBondContact O-N 2.86Å; H61-V64 PolarHBondContact O-N 3.47Å; H61-Y109 HydrophobicContact CB-CD2 3.88Å; H61-Y109 HydrophobicContact CB-CE2 4.43Å; H61-Y109 AromaticContact CG-CD2 3.96Å; H61-Y109 AromaticContact ND1-CD2 3.95Å; H61-A112 HydrophobicContact CB-CB 3.97Å |
| 62 | T | 55.8 | Low | 54.2 | Low | 103 Ų | 103 | 91.1 Ų | 91.1 | 63% | 0.632 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -70 | -16.2 | 177.7 | 73.9 | 0 | 0 | 0 | 0 | 113.3 | D60 | D60-T62 VanDerWaalsContact CG-OG1 3.26Å; D60-T62 PolarHBondContact O-N 2.83Å; D60-T62 WeakPolarHBondContact OD1-CB 3.4Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.25Å; D60-T62 PolarHBondContact OD1-N 3.11Å; D60-T62 VanDerWaalsContact OD1-N 3.09Å; D60-T62 PolarHBondContact OD1-OG1 3.02Å; D60-T62 PolarHBondContact OD2-OG1 2.87Å |
| 63 | K | 57.5 | Low | 56.4 | Low | 154 Ų | 154 | 82 Ų | 82 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -83.4 | -7.1 | 175.9 | -62 | -173.9 | 173.6 | 81 | 0 | 113.7 | D60 H61 T65 | D60-K63 HydrophobicContact CB-CD 4.17Å; D60-K63 HydrophobicContact CB-CG 4.12Å; D60-K63 WeakPolarHBondContact O-CB 3.44Å; D60-K63 PolarHBondContact O-N 3.36Å; D60-K63 IonicContact OD2-NZ 3.69Å; D60-K63 PolarHBondContact OD2-NZ 3.33Å; H61-K63 PolarHBondContact O-N 2.86Å; K63-T65 PolarHBondContact O-N 3.24Å; K63-T65 VanDerWaalsContact O-N 3.16Å |
| 64 | V | 60.5 | Low | 58.8 | Low | 21 Ų | 21 | 75 Ų | 75 | 13% | 0.127 | 41% | 0.41 | C | S | . | . | trans | -81.7 | 93.9 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | F59 H61 A112 V115 | F59-V64 HydrophobicContact CE2-CG2 4.09Å; F59-V64 HydrophobicContact CZ-CG2 3.79Å; H61-V64 PolarHBondContact O-N 3.47Å; V64-A112 HydrophobicContact CB-CB 4.25Å; V64-A112 HydrophobicContact CG2-CB 4.21Å; V64-V115 HydrophobicContact CG1-CB 4.15Å; V64-V115 HydrophobicContact CG1-CG1 3.69Å | ||
| 65 | T | 60.1 | Low | 61.3 | Low | 80 Ų | 80 | 71.8 Ų | 71.8 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | trans | -76 | 139.4 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 113 | K63 K119 | K63-T65 PolarHBondContact O-N 3.24Å; K63-T65 VanDerWaalsContact O-N 3.16Å; T65-K119 PolarHBondContact O-NZ 3.25Å | ||
| 66 | I | 65.6 | Low | 63.8 | Low | 52 Ų | 52 | 67.4 Ų | 67.4 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | trans | -133.1 | 149.3 | 168 | -53.1 | 171.5 | 0 | 0 | 0 | 104.8 | V115 | I66-V115 HydrophobicContact CD1-CG1 4.34Å; I66-V115 HydrophobicContact CD1-CG2 3.99Å; I66-V115 HydrophobicContact CG1-CG1 4.13Å | ||
| 67 | G | 68.2 | Low | 66.1 | Low | 11 Ų | 11 | 61.3 Ų | 61.3 | 11% | 0.113 | 33% | 0.328 | C | S | . | . | trans | -57.1 | 147.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R69 S70 N71 D1356 | G67-R69 PolarHBondContact O-N 2.93Å; G67-S70 PolarHBondContact O-N 2.91Å; G67-N71 PolarHBondContact O-N 3.41Å; G67-D1356 VanDerWaalsContact CA-CG 3.46Å; G67-D1356 WeakPolarHBondContact CA-OD1 3.33Å; G67-D1356 WeakPolarHBondContact CA-OD2 3.42Å; G67-D1356 PolarHBondContact N-OD1 3.16Å; G67-D1356 VanDerWaalsContact N-OD1 3.08Å | ||
| 68 | S | 73.1 | Confident | 68.2 | Low | 78 Ų | 78 | 57.1 Ų | 57.1 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.8 | -50.5 | -170.3 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | S70 N71 E72 | S68-S70 VanDerWaalsContact C-N 3.28Å; S68-S70 PolarHBondContact O-N 3.32Å; S68-N71 PolarHBondContact O-N 2.88Å; S68-N71 VanDerWaalsContact O-N 3.15Å; S68-E72 WeakPolarHBondContact O-CB 3.35Å; S68-E72 WeakPolarHBondContact O-CG 3.33Å; S68-E72 PolarHBondContact O-N 3.46Å |
| 69 | R | 74.8 | Confident | 69.9 | Low | 134 Ų | 134 | 56.1 Ų | 56.1 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55 | -40.8 | 177.5 | -66.3 | 176.1 | 168.3 | 176.1 | -5.9 | 112.8 | G67 A73 D1357 | G67-R69 PolarHBondContact O-N 2.93Å; R69-A73 WeakPolarHBondContact O-CB 3.46Å; R69-A73 PolarHBondContact O-N 2.9Å; R69-D1357 VanDerWaalsContact CD-OD1 3.26Å; R69-D1357 WeakPolarHBondContact CD-OD1 3.45Å; R69-D1357 IonicContact CZ-OD1 3.8Å; R69-D1357 IonicContact NE-OD1 3.53Å; R69-D1357 IonicContact NH1-OD1 2.67Å; R69-D1357 PolarHBondContact NH1-OD1 3.33Å; R69-D1357 IonicContact NH1-OD2 2.8Å; R69-D1357 PolarHBondContact NH1-OD2 2.8Å |
| 70 | S | 73.4 | Confident | 71.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.5 | -36.8 | 179.2 | -77.3 | 0 | 0 | 0 | 0 | 112.5 | G67 S68 L74 D1356 L1359 S1360 | G67-S70 PolarHBondContact O-N 2.91Å; S68-S70 VanDerWaalsContact C-N 3.28Å; S68-S70 PolarHBondContact O-N 3.32Å; S70-L74 WeakPolarHBondContact O-CB 3.28Å; S70-L74 PolarHBondContact O-N 3.46Å; S70-D1356 PolarHBondContact OG-O 2.79Å; S70-L1359 WeakPolarHBondContact OG-CB 3.36Å; S70-L1359 WeakPolarHBondContact OG-CG 3.47Å; S70-S1360 PolarHBondContact OG-N 2.92Å; S70-S1360 VanDerWaalsContact OG-N 3.08Å |
| 71 | N | 79.6 | Confident | 72.5 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 170.8 | -178.1 | 33.3 | 0 | 0 | 0 | 111.4 | G67 S68 A73 L74 Q75 | G67-N71 PolarHBondContact O-N 3.41Å; S68-N71 PolarHBondContact O-N 2.88Å; S68-N71 VanDerWaalsContact O-N 3.15Å; N71-A73 VanDerWaalsContact C-N 3.34Å; N71-A73 PolarHBondContact O-N 3.43Å; N71-L74 WeakPolarHBondContact O-CB 3.4Å; N71-L74 PolarHBondContact O-N 3.31Å; N71-L74 VanDerWaalsContact O-N 3.16Å; N71-Q75 VanDerWaalsContact O-CG 3.31Å; N71-Q75 WeakPolarHBondContact O-CG 3.35Å; N71-Q75 PolarHBondContact O-N 3.03Å; N71-Q75 PolarHBondContact OD1-NE2 2.87Å |
| 72 | E | 78.3 | Confident | 73.6 | Confident | 126 Ų | 126 | 52.2 Ų | 52.2 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.4 | -43.6 | 175.3 | -73.7 | 162.4 | -147.8 | 0 | 0 | 111.8 | S68 S76 | S68-E72 WeakPolarHBondContact O-CB 3.35Å; S68-E72 WeakPolarHBondContact O-CG 3.33Å; S68-E72 PolarHBondContact O-N 3.46Å; E72-S76 VanDerWaalsContact O-CB 3.28Å; E72-S76 WeakPolarHBondContact O-CB 3.43Å; E72-S76 PolarHBondContact O-N 3.42Å |
| 73 | A | 77.1 | Confident | 74.7 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R69 N71 S76 I77 L1363 | R69-A73 WeakPolarHBondContact O-CB 3.46Å; R69-A73 PolarHBondContact O-N 2.9Å; N71-A73 VanDerWaalsContact C-N 3.34Å; N71-A73 PolarHBondContact O-N 3.43Å; A73-S76 PolarHBondContact O-N 2.97Å; A73-I77 WeakPolarHBondContact O-CG1 3.45Å; A73-I77 PolarHBondContact O-N 3.48Å; A73-L1363 HydrophobicContact CB-CB 3.68Å; A73-L1363 HydrophobicContact CB-CD1 4.21Å |
| 74 | L | 79.6 | Confident | 75.4 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 177.6 | -170.1 | 90.9 | 0 | 0 | 0 | 112.5 | S70 N71 S76 I77 F78 C111 | S70-L74 WeakPolarHBondContact O-CB 3.28Å; S70-L74 PolarHBondContact O-N 3.46Å; N71-L74 WeakPolarHBondContact O-CB 3.4Å; N71-L74 PolarHBondContact O-N 3.31Å; N71-L74 VanDerWaalsContact O-N 3.16Å; L74-S76 VanDerWaalsContact C-N 3.3Å; L74-S76 PolarHBondContact O-N 3.36Å; L74-I77 WeakPolarHBondContact O-CB 3.38Å; L74-I77 PolarHBondContact O-N 3.45Å; L74-I77 VanDerWaalsContact O-N 3.16Å; L74-F78 HydrophobicContact CD1-CZ 4.33Å; L74-F78 HydrophobicContact CD2-CE2 3.64Å; L74-F78 HydrophobicContact CD2-CZ 3.84Å; L74-F78 HydrophobicContact CG-CD2 4.48Å; L74-F78 HydrophobicContact CG-CE2 3.8Å; L74-F78 HydrophobicContact CG-CZ 3.86Å; L74-F78 PolarHBondContact O-N 3Å; L74-C111 HydrophobicContact CD2-CB 4.4Å |
| 75 | Q | 80.2 | Confident | 75.9 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 175.5 | -63.7 | -61.2 | -25.1 | 0 | 0 | 110.7 | N71 I77 F78 D79 | N71-Q75 VanDerWaalsContact O-CG 3.31Å; N71-Q75 WeakPolarHBondContact O-CG 3.35Å; N71-Q75 PolarHBondContact O-N 3.03Å; N71-Q75 PolarHBondContact OD1-NE2 2.87Å; Q75-I77 VanDerWaalsContact C-N 3.29Å; Q75-I77 PolarHBondContact O-N 3.31Å; Q75-F78 PolarHBondContact O-N 3.12Å; Q75-F78 VanDerWaalsContact O-N 3.13Å; Q75-D79 PolarHBondContact O-N 3.49Å |
| 76 | S | 80.5 | Confident | 76.6 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.5 | -32.3 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | E72 A73 L74 L80 K1367 | E72-S76 VanDerWaalsContact O-CB 3.28Å; E72-S76 WeakPolarHBondContact O-CB 3.43Å; E72-S76 PolarHBondContact O-N 3.42Å; A73-S76 PolarHBondContact O-N 2.97Å; L74-S76 VanDerWaalsContact C-N 3.3Å; L74-S76 PolarHBondContact O-N 3.36Å; S76-L80 WeakPolarHBondContact O-CB 3.41Å; S76-L80 WeakPolarHBondContact O-CD1 3.15Å; S76-L80 WeakPolarHBondContact O-CG 3.4Å; S76-L80 PolarHBondContact O-N 2.85Å; S76-L80 VanDerWaalsContact O-N 3.1Å; S76-K1367 WeakPolarHBondContact OG-CD 3.14Å; S76-K1367 WeakPolarHBondContact OG-CE 3.4Å; S76-K1367 PolarHBondContact OG-NZ 2.93Å |
| 77 | I | 80.1 | Confident | 77 | Confident | 26 Ų | 26 | 46.9 Ų | 46.9 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -45.2 | 170.7 | -71.5 | 163.6 | 0 | 0 | 0 | 110.7 | A73 L74 Q75 L80 L81 L1363 K1367 F1371 | A73-I77 WeakPolarHBondContact O-CG1 3.45Å; A73-I77 PolarHBondContact O-N 3.48Å; L74-I77 WeakPolarHBondContact O-CB 3.38Å; L74-I77 PolarHBondContact O-N 3.45Å; L74-I77 VanDerWaalsContact O-N 3.16Å; Q75-I77 VanDerWaalsContact C-N 3.29Å; Q75-I77 PolarHBondContact O-N 3.31Å; I77-L80 PolarHBondContact O-N 3.06Å; I77-L81 VanDerWaalsContact O-CB 3.32Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 PolarHBondContact O-N 3.44Å; I77-L1363 HydrophobicContact CD1-CB 4.32Å; I77-L1363 HydrophobicContact CD1-CD2 4.03Å; I77-K1367 HydrophobicContact CD1-CB 4.24Å; I77-K1367 HydrophobicContact CG1-CB 3.74Å; I77-K1367 HydrophobicContact CG1-CD 4.23Å; I77-K1367 HydrophobicContact CG1-CG 4.07Å; I77-F1371 HydrophobicContact CG2-CE2 4.23Å; I77-F1371 HydrophobicContact CG2-CZ 4.48Å |
| 78 | F | 80.8 | Confident | 77.2 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 4% | 0.044 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.5 | -62.3 | -36.6 | 0 | 0 | 0 | 112.3 | L74 Q75 L81 L82 L107 Q108 C111 | L74-F78 HydrophobicContact CD1-CZ 4.33Å; L74-F78 HydrophobicContact CD2-CE2 3.64Å; L74-F78 HydrophobicContact CD2-CZ 3.84Å; L74-F78 HydrophobicContact CG-CD2 4.48Å; L74-F78 HydrophobicContact CG-CE2 3.8Å; L74-F78 HydrophobicContact CG-CZ 3.86Å; L74-F78 PolarHBondContact O-N 3Å; Q75-F78 PolarHBondContact O-N 3.12Å; Q75-F78 VanDerWaalsContact O-N 3.13Å; F78-L81 WeakPolarHBondContact O-CB 3.34Å; F78-L81 PolarHBondContact O-N 2.78Å; F78-L82 WeakPolarHBondContact O-CB 3.13Å; F78-L82 WeakPolarHBondContact O-CD1 3.37Å; F78-L82 WeakPolarHBondContact O-CG 3.35Å; F78-L82 PolarHBondContact O-N 3.28Å; F78-L107 HydrophobicContact CD1-CB 4.09Å; F78-L107 HydrophobicContact CD1-CD1 4.38Å; F78-L107 HydrophobicContact CE1-CB 3.91Å; F78-L107 HydrophobicContact CZ-CB 4.31Å; F78-Q108 HydrophobicContact CD2-CG 3.95Å; F78-Q108 HydrophobicContact CE2-CB 4.44Å; F78-Q108 HydrophobicContact CE2-CG 3.71Å; F78-C111 HydrophobicContact CZ-CB 4Å |
| 79 | D | 80.9 | Confident | 77 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 40% | 0.401 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.7 | -34.3 | -179.8 | -74 | -44.8 | 0 | 0 | 0 | 112.4 | Q75 K83 K104 | Q75-D79 PolarHBondContact O-N 3.49Å; D79-K83 WeakPolarHBondContact O-CB 3.25Å; D79-K83 PolarHBondContact O-N 2.86Å; D79-K104 IonicContact OD1-NZ 3.71Å; D79-K104 PolarHBondContact OD1-NZ 3.23Å; D79-K104 IonicContact OD2-NZ 2.66Å; D79-K104 PolarHBondContact OD2-NZ 3.31Å |
| 80 | L | 80.3 | Confident | 76.9 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 12% | 0.12 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -41.5 | 170.2 | -74.5 | 163.3 | 0 | 0 | 0 | 112.1 | S76 I77 K83 E84 K1367 F1371 F1372 | S76-L80 WeakPolarHBondContact O-CB 3.41Å; S76-L80 WeakPolarHBondContact O-CD1 3.15Å; S76-L80 WeakPolarHBondContact O-CG 3.4Å; S76-L80 PolarHBondContact O-N 2.85Å; S76-L80 VanDerWaalsContact O-N 3.1Å; I77-L80 PolarHBondContact O-N 3.06Å; L80-K83 PolarHBondContact O-N 3.09Å; L80-E84 WeakPolarHBondContact O-CB 3.35Å; L80-E84 PolarHBondContact O-N 2.84Å; L80-K1367 HydrophobicContact CD1-CD 4Å; L80-K1367 HydrophobicContact CD1-CG 3.68Å; L80-F1371 HydrophobicContact CB-CD1 3.86Å; L80-F1371 HydrophobicContact CB-CD2 3.73Å; L80-F1371 HydrophobicContact CB-CE1 3.75Å; L80-F1371 HydrophobicContact CB-CE2 3.63Å; L80-F1371 HydrophobicContact CB-CG 3.86Å; L80-F1371 HydrophobicContact CB-CZ 3.64Å; L80-F1371 HydrophobicContact CD1-CD2 3.73Å; L80-F1371 HydrophobicContact CD1-CE2 4.19Å; L80-F1371 HydrophobicContact CD1-CG 4.17Å; L80-F1371 HydrophobicContact CG-CD2 4.31Å; L80-F1371 HydrophobicContact CG-CG 4.46Å; L80-F1372 HydrophobicContact CD1-CE2 4.15Å; L80-F1372 HydrophobicContact CD2-CE2 4.45Å; L80-F1372 HydrophobicContact CD2-CZ 4.35Å |
| 81 | L | 78.9 | Confident | 76.8 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.5 | -51.3 | 175.7 | -169.2 | 172.9 | 0 | 0 | 0 | 111 | I77 F78 K83 Y85 I86 L107 I298 V303 F1371 | I77-L81 VanDerWaalsContact O-CB 3.32Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 PolarHBondContact O-N 3.44Å; F78-L81 WeakPolarHBondContact O-CB 3.34Å; F78-L81 PolarHBondContact O-N 2.78Å; L81-K83 VanDerWaalsContact C-N 3.35Å; L81-K83 PolarHBondContact O-N 2.87Å; L81-Y85 WeakPolarHBondContact O-CB 3.46Å; L81-Y85 PolarHBondContact O-N 3.04Å; L81-I86 HydrophobicContact CD2-CD1 3.67Å; L81-L107 HydrophobicContact CD1-CD1 4.34Å; L81-I298 HydrophobicContact CD2-CG2 4.17Å; L81-V303 HydrophobicContact CD1-CG2 3.6Å; L81-V303 HydrophobicContact CG-CG2 4.32Å; L81-F1371 HydrophobicContact CB-CE1 4.43Å; L81-F1371 HydrophobicContact CB-CZ 4.13Å |
| 82 | L | 79.9 | Confident | 76.5 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -61.8 | -41.4 | 178.6 | -68.8 | 164.1 | 0 | 0 | 0 | 111.7 | F78 I86 E87 M100 L103 K104 | F78-L82 WeakPolarHBondContact O-CB 3.13Å; F78-L82 WeakPolarHBondContact O-CD1 3.37Å; F78-L82 WeakPolarHBondContact O-CG 3.35Å; F78-L82 PolarHBondContact O-N 3.28Å; L82-I86 HydrophobicContact CD2-CD1 4.11Å; L82-I86 CarbonylContact O-C 3.49Å; L82-I86 WeakPolarHBondContact O-CB 3.24Å; L82-I86 PolarHBondContact O-N 3.03Å; L82-E87 PolarHBondContact O-N 3.37Å; L82-M100 HydrophobicContact CB-CE 4.47Å; L82-L103 HydrophobicContact CD2-CB 4.41Å; L82-L103 HydrophobicContact CD2-CD2 4.03Å; L82-L103 HydrophobicContact CD2-CG 4.09Å; L82-K104 HydrophobicContact CD1-CB 3.78Å; L82-K104 HydrophobicContact CD1-CD 3.86Å; L82-K104 HydrophobicContact CD1-CG 3.87Å |
| 83 | K | 79.2 | Confident | 76 | Confident | 129 Ų | 129 | 53.2 Ų | 53.2 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | I | π-helix | trans | -70.4 | -49.2 | -179.2 | -176.2 | 177.7 | -178.6 | -177.1 | 0 | 113.1 | D79 L80 L81 E87 | D79-K83 WeakPolarHBondContact O-CB 3.25Å; D79-K83 PolarHBondContact O-N 2.86Å; L80-K83 PolarHBondContact O-N 3.09Å; L81-K83 VanDerWaalsContact C-N 3.35Å; L81-K83 PolarHBondContact O-N 2.87Å; K83-E87 WeakPolarHBondContact O-CB 3.31Å |
| 84 | E | 72.4 | Confident | 75.9 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -81.1 | -39.3 | -172.6 | -68 | -173.6 | -156.6 | 0 | 0 | 113.2 | L80 | L80-E84 WeakPolarHBondContact O-CB 3.35Å; L80-E84 PolarHBondContact O-N 2.84Å |
| 85 | Y | 70.8 | Confident | 75.5 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -99.5 | -18.1 | -174.2 | -66.6 | -82 | 0 | 0 | 0 | 114.5 | L81 W89 C302 F1371 | L81-Y85 WeakPolarHBondContact O-CB 3.46Å; L81-Y85 PolarHBondContact O-N 3.04Å; Y85-W89 VanDerWaalsContact O-CD1 3.31Å; Y85-W89 PolarHBondContact O-NE1 2.69Å; Y85-W89 VanDerWaalsContact O-NE1 3.09Å; Y85-C302 HydrophobicContact CD1-CB 3.71Å; Y85-C302 WeakPolarHBondContact CD1-SG 3.39Å; Y85-C302 HydrophobicContact CD2-CB 4.31Å; Y85-C302 HydrophobicContact CE1-CB 3.79Å; Y85-C302 HydrophobicContact CE2-CB 4.39Å; Y85-C302 HydrophobicContact CG-CB 3.98Å; Y85-F1371 HydrophobicContact CD2-CE1 4.35Å; Y85-F1371 HydrophobicContact CE2-CD1 4.33Å; Y85-F1371 AromaticContact CE2-CE1 3.92Å; Y85-F1371 HydrophobicContact CE2-CE1 3.92Å |
| 86 | I | 75.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -119.2 | -51.9 | -175.5 | -65.9 | 126.8 | 0 | 0 | 0 | 112.9 | L81 L82 F88 W89 Y90 F99 M100 L103 F294 I298 | L81-I86 HydrophobicContact CD2-CD1 3.67Å; L82-I86 HydrophobicContact CD2-CD1 4.11Å; L82-I86 CarbonylContact O-C 3.49Å; L82-I86 WeakPolarHBondContact O-CB 3.24Å; L82-I86 PolarHBondContact O-N 3.03Å; I86-F88 VanDerWaalsContact C-N 3.28Å; I86-F88 PolarHBondContact O-N 3.08Å; I86-W89 HydrophobicContact CG2-CZ2 4.24Å; I86-W89 PolarHBondContact O-N 3.49Å; I86-W89 PolarHBondContact O-NE1 3.47Å; I86-Y90 WeakPolarHBondContact O-CB 3.43Å; I86-Y90 PolarHBondContact O-N 3.43Å; I86-F99 HydrophobicContact CG2-CE1 4.47Å; I86-M100 HydrophobicContact CG2-CG 4.31Å; I86-L103 HydrophobicContact CD1-CD2 3.68Å; I86-L103 HydrophobicContact CG1-CD2 4.26Å; I86-F294 HydrophobicContact CG1-CZ 4.38Å; I86-I298 HydrophobicContact CD1-CD1 4.03Å; I86-I298 HydrophobicContact CG1-CD1 4Å |
| 87 | E | 74.1 | Confident | 75 | Confident | 52 Ų | 52 | 62.9 Ų | 62.9 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -57 | -41.8 | -175.1 | -163 | -165.9 | 149.7 | 0 | 0 | 112.1 | L82 K83 W89 Y90 R91 M100 | L82-E87 PolarHBondContact O-N 3.37Å; K83-E87 WeakPolarHBondContact O-CB 3.31Å; E87-W89 VanDerWaalsContact C-N 3.31Å; E87-W89 PolarHBondContact O-N 2.95Å; E87-Y90 PolarHBondContact O-N 3.04Å; E87-R91 HydrophobicContact CG-CB 4.08Å; E87-R91 WeakPolarHBondContact O-CB 3.09Å; E87-R91 PolarHBondContact O-N 3.41Å; E87-R91 WeakPolarHBondContact OE1-CD 3.28Å; E87-R91 IonicContact OE1-CZ 2.58Å; E87-R91 IonicContact OE1-NE 2.69Å; E87-R91 IonicContact OE1-NH1 3.97Å; E87-R91 PolarHBondContact OE1-NH1 3.12Å; E87-M100 HydrophobicContact CB-CE 3.91Å; E87-M100 HydrophobicContact CG-CE 4.11Å |
| 88 | F | 71.4 | Confident | 74.6 | Confident | 133 Ų | 133 | 65.8 Ų | 65.8 | 58% | 0.583 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -50.3 | -44.4 | -178.9 | 175 | -102.3 | 0 | 0 | 0 | 114.1 | I86 P92 | I86-F88 VanDerWaalsContact C-N 3.28Å; I86-F88 PolarHBondContact O-N 3.08Å; F88-P92 WeakPolarHBondContact O-CD 3.11Å; F88-P92 WeakPolarHBondContact O-CG 3.26Å |
| 89 | W | 69.6 | Low | 74.2 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -96.2 | -35 | 178.5 | 69.3 | -94.9 | 0 | 0 | 0 | 112.3 | Y85 I86 E87 P92 F93 F99 F294 | Y85-W89 VanDerWaalsContact O-CD1 3.31Å; Y85-W89 PolarHBondContact O-NE1 2.69Å; Y85-W89 VanDerWaalsContact O-NE1 3.09Å; I86-W89 HydrophobicContact CG2-CZ2 4.24Å; I86-W89 PolarHBondContact O-N 3.49Å; I86-W89 PolarHBondContact O-NE1 3.47Å; E87-W89 VanDerWaalsContact C-N 3.31Å; E87-W89 PolarHBondContact O-N 2.95Å; W89-P92 WeakPolarHBondContact O-CD 3.32Å; W89-F93 AromaticContact CE3-CD2 3.81Å; W89-F93 HydrophobicContact CE3-CD2 3.81Å; W89-F93 AromaticContact CE3-CE2 3.84Å; W89-F93 HydrophobicContact CE3-CE2 3.84Å; W89-F93 HydrophobicContact CZ3-CD2 4.27Å; W89-F93 WeakPolarHBondContact O-CD2 3.48Å; W89-F93 WeakPolarHBondContact O-CE2 3.3Å; W89-F99 HydrophobicContact CH2-CE1 4.42Å; W89-F294 HydrophobicContact CH2-CE2 4.34Å; W89-F294 HydrophobicContact CH2-CZ 4.25Å; W89-F294 AromaticContact CZ2-CE2 3.74Å; W89-F294 HydrophobicContact CZ2-CE2 3.74Å; W89-F294 AromaticContact CZ2-CZ 3.52Å; W89-F294 HydrophobicContact CZ2-CZ 3.52Å |
| 90 | Y | 72.1 | Confident | 74 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69 | -45 | -174.6 | -177.9 | -99.8 | 0 | 0 | 0 | 112.9 | I86 E87 F93 T94 N96 F99 M100 | I86-Y90 WeakPolarHBondContact O-CB 3.43Å; I86-Y90 PolarHBondContact O-N 3.43Å; E87-Y90 PolarHBondContact O-N 3.04Å; Y90-F93 PolarHBondContact O-N 3.19Å; Y90-T94 HydrophobicContact CD1-CG2 4.27Å; Y90-T94 HydrophobicContact CD2-CG2 4.07Å; Y90-T94 HydrophobicContact CE1-CG2 3.69Å; Y90-T94 HydrophobicContact CE2-CG2 3.46Å; Y90-T94 VanDerWaalsContact CE2-CG2 3.46Å; Y90-T94 HydrophobicContact CG-CG2 4.43Å; Y90-T94 PolarHBondContact O-N 3.1Å; Y90-T94 VanDerWaalsContact O-N 3.13Å; Y90-T94 WeakPolarHBondContact OH-CG2 3.41Å; Y90-N96 VanDerWaalsContact CE1-O 3.28Å; Y90-N96 WeakPolarHBondContact CE1-O 3.26Å; Y90-N96 PolarHBondContact OH-O 2.9Å; Y90-F99 AromaticContact CD2-CD1 3.78Å; Y90-F99 HydrophobicContact CD2-CD1 3.78Å; Y90-F99 HydrophobicContact CD2-CE1 4.3Å; Y90-F99 HydrophobicContact CE2-CB 3.83Å; Y90-F99 AromaticContact CE2-CD1 3.48Å; Y90-F99 HydrophobicContact CE2-CD1 3.48Å; Y90-F99 VanDerWaalsContact CE2-CD1 3.48Å; Y90-F99 HydrophobicContact CE2-CE1 4.34Å; Y90-F99 AromaticContact CE2-CG 3.92Å; Y90-F99 HydrophobicContact CE2-CG 3.92Å; Y90-F99 HydrophobicContact CG-CD1 4.5Å; Y90-F99 AromaticContact CZ-CD1 4Å; Y90-F99 VanDerWaalsContact OH-CB 3.29Å; Y90-F99 WeakPolarHBondContact OH-CB 3.42Å; Y90-M100 HydrophobicContact CD1-CG 3.91Å; Y90-M100 HydrophobicContact CD1-SD 3.74Å; Y90-M100 HydrophobicContact CE1-CG 3.98Å; Y90-M100 HydrophobicContact CE1-SD 4.12Å |
| 91 | R | 72 | Confident | 73.8 | Confident | 175 Ų | 175 | 68.5 Ų | 68.5 | 66% | 0.66 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.2 | -34.1 | -177.1 | -178.3 | 174.8 | 174.2 | 178.7 | -1 | 113.7 | E87 | E87-R91 HydrophobicContact CG-CB 4.08Å; E87-R91 WeakPolarHBondContact O-CB 3.09Å; E87-R91 PolarHBondContact O-N 3.41Å; E87-R91 WeakPolarHBondContact OE1-CD 3.28Å; E87-R91 IonicContact OE1-CZ 2.58Å; E87-R91 IonicContact OE1-NE 2.69Å; E87-R91 IonicContact OE1-NH1 3.97Å; E87-R91 PolarHBondContact OE1-NH1 3.12Å |
| 92 | P | 72.7 | Confident | 73.4 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.4 | -27.5 | 166 | -31.1 | 35.7 | 0 | 0 | 0 | 117.3 | F88 W89 | F88-P92 WeakPolarHBondContact O-CD 3.11Å; F88-P92 WeakPolarHBondContact O-CG 3.26Å; W89-P92 WeakPolarHBondContact O-CD 3.32Å |
| 93 | F | 67.8 | Low | 73.3 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -89.9 | -36.5 | -179.5 | -67.8 | -74.7 | 0 | 0 | 0 | 113.2 | W89 Y90 L923 V927 | W89-F93 AromaticContact CE3-CD2 3.81Å; W89-F93 HydrophobicContact CE3-CD2 3.81Å; W89-F93 AromaticContact CE3-CE2 3.84Å; W89-F93 HydrophobicContact CE3-CE2 3.84Å; W89-F93 HydrophobicContact CZ3-CD2 4.27Å; W89-F93 WeakPolarHBondContact O-CD2 3.48Å; W89-F93 WeakPolarHBondContact O-CE2 3.3Å; Y90-F93 PolarHBondContact O-N 3.19Å; F93-L923 HydrophobicContact CD1-CD2 4.12Å; F93-L923 HydrophobicContact CE1-CD2 3.44Å; F93-L923 VanDerWaalsContact CE1-CD2 3.44Å; F93-L923 HydrophobicContact CE1-CG 3.84Å; F93-L923 HydrophobicContact CZ-CD2 4.17Å; F93-L923 HydrophobicContact CZ-CG 4.16Å; F93-V927 HydrophobicContact CZ-CG2 3.85Å |
| 94 | T | 74.3 | Confident | 73.2 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | trans | -153.3 | 145.6 | -174.8 | 179 | 0 | 0 | 0 | 0 | 112 | Y90 N96 | Y90-T94 HydrophobicContact CD1-CG2 4.27Å; Y90-T94 HydrophobicContact CD2-CG2 4.07Å; Y90-T94 HydrophobicContact CE1-CG2 3.69Å; Y90-T94 HydrophobicContact CE2-CG2 3.46Å; Y90-T94 VanDerWaalsContact CE2-CG2 3.46Å; Y90-T94 HydrophobicContact CG-CG2 4.43Å; Y90-T94 PolarHBondContact O-N 3.1Å; Y90-T94 VanDerWaalsContact O-N 3.13Å; Y90-T94 WeakPolarHBondContact OH-CG2 3.41Å; T94-N96 PolarHBondContact OG1-N 3.31Å | ||
| 95 | S | 71.9 | Confident | 73.2 | Confident | 123 Ų | 123 | 67 Ų | 67 | 86% | 0.86 | 34% | 0.341 | S | S | * | . | trans | -93.7 | 3.1 | 175.1 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | P97 | S95-P97 WeakPolarHBondContact O-CD 3.24Š| ||
| 96 | N | 74.2 | Confident | 73.5 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | trans | -80.5 | 117 | 179 | -175.2 | -2.7 | 0 | 0 | 0 | 111.1 | Y90 T94 D98 | Y90-N96 VanDerWaalsContact CE1-O 3.28Å; Y90-N96 WeakPolarHBondContact CE1-O 3.26Å; Y90-N96 PolarHBondContact OH-O 2.9Å; T94-N96 PolarHBondContact OG1-N 3.31Å; N96-D98 VanDerWaalsContact C-N 3.27Å; N96-D98 PolarHBondContact ND2-OD2 3.42Å; N96-D98 PolarHBondContact O-N 3.23Å; N96-D98 VanDerWaalsContact OD1-CB 3.32Å; N96-D98 WeakPolarHBondContact OD1-CB 3.3Å; N96-D98 PolarHBondContact OD1-N 2.64Å; N96-D98 PolarHBondContact OD1-OD2 2.85Å; N96-D98 VanDerWaalsContact OD1-OD2 3.13Å | ||
| 97 | P | 76.6 | Confident | 73.6 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -14.2 | 178 | 31.6 | -37.6 | 0 | 0 | 0 | 114.7 | S95 F99 M100 V101 | S95-P97 WeakPolarHBondContact O-CD 3.24Å; P97-F99 VanDerWaalsContact C-N 3.3Å; P97-F99 PolarHBondContact O-N 3.42Å; P97-F99 VanDerWaalsContact O-N 3.12Å; P97-M100 PolarHBondContact O-N 3.12Å; P97-V101 HydrophobicContact CB-CG2 4.42Å; P97-V101 PolarHBondContact O-N 3.08Å |
| 98 | D | 71.3 | Confident | 73.8 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -46 | -48.5 | -171.8 | -76.8 | -24.8 | 0 | 0 | 0 | 113.4 | N96 M100 V101 Q102 | N96-D98 VanDerWaalsContact C-N 3.27Å; N96-D98 PolarHBondContact ND2-OD2 3.42Å; N96-D98 PolarHBondContact O-N 3.23Å; N96-D98 VanDerWaalsContact OD1-CB 3.32Å; N96-D98 WeakPolarHBondContact OD1-CB 3.3Å; N96-D98 PolarHBondContact OD1-N 2.64Å; N96-D98 PolarHBondContact OD1-OD2 2.85Å; N96-D98 VanDerWaalsContact OD1-OD2 3.13Å; D98-M100 PolarHBondContact O-N 3.38Å; D98-V101 PolarHBondContact O-N 3.05Å; D98-Q102 VanDerWaalsContact O-CB 3.31Å; D98-Q102 WeakPolarHBondContact O-CB 3.49Å; D98-Q102 WeakPolarHBondContact O-CG 3.17Å; D98-Q102 PolarHBondContact O-N 3.31Å |
| 99 | F | 72.7 | Confident | 73.9 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | -179.3 | 179.6 | -111.9 | 0 | 0 | 0 | 112.9 | I86 W89 Y90 P97 Q102 L103 L291 F294 | I86-F99 HydrophobicContact CG2-CE1 4.47Å; W89-F99 HydrophobicContact CH2-CE1 4.42Å; Y90-F99 AromaticContact CD2-CD1 3.78Å; Y90-F99 HydrophobicContact CD2-CD1 3.78Å; Y90-F99 HydrophobicContact CD2-CE1 4.3Å; Y90-F99 HydrophobicContact CE2-CB 3.83Å; Y90-F99 AromaticContact CE2-CD1 3.48Å; Y90-F99 HydrophobicContact CE2-CD1 3.48Å; Y90-F99 VanDerWaalsContact CE2-CD1 3.48Å; Y90-F99 HydrophobicContact CE2-CE1 4.34Å; Y90-F99 AromaticContact CE2-CG 3.92Å; Y90-F99 HydrophobicContact CE2-CG 3.92Å; Y90-F99 HydrophobicContact CG-CD1 4.5Å; Y90-F99 AromaticContact CZ-CD1 4Å; Y90-F99 VanDerWaalsContact OH-CB 3.29Å; Y90-F99 WeakPolarHBondContact OH-CB 3.42Å; P97-F99 VanDerWaalsContact C-N 3.3Å; P97-F99 PolarHBondContact O-N 3.42Å; P97-F99 VanDerWaalsContact O-N 3.12Å; F99-Q102 PolarHBondContact O-N 3.22Å; F99-L103 HydrophobicContact CE1-CD2 4.5Å; F99-L103 VanDerWaalsContact O-CB 3.24Å; F99-L103 WeakPolarHBondContact O-CB 3.31Å; F99-L103 PolarHBondContact O-N 2.82Å; F99-L291 HydrophobicContact CE2-CD1 3.98Å; F99-L291 HydrophobicContact CZ-CD1 4.5Å; F99-F294 HydrophobicContact CE1-CE1 4.02Å; F99-F294 HydrophobicContact CE1-CZ 4.43Å; F99-F294 HydrophobicContact CZ-CD1 4.01Å; F99-F294 AromaticContact CZ-CE1 3.58Å; F99-F294 HydrophobicContact CZ-CE1 3.58Å; F99-F294 HydrophobicContact CZ-CZ 4.33Å |
| 100 | M | 76.2 | Confident | 74.1 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 20% | 0.202 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69 | -37.3 | 179.2 | -64.6 | 179.1 | 70.3 | 0 | 0 | 111.1 | L82 I86 E87 Y90 P97 D98 K104 | L82-M100 HydrophobicContact CB-CE 4.47Å; I86-M100 HydrophobicContact CG2-CG 4.31Å; E87-M100 HydrophobicContact CB-CE 3.91Å; E87-M100 HydrophobicContact CG-CE 4.11Å; Y90-M100 HydrophobicContact CD1-CG 3.91Å; Y90-M100 HydrophobicContact CD1-SD 3.74Å; Y90-M100 HydrophobicContact CE1-CG 3.98Å; Y90-M100 HydrophobicContact CE1-SD 4.12Å; P97-M100 PolarHBondContact O-N 3.12Å; D98-M100 PolarHBondContact O-N 3.38Å; M100-K104 WeakPolarHBondContact O-CB 3.42Å; M100-K104 PolarHBondContact O-N 3.39Å |
| 101 | V | 75.9 | Confident | 74.4 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 47% | 0.473 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.5 | -46 | 175.1 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | P97 D98 L103 K104 M105 | P97-V101 HydrophobicContact CB-CG2 4.42Å; P97-V101 PolarHBondContact O-N 3.08Å; D98-V101 PolarHBondContact O-N 3.05Å; V101-L103 VanDerWaalsContact C-N 3.35Å; V101-L103 PolarHBondContact O-N 3.27Å; V101-K104 PolarHBondContact O-N 3.13Å; V101-M105 HydrophobicContact CG1-CE 4.32Å; V101-M105 WeakPolarHBondContact O-CG 3.37Å; V101-M105 PolarHBondContact O-N 2.93Å |
| 102 | Q | 70.6 | Confident | 74.5 | Confident | 75 Ų | 75 | 50.8 Ų | 50.8 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.9 | -73.3 | 171.7 | 30.3 | 0 | 0 | 112.1 | D98 F99 M105 F106 F278 | D98-Q102 VanDerWaalsContact O-CB 3.31Å; D98-Q102 WeakPolarHBondContact O-CB 3.49Å; D98-Q102 WeakPolarHBondContact O-CG 3.17Å; D98-Q102 PolarHBondContact O-N 3.31Å; F99-Q102 PolarHBondContact O-N 3.22Å; Q102-M105 HydrophobicContact CG-CE 4.18Å; Q102-M105 PolarHBondContact O-N 3.34Å; Q102-F106 PolarHBondContact O-N 2.74Å; Q102-F278 HydrophobicContact CB-CE2 3.71Å; Q102-F278 HydrophobicContact CB-CZ 3.61Å; Q102-F278 HydrophobicContact CG-CD2 4.14Å; Q102-F278 HydrophobicContact CG-CE2 3.46Å; Q102-F278 VanDerWaalsContact CG-CE2 3.46Å; Q102-F278 HydrophobicContact CG-CZ 3.86Å |
| 103 | L | 77.3 | Confident | 74.6 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 175.3 | -177 | 55.1 | 0 | 0 | 0 | 112 | L82 I86 F99 V101 F106 L107 F294 L295 | L82-L103 HydrophobicContact CD2-CB 4.41Å; L82-L103 HydrophobicContact CD2-CD2 4.03Å; L82-L103 HydrophobicContact CD2-CG 4.09Å; I86-L103 HydrophobicContact CD1-CD2 3.68Å; I86-L103 HydrophobicContact CG1-CD2 4.26Å; F99-L103 HydrophobicContact CE1-CD2 4.5Å; F99-L103 VanDerWaalsContact O-CB 3.24Å; F99-L103 WeakPolarHBondContact O-CB 3.31Å; F99-L103 PolarHBondContact O-N 2.82Å; V101-L103 VanDerWaalsContact C-N 3.35Å; V101-L103 PolarHBondContact O-N 3.27Å; L103-F106 PolarHBondContact O-N 3.33Å; L103-L107 HydrophobicContact CD1-CD1 4.49Å; L103-L107 HydrophobicContact CD1-CG 4.41Å; L103-L107 HydrophobicContact CG-CD1 4.36Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 3.38Å; L103-F294 HydrophobicContact CD2-CE1 4.47Å; L103-L295 HydrophobicContact CD1-CD2 3.46Å; L103-L295 VanDerWaalsContact CD1-CD2 3.46Å |
| 104 | K | 78.5 | Confident | 75.1 | Confident | 45 Ų | 45 | 45 Ų | 45 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 174 | -166.7 | 170 | -175.2 | 172.5 | 0 | 111.6 | D79 L82 M100 V101 F106 L107 Q108 | D79-K104 IonicContact OD1-NZ 3.71Å; D79-K104 PolarHBondContact OD1-NZ 3.23Å; D79-K104 IonicContact OD2-NZ 2.66Å; D79-K104 PolarHBondContact OD2-NZ 3.31Å; L82-K104 HydrophobicContact CD1-CB 3.78Å; L82-K104 HydrophobicContact CD1-CD 3.86Å; L82-K104 HydrophobicContact CD1-CG 3.87Å; M100-K104 WeakPolarHBondContact O-CB 3.42Å; M100-K104 PolarHBondContact O-N 3.39Å; V101-K104 PolarHBondContact O-N 3.13Å; K104-F106 PolarHBondContact O-N 2.85Å; K104-L107 PolarHBondContact O-N 3.25Å; K104-Q108 HydrophobicContact CG-CG 4.41Å; K104-Q108 WeakPolarHBondContact O-CB 3.16Å; K104-Q108 VanDerWaalsContact O-CG 3.25Å; K104-Q108 WeakPolarHBondContact O-CG 3.39Å; K104-Q108 PolarHBondContact O-N 2.78Å |
| 105 | M | 72.6 | Confident | 75.1 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 32% | 0.315 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 176 | -70.7 | -171.7 | -60.8 | 0 | 0 | 112.1 | V101 Q102 Y109 F278 | V101-M105 HydrophobicContact CG1-CE 4.32Å; V101-M105 WeakPolarHBondContact O-CG 3.37Å; V101-M105 PolarHBondContact O-N 2.93Å; Q102-M105 HydrophobicContact CG-CE 4.18Å; Q102-M105 PolarHBondContact O-N 3.34Å; M105-Y109 VanDerWaalsContact O-CB 3.3Å; M105-Y109 WeakPolarHBondContact O-CB 3.38Å; M105-Y109 PolarHBondContact O-N 3.48Å; M105-F278 HydrophobicContact CB-CE1 4.46Å; M105-F278 HydrophobicContact CE-CD1 4.13Å; M105-F278 HydrophobicContact CE-CE1 4.23Å; M105-F278 HydrophobicContact CE-CG 4.38Å |
| 106 | F | 75.6 | Confident | 75.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 176.3 | 175.7 | -112.3 | 0 | 0 | 0 | 112.9 | Q102 L103 K104 Y109 S110 L214 F282 L295 | Q102-F106 PolarHBondContact O-N 2.74Å; L103-F106 PolarHBondContact O-N 3.33Å; K104-F106 PolarHBondContact O-N 2.85Å; F106-Y109 PolarHBondContact O-N 2.89Å; F106-S110 VanDerWaalsContact CE2-OG 3.31Å; F106-S110 WeakPolarHBondContact CE2-OG 3.44Å; F106-S110 VanDerWaalsContact CZ-OG 3.25Å; F106-S110 WeakPolarHBondContact CZ-OG 3.45Å; F106-S110 WeakPolarHBondContact O-CB 3.47Å; F106-S110 PolarHBondContact O-N 3.25Å; F106-S110 PolarHBondContact O-OG 2.85Å; F106-L214 HydrophobicContact CE1-CD1 3.86Å; F106-L214 HydrophobicContact CZ-CD1 3.68Å; F106-F282 HydrophobicContact CB-CE1 4.1Å; F106-F282 HydrophobicContact CB-CE2 4.28Å; F106-F282 HydrophobicContact CB-CZ 3.78Å; F106-F282 AromaticContact CD1-CE1 3.93Å; F106-F282 HydrophobicContact CD1-CE1 3.93Å; F106-F282 AromaticContact CD1-CZ 3.82Å; F106-F282 HydrophobicContact CD1-CZ 3.82Å; F106-F282 AromaticContact CD2-CD1 3.73Å; F106-F282 HydrophobicContact CD2-CD1 3.73Å; F106-F282 AromaticContact CD2-CE1 3.15Å; F106-F282 HydrophobicContact CD2-CE1 3.15Å; F106-F282 AromaticContact CD2-CZ 3.73Å; F106-F282 HydrophobicContact CD2-CZ 3.73Å; F106-F282 HydrophobicContact CE1-CE1 4.16Å; F106-F282 HydrophobicContact CE1-CZ 4.38Å; F106-F282 HydrophobicContact CE2-CD1 4.06Å; F106-F282 AromaticContact CE2-CE1 3.44Å; F106-F282 HydrophobicContact CE2-CE1 3.44Å; F106-F282 VanDerWaalsContact CE2-CE1 3.44Å; F106-F282 HydrophobicContact CE2-CZ 4.3Å; F106-F282 HydrophobicContact CG-CD1 4.31Å; F106-F282 AromaticContact CG-CE1 3.42Å; F106-F282 HydrophobicContact CG-CE1 3.42Å; F106-F282 VanDerWaalsContact CG-CE1 3.42Å; F106-F282 HydrophobicContact CG-CE2 4.39Å; F106-F282 AromaticContact CG-CZ 3.45Å; F106-F282 HydrophobicContact CG-CZ 3.45Å; F106-F282 VanDerWaalsContact CG-CZ 3.45Å; F106-F282 AromaticContact CZ-CE1 3.94Å; F106-F282 HydrophobicContact CZ-CE1 3.94Å; F106-L295 HydrophobicContact CD1-CD1 4.35Å; F106-L295 HydrophobicContact CD1-CD2 4.02Å; F106-L295 HydrophobicContact CE1-CD1 4.12Å; F106-L295 HydrophobicContact CE1-CD2 4.09Å |
| 107 | L | 78.4 | Confident | 75 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 176.1 | -70.6 | 171.9 | 0 | 0 | 0 | 111.7 | F78 L81 L103 K104 S110 C111 L299 | F78-L107 HydrophobicContact CD1-CB 4.09Å; F78-L107 HydrophobicContact CD1-CD1 4.38Å; F78-L107 HydrophobicContact CE1-CB 3.91Å; F78-L107 HydrophobicContact CZ-CB 4.31Å; L81-L107 HydrophobicContact CD1-CD1 4.34Å; L103-L107 HydrophobicContact CD1-CD1 4.49Å; L103-L107 HydrophobicContact CD1-CG 4.41Å; L103-L107 HydrophobicContact CG-CD1 4.36Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 3.38Å; K104-L107 PolarHBondContact O-N 3.25Å; L107-S110 PolarHBondContact O-N 2.8Å; L107-C111 PolarHBondContact O-N 3.49Å; L107-L299 HydrophobicContact CD2-CD2 4Å |
| 108 | Q | 77.4 | Confident | 74.9 | Confident | 54 Ų | 54 | 37 Ų | 37 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.9 | -73.7 | 171.2 | -21.7 | 0 | 0 | 111.8 | F78 K104 C111 A112 | F78-Q108 HydrophobicContact CD2-CG 3.95Å; F78-Q108 HydrophobicContact CE2-CB 4.44Å; F78-Q108 HydrophobicContact CE2-CG 3.71Å; K104-Q108 HydrophobicContact CG-CG 4.41Å; K104-Q108 WeakPolarHBondContact O-CB 3.16Å; K104-Q108 VanDerWaalsContact O-CG 3.25Å; K104-Q108 WeakPolarHBondContact O-CG 3.39Å; K104-Q108 PolarHBondContact O-N 2.78Å; Q108-C111 PolarHBondContact O-N 3.3Å; Q108-A112 WeakPolarHBondContact O-CB 3.43Å; Q108-A112 PolarHBondContact O-N 3.4Å |
| 109 | Y | 73.6 | Confident | 74.8 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 176.4 | -177.5 | -85 | 0 | 0 | 0 | 112.3 | F59 H61 M105 F106 C111 A112 V113 L217 P220 F279 | F59-Y109 AromaticContact CD1-CE2 3.71Å; F59-Y109 HydrophobicContact CD1-CE2 3.71Å; F59-Y109 AromaticContact CD1-CZ 3.91Å; F59-Y109 HydrophobicContact CE1-CE2 4.1Å; H61-Y109 HydrophobicContact CB-CD2 3.88Å; H61-Y109 HydrophobicContact CB-CE2 4.43Å; H61-Y109 AromaticContact CG-CD2 3.96Å; H61-Y109 AromaticContact ND1-CD2 3.95Å; M105-Y109 VanDerWaalsContact O-CB 3.3Å; M105-Y109 WeakPolarHBondContact O-CB 3.38Å; M105-Y109 PolarHBondContact O-N 3.48Å; F106-Y109 PolarHBondContact O-N 2.89Å; Y109-C111 VanDerWaalsContact C-N 3.3Å; Y109-C111 PolarHBondContact O-N 2.81Å; Y109-A112 CarbonylContact O-C 3.55Å; Y109-A112 WeakPolarHBondContact O-CA 3.2Å; Y109-A112 WeakPolarHBondContact O-CB 3.48Å; Y109-A112 PolarHBondContact O-N 3.38Å; Y109-V113 HydrophobicContact CD1-CG2 3.88Å; Y109-V113 HydrophobicContact CE1-CG2 3.56Å; Y109-V113 WeakPolarHBondContact O-CG2 3.25Å; Y109-V113 PolarHBondContact O-N 2.85Å; Y109-L217 WeakPolarHBondContact CE1-O 3.29Å; Y109-P220 WeakPolarHBondContact OH-CA 3.49Å; Y109-F279 VanDerWaalsContact CB-CZ 3.4Å; Y109-F279 HydrophobicContact CD1-CD1 4.31Å; Y109-F279 AromaticContact CD1-CE1 3.72Å; Y109-F279 HydrophobicContact CD1-CE1 3.72Å; Y109-F279 HydrophobicContact CD1-CZ 4.2Å; Y109-F279 HydrophobicContact CD2-CD1 4.16Å; Y109-F279 HydrophobicContact CD2-CD2 4.13Å; Y109-F279 AromaticContact CD2-CE1 3.6Å; Y109-F279 HydrophobicContact CD2-CE1 3.6Å; Y109-F279 AromaticContact CD2-CE2 3.58Å; Y109-F279 HydrophobicContact CD2-CE2 3.58Å; Y109-F279 HydrophobicContact CD2-CG 4.44Å; Y109-F279 AromaticContact CD2-CZ 3.32Å; Y109-F279 HydrophobicContact CD2-CZ 3.32Å; Y109-F279 HydrophobicContact CE1-CD1 4.32Å; Y109-F279 HydrophobicContact CE1-CE1 4.19Å; Y109-F279 HydrophobicContact CE2-CD1 4.15Å; Y109-F279 HydrophobicContact CE2-CD2 4.14Å; Y109-F279 HydrophobicContact CE2-CE1 4.06Å; Y109-F279 HydrophobicContact CE2-CE2 4.07Å; Y109-F279 HydrophobicContact CE2-CG 4.24Å; Y109-F279 HydrophobicContact CE2-CZ 4.06Å; Y109-F279 HydrophobicContact CG-CD1 4.23Å; Y109-F279 AromaticContact CG-CE1 3.4Å; Y109-F279 HydrophobicContact CG-CE1 3.4Å; Y109-F279 VanDerWaalsContact CG-CE1 3.4Å; Y109-F279 HydrophobicContact CG-CE2 4.15Å; Y109-F279 AromaticContact CG-CZ 3.39Å; Y109-F279 HydrophobicContact CG-CZ 3.39Å |
| 110 | S | 74.5 | Confident | 74.7 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | F106 L107 V113 I114 | F106-S110 VanDerWaalsContact CE2-OG 3.31Å; F106-S110 WeakPolarHBondContact CE2-OG 3.44Å; F106-S110 VanDerWaalsContact CZ-OG 3.25Å; F106-S110 WeakPolarHBondContact CZ-OG 3.45Å; F106-S110 WeakPolarHBondContact O-CB 3.47Å; F106-S110 PolarHBondContact O-N 3.25Å; F106-S110 PolarHBondContact O-OG 2.85Å; L107-S110 PolarHBondContact O-N 2.8Å; S110-V113 PolarHBondContact O-N 3.2Å; S110-I114 VanDerWaalsContact O-CG1 3.27Å; S110-I114 WeakPolarHBondContact O-CG1 3.3Å; S110-I114 PolarHBondContact O-N 3.33Å |
| 111 | C | 77.8 | Confident | 74.4 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.5 | -34.4 | 174.8 | -73 | 0 | 0 | 0 | 0 | 113 | L74 F78 L107 Q108 Y109 I114 V115 | L74-C111 HydrophobicContact CD2-CB 4.4Å; F78-C111 HydrophobicContact CZ-CB 4Å; L107-C111 PolarHBondContact O-N 3.49Å; Q108-C111 PolarHBondContact O-N 3.3Å; Y109-C111 VanDerWaalsContact C-N 3.3Å; Y109-C111 PolarHBondContact O-N 2.81Å; C111-I114 PolarHBondContact O-N 3.36Å; C111-V115 WeakPolarHBondContact O-CB 3.48Å; C111-V115 VanDerWaalsContact O-CG2 3.28Å; C111-V115 WeakPolarHBondContact O-CG2 3.33Å; C111-V115 PolarHBondContact O-N 3.06Å |
| 112 | A | 74.4 | Confident | 74.1 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -38 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H61 V64 Q108 Y109 Q116 | H61-A112 HydrophobicContact CB-CB 3.97Å; V64-A112 HydrophobicContact CB-CB 4.25Å; V64-A112 HydrophobicContact CG2-CB 4.21Å; Q108-A112 WeakPolarHBondContact O-CB 3.43Å; Q108-A112 PolarHBondContact O-N 3.4Å; Y109-A112 CarbonylContact O-C 3.55Å; Y109-A112 WeakPolarHBondContact O-CA 3.2Å; Y109-A112 WeakPolarHBondContact O-CB 3.48Å; Y109-A112 PolarHBondContact O-N 3.38Å; A112-Q116 VanDerWaalsContact O-CB 3.29Å; A112-Q116 WeakPolarHBondContact O-CB 3.5Å; A112-Q116 PolarHBondContact O-N 2.85Å |
| 113 | V | 74.7 | Confident | 74 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.4 | -43.9 | 173.2 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | F59 Y109 S110 Q116 R117 | F59-V113 HydrophobicContact CD1-CG2 4.37Å; F59-V113 HydrophobicContact CE1-CG2 3.72Å; F59-V113 HydrophobicContact CZ-CG2 4.32Å; Y109-V113 HydrophobicContact CD1-CG2 3.88Å; Y109-V113 HydrophobicContact CE1-CG2 3.56Å; Y109-V113 WeakPolarHBondContact O-CG2 3.25Å; Y109-V113 PolarHBondContact O-N 2.85Å; S110-V113 PolarHBondContact O-N 3.2Å; V113-Q116 PolarHBondContact O-N 3.16Å; V113-R117 WeakPolarHBondContact O-CB 3.44Å; V113-R117 VanDerWaalsContact O-CG 3.31Å; V113-R117 WeakPolarHBondContact O-CG 3.23Å; V113-R117 PolarHBondContact O-N 2.96Å |
| 114 | I | 77.9 | Confident | 73.4 | Confident | 57 Ų | 57 | 40.8 Ų | 40.8 | 29% | 0.292 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 174.7 | -69.2 | 162.3 | 0 | 0 | 0 | 110.6 | S110 C111 Q116 R117 V118 L217 F1445 | S110-I114 VanDerWaalsContact O-CG1 3.27Å; S110-I114 WeakPolarHBondContact O-CG1 3.3Å; S110-I114 PolarHBondContact O-N 3.33Å; C111-I114 PolarHBondContact O-N 3.36Å; I114-Q116 VanDerWaalsContact C-N 3.31Å; I114-Q116 PolarHBondContact O-N 2.97Å; I114-R117 PolarHBondContact O-N 2.87Å; I114-R117 VanDerWaalsContact O-N 3.14Å; I114-V118 HydrophobicContact CG2-CG2 4.33Å; I114-V118 WeakPolarHBondContact O-CG2 3.37Å; I114-V118 PolarHBondContact O-N 3.41Å; I114-L217 HydrophobicContact CD1-CD2 3.88Å; I114-L217 HydrophobicContact CG1-CD2 3.63Å; I114-F1445 HydrophobicContact CG1-CZ 4.29Å |
| 115 | V | 75 | Confident | 72.9 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 178.7 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | V64 I66 C111 V118 K119 | V64-V115 HydrophobicContact CG1-CB 4.15Å; V64-V115 HydrophobicContact CG1-CG1 3.69Å; I66-V115 HydrophobicContact CD1-CG1 4.34Å; I66-V115 HydrophobicContact CD1-CG2 3.99Å; I66-V115 HydrophobicContact CG1-CG1 4.13Å; C111-V115 WeakPolarHBondContact O-CB 3.48Å; C111-V115 VanDerWaalsContact O-CG2 3.28Å; C111-V115 WeakPolarHBondContact O-CG2 3.33Å; C111-V115 PolarHBondContact O-N 3.06Å; V115-V118 PolarHBondContact O-N 3.48Å; V115-K119 HydrophobicContact CG1-CD 4.4Å; V115-K119 WeakPolarHBondContact O-CB 3.47Å; V115-K119 VanDerWaalsContact O-CG 3.32Å; V115-K119 WeakPolarHBondContact O-CG 3.39Å; V115-K119 PolarHBondContact O-N 3.16Å |
| 116 | Q | 72.6 | Confident | 72.8 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -36.4 | 174 | -172 | 58.6 | 63.3 | 0 | 0 | 112.3 | F59 A112 V113 I114 K119 N120 P221 | F59-Q116 HydrophobicContact CE2-CG 4.31Å; F59-Q116 HydrophobicContact CZ-CB 4.48Å; A112-Q116 VanDerWaalsContact O-CB 3.29Å; A112-Q116 WeakPolarHBondContact O-CB 3.5Å; A112-Q116 PolarHBondContact O-N 2.85Å; V113-Q116 PolarHBondContact O-N 3.16Å; I114-Q116 VanDerWaalsContact C-N 3.31Å; I114-Q116 PolarHBondContact O-N 2.97Å; Q116-K119 PolarHBondContact O-N 2.81Å; Q116-N120 PolarHBondContact NE2-OD1 2.85Å; Q116-N120 PolarHBondContact O-N 3.42Å; Q116-N120 PolarHBondContact O-OD1 3.38Å; Q116-N120 VanDerWaalsContact O-OD1 3.09Å; Q116-P221 HydrophobicContact CG-CG 4.46Å |
| 117 | R | 72.3 | Confident | 72.5 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 173.3 | -73.2 | 167.1 | 176.7 | -88.7 | 0.8 | 111.3 | V113 I114 K119 N120 I121 V216 L1444 F1445 E1447 | V113-R117 WeakPolarHBondContact O-CB 3.44Å; V113-R117 VanDerWaalsContact O-CG 3.31Å; V113-R117 WeakPolarHBondContact O-CG 3.23Å; V113-R117 PolarHBondContact O-N 2.96Å; I114-R117 PolarHBondContact O-N 2.87Å; I114-R117 VanDerWaalsContact O-N 3.14Å; R117-K119 PolarHBondContact O-N 3.36Å; R117-N120 WeakPolarHBondContact O-CB 3.41Å; R117-N120 PolarHBondContact O-N 2.85Å; R117-I121 WeakPolarHBondContact O-CG1 3.18Å; R117-I121 PolarHBondContact O-N 2.83Å; R117-V216 VanDerWaalsContact NH2-CG1 3.35Å; R117-L1444 HydrophobicContact CB-CD2 3.86Å; R117-L1444 WeakPolarHBondContact CD-O 3.43Å; R117-L1444 PolarHBondContact NH1-O 2.82Å; R117-F1445 VanDerWaalsContact CD-CE1 3.46Å; R117-E1447 IonicContact CZ-OE1 3.65Å; R117-E1447 IonicContact NH1-OE1 3.54Å; R117-E1447 PolarHBondContact NH1-OE1 2.61Å; R117-E1447 IonicContact NH2-OE1 3.17Å; R117-E1447 PolarHBondContact NH2-OE1 3.18Å; R117-E1447 IonicContact NH2-OE2 2.66Å; R117-E1447 PolarHBondContact NH2-OE2 2.8Å |
| 118 | V | 73.5 | Confident | 71.9 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 28% | 0.279 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.9 | -45 | 172.5 | 172 | 0 | 0 | 0 | 0 | 111.2 | I114 V115 N120 I121 L123 L1444 | I114-V118 HydrophobicContact CG2-CG2 4.33Å; I114-V118 WeakPolarHBondContact O-CG2 3.37Å; I114-V118 PolarHBondContact O-N 3.41Å; V115-V118 PolarHBondContact O-N 3.48Å; V118-N120 PolarHBondContact O-N 2.87Å; V118-I121 PolarHBondContact O-N 3.08Å; V118-I121 VanDerWaalsContact O-N 3.11Å; V118-L123 HydrophobicContact CG1-CD1 4.05Å; V118-L123 HydrophobicContact CG1-CD2 4.38Å; V118-L1444 HydrophobicContact CB-CD2 4.4Å; V118-L1444 HydrophobicContact CG2-CD2 3.58Å |
| 119 | K | 69.3 | Low | 71.4 | Confident | 69 Ų | 69 | 45.4 Ų | 45.4 | 30% | 0.3 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.6 | 176.3 | -76.4 | -177.2 | -178.4 | -170.5 | 0 | 114.5 | T65 V115 Q116 R117 | T65-K119 PolarHBondContact O-NZ 3.25Å; V115-K119 HydrophobicContact CG1-CD 4.4Å; V115-K119 WeakPolarHBondContact O-CB 3.47Å; V115-K119 VanDerWaalsContact O-CG 3.32Å; V115-K119 WeakPolarHBondContact O-CG 3.39Å; V115-K119 PolarHBondContact O-N 3.16Å; Q116-K119 PolarHBondContact O-N 2.81Å; R117-K119 PolarHBondContact O-N 3.36Å |
| 120 | N | 70.5 | Confident | 71.3 | Confident | 113 Ų | 113 | 48.2 Ų | 48.2 | 60% | 0.604 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.4 | 176.2 | -65.6 | -3.1 | 0 | 0 | 0 | 112.7 | Q116 R117 V118 | Q116-N120 PolarHBondContact NE2-OD1 2.85Å; Q116-N120 PolarHBondContact O-N 3.42Å; Q116-N120 PolarHBondContact O-OD1 3.38Å; Q116-N120 VanDerWaalsContact O-OD1 3.09Å; R117-N120 WeakPolarHBondContact O-CB 3.41Å; R117-N120 PolarHBondContact O-N 2.85Å; V118-N120 PolarHBondContact O-N 2.87Å |
| 121 | I | 70.6 | Confident | 71.3 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 18% | 0.179 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -107.5 | 133.1 | 179.9 | -65.7 | 165.7 | 0 | 0 | 0 | 109.4 | R117 V118 L123 F126 E1443 L1444 | R117-I121 WeakPolarHBondContact O-CG1 3.18Å; R117-I121 PolarHBondContact O-N 2.83Å; V118-I121 PolarHBondContact O-N 3.08Å; V118-I121 VanDerWaalsContact O-N 3.11Å; I121-L123 VanDerWaalsContact C-N 3.28Å; I121-L123 PolarHBondContact O-N 2.95Å; I121-F126 HydrophobicContact CG2-CB 4.34Å; I121-E1443 HydrophobicContact CD1-CB 4.12Å; I121-E1443 HydrophobicContact CD1-CG 4.12Å; I121-E1443 WeakPolarHBondContact CD1-O 3.45Å; I121-E1443 HydrophobicContact CG1-CG 4.42Å; I121-E1443 HydrophobicContact CG2-CG 4.09Å; I121-L1444 HydrophobicContact CD1-CD2 3.59Å; I121-L1444 HydrophobicContact CD1-CG 3.99Å |
| 122 | D | 69.1 | Low | 71 | Confident | 116 Ų | 116 | 50.2 Ų | 50.2 | 62% | 0.62 | 26% | 0.255 | S | S | * | . | trans | -71.5 | 85.8 | 167.6 | -72.4 | -57.5 | 0 | 0 | 0 | 109.8 | S124 E125 F126 | D122-S124 PolarHBondContact O-N 3.06Å; D122-S124 VanDerWaalsContact O-N 3.1Å; D122-E125 HydrophobicContact CB-CB 4.24Å; D122-E125 PolarHBondContact O-N 3.16Å; D122-F126 PolarHBondContact O-N 3.35Å | ||
| 123 | L | 67.9 | Low | 70.8 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -51.8 | -31.2 | 179.4 | -76.4 | 165.8 | 0 | 0 | 0 | 113.1 | V118 I121 I127 F1354 | V118-L123 HydrophobicContact CG1-CD1 4.05Å; V118-L123 HydrophobicContact CG1-CD2 4.38Å; I121-L123 VanDerWaalsContact C-N 3.28Å; I121-L123 PolarHBondContact O-N 2.95Å; L123-I127 WeakPolarHBondContact O-CB 3.44Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 3.14Å; L123-F1354 HydrophobicContact CD1-CE2 4.43Å |
| 124 | S | 65.9 | Low | 70.7 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.3 | -54.2 | 171.2 | 45.4 | 0 | 0 | 0 | 0 | 112 | D122 I127 I128 | D122-S124 PolarHBondContact O-N 3.06Å; D122-S124 VanDerWaalsContact O-N 3.1Å; S124-I127 PolarHBondContact O-N 3.06Å; S124-I128 WeakPolarHBondContact O-CB 3.25Å; S124-I128 WeakPolarHBondContact O-CD1 3.48Å; S124-I128 WeakPolarHBondContact O-CG1 3.38Å; S124-I128 PolarHBondContact O-N 3.23Å |
| 125 | E | 67.7 | Low | 70.6 | Confident | 116 Ų | 116 | 53.3 Ų | 53.3 | 54% | 0.542 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 179 | -163.6 | -172.9 | 154.3 | 0 | 0 | 111 | D122 I127 I128 N129 | D122-E125 HydrophobicContact CB-CB 4.24Å; D122-E125 PolarHBondContact O-N 3.16Å; E125-I127 VanDerWaalsContact C-N 3.3Å; E125-I127 PolarHBondContact O-N 3.21Å; E125-I128 PolarHBondContact O-N 3.1Å; E125-N129 HydrophobicContact CG-CB 4.36Å; E125-N129 WeakPolarHBondContact CG-ND2 3.48Å; E125-N129 VanDerWaalsContact O-CB 3.3Å; E125-N129 WeakPolarHBondContact O-CB 3.33Å; E125-N129 PolarHBondContact O-N 3.4Å; E125-N129 PolarHBondContact OE1-ND2 3.41Å |
| 126 | F | 70.8 | Confident | 70.4 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.2 | -44.5 | 176.1 | 177.4 | -93.8 | 0 | 0 | 0 | 112.1 | I121 D122 R130 F131 Q1439 L1440 E1443 | I121-F126 HydrophobicContact CG2-CB 4.34Å; D122-F126 PolarHBondContact O-N 3.35Å; F126-R130 HydrophobicContact CD2-CB 4.42Å; F126-R130 HydrophobicContact CE2-CB 4.36Å; F126-R130 WeakPolarHBondContact O-CA 3.36Å; F126-R130 VanDerWaalsContact O-CB 3.25Å; F126-R130 WeakPolarHBondContact O-CB 3.35Å; F126-R130 PolarHBondContact O-N 3.07Å; F126-F131 PolarHBondContact O-N 3.2Å; F126-F131 VanDerWaalsContact O-N 3.09Å; F126-Q1439 HydrophobicContact CE2-CB 4.24Å; F126-Q1439 HydrophobicContact CZ-CB 4.14Å; F126-L1440 HydrophobicContact CZ-CB 3.85Å; F126-E1443 HydrophobicContact CD2-CB 3.97Å; F126-E1443 HydrophobicContact CD2-CG 3.88Å; F126-E1443 HydrophobicContact CE2-CB 4.07Å; F126-E1443 HydrophobicContact CE2-CG 4.46Å |
| 127 | I | 68.9 | Low | 70.3 | Confident | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.138 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -70.7 | -45.6 | -178.8 | -70.9 | 170.6 | 0 | 0 | 0 | 110.8 | L123 S124 E125 F131 I132 I1350 | L123-I127 WeakPolarHBondContact O-CB 3.44Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 3.14Å; S124-I127 PolarHBondContact O-N 3.06Å; E125-I127 VanDerWaalsContact C-N 3.3Å; E125-I127 PolarHBondContact O-N 3.21Å; I127-F131 HydrophobicContact CB-CB 4.32Å; I127-F131 HydrophobicContact CG1-CB 4.34Å; I127-F131 HydrophobicContact CG2-CB 4.23Å; I127-F131 WeakPolarHBondContact O-CB 3.45Å; I127-F131 PolarHBondContact O-N 3.07Å; I127-I132 HydrophobicContact CG2-CD1 4.03Å; I127-I132 HydrophobicContact CG2-CG1 4.03Å; I127-I132 WeakPolarHBondContact O-CG1 3.37Å; I127-I132 PolarHBondContact O-N 3.09Å; I127-I1350 HydrophobicContact CB-CD1 3.89Å; I127-I1350 HydrophobicContact CD1-CD1 3.63Å; I127-I1350 HydrophobicContact CD1-CG1 3.71Å; I127-I1350 HydrophobicContact CD1-CG2 4.18Å; I127-I1350 HydrophobicContact CG1-CD1 4.33Å; I127-I1350 HydrophobicContact CG2-CD1 3.86Å |
| 128 | I | 65.3 | Low | 70.5 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -70.6 | -47.2 | -176.8 | -65.1 | 165.4 | 0 | 0 | 0 | 112 | S124 E125 I132 P133 L1106 T1343 I1347 | S124-I128 WeakPolarHBondContact O-CB 3.25Å; S124-I128 WeakPolarHBondContact O-CD1 3.48Å; S124-I128 WeakPolarHBondContact O-CG1 3.38Å; S124-I128 PolarHBondContact O-N 3.23Å; E125-I128 PolarHBondContact O-N 3.1Å; I128-I132 HydrophobicContact CG1-CD1 4.5Å; I128-P133 VanDerWaalsContact O-CD 3.26Å; I128-P133 WeakPolarHBondContact O-CD 3.47Å; I128-L1106 HydrophobicContact CG2-CD1 4.12Å; I128-T1343 HydrophobicContact CD1-CG2 3.64Å; I128-I1347 HydrophobicContact CD1-CG1 4.42Å |
| 129 | N | 66.8 | Low | 70.5 | Confident | 92 Ų | 92 | 52.6 Ų | 52.6 | 49% | 0.492 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -86.1 | -16.7 | -174 | -67.1 | -7.7 | 0 | 0 | 0 | 113.4 | E125 | E125-N129 HydrophobicContact CG-CB 4.36Å; E125-N129 WeakPolarHBondContact CG-ND2 3.48Å; E125-N129 VanDerWaalsContact O-CB 3.3Å; E125-N129 WeakPolarHBondContact O-CB 3.33Å; E125-N129 PolarHBondContact O-N 3.4Å; E125-N129 PolarHBondContact OE1-ND2 3.41Å |
| 130 | R | 71.7 | Confident | 70.5 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -127.5 | -56.4 | -177 | -50.3 | -172.1 | 179.1 | -158.8 | 10.3 | 114.4 | F126 H134 E1443 | F126-R130 HydrophobicContact CD2-CB 4.42Å; F126-R130 HydrophobicContact CE2-CB 4.36Å; F126-R130 WeakPolarHBondContact O-CA 3.36Å; F126-R130 VanDerWaalsContact O-CB 3.25Å; F126-R130 WeakPolarHBondContact O-CB 3.35Å; F126-R130 PolarHBondContact O-N 3.07Å; R130-H134 PolarHBondContact O-N 3.5Å; R130-H134 PolarHBondContact O-ND1 3.04Å; R130-E1443 IonicContact CZ-OE1 3.51Å; R130-E1443 IonicContact CZ-OE2 3.78Å; R130-E1443 IonicContact NE-OE1 3.75Å; R130-E1443 PolarHBondContact NE-OE1 3.18Å; R130-E1443 IonicContact NE-OE2 3.87Å; R130-E1443 IonicContact NH1-OE1 3.78Å; R130-E1443 IonicContact NH1-OE2 2.67Å; R130-E1443 PolarHBondContact NH1-OE2 2.9Å; R130-E1443 IonicContact NH2-OE1 2.79Å; R130-E1443 PolarHBondContact NH2-OE1 3.22Å; R130-E1443 IonicContact NH2-OE2 2.67Å; R130-E1443 PolarHBondContact NH2-OE2 2.79Å |
| 131 | F | 75 | Confident | 70.5 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -59.8 | -53.4 | -176.5 | -179.4 | -76.7 | 0 | 0 | 0 | 111.1 | F126 I127 H134 F135 L1436 | F126-F131 PolarHBondContact O-N 3.2Å; F126-F131 VanDerWaalsContact O-N 3.09Å; I127-F131 HydrophobicContact CB-CB 4.32Å; I127-F131 HydrophobicContact CG1-CB 4.34Å; I127-F131 HydrophobicContact CG2-CB 4.23Å; I127-F131 WeakPolarHBondContact O-CB 3.45Å; I127-F131 PolarHBondContact O-N 3.07Å; F131-H134 PolarHBondContact O-N 2.96Å; F131-F135 HydrophobicContact CD1-CB 4.34Å; F131-F135 HydrophobicContact CE1-CB 4.2Å; F131-F135 HydrophobicContact CE1-CD2 4.36Å; F131-F135 HydrophobicContact CE1-CG 4.36Å; F131-F135 WeakPolarHBondContact O-CB 3.17Å; F131-F135 PolarHBondContact O-N 2.89Å; F131-L1436 HydrophobicContact CB-CD2 4.26Å; F131-L1436 HydrophobicContact CD2-CD1 3.85Å; F131-L1436 HydrophobicContact CD2-CD2 3.61Å; F131-L1436 HydrophobicContact CD2-CG 4.31Å; F131-L1436 HydrophobicContact CE2-CD1 3.48Å; F131-L1436 VanDerWaalsContact CE2-CD1 3.48Å; F131-L1436 HydrophobicContact CE2-CD2 4.15Å; F131-L1436 HydrophobicContact CE2-CG 4.41Å; F131-L1436 HydrophobicContact CG-CD2 3.96Å; F131-L1436 HydrophobicContact CZ-CD1 4.04Å |
| 132 | I | 70.6 | Confident | 70.5 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -47.7 | -170.8 | -66.9 | 176.4 | 0 | 0 | 0 | 112.1 | I127 I128 H134 F135 F136 L1106 M1109 M1346 | I127-I132 HydrophobicContact CG2-CD1 4.03Å; I127-I132 HydrophobicContact CG2-CG1 4.03Å; I127-I132 WeakPolarHBondContact O-CG1 3.37Å; I127-I132 PolarHBondContact O-N 3.09Å; I128-I132 HydrophobicContact CG1-CD1 4.5Å; I132-H134 VanDerWaalsContact C-N 3.33Å; I132-H134 PolarHBondContact O-N 2.92Å; I132-F135 WeakPolarHBondContact O-CB 3.11Å; I132-F135 PolarHBondContact O-N 3.33Å; I132-F136 HydrophobicContact CG2-CD2 3.6Å; I132-F136 HydrophobicContact CG2-CE2 3.68Å; I132-F136 WeakPolarHBondContact O-CD2 3.34Å; I132-F136 PolarHBondContact O-N 3.04Å; I132-L1106 HydrophobicContact CD1-CD2 4.13Å; I132-L1106 HydrophobicContact CG2-CD2 3.76Å; I132-M1109 HydrophobicContact CG2-CE 3.96Å; I132-M1109 HydrophobicContact CG2-SD 3.65Å; I132-M1346 HydrophobicContact CD1-CE 3.96Å; I132-M1346 HydrophobicContact CD1-CG 4.38Å |
| 133 | P | 71.5 | Confident | 70.4 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 22% | 0.221 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.9 | -39.6 | 174.4 | -28 | 35.2 | 0 | 0 | 0 | 114.1 | I128 F136 D137 M1109 | I128-P133 VanDerWaalsContact O-CD 3.26Å; I128-P133 WeakPolarHBondContact O-CD 3.47Å; P133-F136 PolarHBondContact O-N 2.94Å; P133-D137 WeakPolarHBondContact O-CB 3.41Å; P133-D137 PolarHBondContact O-N 3.12Å; P133-M1109 HydrophobicContact CG-CE 3.97Å |
| 134 | H | 71.8 | Confident | 70.4 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.5 | -34.5 | 178.3 | -72.3 | 77.9 | 0 | 0 | 0 | 112.6 | R130 F131 I132 H138 I1435 L1436 Q1439 | R130-H134 PolarHBondContact O-N 3.5Å; R130-H134 PolarHBondContact O-ND1 3.04Å; F131-H134 PolarHBondContact O-N 2.96Å; I132-H134 VanDerWaalsContact C-N 3.33Å; I132-H134 PolarHBondContact O-N 2.92Å; H134-H138 WeakPolarHBondContact O-CB 3.4Å; H134-H138 PolarHBondContact O-N 2.87Å; H134-H138 VanDerWaalsContact O-N 3.16Å; H134-I1435 HydrophobicContact CB-CG2 4.13Å; H134-L1436 HydrophobicContact CB-CD2 4.37Å; H134-Q1439 PolarHBondContact CE1-NE2 3.2Å; H134-Q1439 PolarHBondContact NE2-NE2 3.22Å |
| 135 | F | 76.9 | Confident | 70.3 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 21% | 0.211 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 172.9 | 177.9 | -99.2 | 0 | 0 | 0 | 111.3 | F131 I132 I139 L1423 L1432 | F131-F135 HydrophobicContact CD1-CB 4.34Å; F131-F135 HydrophobicContact CE1-CB 4.2Å; F131-F135 HydrophobicContact CE1-CD2 4.36Å; F131-F135 HydrophobicContact CE1-CG 4.36Å; F131-F135 WeakPolarHBondContact O-CB 3.17Å; F131-F135 PolarHBondContact O-N 2.89Å; I132-F135 WeakPolarHBondContact O-CB 3.11Å; I132-F135 PolarHBondContact O-N 3.33Å; F135-I139 HydrophobicContact CD1-CD1 3.91Å; F135-I139 HydrophobicContact CE1-CD1 3.38Å; F135-I139 HydrophobicContact CE2-CD1 4.18Å; F135-I139 HydrophobicContact CZ-CD1 3.54Å; F135-I139 WeakPolarHBondContact O-CG1 3.49Å; F135-I139 PolarHBondContact O-N 2.81Å; F135-I139 VanDerWaalsContact O-N 3.15Å; F135-L1423 HydrophobicContact CE2-CD2 4.13Å; F135-L1423 HydrophobicContact CZ-CD2 4.34Å; F135-L1432 HydrophobicContact CD2-CD1 4.31Å; F135-L1432 HydrophobicContact CD2-CD2 3.72Å; F135-L1432 HydrophobicContact CE2-CD2 4.05Å |
| 136 | F | 70.3 | Confident | 70 | Confident | 47 Ų | 47 | 36.3 Ų | 36.3 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.2 | -41.2 | 179 | -80.3 | -66.5 | 0 | 0 | 0 | 113.4 | I132 P133 H138 I139 V140 M1109 F1113 | I132-F136 HydrophobicContact CG2-CD2 3.6Å; I132-F136 HydrophobicContact CG2-CE2 3.68Å; I132-F136 WeakPolarHBondContact O-CD2 3.34Å; I132-F136 PolarHBondContact O-N 3.04Å; P133-F136 PolarHBondContact O-N 2.94Å; F136-H138 VanDerWaalsContact C-N 3.27Å; F136-H138 PolarHBondContact O-N 3.05Å; F136-I139 PolarHBondContact O-N 3.05Å; F136-I139 VanDerWaalsContact O-N 3.15Å; F136-V140 WeakPolarHBondContact O-CB 3.19Å; F136-V140 VanDerWaalsContact O-CG2 3.24Å; F136-V140 WeakPolarHBondContact O-CG2 3.41Å; F136-V140 PolarHBondContact O-N 3.23Å; F136-M1109 HydrophobicContact CB-SD 4.15Å; F136-M1109 HydrophobicContact CD2-CB 4.35Å; F136-M1109 HydrophobicContact CD2-CG 4.27Å; F136-M1109 HydrophobicContact CD2-SD 3.32Å; F136-M1109 WeakPolarHBondContact CD2-SD 3.18Å; F136-M1109 HydrophobicContact CE2-CB 4.46Å; F136-M1109 HydrophobicContact CE2-SD 3.98Å; F136-M1109 HydrophobicContact CG-SD 4.02Å; F136-F1113 HydrophobicContact CD1-CD2 4.22Å; F136-F1113 AromaticContact CD1-CE2 3.41Å; F136-F1113 HydrophobicContact CD1-CE2 3.41Å; F136-F1113 VanDerWaalsContact CD1-CE2 3.41Å; F136-F1113 AromaticContact CD1-CZ 3.86Å; F136-F1113 HydrophobicContact CD1-CZ 3.86Å; F136-F1113 HydrophobicContact CE1-CD2 4.22Å; F136-F1113 AromaticContact CE1-CE2 3.71Å; F136-F1113 HydrophobicContact CE1-CE2 3.71Å; F136-F1113 HydrophobicContact CE1-CZ 4.04Å; F136-F1113 HydrophobicContact CG-CE2 4.46Å |
| 137 | D | 70.8 | Confident | 69.3 | Low | 78 Ų | 78 | 37.7 Ų | 37.7 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.9 | -44.5 | 172.4 | 179.4 | 60.1 | 0 | 0 | 0 | 111.2 | P133 I139 V140 H141 R191 | P133-D137 WeakPolarHBondContact O-CB 3.41Å; P133-D137 PolarHBondContact O-N 3.12Å; D137-I139 PolarHBondContact O-N 3.49Å; D137-V140 PolarHBondContact O-N 2.87Å; D137-H141 WeakPolarHBondContact O-CB 3.49Å; D137-H141 PolarHBondContact O-N 2.89Å; D137-R191 IonicContact OD1-NH1 3.97Å |
| 138 | H | 76.4 | Confident | 68.4 | Low | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 175.8 | -176.5 | -106.6 | 0 | 0 | 0 | 113 | H134 F136 I142 L1428 L1432 | H134-H138 WeakPolarHBondContact O-CB 3.4Å; H134-H138 PolarHBondContact O-N 2.87Å; H134-H138 VanDerWaalsContact O-N 3.16Å; F136-H138 VanDerWaalsContact C-N 3.27Å; F136-H138 PolarHBondContact O-N 3.05Å; H138-I142 WeakPolarHBondContact O-CD1 3.34Å; H138-I142 VanDerWaalsContact O-CG1 3.29Å; H138-I142 WeakPolarHBondContact O-CG1 3.34Å; H138-I142 PolarHBondContact O-N 3.41Å; H138-I142 VanDerWaalsContact O-N 3.13Å; H138-L1428 PolarHBondContact CE1-O 3.32Å; H138-L1428 PolarHBondContact NE2-O 3.45Å; H138-L1432 HydrophobicContact CB-CD1 4.34Å |
| 139 | I | 73.1 | Confident | 67.4 | Low | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 176.1 | -69.1 | 171.2 | 0 | 0 | 0 | 111.3 | F135 F136 D137 H141 I142 L143 F1113 I1419 | F135-I139 HydrophobicContact CD1-CD1 3.91Å; F135-I139 HydrophobicContact CE1-CD1 3.38Å; F135-I139 HydrophobicContact CE2-CD1 4.18Å; F135-I139 HydrophobicContact CZ-CD1 3.54Å; F135-I139 WeakPolarHBondContact O-CG1 3.49Å; F135-I139 PolarHBondContact O-N 2.81Å; F135-I139 VanDerWaalsContact O-N 3.15Å; F136-I139 PolarHBondContact O-N 3.05Å; F136-I139 VanDerWaalsContact O-N 3.15Å; D137-I139 PolarHBondContact O-N 3.49Å; I139-H141 VanDerWaalsContact C-N 3.28Å; I139-H141 PolarHBondContact O-N 3.49Å; I139-I142 PolarHBondContact O-N 2.87Å; I139-I142 VanDerWaalsContact O-N 3.17Å; I139-L143 HydrophobicContact CG2-CD1 3.79Å; I139-L143 HydrophobicContact CG2-CG 4.21Å; I139-L143 WeakPolarHBondContact O-CG 3.44Å; I139-L143 PolarHBondContact O-N 3.44Å; I139-F1113 HydrophobicContact CG2-CZ 3.95Å; I139-I1419 HydrophobicContact CD1-CG2 4.3Å |
| 140 | V | 69.8 | Low | 66 | Low | 20 Ų | 20 | 48.1 Ų | 48.1 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -35.6 | -178.9 | 172 | 0 | 0 | 0 | 0 | 111.5 | F136 D137 L143 S144 Y1112 F1113 | F136-V140 WeakPolarHBondContact O-CB 3.19Å; F136-V140 VanDerWaalsContact O-CG2 3.24Å; F136-V140 WeakPolarHBondContact O-CG2 3.41Å; F136-V140 PolarHBondContact O-N 3.23Å; D137-V140 PolarHBondContact O-N 2.87Å; V140-L143 PolarHBondContact O-N 3.08Å; V140-S144 PolarHBondContact O-N 3.03Å; V140-S144 PolarHBondContact O-OG 2.95Å; V140-S144 VanDerWaalsContact O-OG 3.05Å; V140-Y1112 HydrophobicContact CB-CE1 4.27Å; V140-Y1112 HydrophobicContact CG1-CE1 3.64Å; V140-Y1112 VanDerWaalsContact CG1-OH 3.23Å; V140-Y1112 WeakPolarHBondContact CG1-OH 3.39Å; V140-Y1112 HydrophobicContact CG2-CD1 4.1Å; V140-Y1112 HydrophobicContact CG2-CE1 3.53Å; V140-F1113 HydrophobicContact CG2-CE2 3.99Å; V140-F1113 HydrophobicContact CG2-CZ 4.31Å |
| 141 | H | 69.4 | Low | 64.4 | Low | 30 Ų | 30 | 51.4 Ų | 51.4 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 172.1 | -162.9 | -80.6 | 0 | 0 | 0 | 112 | D137 I139 L143 S144 L145 F188 | D137-H141 WeakPolarHBondContact O-CB 3.49Å; D137-H141 PolarHBondContact O-N 2.89Å; I139-H141 VanDerWaalsContact C-N 3.28Å; I139-H141 PolarHBondContact O-N 3.49Å; H141-L143 VanDerWaalsContact C-N 3.31Å; H141-L143 PolarHBondContact O-N 3.06Å; H141-S144 WeakPolarHBondContact CA-OG 3.32Å; H141-S144 PolarHBondContact O-N 3.43Å; H141-S144 PolarHBondContact O-OG 3.18Å; H141-L145 WeakPolarHBondContact O-CG 3.33Å; H141-L145 PolarHBondContact O-N 2.62Å; H141-L145 VanDerWaalsContact O-N 3.12Å; H141-F188 HydrophobicContact CB-CE1 4.3Å; H141-F188 AromaticContact CE1-CD1 3.62Å; H141-F188 AromaticContact CE1-CE1 3.9Å; H141-F188 AromaticContact CE1-CG 3.93Å; H141-F188 AromaticContact CG-CE1 3.87Å; H141-F188 AromaticContact ND1-CD1 3.55Å; H141-F188 AromaticContact ND1-CE1 3.32Å; H141-F188 VanDerWaalsContact ND1-CE1 3.32Å; H141-F188 WeakPolarHBondContact ND1-CE1 3.42Å; H141-F188 AromaticContact ND1-CZ 3.65Å |
| 142 | I | 70.6 | Confident | 62.8 | Low | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176 | -64 | 160 | 0 | 0 | 0 | 111.2 | H138 I139 T146 F188 C1422 L1428 | H138-I142 WeakPolarHBondContact O-CD1 3.34Å; H138-I142 VanDerWaalsContact O-CG1 3.29Å; H138-I142 WeakPolarHBondContact O-CG1 3.34Å; H138-I142 PolarHBondContact O-N 3.41Å; H138-I142 VanDerWaalsContact O-N 3.13Å; I139-I142 PolarHBondContact O-N 2.87Å; I139-I142 VanDerWaalsContact O-N 3.17Å; I142-T146 PolarHBondContact O-N 2.82Å; I142-T146 PolarHBondContact O-OG1 3.12Å; I142-F188 HydrophobicContact CG1-CE2 4.41Å; I142-F188 HydrophobicContact CG1-CZ 3.95Å; I142-C1422 HydrophobicContact CG2-CB 4.35Å; I142-C1422 VanDerWaalsContact CG2-SG 3.54Å; I142-L1428 HydrophobicContact CD1-CB 4.28Å; I142-L1428 HydrophobicContact CD1-CD1 3.84Å; I142-L1428 HydrophobicContact CD1-CG 4.46Å; I142-L1428 HydrophobicContact CG1-CD1 4.18Å; I142-L1428 HydrophobicContact CG2-CD1 4.33Å |
| 143 | L | 67 | Low | 61.2 | Low | 30 Ų | 30 | 58.2 Ų | 58.2 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 179.3 | -69.8 | 174.2 | 0 | 0 | 0 | 113 | I139 V140 H141 T146 S147 F1113 R1418 | I139-L143 HydrophobicContact CG2-CD1 3.79Å; I139-L143 HydrophobicContact CG2-CG 4.21Å; I139-L143 WeakPolarHBondContact O-CG 3.44Å; I139-L143 PolarHBondContact O-N 3.44Å; V140-L143 PolarHBondContact O-N 3.08Å; H141-L143 VanDerWaalsContact C-N 3.31Å; H141-L143 PolarHBondContact O-N 3.06Å; L143-T146 WeakPolarHBondContact O-CB 3.4Å; L143-T146 PolarHBondContact O-N 3.34Å; L143-S147 PolarHBondContact O-N 3.41Å; L143-S147 VanDerWaalsContact O-N 3.07Å; L143-F1113 HydrophobicContact CD1-CE1 4.25Å; L143-F1113 HydrophobicContact CD1-CZ 4.39Å; L143-R1418 HydrophobicContact CD2-CB 4.2Å |
| 144 | S | 67.7 | Low | 59.2 | Low | 27 Ų | 27 | 59.9 Ų | 59.9 | 19% | 0.189 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 174.5 | 45.4 | 0 | 0 | 0 | 0 | 112.3 | V140 H141 T146 S147 D148 | V140-S144 PolarHBondContact O-N 3.03Å; V140-S144 PolarHBondContact O-OG 2.95Å; V140-S144 VanDerWaalsContact O-OG 3.05Å; H141-S144 WeakPolarHBondContact CA-OG 3.32Å; H141-S144 PolarHBondContact O-N 3.43Å; H141-S144 PolarHBondContact O-OG 3.18Å; S144-T146 PolarHBondContact O-N 3.32Å; S144-S147 WeakPolarHBondContact CA-OG 3.4Å; S144-S147 PolarHBondContact O-N 3.13Å; S144-S147 VanDerWaalsContact O-N 3.09Å; S144-S147 PolarHBondContact O-OG 3.13Å; S144-D148 VanDerWaalsContact O-CG 3.32Å; S144-D148 PolarHBondContact O-N 2.58Å |
| 145 | L | 64.5 | Low | 57.3 | Low | 45 Ų | 45 | 63.3 Ų | 63.3 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.4 | -21.3 | 171.6 | -68.2 | -179.6 | 0 | 0 | 0 | 113.7 | H141 I184 A187 F188 | H141-L145 WeakPolarHBondContact O-CG 3.33Å; H141-L145 PolarHBondContact O-N 2.62Å; H141-L145 VanDerWaalsContact O-N 3.12Å; L145-I184 HydrophobicContact CD1-CG2 4.5Å; L145-A187 HydrophobicContact CD1-CB 3.86Å; L145-A187 HydrophobicContact CD2-CB 3.64Å; L145-A187 HydrophobicContact CG-CB 4.35Å; L145-F188 HydrophobicContact CD1-CD2 4.27Å; L145-F188 HydrophobicContact CD1-CE2 4.22Å |
| 146 | T | 61.5 | Low | 55.1 | Low | 34 Ų | 34 | 65.2 Ų | 65.2 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -89 | -32.1 | 176.8 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | I142 L143 S144 P175 L176 | I142-T146 PolarHBondContact O-N 2.82Å; I142-T146 PolarHBondContact O-OG1 3.12Å; L143-T146 WeakPolarHBondContact O-CB 3.4Å; L143-T146 PolarHBondContact O-N 3.34Å; S144-T146 PolarHBondContact O-N 3.32Å; T146-P175 HydrophobicContact CG2-CG 4.38Å; T146-L176 HydrophobicContact CG2-CD2 4.28Å; T146-L176 HydrophobicContact CG2-CG 4.49Å |
| 147 | S | 55 | Low | 53.2 | Low | 45 Ų | 45 | 70.4 Ų | 70.4 | 32% | 0.315 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.3 | -45 | 176.9 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | L143 S144 R149 L150 | L143-S147 PolarHBondContact O-N 3.41Å; L143-S147 VanDerWaalsContact O-N 3.07Å; S144-S147 WeakPolarHBondContact CA-OG 3.4Å; S144-S147 PolarHBondContact O-N 3.13Å; S144-S147 VanDerWaalsContact O-N 3.09Å; S144-S147 PolarHBondContact O-OG 3.13Å; S147-R149 VanDerWaalsContact C-N 3.27Å; S147-R149 PolarHBondContact O-N 3.01Å; S147-L150 PolarHBondContact O-N 2.85Å; S147-L150 VanDerWaalsContact O-N 3.07Å |
| 148 | D | 49.9 | Very low | 51.5 | Low | 91 Ų | 91 | 74.2 Ų | 74.2 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74 | -23.1 | -161.2 | -60 | 0.2 | 0 | 0 | 0 | 112.4 | S144 L150 N151 T152 | S144-D148 VanDerWaalsContact O-CG 3.32Å; S144-D148 PolarHBondContact O-N 2.58Å; D148-L150 VanDerWaalsContact C-N 3.34Å; D148-N151 PolarHBondContact O-N 3.41Å; D148-T152 WeakPolarHBondContact O-CG2 3.36Å; D148-T152 PolarHBondContact O-N 3.48Å; D148-T152 PolarHBondContact O-OG1 2.87Å |
| 149 | R | 45.7 | Very low | 49.5 | Very low | 148 Ų | 148 | 81.9 Ų | 81.9 | 56% | 0.558 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -75.1 | -15.8 | 174.1 | -74.1 | -166.5 | 173.2 | -154.1 | -1.5 | 114.8 | S147 T152 | S147-R149 VanDerWaalsContact C-N 3.27Å; S147-R149 PolarHBondContact O-N 3.01Å; R149-T152 WeakPolarHBondContact CA-OG1 3.32Å |
| 150 | L | 37.7 | Very low | 47.5 | Very low | 122 Ų | 122 | 88.2 Ų | 88.2 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -79.8 | -29.5 | 171.7 | -68.7 | 170.6 | 0 | 0 | 0 | 111.7 | S147 D148 | S147-L150 PolarHBondContact O-N 2.85Å; S147-L150 VanDerWaalsContact O-N 3.07Å; D148-L150 VanDerWaalsContact C-N 3.34Å |
| 151 | N | 37.5 | Very low | 45.7 | Very low | 131 Ų | 131 | 95.7 Ų | 95.7 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -85.8 | -16 | -178.3 | -65 | -16.6 | 0 | 0 | 0 | 113.8 | D148 | D148-N151 PolarHBondContact O-N 3.41Å |
| 152 | T | 41 | Very low | 44.1 | Very low | 104 Ų | 104 | 99.1 Ų | 99.1 | 64% | 0.638 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -98 | 5.4 | -172.3 | 43.2 | 0 | 0 | 0 | 0 | 114.9 | D148 R149 | D148-T152 WeakPolarHBondContact O-CG2 3.36Å; D148-T152 PolarHBondContact O-N 3.48Å; D148-T152 PolarHBondContact O-OG1 2.87Å; R149-T152 WeakPolarHBondContact CA-OG1 3.32Å |
| 153 | T | 36.3 | Very low | 42.4 | Very low | 122 Ų | 122 | 105.6 Ų | 105.6 | 75% | 0.748 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -112.4 | 18.6 | 179.5 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 154 | G | 31.1 | Very low | 40.9 | Very low | 69 Ų | 69 | 109.9 Ų | 109.9 | 71% | 0.711 | 61% | 0.609 | S | S | * | * | trans | -122.6 | 34.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 155 | V | 32.1 | Very low | 39.3 | Very low | 123 Ų | 123 | 116.5 Ų | 116.5 | 75% | 0.745 | 64% | 0.639 | S | S | * | * | trans | -133.5 | 137.2 | -178.3 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 156 | S | 29.1 | Very low | 38 | Very low | 89 Ų | 89 | 120.6 Ų | 120.6 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 60.4 | 101.1 | 171.5 | 50.9 | 0 | 0 | 0 | 0 | 118.7 | ||
| 157 | D | 30.4 | Very low | 36.8 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | trans | 80.1 | 158.8 | 130.4 | -49.3 | -29.8 | 0 | 0 | 0 | 122.2 | ||||
| 158 | I | 36.2 | Very low | 35.8 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | trans | 82.2 | 83.3 | 175.2 | -46.5 | 179.5 | 0 | 0 | 0 | 116.7 | ||||
| 159 | H | 32.9 | Very low | 34.8 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 79% | 0.787 | 73% | 0.725 | S | S | * | * | trans | 53.1 | 133.4 | 139.3 | -79.3 | -61.1 | 0 | 0 | 0 | 123.9 | ||||
| 160 | D | 31.5 | Very low | 34.1 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -49.5 | 124.8 | 156.9 | -50.5 | -85.9 | 0 | 0 | 0 | 113.8 | ||
| 161 | E | 33.5 | Very low | 33.6 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -175 | -28.2 | 141.7 | -111 | -176.3 | 163.9 | 0 | 0 | 110.6 | ||
| 162 | T | 35.5 | Very low | 33.4 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -84.3 | -10.6 | -170.7 | 53 | 0 | 0 | 0 | 0 | 115.9 | T164 M165 | T162-T164 VanDerWaalsContact C-N 3.25Å; T162-T164 PolarHBondContact O-N 3Å; T162-M165 PolarHBondContact O-N 3.1Å |
| 163 | Q | 34.7 | Very low | 33 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -72.4 | -9.3 | -173.8 | -69.1 | -160.8 | 17.3 | 0 | 0 | 115.5 | ||
| 164 | T | 35.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -85.8 | -28.3 | 176.8 | 49 | 0 | 0 | 0 | 0 | 112.9 | T162 | T162-T164 VanDerWaalsContact C-N 3.25Å; T162-T164 PolarHBondContact O-N 3Å |
| 165 | M | 34.6 | Very low | 33.8 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -5.6 | -174.4 | -75.5 | -72.8 | 172.7 | 0 | 0 | 115.1 | T162 | T162-M165 PolarHBondContact O-N 3.1Š|
| 166 | L | 36 | Very low | 34.5 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 6.9 | -169.6 | -75.9 | 169.2 | 0 | 0 | 0 | 115.4 | ||
| 167 | K | 36.4 | Very low | 35.3 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -98.9 | -1.9 | -169.5 | -87.5 | 171.4 | 177.7 | 149.4 | 0 | 117.5 | ||
| 168 | E | 33.7 | Very low | 36 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.874 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -96.7 | -8.6 | 179.7 | -63.1 | -168.6 | 126.5 | 0 | 0 | 114.8 | H170 | E168-H170 PolarHBondContact O-N 3.39Å; E168-H170 VanDerWaalsContact O-N 3.07Å |
| 169 | N | 30 | Very low | 36.5 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 79% | 0.786 | 63% | 0.634 | S | S | * | * | trans | -88 | 79.8 | -174.3 | -79.5 | -68.1 | 0 | 0 | 0 | 113.6 | F171 | N169-F171 VanDerWaalsContact C-N 3.35Å; N169-F171 PolarHBondContact O-N 2.87Å | ||
| 170 | H | 29.8 | Very low | 37.4 | Very low | 185 Ų | 185 | 119.2 Ų | 119.2 | 86% | 0.856 | 62% | 0.619 | S | S | * | * | trans | -72.4 | 64.2 | -175.5 | -153.6 | -75.3 | 0 | 0 | 0 | 114.4 | E168 | E168-H170 PolarHBondContact O-N 3.39Å; E168-H170 VanDerWaalsContact O-N 3.07Å | ||
| 171 | F | 28.8 | Very low | 38.6 | Very low | 117 Ų | 117 | 115.9 Ų | 115.9 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | trans | -154.6 | 55.4 | 179.6 | -120.8 | -66.4 | 0 | 0 | 0 | 117.6 | N169 K173 S769 S770 | N169-F171 VanDerWaalsContact C-N 3.35Å; N169-F171 PolarHBondContact O-N 2.87Å; F171-K173 HydrophobicContact CD1-CD 4.17Å; F171-K173 HydrophobicContact CD1-CG 4.19Å; F171-K173 HydrophobicContact CE1-CD 4.46Å; F171-K173 PolarHBondContact O-N 2.88Å; F171-S769 VanDerWaalsContact CE2-O 3.27Å; F171-S769 WeakPolarHBondContact CE2-O 3.34Å; F171-S770 WeakPolarHBondContact CD1-OG 3.46Å; F171-S770 WeakPolarHBondContact CD2-OG 3.24Å; F171-S770 VanDerWaalsContact CE1-OG 3.3Å; F171-S770 WeakPolarHBondContact CE1-OG 3.2Å; F171-S770 WeakPolarHBondContact CE2-OG 3.32Å; F171-S770 WeakPolarHBondContact CG-OG 3.42Å; F171-S770 WeakPolarHBondContact CZ-OG 3.43Å | ||
| 172 | L | 32.1 | Very low | 39.7 | Very low | 186 Ų | 186 | 112.3 Ų | 112.3 | 97% | 0.974 | 58% | 0.583 | S | S | * | * | trans | -72.6 | 80.2 | 176.2 | -109.3 | 162.2 | 0 | 0 | 0 | 113.1 | ||||
| 173 | K | 33.9 | Very low | 40.6 | Very low | 71 Ų | 71 | 108.7 Ų | 108.7 | 31% | 0.309 | 56% | 0.562 | S | S | . | * | trans | -64.9 | 149.6 | 166.8 | -80.3 | 156.8 | 175.9 | 135.1 | 0 | 110.5 | F171 K177 S770 S771 | F171-K173 HydrophobicContact CD1-CD 4.17Å; F171-K173 HydrophobicContact CD1-CG 4.19Å; F171-K173 HydrophobicContact CE1-CD 4.46Å; F171-K173 PolarHBondContact O-N 2.88Å; K173-K177 HydrophobicContact CB-CD 4.42Å; K173-S770 PolarHBondContact NZ-O 3.38Å; K173-S770 PolarHBondContact NZ-OG 2.88Å; K173-S771 PolarHBondContact NZ-O 3.14Å | ||
| 174 | S | 42.3 | Very low | 41.7 | Very low | 40 Ų | 40 | 102.8 Ų | 102.8 | 28% | 0.28 | 54% | 0.535 | S | S | . | . | trans | -48.4 | 140.6 | -171.7 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | L176 K177 | S174-L176 PolarHBondContact O-N 2.95Å; S174-K177 WeakPolarHBondContact O-CB 3.43Å; S174-K177 PolarHBondContact O-N 3.3Å | ||
| 175 | P | 41.3 | Very low | 43 | Very low | 79 Ų | 79 | 98.2 Ų | 98.2 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -58.4 | -32.7 | -165.4 | 19.7 | -32.8 | 0 | 0 | 0 | 113.8 | T146 K177 S178 | T146-P175 HydrophobicContact CG2-CG 4.38Å; P175-K177 PolarHBondContact O-N 2.95Å; P175-K177 VanDerWaalsContact O-N 3.13Å; P175-S178 PolarHBondContact O-N 3Å; P175-S178 PolarHBondContact O-OG 3.33Å |
| 176 | L | 47.7 | Very low | 44.2 | Very low | 17 Ų | 17 | 95.1 Ų | 95.1 | 9% | 0.089 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -58 | -22.6 | 176.3 | -67.1 | 168.5 | 0 | 0 | 0 | 114 | T146 S174 S178 I184 N1421 Y1425 | T146-L176 HydrophobicContact CG2-CD2 4.28Å; T146-L176 HydrophobicContact CG2-CG 4.49Å; S174-L176 PolarHBondContact O-N 2.95Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 3.18Å; L176-I184 HydrophobicContact CD2-CD1 4.07Å; L176-N1421 HydrophobicContact CD1-CB 4.39Å; L176-Y1425 HydrophobicContact CB-CE2 3.95Å; L176-Y1425 VanDerWaalsContact CB-OH 3.29Å; L176-Y1425 WeakPolarHBondContact CB-OH 3.49Å; L176-Y1425 HydrophobicContact CD1-CE2 4.04Å; L176-Y1425 PolarHBondContact O-OH 3.38Å |
| 177 | K | 45.7 | Very low | 45.2 | Very low | 129 Ų | 129 | 90.9 Ų | 90.9 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -75.3 | -14.6 | 175.9 | -99.9 | -177.2 | 174.6 | -178.6 | 0 | 114.8 | K173 S174 P175 | K173-K177 HydrophobicContact CB-CD 4.42Å; S174-K177 WeakPolarHBondContact O-CB 3.43Å; S174-K177 PolarHBondContact O-N 3.3Å; P175-K177 PolarHBondContact O-N 2.95Å; P175-K177 VanDerWaalsContact O-N 3.13Å |
| 178 | S | 44 | Very low | 46.4 | Very low | 110 Ų | 110 | 83.6 Ų | 83.6 | 77% | 0.769 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -22.6 | 178.4 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | P175 L176 | P175-S178 PolarHBondContact O-N 3Å; P175-S178 PolarHBondContact O-OG 3.33Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 3.18Å |
| 179 | C | 46.6 | Very low | 47.8 | Very low | 34 Ų | 34 | 76.6 Ų | 76.6 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -88 | 131.7 | 179.9 | -158.9 | 0 | 0 | 0 | 0 | 109.9 | I184 | C179-I184 HydrophobicContact CB-CD1 4.31Å; C179-I184 HydrophobicContact CB-CG1 4.26Å |
| 180 | S | 51.8 | Low | 49.2 | Very low | 67 Ų | 67 | 77.5 Ų | 77.5 | 47% | 0.469 | 44% | 0.435 | S | S | . | . | trans | -62.9 | 137.4 | 169.1 | 49 | 0 | 0 | 0 | 0 | 110.2 | E182 A183 I184 | S180-E182 PolarHBondContact O-N 2.82Å; S180-E182 VanDerWaalsContact O-N 3.12Å; S180-A183 WeakPolarHBondContact O-CB 3.06Å; S180-A183 PolarHBondContact O-N 3.36Å; S180-A183 WeakPolarHBondContact OG-CB 3.37Å; S180-I184 PolarHBondContact O-N 2.83Å | ||
| 181 | E | 56.8 | Low | 50.8 | Low | 66 Ų | 66 | 74.7 Ų | 74.7 | 31% | 0.308 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -54.6 | -35.7 | -179.8 | -57.7 | -178.3 | 141.1 | 0 | 0 | 111.7 | A183 I184 L185 Y1425 K1427 | E181-A183 VanDerWaalsContact C-N 3.3Å; E181-A183 PolarHBondContact O-N 2.98Å; E181-I184 PolarHBondContact O-N 2.89Å; E181-L185 WeakPolarHBondContact O-CG 3.33Å; E181-L185 PolarHBondContact O-N 3.38Å; E181-Y1425 HydrophobicContact CG-CD1 4.41Å; E181-K1427 HydrophobicContact CB-CD 4.04Å; E181-K1427 WeakPolarHBondContact OE2-CD 3.35Å; E181-K1427 WeakPolarHBondContact OE2-CE 3.3Å; E181-K1427 IonicContact OE2-NZ 2.89Å; E181-K1427 PolarHBondContact OE2-NZ 3.04Å |
| 182 | E | 56.3 | Low | 52.8 | Low | 103 Ų | 103 | 70.4 Ų | 70.4 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 174.9 | -68.7 | 62.6 | -137.2 | 0 | 0 | 112.5 | S180 L185 C186 K1427 | S180-E182 PolarHBondContact O-N 2.82Å; S180-E182 VanDerWaalsContact O-N 3.12Å; E182-L185 PolarHBondContact O-N 3.39Å; E182-C186 WeakPolarHBondContact O-CB 3.16Å; E182-C186 PolarHBondContact O-N 2.77Å; E182-C186 PolarHBondContact O-SG 3.22Å; E182-K1427 IonicContact OE1-NZ 3.01Å; E182-K1427 PolarHBondContact OE1-NZ 3.22Å |
| 183 | A | 54.8 | Low | 54.9 | Low | 24 Ų | 24 | 61.9 Ų | 61.9 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74.2 | -31.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S180 E181 A187 | S180-A183 WeakPolarHBondContact O-CB 3.06Å; S180-A183 PolarHBondContact O-N 3.36Å; S180-A183 WeakPolarHBondContact OG-CB 3.37Å; E181-A183 VanDerWaalsContact C-N 3.3Å; E181-A183 PolarHBondContact O-N 2.98Å; A183-A187 PolarHBondContact O-N 3.4Å |
| 184 | I | 58.7 | Low | 56.7 | Low | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 171.5 | -55.4 | 178.7 | 0 | 0 | 0 | 109.4 | L145 L176 C179 S180 E181 A187 F188 L1428 | L145-I184 HydrophobicContact CD1-CG2 4.5Å; L176-I184 HydrophobicContact CD2-CD1 4.07Å; C179-I184 HydrophobicContact CB-CD1 4.31Å; C179-I184 HydrophobicContact CB-CG1 4.26Å; S180-I184 PolarHBondContact O-N 2.83Å; E181-I184 PolarHBondContact O-N 2.89Å; I184-A187 PolarHBondContact O-N 3.24Å; I184-F188 HydrophobicContact CG2-CE2 4.43Å; I184-F188 WeakPolarHBondContact O-CD2 3.25Å; I184-L1428 HydrophobicContact CG2-CD1 4.42Å; I184-L1428 HydrophobicContact CG2-CD2 4.2Å |
| 185 | L | 62.3 | Low | 58.3 | Low | 24 Ų | 24 | 57.7 Ų | 57.7 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 177.5 | -69.3 | 169.9 | 0 | 0 | 0 | 113.1 | E181 E182 A187 F188 L192 K1427 L1428 | E181-L185 WeakPolarHBondContact O-CG 3.33Å; E181-L185 PolarHBondContact O-N 3.38Å; E182-L185 PolarHBondContact O-N 3.39Å; L185-A187 PolarHBondContact O-N 3.38Å; L185-F188 PolarHBondContact O-N 3.29Å; L185-F188 VanDerWaalsContact O-N 3.15Å; L185-L192 HydrophobicContact CD2-CD1 3.97Å; L185-K1427 HydrophobicContact CD1-CB 4.09Å; L185-K1427 HydrophobicContact CD1-CD 3.83Å; L185-K1427 HydrophobicContact CD1-CG 4.48Å; L185-L1428 HydrophobicContact CD2-CD2 4.06Å |
| 186 | C | 58.9 | Low | 60.1 | Low | 100 Ų | 100 | 55.7 Ų | 55.7 | 68% | 0.676 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.9 | -33.4 | 173.8 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | E182 F188 G189 | E182-C186 WeakPolarHBondContact O-CB 3.16Å; E182-C186 PolarHBondContact O-N 2.77Å; E182-C186 PolarHBondContact O-SG 3.22Å; C186-F188 VanDerWaalsContact C-N 3.26Å; C186-F188 PolarHBondContact O-N 3.35Å; C186-G189 PolarHBondContact O-N 3.02Å; C186-G189 VanDerWaalsContact O-N 3.13Å |
| 187 | A | 57.7 | Low | 61.2 | Low | 43 Ų | 43 | 61.8 Ų | 61.8 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -4.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L145 A183 I184 L185 | L145-A187 HydrophobicContact CD1-CB 3.86Å; L145-A187 HydrophobicContact CD2-CB 3.64Å; L145-A187 HydrophobicContact CG-CB 4.35Å; A183-A187 PolarHBondContact O-N 3.4Å; I184-A187 PolarHBondContact O-N 3.24Å; L185-A187 PolarHBondContact O-N 3.38Å |
| 188 | F | 62.2 | Low | 62.4 | Low | 12 Ų | 12 | 58.4 Ų | 58.4 | 5% | 0.053 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -21.7 | 163.6 | -82.4 | -95.4 | 0 | 0 | 0 | 112.9 | H141 I142 L145 I184 L185 C186 D190 R191 L192 L1428 | H141-F188 HydrophobicContact CB-CE1 4.3Å; H141-F188 AromaticContact CE1-CD1 3.62Å; H141-F188 AromaticContact CE1-CE1 3.9Å; H141-F188 AromaticContact CE1-CG 3.93Å; H141-F188 AromaticContact CG-CE1 3.87Å; H141-F188 AromaticContact ND1-CD1 3.55Å; H141-F188 AromaticContact ND1-CE1 3.32Å; H141-F188 VanDerWaalsContact ND1-CE1 3.32Å; H141-F188 WeakPolarHBondContact ND1-CE1 3.42Å; H141-F188 AromaticContact ND1-CZ 3.65Å; I142-F188 HydrophobicContact CG1-CE2 4.41Å; I142-F188 HydrophobicContact CG1-CZ 3.95Å; L145-F188 HydrophobicContact CD1-CD2 4.27Å; L145-F188 HydrophobicContact CD1-CE2 4.22Å; I184-F188 HydrophobicContact CG2-CE2 4.43Å; I184-F188 WeakPolarHBondContact O-CD2 3.25Å; L185-F188 PolarHBondContact O-N 3.29Å; L185-F188 VanDerWaalsContact O-N 3.15Å; C186-F188 VanDerWaalsContact C-N 3.26Å; C186-F188 PolarHBondContact O-N 3.35Å; F188-D190 PolarHBondContact O-N 3.35Å; F188-R191 HydrophobicContact CD1-CB 4.3Å; F188-R191 WeakPolarHBondContact O-CB 3.13Å; F188-R191 PolarHBondContact O-N 3.18Å; F188-L192 HydrophobicContact CB-CB 4.31Å; F188-L1428 HydrophobicContact CE2-CD2 3.97Å |
| 189 | G | 61.7 | Low | 64.1 | Low | 40 Ų | 40 | 58.5 Ų | 58.5 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | 48.5 | -128.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C186 R191 L192 | C186-G189 PolarHBondContact O-N 3.02Å; C186-G189 VanDerWaalsContact O-N 3.13Å; G189-R191 PolarHBondContact O-N 3.41Å; G189-R191 VanDerWaalsContact O-N 3.09Å; G189-L192 WeakPolarHBondContact O-CB 3.48Å; G189-L192 PolarHBondContact O-N 3.14Å |
| 190 | D | 60.4 | Low | 65.3 | Low | 166 Ų | 166 | 61.3 Ų | 61.3 | 89% | 0.888 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -63.6 | -11.8 | 179.5 | -59.4 | -45.1 | 0 | 0 | 0 | 114.6 | F188 L192 | F188-D190 PolarHBondContact O-N 3.35Å; D190-L192 VanDerWaalsContact C-N 3.33Å |
| 191 | R | 63.7 | Low | 66.3 | Low | 126 Ų | 126 | 59.4 Ų | 59.4 | 48% | 0.475 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -81.5 | -7.5 | 173.4 | -57.4 | -170.7 | -179 | -149 | 6.4 | 113.2 | D137 F188 G189 H193 Q1431 | D137-R191 IonicContact OD1-NH1 3.97Å; F188-R191 HydrophobicContact CD1-CB 4.3Å; F188-R191 WeakPolarHBondContact O-CB 3.13Å; F188-R191 PolarHBondContact O-N 3.18Å; G189-R191 PolarHBondContact O-N 3.41Å; G189-R191 VanDerWaalsContact O-N 3.09Å; R191-H193 PolarHBondContact O-N 2.91Å; R191-Q1431 PolarHBondContact O-NE2 2.63Å |
| 192 | L | 69.9 | Low | 67.5 | Low | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -68.6 | 129 | 178.1 | -173.1 | 65.9 | 0 | 0 | 0 | 111.1 | L185 F188 G189 D190 A194 L196 Y197 | L185-L192 HydrophobicContact CD2-CD1 3.97Å; F188-L192 HydrophobicContact CB-CB 4.31Å; G189-L192 WeakPolarHBondContact O-CB 3.48Å; G189-L192 PolarHBondContact O-N 3.14Å; D190-L192 VanDerWaalsContact C-N 3.33Å; L192-A194 PolarHBondContact O-N 3.48Å; L192-L196 HydrophobicContact CD1-CB 4.02Å; L192-L196 HydrophobicContact CD1-CD1 4.07Å; L192-L196 HydrophobicContact CG-CB 4.3Å; L192-Y197 HydrophobicContact CD2-CD1 4.07Å; L192-Y197 HydrophobicContact CD2-CE1 3.89Å |
| 193 | H | 75.5 | Confident | 68.6 | Low | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.032 | 28% | 0.283 | C | S | . | . | trans | -70 | 130.8 | 178 | -170.8 | -89.9 | 0 | 0 | 0 | 110.5 | R191 A195 L196 Y205 Y1434 D1438 | R191-H193 PolarHBondContact O-N 2.91Å; H193-A195 VanDerWaalsContact ND1-CB 3.34Å; H193-A195 WeakPolarHBondContact ND1-CB 3.14Å; H193-A195 PolarHBondContact ND1-N 3.11Å; H193-A195 PolarHBondContact O-N 2.96Å; H193-L196 WeakPolarHBondContact O-CB 3.14Å; H193-L196 PolarHBondContact O-N 2.76Å; H193-Y205 AromaticContact CE1-CD2 3.8Å; H193-Y205 AromaticContact CE1-CE2 3.47Å; H193-Y205 VanDerWaalsContact CE1-CE2 3.47Å; H193-Y205 WeakPolarHBondContact CE1-CE2 3.35Å; H193-Y205 AromaticContact CE1-CZ 3.69Å; H193-Y205 AromaticContact NE2-CE2 3.75Å; H193-Y1434 AromaticContact CE1-CD1 3.83Å; H193-Y1434 WeakPolarHBondContact ND1-CB 3.24Å; H193-Y1434 AromaticContact ND1-CD1 3.98Å; H193-Y1434 AromaticContact ND1-CG 3.73Å; H193-D1438 IonicContact CD2-OD2 3.31Å; H193-D1438 IonicContact NE2-OD2 3.77Å; H193-D1438 PolarHBondContact NE2-OD2 3.24Å | ||
| 194 | A | 71.7 | Confident | 69.6 | Low | 22 Ų | 22 | 54.2 Ų | 54.2 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -66.2 | -15.6 | -168 | 0 | 0 | 0 | 0 | 0 | 115.4 | L192 L196 Y197 A201 S1067 | L192-A194 PolarHBondContact O-N 3.48Å; A194-L196 PolarHBondContact O-N 3.4Å; A194-Y197 VanDerWaalsContact CA-CD2 3.45Å; A194-Y197 HydrophobicContact CB-CD2 3.72Å; A194-Y197 HydrophobicContact CB-CE2 3.75Å; A194-Y197 PolarHBondContact O-N 3.07Å; A194-A201 VanDerWaalsContact O-CB 3.3Å; A194-A201 WeakPolarHBondContact O-CB 3.46Å; A194-S1067 VanDerWaalsContact CB-CB 3.48Å; A194-S1067 WeakPolarHBondContact CB-OG 3.42Å |
| 195 | A | 77 | Confident | 70.7 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -60.6 | -18.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H193 E202 Y205 Y1434 | H193-A195 VanDerWaalsContact ND1-CB 3.34Å; H193-A195 WeakPolarHBondContact ND1-CB 3.14Å; H193-A195 PolarHBondContact ND1-N 3.11Å; H193-A195 PolarHBondContact O-N 2.96Å; A195-E202 HydrophobicContact CB-CG 4.33Å; A195-E202 WeakPolarHBondContact O-CA 3.3Å; A195-E202 VanDerWaalsContact O-CB 3.23Å; A195-E202 WeakPolarHBondContact O-CB 3.44Å; A195-E202 PolarHBondContact O-N 3.38Å; A195-Y205 HydrophobicContact CB-CD1 4.18Å; A195-Y205 HydrophobicContact CB-CG 4.23Å; A195-Y1434 HydrophobicContact CB-CD1 3.77Å; A195-Y1434 HydrophobicContact CB-CD2 3.89Å; A195-Y1434 HydrophobicContact CB-CE1 3.71Å; A195-Y1434 HydrophobicContact CB-CE2 3.84Å; A195-Y1434 HydrophobicContact CB-CG 3.9Å |
| 196 | L | 78.4 | Confident | 71.8 | Confident | 37 Ų | 37 | 53 Ų | 53 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -95.3 | -10.4 | -179 | -81 | 163.2 | 0 | 0 | 0 | 115.3 | L192 H193 A194 S198 K1430 Q1431 | L192-L196 HydrophobicContact CD1-CB 4.02Å; L192-L196 HydrophobicContact CD1-CD1 4.07Å; L192-L196 HydrophobicContact CG-CB 4.3Å; H193-L196 WeakPolarHBondContact O-CB 3.14Å; H193-L196 PolarHBondContact O-N 2.76Å; A194-L196 PolarHBondContact O-N 3.4Å; L196-S198 PolarHBondContact O-N 3.05Å; L196-K1430 HydrophobicContact CD2-CB 4.34Å; L196-K1430 HydrophobicContact CD2-CD 4.15Å; L196-K1430 HydrophobicContact CD2-CG 4.14Å; L196-Q1431 VanDerWaalsContact CD1-CA 3.48Å; L196-Q1431 HydrophobicContact CD1-CB 3.57Å; L196-Q1431 HydrophobicContact CD1-CG 4.49Å |
| 197 | Y | 70.8 | Confident | 72.8 | Confident | 145 Ų | 145 | 50.2 Ų | 50.2 | 57% | 0.569 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -60.8 | -33.5 | 177.3 | -74.4 | -61.2 | 0 | 0 | 0 | 112.8 | L192 A194 | L192-Y197 HydrophobicContact CD2-CD1 4.07Å; L192-Y197 HydrophobicContact CD2-CE1 3.89Å; A194-Y197 VanDerWaalsContact CA-CD2 3.45Å; A194-Y197 HydrophobicContact CB-CD2 3.72Å; A194-Y197 HydrophobicContact CB-CE2 3.75Å; A194-Y197 PolarHBondContact O-N 3.07Å |
| 198 | S | 71.4 | Confident | 73.8 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | trans | -165.4 | 160.6 | 171.1 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | L196 Q200 A201 E202 | L196-S198 PolarHBondContact O-N 3.05Å; S198-Q200 PolarHBondContact O-N 3.18Å; S198-Q200 VanDerWaalsContact O-N 3.15Å; S198-Q200 PolarHBondContact OG-N 3.32Å; S198-A201 WeakPolarHBondContact O-CB 3.31Å; S198-A201 PolarHBondContact O-N 3.25Å; S198-A201 PolarHBondContact OG-N 3.19Å; S198-E202 PolarHBondContact O-N 3.36Å | ||
| 199 | R | 80 | Confident | 74.6 | Confident | 113 Ų | 113 | 49.5 Ų | 49.5 | 43% | 0.426 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.2 | -27.2 | 171 | -173.9 | 55.3 | 160.3 | -153.9 | -8.9 | 113 | E202 V203 D309 | R199-E202 WeakPolarHBondContact CD-OE2 3.35Å; R199-E202 IonicContact CZ-OE2 2.66Å; R199-E202 IonicContact NE-OE2 3.17Å; R199-E202 VanDerWaalsContact NH1-CD 3.33Å; R199-E202 IonicContact NH1-OE1 2.68Å; R199-E202 PolarHBondContact NH1-OE1 3.49Å; R199-E202 IonicContact NH1-OE2 3.24Å; R199-E202 PolarHBondContact NH1-OE2 2.63Å; R199-E202 WeakPolarHBondContact O-CB 3.04Å; R199-V203 WeakPolarHBondContact O-CG2 3.35Å; R199-V203 PolarHBondContact O-N 3.33Å; R199-D309 IonicContact CZ-OD1 2.86Å; R199-D309 IonicContact CZ-OD2 2.82Å; R199-D309 VanDerWaalsContact CZ-OD2 3.24Å; R199-D309 VanDerWaalsContact NH1-CG 3.32Å; R199-D309 IonicContact NH1-OD1 2.76Å; R199-D309 PolarHBondContact NH1-OD1 2.89Å; R199-D309 IonicContact NH1-OD2 2.7Å; R199-D309 PolarHBondContact NH1-OD2 3.31Å; R199-D309 IonicContact NH2-OD2 3.18Å; R199-D309 PolarHBondContact NH2-OD2 3.15Å |
| 200 | Q | 71.9 | Confident | 75.6 | Confident | 93 Ų | 93 | 47.9 Ų | 47.9 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.7 | -44.2 | 173 | -174.9 | 63.4 | 16.9 | 0 | 0 | 111.3 | S198 E202 V203 M204 | S198-Q200 PolarHBondContact O-N 3.18Å; S198-Q200 VanDerWaalsContact O-N 3.15Å; S198-Q200 PolarHBondContact OG-N 3.32Å; Q200-E202 VanDerWaalsContact C-N 3.29Å; Q200-E202 PolarHBondContact O-N 3.3Å; Q200-V203 PolarHBondContact O-N 3.12Å; Q200-M204 HydrophobicContact CG-CG 4.49Å; Q200-M204 WeakPolarHBondContact O-CB 3.42Å; Q200-M204 WeakPolarHBondContact O-CG 3.22Å; Q200-M204 PolarHBondContact O-N 2.76Å |
| 201 | A | 73.1 | Confident | 76.5 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 22% | 0.223 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -36.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A194 S198 M204 Y205 | A194-A201 VanDerWaalsContact O-CB 3.3Å; A194-A201 WeakPolarHBondContact O-CB 3.46Å; S198-A201 WeakPolarHBondContact O-CB 3.31Å; S198-A201 PolarHBondContact O-N 3.25Å; S198-A201 PolarHBondContact OG-N 3.19Å; A201-M204 PolarHBondContact O-N 2.87Å; A201-Y205 WeakPolarHBondContact O-CB 3.3Å; A201-Y205 PolarHBondContact O-N 3.41Å |
| 202 | E | 81.4 | Confident | 77 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.3 | -53.7 | 171.4 | -160.6 | -176.3 | 167.9 | 0 | 0 | 112.2 | A195 S198 R199 Q200 Y205 L206 L305 K1430 Y1434 | A195-E202 HydrophobicContact CB-CG 4.33Å; A195-E202 WeakPolarHBondContact O-CA 3.3Å; A195-E202 VanDerWaalsContact O-CB 3.23Å; A195-E202 WeakPolarHBondContact O-CB 3.44Å; A195-E202 PolarHBondContact O-N 3.38Å; S198-E202 PolarHBondContact O-N 3.36Å; R199-E202 WeakPolarHBondContact CD-OE2 3.35Å; R199-E202 IonicContact CZ-OE2 2.66Å; R199-E202 IonicContact NE-OE2 3.17Å; R199-E202 VanDerWaalsContact NH1-CD 3.33Å; R199-E202 IonicContact NH1-OE1 2.68Å; R199-E202 PolarHBondContact NH1-OE1 3.49Å; R199-E202 IonicContact NH1-OE2 3.24Å; R199-E202 PolarHBondContact NH1-OE2 2.63Å; R199-E202 WeakPolarHBondContact O-CB 3.04Å; Q200-E202 VanDerWaalsContact C-N 3.29Å; Q200-E202 PolarHBondContact O-N 3.3Å; E202-Y205 PolarHBondContact O-N 3.03Å; E202-L206 WeakPolarHBondContact O-CG 3.39Å; E202-L206 PolarHBondContact O-N 3.41Å; E202-L305 HydrophobicContact CB-CD1 4.34Å; E202-L305 VanDerWaalsContact CD-CD1 3.44Å; E202-L305 HydrophobicContact CG-CD1 3.77Å; E202-L305 WeakPolarHBondContact OE1-CD1 3.46Å; E202-K1430 WeakPolarHBondContact OE1-CE 3.4Å; E202-K1430 IonicContact OE1-NZ 3.45Å; E202-K1430 PolarHBondContact OE1-NZ 3.46Å; E202-K1430 IonicContact OE2-NZ 3.62Å; E202-K1430 PolarHBondContact OE2-NZ 3.34Å; E202-Y1434 HydrophobicContact CG-CE2 4.23Å; E202-Y1434 WeakPolarHBondContact CG-OH 3.43Å; E202-Y1434 PolarHBondContact OE1-OH 2.91Å |
| 203 | V | 79 | Confident | 77.4 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.8 | 171 | 0 | 0 | 0 | 0 | 111.5 | R199 Q200 L206 R207 T301 L305 | R199-V203 WeakPolarHBondContact O-CG2 3.35Å; R199-V203 PolarHBondContact O-N 3.33Å; Q200-V203 PolarHBondContact O-N 3.12Å; V203-L206 PolarHBondContact O-N 3.11Å; V203-R207 HydrophobicContact CG1-CG 4.42Å; V203-R207 VanDerWaalsContact CG1-CZ 3.46Å; V203-R207 VanDerWaalsContact CG1-NH2 3.33Å; V203-R207 WeakPolarHBondContact O-CB 3.48Å; V203-R207 WeakPolarHBondContact O-CG 3.43Å; V203-R207 PolarHBondContact O-N 3.36Å; V203-T301 HydrophobicContact CG1-CG2 3.8Å; V203-T301 HydrophobicContact CG2-CG2 4.35Å; V203-L305 HydrophobicContact CG2-CD1 3.81Å; V203-L305 HydrophobicContact CG2-CD2 3.71Å; V203-L305 HydrophobicContact CG2-CG 4.4Å |
| 204 | M | 75.2 | Confident | 77.4 | Confident | 70 Ų | 70 | 42.2 Ų | 42.2 | 35% | 0.345 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 175.3 | -68.6 | -68.5 | 95.7 | 0 | 0 | 112.3 | Q200 A201 R207 A208 | Q200-M204 HydrophobicContact CG-CG 4.49Å; Q200-M204 WeakPolarHBondContact O-CB 3.42Å; Q200-M204 WeakPolarHBondContact O-CG 3.22Å; Q200-M204 PolarHBondContact O-N 2.76Å; A201-M204 PolarHBondContact O-N 2.87Å; M204-R207 VanDerWaalsContact CE-NH1 3.26Å; M204-A208 WeakPolarHBondContact O-CB 3.29Å; M204-A208 PolarHBondContact O-N 3.3Å |
| 205 | Y | 82.9 | Confident | 77.3 | Confident | 15 Ų | 15 | 45 Ų | 45 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 173.6 | 167.5 | -87.8 | 0 | 0 | 0 | 111 | H193 A195 A201 E202 R207 A208 V209 L1068 Y1434 L1437 D1438 | H193-Y205 AromaticContact CE1-CD2 3.8Å; H193-Y205 AromaticContact CE1-CE2 3.47Å; H193-Y205 VanDerWaalsContact CE1-CE2 3.47Å; H193-Y205 WeakPolarHBondContact CE1-CE2 3.35Å; H193-Y205 AromaticContact CE1-CZ 3.69Å; H193-Y205 AromaticContact NE2-CE2 3.75Å; A195-Y205 HydrophobicContact CB-CD1 4.18Å; A195-Y205 HydrophobicContact CB-CG 4.23Å; A201-Y205 WeakPolarHBondContact O-CB 3.3Å; A201-Y205 PolarHBondContact O-N 3.41Å; E202-Y205 PolarHBondContact O-N 3.03Å; Y205-R207 PolarHBondContact O-N 2.84Å; Y205-A208 PolarHBondContact O-N 2.82Å; Y205-A208 VanDerWaalsContact O-N 3.15Å; Y205-V209 HydrophobicContact CD1-CG2 4.31Å; Y205-V209 HydrophobicContact CE1-CG2 3.82Å; Y205-V209 HydrophobicContact CE2-CG2 4.11Å; Y205-V209 WeakPolarHBondContact O-CG2 3.4Å; Y205-V209 PolarHBondContact O-N 2.86Å; Y205-L1068 HydrophobicContact CE2-CB 4.22Å; Y205-L1068 HydrophobicContact CE2-CD1 3.92Å; Y205-Y1434 HydrophobicContact CD1-CD1 4Å; Y205-Y1434 AromaticContact CD1-CE1 3.65Å; Y205-Y1434 HydrophobicContact CD1-CE1 3.65Å; Y205-Y1434 AromaticContact CE1-CD1 3.53Å; Y205-Y1434 HydrophobicContact CE1-CD1 3.53Å; Y205-Y1434 AromaticContact CE1-CE1 3.49Å; Y205-Y1434 HydrophobicContact CE1-CE1 3.49Å; Y205-Y1434 VanDerWaalsContact CE1-CE1 3.49Å; Y205-L1437 HydrophobicContact CE1-CD2 4.11Å; Y205-D1438 PolarHBondContact OH-OD1 2.98Å |
| 206 | L | 84.2 | Confident | 77 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 180 | -70.3 | 178.3 | 0 | 0 | 0 | 112.7 | E202 V203 V209 V210 L304 L305 Y1434 L1437 | E202-L206 WeakPolarHBondContact O-CG 3.39Å; E202-L206 PolarHBondContact O-N 3.41Å; V203-L206 PolarHBondContact O-N 3.11Å; L206-V209 PolarHBondContact O-N 3.39Å; L206-V210 WeakPolarHBondContact O-CG2 3.48Å; L206-V210 PolarHBondContact O-N 3.13Å; L206-L304 HydrophobicContact CD1-CB 4.07Å; L206-L304 HydrophobicContact CD2-CB 4.1Å; L206-L304 HydrophobicContact CD2-CD1 4.36Å; L206-L305 HydrophobicContact CD1-CB 3.84Å; L206-L305 HydrophobicContact CD1-CD1 3.75Å; L206-L305 HydrophobicContact CD1-CG 4.45Å; L206-Y1434 HydrophobicContact CD2-CE1 4.09Å; L206-L1437 HydrophobicContact CD2-CD2 4.47Å |
| 207 | R | 80.1 | Confident | 76.6 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 172 | -75.2 | -177 | -168.1 | 155.4 | 12.4 | 112.1 | V203 M204 Y205 V210 N211 I296 E297 S300 F938 | V203-R207 HydrophobicContact CG1-CG 4.42Å; V203-R207 VanDerWaalsContact CG1-CZ 3.46Å; V203-R207 VanDerWaalsContact CG1-NH2 3.33Å; V203-R207 WeakPolarHBondContact O-CB 3.48Å; V203-R207 WeakPolarHBondContact O-CG 3.43Å; V203-R207 PolarHBondContact O-N 3.36Å; M204-R207 VanDerWaalsContact CE-NH1 3.26Å; Y205-R207 PolarHBondContact O-N 2.84Å; R207-V210 PolarHBondContact O-N 3.15Å; R207-N211 VanDerWaalsContact O-CB 3.24Å; R207-N211 WeakPolarHBondContact O-CB 3.35Å; R207-N211 PolarHBondContact O-N 3.46Å; R207-I296 HydrophobicContact CB-CG2 3.98Å; R207-I296 HydrophobicContact CG-CG2 3.99Å; R207-E297 VanDerWaalsContact CZ-CD 3.46Å; R207-E297 IonicContact CZ-OE1 2.64Å; R207-E297 IonicContact CZ-OE2 3.27Å; R207-E297 IonicContact NE-OE1 2.65Å; R207-E297 PolarHBondContact NE-OE1 3.17Å; R207-E297 IonicContact NE-OE2 3.9Å; R207-E297 PolarHBondContact NE-OE2 3.13Å; R207-E297 IonicContact NH1-OE2 3.24Å; R207-E297 VanDerWaalsContact NH2-CD 3.25Å; R207-E297 IonicContact NH2-OE1 3.12Å; R207-E297 PolarHBondContact NH2-OE1 3.38Å; R207-E297 IonicContact NH2-OE2 2.78Å; R207-E297 PolarHBondContact NH2-OE2 2.89Å; R207-E297 VanDerWaalsContact NH2-OE2 3.17Å; R207-S300 WeakPolarHBondContact CG-OG 3.45Å; R207-F938 VanDerWaalsContact NH2-CE1 3.3Å |
| 208 | A | 78.4 | Confident | 76.1 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M204 Y205 R212 | M204-A208 WeakPolarHBondContact O-CB 3.29Å; M204-A208 PolarHBondContact O-N 3.3Å; Y205-A208 PolarHBondContact O-N 2.82Å; Y205-A208 VanDerWaalsContact O-N 3.15Å; A208-R212 WeakPolarHBondContact O-CG 3.31Å; A208-R212 PolarHBondContact O-N 2.82Å; A208-R212 VanDerWaalsContact O-N 3.11Å |
| 209 | V | 80.9 | Confident | 75.5 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -54.2 | 172.2 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | Y205 L206 N211 R212 L213 L1068 L1441 | Y205-V209 HydrophobicContact CD1-CG2 4.31Å; Y205-V209 HydrophobicContact CE1-CG2 3.82Å; Y205-V209 HydrophobicContact CE2-CG2 4.11Å; Y205-V209 WeakPolarHBondContact O-CG2 3.4Å; Y205-V209 PolarHBondContact O-N 2.86Å; L206-V209 PolarHBondContact O-N 3.39Å; V209-N211 VanDerWaalsContact C-N 3.32Å; V209-N211 PolarHBondContact O-N 3.31Å; V209-R212 PolarHBondContact O-N 3.05Å; V209-R212 VanDerWaalsContact O-N 3.13Å; V209-L213 HydrophobicContact CG1-CD1 3.65Å; V209-L213 HydrophobicContact CG1-CG 4.29Å; V209-L213 WeakPolarHBondContact O-CG 3.24Å; V209-L213 PolarHBondContact O-N 3.09Å; V209-L1068 HydrophobicContact CG2-CD1 3.9Å; V209-L1441 HydrophobicContact CG1-CD1 3.69Å; V209-L1441 HydrophobicContact CG1-CD2 4.43Å; V209-L1441 HydrophobicContact CG2-CD1 4.13Å |
| 210 | V | 81.9 | Confident | 74.3 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 179.9 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | L206 R207 R212 L213 L214 I296 L299 L304 | L206-V210 WeakPolarHBondContact O-CG2 3.48Å; L206-V210 PolarHBondContact O-N 3.13Å; R207-V210 PolarHBondContact O-N 3.15Å; V210-R212 VanDerWaalsContact C-N 3.29Å; V210-R212 PolarHBondContact O-N 2.94Å; V210-L213 PolarHBondContact O-N 3.16Å; V210-L213 VanDerWaalsContact O-N 3.13Å; V210-L214 WeakPolarHBondContact O-CB 3.19Å; V210-L214 PolarHBondContact O-N 3.33Å; V210-I296 HydrophobicContact CG1-CB 4.39Å; V210-I296 HydrophobicContact CG1-CG1 4.07Å; V210-L299 HydrophobicContact CG1-CB 3.92Å; V210-L299 HydrophobicContact CG1-CD1 3.87Å; V210-L299 HydrophobicContact CG2-CB 3.93Å; V210-L304 HydrophobicContact CG2-CD1 3.51Å |
| 211 | N | 78.2 | Confident | 73.4 | Confident | 89 Ų | 89 | 30.6 Ų | 30.6 | 48% | 0.476 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.3 | -32.4 | 177.6 | -171.9 | 53.9 | 0 | 0 | 0 | 113 | R207 V209 P215 I296 | R207-N211 VanDerWaalsContact O-CB 3.24Å; R207-N211 WeakPolarHBondContact O-CB 3.35Å; R207-N211 PolarHBondContact O-N 3.46Å; V209-N211 VanDerWaalsContact C-N 3.32Å; V209-N211 PolarHBondContact O-N 3.31Å; N211-P215 WeakPolarHBondContact O-CD 3.42Å; N211-I296 HydrophobicContact CB-CD1 3.87Å; N211-I296 HydrophobicContact CB-CG1 4.3Å; N211-I296 VanDerWaalsContact OD1-CD1 3.22Å; N211-I296 WeakPolarHBondContact OD1-CD1 3.41Å |
| 212 | R | 75.2 | Confident | 72.2 | Confident | 87 Ų | 87 | 32.2 Ų | 32.2 | 33% | 0.328 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -77.2 | -31.8 | 172 | -72 | -173.6 | -178.1 | -156.5 | 2.6 | 112.7 | A208 V209 V210 D1069 L1072 L1448 | A208-R212 WeakPolarHBondContact O-CG 3.31Å; A208-R212 PolarHBondContact O-N 2.82Å; A208-R212 VanDerWaalsContact O-N 3.11Å; V209-R212 PolarHBondContact O-N 3.05Å; V209-R212 VanDerWaalsContact O-N 3.13Å; V210-R212 VanDerWaalsContact C-N 3.29Å; V210-R212 PolarHBondContact O-N 2.94Å; R212-D1069 IonicContact CZ-OD1 2.73Å; R212-D1069 IonicContact NH1-OD1 3.97Å; R212-D1069 IonicContact NH2-OD1 3.24Å; R212-D1069 PolarHBondContact NH2-OD1 2.98Å; R212-L1072 VanDerWaalsContact NH1-CD1 3.26Å; R212-L1448 HydrophobicContact CB-CD2 4.04Å |
| 213 | L | 78.4 | Confident | 70.3 | Confident | 18 Ų | 18 | 37 Ų | 37 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -80.9 | -34.5 | -179.8 | -69.7 | 175.5 | 0 | 0 | 0 | 114.2 | V209 V210 P215 V216 L217 L1441 F1445 L1448 | V209-L213 HydrophobicContact CG1-CD1 3.65Å; V209-L213 HydrophobicContact CG1-CG 4.29Å; V209-L213 WeakPolarHBondContact O-CG 3.24Å; V209-L213 PolarHBondContact O-N 3.09Å; V210-L213 PolarHBondContact O-N 3.16Å; V210-L213 VanDerWaalsContact O-N 3.13Å; L213-P215 VanDerWaalsContact C-CD 3.5Å; L213-V216 PolarHBondContact O-N 2.91Å; L213-L217 HydrophobicContact CB-CD1 3.95Å; L213-L217 HydrophobicContact CB-CG 4.38Å; L213-L217 WeakPolarHBondContact O-CB 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.46Å; L213-L217 PolarHBondContact O-N 3.15Å; L213-L1441 HydrophobicContact CD1-CD2 3.85Å; L213-L1441 HydrophobicContact CD2-CD2 4.26Å; L213-F1445 HydrophobicContact CD2-CB 4.43Å; L213-F1445 HydrophobicContact CD2-CD1 4.12Å; L213-F1445 HydrophobicContact CD2-CD2 3.38Å; L213-F1445 HydrophobicContact CD2-CE1 4.21Å; L213-F1445 HydrophobicContact CD2-CE2 3.52Å; L213-F1445 HydrophobicContact CD2-CG 3.71Å; L213-F1445 HydrophobicContact CD2-CZ 3.94Å; L213-L1448 HydrophobicContact CD2-CD1 4.08Å |
| 214 | L | 75 | Confident | 68.5 | Low | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -40.9 | -170.7 | -161.1 | 75.8 | 0 | 0 | 0 | 113.8 | F106 V210 G218 L285 L295 I296 L299 | F106-L214 HydrophobicContact CE1-CD1 3.86Å; F106-L214 HydrophobicContact CZ-CD1 3.68Å; V210-L214 WeakPolarHBondContact O-CB 3.19Å; V210-L214 PolarHBondContact O-N 3.33Å; L214-G218 PolarHBondContact O-N 3.07Å; L214-L285 HydrophobicContact CD2-CD2 4.13Å; L214-L295 HydrophobicContact CD1-CB 4.09Å; L214-L295 HydrophobicContact CD1-CD1 4.33Å; L214-L295 HydrophobicContact CD2-CB 4.14Å; L214-L295 HydrophobicContact CD2-CD1 4.27Å; L214-I296 HydrophobicContact CD2-CG1 4.42Å; L214-L299 HydrophobicContact CD1-CD1 4.19Å |
| 215 | P | 70.3 | Confident | 66.5 | Low | 79 Ų | 79 | 39.7 Ų | 39.7 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 173.4 | -20.6 | 33.8 | 0 | 0 | 0 | 112.2 | N211 L213 L217 G218 M219 | N211-P215 WeakPolarHBondContact O-CD 3.42Å; L213-P215 VanDerWaalsContact C-CD 3.5Å; P215-L217 VanDerWaalsContact C-N 3.34Å; P215-L217 PolarHBondContact O-N 3.31Å; P215-G218 PolarHBondContact O-N 3.15Å; P215-M219 PolarHBondContact O-N 3.01Å |
| 216 | V | 70.3 | Confident | 63.9 | Low | 17 Ų | 17 | 43.9 Ų | 43.9 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.1 | -26.7 | -174.7 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | R117 L213 F1445 E1447 | R117-V216 VanDerWaalsContact NH2-CG1 3.35Å; L213-V216 PolarHBondContact O-N 2.91Å; V216-F1445 HydrophobicContact CB-CD1 4.32Å; V216-F1445 HydrophobicContact CG1-CD1 3.63Å; V216-F1445 HydrophobicContact CG1-CE1 4.22Å; V216-E1447 WeakPolarHBondContact CG1-OE2 3.24Å |
| 217 | L | 70.2 | Confident | 61.4 | Low | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -77.5 | -25.2 | 172 | -72.8 | 172 | 0 | 0 | 0 | 113.3 | Y109 I114 L213 P215 F1445 | Y109-L217 WeakPolarHBondContact CE1-O 3.29Å; I114-L217 HydrophobicContact CD1-CD2 3.88Å; I114-L217 HydrophobicContact CG1-CD2 3.63Å; L213-L217 HydrophobicContact CB-CD1 3.95Å; L213-L217 HydrophobicContact CB-CG 4.38Å; L213-L217 WeakPolarHBondContact O-CB 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.46Å; L213-L217 PolarHBondContact O-N 3.15Å; P215-L217 VanDerWaalsContact C-N 3.34Å; P215-L217 PolarHBondContact O-N 3.31Å; L217-F1445 HydrophobicContact CD2-CE1 3.97Å; L217-F1445 HydrophobicContact CD2-CZ 3.79Å; L217-F1445 HydrophobicContact CG-CE1 4.46Å; L217-F1445 HydrophobicContact CG-CZ 4.46Å |
| 218 | G | 60.4 | Low | 59 | Low | 9 Ų | 9 | 58.1 Ų | 58.1 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -77.5 | -22.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L214 P215 | L214-G218 PolarHBondContact O-N 3.07Å; P215-G218 PolarHBondContact O-N 3.15Å |
| 219 | M | 58.5 | Low | 56.8 | Low | 60 Ų | 60 | 65.1 Ų | 65.1 | 30% | 0.296 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -83 | 136.6 | -177.5 | -72.7 | 177.5 | 71.1 | 0 | 0 | 112.7 | P215 M283 | P215-M219 PolarHBondContact O-N 3.01Å; M219-M283 HydrophobicContact CG-CE 3.63Å; M219-M283 HydrophobicContact CG-SD 3.81Å |
| 220 | P | 55.6 | Low | 54.3 | Low | 21 Ų | 21 | 73 Ų | 73 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | trans | -68.6 | 134.5 | 173.7 | 29.1 | -34.6 | 0 | 0 | 0 | 110.2 | F59 Y109 S222 L223 | F59-P220 HydrophobicContact CB-CB 3.48Å; F59-P220 VanDerWaalsContact CB-CB 3.48Å; F59-P220 HydrophobicContact CG-CB 4.38Å; Y109-P220 WeakPolarHBondContact OH-CA 3.49Å; P220-S222 PolarHBondContact O-N 2.84Å; P220-L223 HydrophobicContact CG-CD1 3.76Å; P220-L223 HydrophobicContact CG-CG 4.09Å; P220-L223 PolarHBondContact O-N 3.23Å | ||
| 221 | P | 52.8 | Low | 51.7 | Low | 24 Ų | 24 | 77.9 Ų | 77.9 | 16% | 0.156 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12.3 | -174.6 | 22.7 | -33.7 | 0 | 0 | 0 | 114.6 | F59 Q116 L223 S224 | F59-P221 HydrophobicContact CD1-CG 4.5Å; F59-P221 HydrophobicContact CD2-CG 3.68Å; F59-P221 HydrophobicContact CE2-CG 3.75Å; F59-P221 HydrophobicContact CG-CG 4.08Å; F59-P221 HydrophobicContact CZ-CG 4.19Å; Q116-P221 HydrophobicContact CG-CG 4.46Å; P221-L223 VanDerWaalsContact C-N 3.3Å; P221-L223 PolarHBondContact O-N 3.34Å; P221-S224 PolarHBondContact O-OG 2.89Å |
| 222 | S | 46.7 | Very low | 49.5 | Very low | 62 Ų | 62 | 83.3 Ų | 83.3 | 43% | 0.434 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7.5 | 173.1 | 56.9 | 0 | 0 | 0 | 0 | 115.2 | P220 | P220-S222 PolarHBondContact O-N 2.84Š|
| 223 | L | 41.9 | Very low | 47.1 | Very low | 107 Ų | 107 | 87.5 Ų | 87.5 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -103.4 | -16.3 | 177.8 | -72.9 | 177.6 | 0 | 0 | 0 | 114.3 | P220 P221 S225 | P220-L223 HydrophobicContact CG-CD1 3.76Å; P220-L223 HydrophobicContact CG-CG 4.09Å; P220-L223 PolarHBondContact O-N 3.23Å; P221-L223 VanDerWaalsContact C-N 3.3Å; P221-L223 PolarHBondContact O-N 3.34Å; L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.4Å |
| 224 | S | 40.6 | Very low | 44.8 | Very low | 54 Ų | 54 | 92.4 Ų | 92.4 | 38% | 0.378 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -75.8 | -8.5 | -178.8 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | P221 E1447 | P221-S224 PolarHBondContact O-OG 2.89Å; S224-E1447 VanDerWaalsContact CB-OE2 3.26Å; S224-E1447 WeakPolarHBondContact CB-OE2 3.43Å |
| 225 | S | 33.3 | Very low | 42.6 | Very low | 78 Ų | 78 | 97.5 Ų | 97.5 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -104 | 97.5 | -175.9 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | L223 E227 | L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.4Å; S225-E227 PolarHBondContact O-N 3.39Å; S225-E227 VanDerWaalsContact O-N 3.17Å |
| 226 | S | 29.7 | Very low | 40.7 | Very low | 104 Ų | 104 | 99.3 Ų | 99.3 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 70.9 | -0 | 146.5 | -165.6 | 0 | 0 | 0 | 0 | 121.6 | ||
| 227 | E | 30.5 | Very low | 38.7 | Very low | 170 Ų | 170 | 104.8 Ų | 104.8 | 79% | 0.794 | 58% | 0.576 | S | S | * | * | trans | -107.4 | -18.4 | -175.6 | -66.4 | -159.4 | 141 | 0 | 0 | 117.5 | S225 H229 K230 | S225-E227 PolarHBondContact O-N 3.39Å; S225-E227 VanDerWaalsContact O-N 3.17Å; E227-H229 VanDerWaalsContact C-N 3.3Å; E227-H229 PolarHBondContact O-N 2.69Å; E227-K230 PolarHBondContact O-N 2.82Å | ||
| 228 | M | 30 | Very low | 36.8 | Very low | 169 Ų | 169 | 113.1 Ų | 113.1 | 83% | 0.833 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -17.3 | -176.3 | -93.1 | -171.6 | 67.5 | 0 | 0 | 116.1 | ||
| 229 | H | 31.5 | Very low | 35.4 | Very low | 180 Ų | 180 | 115.8 Ų | 115.8 | 83% | 0.833 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 21.1 | 178.6 | -86.6 | -99.2 | 0 | 0 | 0 | 114.3 | E227 | E227-H229 VanDerWaalsContact C-N 3.3Å; E227-H229 PolarHBondContact O-N 2.69Å |
| 230 | K | 29.4 | Very low | 34.1 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | trans | -125.9 | 16.4 | -179.2 | -79.3 | -176.2 | 178.7 | 169.7 | 0 | 116.7 | E227 K232 | E227-K230 PolarHBondContact O-N 2.82Å; K230-K232 VanDerWaalsContact C-N 3.33Å; K230-K232 PolarHBondContact O-N 2.83Å; K230-K232 VanDerWaalsContact O-N 3.14Å | ||
| 231 | S | 27.7 | Very low | 32.9 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | trans | -81.6 | 75.9 | 160.3 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | E233 | S231-E233 PolarHBondContact O-N 2.85Š| ||
| 232 | K | 30.6 | Very low | 31.9 | Very low | 203 Ų | 203 | 135.8 Ų | 135.8 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | -61.5 | 126.5 | 170.4 | -92.7 | -167.9 | 171.9 | -171.8 | 0 | 110 | K230 | K230-K232 VanDerWaalsContact C-N 3.33Å; K230-K232 PolarHBondContact O-N 2.83Å; K230-K232 VanDerWaalsContact O-N 3.14Å | ||
| 233 | E | 26.5 | Very low | 31.1 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -60.6 | 145.4 | 168.4 | -61.8 | -172.8 | 124 | 0 | 0 | 110.8 | S231 S235 | S231-E233 PolarHBondContact O-N 2.85Å; E233-S235 PolarHBondContact O-N 2.81Å | ||
| 234 | P | 28.6 | Very low | 30.6 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -73.8 | 95.2 | 173.6 | 30.6 | -33 | 0 | 0 | 0 | 109.8 | V236 | P234-V236 PolarHBondContact O-N 3.48Š| ||
| 235 | S | 28.8 | Very low | 30.2 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -54.1 | 129.8 | 179.4 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | E233 | E233-S235 PolarHBondContact O-N 2.81Š| ||
| 236 | V | 31.7 | Very low | 30 | Very low | 118 Ų | 118 | 156.3 Ų | 156.3 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | -117.5 | 135 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | P234 | P234-V236 PolarHBondContact O-N 3.48Š| ||
| 237 | D | 28.3 | Very low | 30.3 | Very low | 131 Ų | 131 | 156.9 Ų | 156.9 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 49.4 | 118.2 | 174.4 | -56 | -31.3 | 0 | 0 | 0 | 116.9 | ||||
| 238 | H | 30.8 | Very low | 30.4 | Very low | 189 Ų | 189 | 156.3 Ų | 156.3 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | -163.6 | 160 | 60.6 | -80.9 | 77.1 | 0 | 0 | 0 | 111.8 | |||||
| 239 | G | 29.4 | Very low | 30.5 | Very low | 65 Ų | 65 | 155.7 Ų | 155.7 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | 108.5 | 92.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 240 | H | 32.8 | Very low | 30.5 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | trans | 70.2 | 122.4 | 138.5 | -67.4 | -48.2 | 0 | 0 | 0 | 123.6 | ||||
| 241 | R | 28.9 | Very low | 30.5 | Very low | 212 Ų | 212 | 149.7 Ų | 149.7 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 92.6 | 100.9 | 130 | -75.2 | 174.8 | -175.5 | -145.2 | 1.8 | 120.7 | ||||
| 242 | L | 31.9 | Very low | 30.8 | Very low | 135 Ų | 135 | 151 Ų | 151 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | 105.1 | 107.9 | 121.7 | -69.5 | 166.2 | 0 | 0 | 0 | 120.2 | |||||
| 243 | R | 29.9 | Very low | 30.9 | Very low | 196 Ų | 196 | 145 Ų | 145 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | trans | 71.8 | 142.8 | 145.7 | -63.5 | -179.6 | 168.5 | 176.1 | -2 | 116.3 | ||||
| 244 | R | 31.8 | Very low | 31 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 68% | 0.683 | 77% | 0.768 | S | S | * | * | cis | -161.9 | 140.2 | 1.6 | -124.6 | 169.6 | -179.6 | 166.5 | -4.6 | 110.2 | ||||
| 245 | N | 31.2 | Very low | 31.1 | Very low | 129 Ų | 129 | 145 Ų | 145 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 54.9 | 141 | 147.7 | -59.2 | -4.9 | 0 | 0 | 0 | 119.9 | ||||
| 246 | R | 29.6 | Very low | 31.1 | Very low | 227 Ų | 227 | 150.9 Ų | 150.9 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | cis | -160.9 | 150.1 | 0.2 | -119.8 | 176.9 | -174.9 | -179.2 | -0.2 | 109.7 | ||||
| 247 | P | 36.3 | Very low | 31 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -108.4 | 174.4 | 179.8 | 41.2 | -35.3 | 0 | 0 | 0 | 114.5 | ||||
| 248 | I | 32.9 | Very low | 31 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -164.5 | 114.8 | 153.5 | -94.5 | 141.6 | 0 | 0 | 0 | 106.6 | ||||
| 249 | H | 31.6 | Very low | 30.8 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | 54.6 | 114.3 | 93 | -102.5 | -88.7 | 0 | 0 | 0 | 113.4 | |||||
| 250 | N | 31.5 | Very low | 30.7 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | cis | -168 | 179.6 | 48.7 | -75.2 | -75.3 | 0 | 0 | 0 | 109.3 | ||||
| 251 | S | 29.6 | Very low | 30.6 | Very low | 95 Ų | 95 | 150.8 Ų | 150.8 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | -172.1 | 156.7 | -34.4 | -78.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 252 | P | 33.4 | Very low | 30.6 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -95.6 | 159.7 | -171.5 | 36.8 | -35.7 | 0 | 0 | 0 | 115.6 | ||||
| 253 | G | 32.3 | Very low | 30.6 | Very low | 77 Ų | 77 | 150.1 Ų | 150.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -161.6 | 151.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 254 | H | 30.1 | Very low | 30.6 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | -81.1 | 150.1 | -172.1 | -68.3 | -109.4 | 0 | 0 | 0 | 115 | ||||
| 255 | A | 30.6 | Very low | 30.3 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -157.7 | 140.2 | 141.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 256 | Y | 28.3 | Very low | 30.2 | Very low | 244 Ų | 244 | 146 Ų | 146 | 96% | 0.957 | 80% | 0.803 | S | S | * | * | trans | -83.3 | 142.4 | 164.3 | -95.9 | -118.4 | 0 | 0 | 0 | 109.5 | ||||
| 257 | G | 30.8 | Very low | 30 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -177.3 | 118.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 258 | S | 27.5 | Very low | 29.7 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -70.9 | 154.4 | -168.1 | -54.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 259 | S | 27.3 | Very low | 29.5 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 91.6 | 135.7 | 146.3 | -143.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 260 | E | 27 | Very low | 29.4 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | trans | 41.6 | 99.8 | 153.3 | -78.4 | -167 | -157 | 0 | 0 | 119 | ||||
| 261 | R | 29.2 | Very low | 29.3 | Very low | 228 Ų | 228 | 140.7 Ų | 140.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | 178.6 | 156.5 | 76.6 | -93 | 143.9 | -168.8 | -146.9 | 0.9 | 112.6 | |||||
| 262 | G | 28.7 | Very low | 29.3 | Very low | 76 Ų | 76 | 139.6 Ų | 139.6 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 81.4 | 69.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 263 | R | 32.2 | Very low | 29.5 | Very low | 257 Ų | 257 | 136.5 Ų | 136.5 | 97% | 0.97 | 77% | 0.773 | S | S | * | * | trans | -111.5 | 128 | 147.9 | -75.4 | -173.8 | 175.1 | 175.2 | -0.9 | 109.2 | ||||
| 264 | K | 30 | Very low | 29.7 | Very low | 207 Ų | 207 | 138.9 Ų | 138.9 | 90% | 0.9 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 132.5 | -178.7 | -61.5 | 175.4 | -179.6 | 177.5 | 0 | 109.2 | ||
| 265 | S | 26.7 | Very low | 30 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 153 | 163.6 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | V267 | S265-V267 PolarHBondContact O-N 3.13Š|
| 266 | P | 28.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 121.7 | 162.3 | 28.5 | -32.2 | 0 | 0 | 0 | 108.6 | V268 | P266-V268 PolarHBondContact O-N 2.98Š|
| 267 | V | 25.4 | Very low | 30.9 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 79% | 0.788 | 69% | 0.687 | S | S | * | * | trans | -85.8 | 91.2 | 175.8 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | S265 | S265-V267 PolarHBondContact O-N 3.13Š| ||
| 268 | V | 30.4 | Very low | 31.6 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | trans | -73.8 | 126.4 | 168.8 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | P266 R270 | P266-V268 PolarHBondContact O-N 2.98Å; V268-R270 PolarHBondContact O-N 3.35Å | ||
| 269 | S | 28.6 | Very low | 32.6 | Very low | 64 Ų | 64 | 112.5 Ų | 112.5 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | trans | -59.9 | 120.2 | -172.4 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | S271 | S269-S271 PolarHBondContact O-N 3.42Š| ||
| 270 | R | 28.4 | Very low | 33.5 | Very low | 263 Ų | 263 | 113.8 Ų | 113.8 | 99% | 0.992 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 36.8 | 173.9 | -75.3 | -175.7 | 166.9 | -179.5 | -4.6 | 113.4 | V268 | V268-R270 PolarHBondContact O-N 3.35Š|
| 271 | S | 30.9 | Very low | 34.5 | Very low | 98 Ų | 98 | 114.2 Ų | 114.2 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 7.5 | -177.8 | 58 | 0 | 0 | 0 | 0 | 113 | S269 S273 | S269-S271 PolarHBondContact O-N 3.42Å; S271-S273 PolarHBondContact O-N 3.49Å |
| 272 | A | 29 | Very low | 35.5 | Very low | 73 Ų | 73 | 104.1 Ų | 104.1 | 60% | 0.603 | 57% | 0.573 | S | S | * | * | trans | -56.3 | 119.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 273 | S | 38.3 | Very low | 36.4 | Very low | 69 Ų | 69 | 105 Ų | 105 | 48% | 0.483 | 56% | 0.558 | S | S | . | * | trans | -65.3 | 154 | -171 | 66.4 | 0 | 0 | 0 | 0 | 111.5 | S271 G275 A276 | S271-S273 PolarHBondContact O-N 3.49Å; S273-G275 PolarHBondContact O-N 2.77Å; S273-A276 WeakPolarHBondContact O-CB 3.5Å; S273-A276 PolarHBondContact O-N 3.05Å | ||
| 274 | T | 35.6 | Very low | 37.2 | Very low | 126 Ų | 126 | 97.5 Ų | 97.5 | 77% | 0.773 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -55.3 | -27 | 179.3 | -41.4 | 0 | 0 | 0 | 0 | 112.5 | F278 | T274-F278 WeakPolarHBondContact O-CB 3.32Å; T274-F278 PolarHBondContact O-N 3.44Å |
| 275 | G | 37.4 | Very low | 38 | Very low | 15 Ų | 15 | 88.6 Ų | 88.6 | 16% | 0.155 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S273 L277 F278 F279 | S273-G275 PolarHBondContact O-N 2.77Å; G275-L277 PolarHBondContact O-N 2.83Å; G275-F278 CarbonylContact O-C 3.38Å; G275-F278 WeakPolarHBondContact O-CB 3.47Å; G275-F278 PolarHBondContact O-N 2.8Å; G275-F278 VanDerWaalsContact O-N 3.15Å; G275-F279 WeakPolarHBondContact O-CD2 3.41Å; G275-F279 PolarHBondContact O-N 3.2Å |
| 276 | A | 37.4 | Very low | 38.9 | Very low | 18 Ų | 18 | 87.1 Ų | 87.1 | 15% | 0.149 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y58 S273 F279 Q280 | Y58-A276 HydrophobicContact CD2-CB 4.07Å; Y58-A276 HydrophobicContact CE1-CB 4.31Å; Y58-A276 HydrophobicContact CE2-CB 3.52Å; Y58-A276 WeakPolarHBondContact OH-CA 3.32Å; S273-A276 WeakPolarHBondContact O-CB 3.5Å; S273-A276 PolarHBondContact O-N 3.05Å; A276-F279 PolarHBondContact O-N 2.75Å; A276-Q280 PolarHBondContact O-N 2.81Å |
| 277 | L | 39.3 | Very low | 39.7 | Very low | 114 Ų | 114 | 86.3 Ų | 86.3 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.2 | -31.8 | 174.2 | -74.5 | 169.2 | 0 | 0 | 0 | 112.3 | G275 K281 | G275-L277 PolarHBondContact O-N 2.83Å; L277-K281 WeakPolarHBondContact O-CB 3.39Å; L277-K281 PolarHBondContact O-N 3.14Å |
| 278 | F | 46.1 | Very low | 41.3 | Very low | 30 Ų | 30 | 84 Ų | 84 | 13% | 0.132 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 169.9 | 175.9 | -106.5 | 0 | 0 | 0 | 111.3 | Q102 M105 T274 G275 Q280 K281 F282 | Q102-F278 HydrophobicContact CB-CE2 3.71Å; Q102-F278 HydrophobicContact CB-CZ 3.61Å; Q102-F278 HydrophobicContact CG-CD2 4.14Å; Q102-F278 HydrophobicContact CG-CE2 3.46Å; Q102-F278 VanDerWaalsContact CG-CE2 3.46Å; Q102-F278 HydrophobicContact CG-CZ 3.86Å; M105-F278 HydrophobicContact CB-CE1 4.46Å; M105-F278 HydrophobicContact CE-CD1 4.13Å; M105-F278 HydrophobicContact CE-CE1 4.23Å; M105-F278 HydrophobicContact CE-CG 4.38Å; T274-F278 WeakPolarHBondContact O-CB 3.32Å; T274-F278 PolarHBondContact O-N 3.44Å; G275-F278 CarbonylContact O-C 3.38Å; G275-F278 WeakPolarHBondContact O-CB 3.47Å; G275-F278 PolarHBondContact O-N 2.8Å; G275-F278 VanDerWaalsContact O-N 3.15Å; F278-Q280 PolarHBondContact O-N 3.36Å; F278-K281 CarbonylContact O-C 3.58Å; F278-K281 WeakPolarHBondContact O-CA 3.47Å; F278-K281 PolarHBondContact O-N 3.32Å; F278-F282 HydrophobicContact CE1-CB 4.43Å; F278-F282 AromaticContact CE1-CD2 3.96Å; F278-F282 HydrophobicContact CE1-CD2 3.96Å; F278-F282 HydrophobicContact CE1-CG 4.34Å; F278-F282 AromaticContact CE2-CD2 3.88Å; F278-F282 HydrophobicContact CE2-CD2 3.88Å; F278-F282 HydrophobicContact CZ-CB 4.41Å; F278-F282 AromaticContact CZ-CD2 3.34Å; F278-F282 HydrophobicContact CZ-CD2 3.34Å; F278-F282 AromaticContact CZ-CE2 3.85Å; F278-F282 HydrophobicContact CZ-CE2 3.85Å; F278-F282 HydrophobicContact CZ-CG 4.14Å; F278-F282 VanDerWaalsContact O-CB 3.28Å; F278-F282 WeakPolarHBondContact O-CB 3.32Å; F278-F282 PolarHBondContact O-N 3.22Å |
| 279 | F | 47.6 | Very low | 42.9 | Very low | 11 Ų | 11 | 81 Ų | 81 | 5% | 0.048 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 177.6 | -77.3 | -67.4 | 0 | 0 | 0 | 112.6 | Y58 Y109 G275 A276 K281 F282 M283 | Y58-F279 WeakPolarHBondContact OH-CD2 3.32Å; Y109-F279 VanDerWaalsContact CB-CZ 3.4Å; Y109-F279 HydrophobicContact CD1-CD1 4.31Å; Y109-F279 AromaticContact CD1-CE1 3.72Å; Y109-F279 HydrophobicContact CD1-CE1 3.72Å; Y109-F279 HydrophobicContact CD1-CZ 4.2Å; Y109-F279 HydrophobicContact CD2-CD1 4.16Å; Y109-F279 HydrophobicContact CD2-CD2 4.13Å; Y109-F279 AromaticContact CD2-CE1 3.6Å; Y109-F279 HydrophobicContact CD2-CE1 3.6Å; Y109-F279 AromaticContact CD2-CE2 3.58Å; Y109-F279 HydrophobicContact CD2-CE2 3.58Å; Y109-F279 HydrophobicContact CD2-CG 4.44Å; Y109-F279 AromaticContact CD2-CZ 3.32Å; Y109-F279 HydrophobicContact CD2-CZ 3.32Å; Y109-F279 HydrophobicContact CE1-CD1 4.32Å; Y109-F279 HydrophobicContact CE1-CE1 4.19Å; Y109-F279 HydrophobicContact CE2-CD1 4.15Å; Y109-F279 HydrophobicContact CE2-CD2 4.14Å; Y109-F279 HydrophobicContact CE2-CE1 4.06Å; Y109-F279 HydrophobicContact CE2-CE2 4.07Å; Y109-F279 HydrophobicContact CE2-CG 4.24Å; Y109-F279 HydrophobicContact CE2-CZ 4.06Å; Y109-F279 HydrophobicContact CG-CD1 4.23Å; Y109-F279 AromaticContact CG-CE1 3.4Å; Y109-F279 HydrophobicContact CG-CE1 3.4Å; Y109-F279 VanDerWaalsContact CG-CE1 3.4Å; Y109-F279 HydrophobicContact CG-CE2 4.15Å; Y109-F279 AromaticContact CG-CZ 3.39Å; Y109-F279 HydrophobicContact CG-CZ 3.39Å; G275-F279 WeakPolarHBondContact O-CD2 3.41Å; G275-F279 PolarHBondContact O-N 3.2Å; A276-F279 PolarHBondContact O-N 2.75Å; F279-K281 VanDerWaalsContact C-N 3.31Å; F279-K281 PolarHBondContact O-N 3.03Å; F279-F282 CarbonylContact O-C 3.6Å; F279-F282 PolarHBondContact O-N 3.5Å; F279-M283 WeakPolarHBondContact O-CB 3.3Å; F279-M283 VanDerWaalsContact O-CG 3.24Å; F279-M283 WeakPolarHBondContact O-CG 3.36Å; F279-M283 PolarHBondContact O-N 3.44Å |
| 280 | Q | 46.5 | Very low | 44.5 | Very low | 132 Ų | 132 | 78.1 Ų | 78.1 | 62% | 0.617 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 169.4 | -170.9 | 173.3 | 3.9 | 0 | 0 | 111.6 | A276 F278 F282 M283 E284 | A276-Q280 PolarHBondContact O-N 2.81Å; F278-Q280 PolarHBondContact O-N 3.36Å; Q280-F282 VanDerWaalsContact C-N 3.3Å; Q280-F282 PolarHBondContact O-N 3.46Å; Q280-M283 PolarHBondContact O-N 3.34Å; Q280-E284 PolarHBondContact O-N 3.41Å |
| 281 | K | 47.3 | Very low | 46.4 | Very low | 152 Ų | 152 | 67.4 Ų | 67.4 | 66% | 0.661 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -80.3 | -6.3 | 177.2 | -151.4 | 171.8 | -172.2 | 173.1 | 0 | 114.6 | L277 F278 F279 E284 | L277-K281 WeakPolarHBondContact O-CB 3.39Å; L277-K281 PolarHBondContact O-N 3.14Å; F278-K281 CarbonylContact O-C 3.58Å; F278-K281 WeakPolarHBondContact O-CA 3.47Å; F278-K281 PolarHBondContact O-N 3.32Å; F279-K281 VanDerWaalsContact C-N 3.31Å; F279-K281 PolarHBondContact O-N 3.03Å; K281-E284 WeakPolarHBondContact CG-OE2 3.43Å |
| 282 | F | 50.6 | Low | 48.1 | Very low | 17 Ų | 17 | 64 Ų | 64 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -103.9 | -21.6 | 173.1 | -154.3 | -86.3 | 0 | 0 | 0 | 111 | F106 F278 F279 Q280 E284 L285 L291 L295 | F106-F282 HydrophobicContact CB-CE1 4.1Å; F106-F282 HydrophobicContact CB-CE2 4.28Å; F106-F282 HydrophobicContact CB-CZ 3.78Å; F106-F282 AromaticContact CD1-CE1 3.93Å; F106-F282 HydrophobicContact CD1-CE1 3.93Å; F106-F282 AromaticContact CD1-CZ 3.82Å; F106-F282 HydrophobicContact CD1-CZ 3.82Å; F106-F282 AromaticContact CD2-CD1 3.73Å; F106-F282 HydrophobicContact CD2-CD1 3.73Å; F106-F282 AromaticContact CD2-CE1 3.15Å; F106-F282 HydrophobicContact CD2-CE1 3.15Å; F106-F282 AromaticContact CD2-CZ 3.73Å; F106-F282 HydrophobicContact CD2-CZ 3.73Å; F106-F282 HydrophobicContact CE1-CE1 4.16Å; F106-F282 HydrophobicContact CE1-CZ 4.38Å; F106-F282 HydrophobicContact CE2-CD1 4.06Å; F106-F282 AromaticContact CE2-CE1 3.44Å; F106-F282 HydrophobicContact CE2-CE1 3.44Å; F106-F282 VanDerWaalsContact CE2-CE1 3.44Å; F106-F282 HydrophobicContact CE2-CZ 4.3Å; F106-F282 HydrophobicContact CG-CD1 4.31Å; F106-F282 AromaticContact CG-CE1 3.42Å; F106-F282 HydrophobicContact CG-CE1 3.42Å; F106-F282 VanDerWaalsContact CG-CE1 3.42Å; F106-F282 HydrophobicContact CG-CE2 4.39Å; F106-F282 AromaticContact CG-CZ 3.45Å; F106-F282 HydrophobicContact CG-CZ 3.45Å; F106-F282 VanDerWaalsContact CG-CZ 3.45Å; F106-F282 AromaticContact CZ-CE1 3.94Å; F106-F282 HydrophobicContact CZ-CE1 3.94Å; F278-F282 HydrophobicContact CE1-CB 4.43Å; F278-F282 AromaticContact CE1-CD2 3.96Å; F278-F282 HydrophobicContact CE1-CD2 3.96Å; F278-F282 HydrophobicContact CE1-CG 4.34Å; F278-F282 AromaticContact CE2-CD2 3.88Å; F278-F282 HydrophobicContact CE2-CD2 3.88Å; F278-F282 HydrophobicContact CZ-CB 4.41Å; F278-F282 AromaticContact CZ-CD2 3.34Å; F278-F282 HydrophobicContact CZ-CD2 3.34Å; F278-F282 AromaticContact CZ-CE2 3.85Å; F278-F282 HydrophobicContact CZ-CE2 3.85Å; F278-F282 HydrophobicContact CZ-CG 4.14Å; F278-F282 VanDerWaalsContact O-CB 3.28Å; F278-F282 WeakPolarHBondContact O-CB 3.32Å; F278-F282 PolarHBondContact O-N 3.22Å; F279-F282 CarbonylContact O-C 3.6Å; F279-F282 PolarHBondContact O-N 3.5Å; Q280-F282 VanDerWaalsContact C-N 3.3Å; Q280-F282 PolarHBondContact O-N 3.46Å; F282-E284 PolarHBondContact O-N 3.33Å; F282-L285 HydrophobicContact CB-CD1 4.41Å; F282-L285 HydrophobicContact CD1-CD1 3.67Å; F282-L285 HydrophobicContact CD1-CD2 4.04Å; F282-L285 HydrophobicContact CD1-CG 4.41Å; F282-L285 HydrophobicContact CD2-CD1 3.72Å; F282-L285 HydrophobicContact CE1-CD1 3.74Å; F282-L285 HydrophobicContact CE1-CD2 3.46Å; F282-L285 VanDerWaalsContact CE1-CD2 3.46Å; F282-L285 HydrophobicContact CE1-CG 4.24Å; F282-L285 HydrophobicContact CE2-CD1 3.83Å; F282-L285 HydrophobicContact CG-CD1 3.66Å; F282-L285 HydrophobicContact CZ-CD1 3.84Å; F282-L285 HydrophobicContact CZ-CD2 3.82Å; F282-L285 VanDerWaalsContact O-CB 3.26Å; F282-L285 WeakPolarHBondContact O-CB 3.4Å; F282-L285 VanDerWaalsContact O-CD1 3.28Å; F282-L285 WeakPolarHBondContact O-CD1 3.3Å; F282-L285 PolarHBondContact O-N 2.91Å; F282-L291 HydrophobicContact CE2-CD2 4.12Å; F282-L295 HydrophobicContact CE1-CD1 4.33Å; F282-L295 HydrophobicContact CZ-CD1 3.86Å |
| 283 | M | 48.2 | Very low | 50.1 | Low | 95 Ų | 95 | 60.8 Ų | 60.8 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -25.3 | 160.6 | -75.6 | -74.3 | -70.7 | 0 | 0 | 111 | M219 F279 Q280 L285 | M219-M283 HydrophobicContact CG-CE 3.63Å; M219-M283 HydrophobicContact CG-SD 3.81Å; F279-M283 WeakPolarHBondContact O-CB 3.3Å; F279-M283 VanDerWaalsContact O-CG 3.24Å; F279-M283 WeakPolarHBondContact O-CG 3.36Å; F279-M283 PolarHBondContact O-N 3.44Å; Q280-M283 PolarHBondContact O-N 3.34Å; M283-L285 PolarHBondContact O-N 3.1Å |
| 284 | E | 49.8 | Very low | 51.8 | Low | 98 Ų | 98 | 58 Ų | 58 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -66.2 | 11.1 | 162.8 | -63.8 | 179.3 | 166.8 | 0 | 0 | 114 | Q280 K281 F282 G286 C287 N288 | Q280-E284 PolarHBondContact O-N 3.41Å; K281-E284 WeakPolarHBondContact CG-OE2 3.43Å; F282-E284 PolarHBondContact O-N 3.33Å; E284-G286 PolarHBondContact O-N 3.24Å; E284-C287 HydrophobicContact CB-CB 4.42Å; E284-C287 WeakPolarHBondContact O-CA 3.47Å; E284-C287 VanDerWaalsContact O-CB 3.22Å; E284-C287 WeakPolarHBondContact O-CB 3.43Å; E284-C287 PolarHBondContact O-N 3.35Å; E284-N288 PolarHBondContact O-N 3.1Å |
| 285 | L | 46.8 | Very low | 53.6 | Low | 21 Ų | 21 | 52.1 Ų | 52.1 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -62.6 | -21.9 | 170.4 | -109.6 | 65.7 | 0 | 0 | 0 | 113.4 | L214 F282 M283 C287 N288 L291 L295 | L214-L285 HydrophobicContact CD2-CD2 4.13Å; F282-L285 HydrophobicContact CB-CD1 4.41Å; F282-L285 HydrophobicContact CD1-CD1 3.67Å; F282-L285 HydrophobicContact CD1-CD2 4.04Å; F282-L285 HydrophobicContact CD1-CG 4.41Å; F282-L285 HydrophobicContact CD2-CD1 3.72Å; F282-L285 HydrophobicContact CE1-CD1 3.74Å; F282-L285 HydrophobicContact CE1-CD2 3.46Å; F282-L285 VanDerWaalsContact CE1-CD2 3.46Å; F282-L285 HydrophobicContact CE1-CG 4.24Å; F282-L285 HydrophobicContact CE2-CD1 3.83Å; F282-L285 HydrophobicContact CG-CD1 3.66Å; F282-L285 HydrophobicContact CZ-CD1 3.84Å; F282-L285 HydrophobicContact CZ-CD2 3.82Å; F282-L285 VanDerWaalsContact O-CB 3.26Å; F282-L285 WeakPolarHBondContact O-CB 3.4Å; F282-L285 VanDerWaalsContact O-CD1 3.28Å; F282-L285 WeakPolarHBondContact O-CD1 3.3Å; F282-L285 PolarHBondContact O-N 2.91Å; M283-L285 PolarHBondContact O-N 3.1Å; L285-C287 PolarHBondContact O-N 2.89Å; L285-N288 PolarHBondContact O-N 3.07Å; L285-L291 HydrophobicContact CD1-CD2 3.73Å; L285-L291 HydrophobicContact CD1-CG 4.21Å; L285-L291 HydrophobicContact CD2-CG 4.48Å; L285-L291 HydrophobicContact CG-CD2 4.42Å; L285-L291 HydrophobicContact CG-CG 4.38Å; L285-L295 HydrophobicContact CD2-CD1 3.57Å |
| 286 | G | 45.3 | Very low | 55.6 | Low | 62 Ų | 62 | 52.2 Ų | 52.2 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -59.7 | -29 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E284 | E284-G286 PolarHBondContact O-N 3.24Š|
| 287 | C | 45.8 | Very low | 57.5 | Low | 101 Ų | 101 | 52.7 Ų | 52.7 | 68% | 0.682 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -87.9 | -8.3 | 179.3 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | E284 L285 | E284-C287 HydrophobicContact CB-CB 4.42Å; E284-C287 WeakPolarHBondContact O-CA 3.47Å; E284-C287 VanDerWaalsContact O-CB 3.22Å; E284-C287 WeakPolarHBondContact O-CB 3.43Å; E284-C287 PolarHBondContact O-N 3.35Å; L285-C287 PolarHBondContact O-N 2.89Å |
| 288 | N | 57.7 | Low | 59.4 | Low | 82 Ų | 82 | 48 Ų | 48 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | trans | -130.4 | 73.6 | -172.5 | -140.4 | -39.7 | 0 | 0 | 0 | 112.5 | E284 L285 S290 L291 S292 | E284-N288 PolarHBondContact O-N 3.1Å; L285-N288 PolarHBondContact O-N 3.07Å; N288-S290 PolarHBondContact O-N 2.92Å; N288-S290 VanDerWaalsContact O-N 3.09Å; N288-L291 PolarHBondContact O-N 2.73Å; N288-S292 PolarHBondContact O-N 3.48Å | ||
| 289 | P | 64.8 | Low | 61 | Low | 60 Ų | 60 | 48 Ų | 48 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -22.7 | -169 | 25.1 | -35.4 | 0 | 0 | 0 | 114 | S292 S293 T945 | P289-S292 WeakPolarHBondContact CA-OG 3.26Å; P289-S292 PolarHBondContact O-OG 3.05Å; P289-S293 WeakPolarHBondContact O-CB 3.25Å; P289-S293 PolarHBondContact O-N 3.13Å; P289-S293 PolarHBondContact O-OG 3.12Å; P289-T945 HydrophobicContact CB-CG2 3.98Å; P289-T945 HydrophobicContact CG-CG2 3.95Å |
| 290 | S | 62.5 | Low | 62.5 | Low | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.3 | -50.4 | 0 | 0 | 0 | 0 | 111.7 | N288 F294 F942 T945 Y946 S949 | N288-S290 PolarHBondContact O-N 2.92Å; N288-S290 VanDerWaalsContact O-N 3.09Å; S290-F294 WeakPolarHBondContact O-CB 3.42Å; S290-F294 PolarHBondContact O-N 3.43Å; S290-F294 VanDerWaalsContact O-N 3.14Å; S290-F942 WeakPolarHBondContact O-CD2 3.37Å; S290-T945 VanDerWaalsContact OG-C 3.22Å; S290-T945 WeakPolarHBondContact OG-CG2 3.43Å; S290-T945 PolarHBondContact OG-O 2.74Å; S290-Y946 PolarHBondContact OG-N 3.32Å; S290-S949 PolarHBondContact OG-OG 2.93Å |
| 291 | L | 66.5 | Low | 64.1 | Low | 38 Ų | 38 | 42.4 Ų | 42.4 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -79.3 | -40.9 | -175.8 | -178.5 | 52.2 | 0 | 0 | 0 | 112.1 | F99 F282 L285 N288 F294 L295 | F99-L291 HydrophobicContact CE2-CD1 3.98Å; F99-L291 HydrophobicContact CZ-CD1 4.5Å; F282-L291 HydrophobicContact CE2-CD2 4.12Å; L285-L291 HydrophobicContact CD1-CD2 3.73Å; L285-L291 HydrophobicContact CD1-CG 4.21Å; L285-L291 HydrophobicContact CD2-CG 4.48Å; L285-L291 HydrophobicContact CG-CD2 4.42Å; L285-L291 HydrophobicContact CG-CG 4.38Å; N288-L291 PolarHBondContact O-N 2.73Å; L291-F294 HydrophobicContact CD1-CD1 4.43Å; L291-F294 PolarHBondContact O-N 2.86Å; L291-L295 HydrophobicContact CD1-CD1 4.19Å; L291-L295 HydrophobicContact CD1-CG 4.3Å; L291-L295 HydrophobicContact CG-CD1 4.14Å; L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 3.42Å |
| 292 | S | 67.8 | Low | 65.4 | Low | 25 Ų | 25 | 36 Ų | 36 | 18% | 0.175 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | N288 P289 F294 L295 I296 | N288-S292 PolarHBondContact O-N 3.48Å; P289-S292 WeakPolarHBondContact CA-OG 3.26Å; P289-S292 PolarHBondContact O-OG 3.05Å; S292-F294 VanDerWaalsContact C-N 3.34Å; S292-F294 PolarHBondContact O-N 2.87Å; S292-L295 PolarHBondContact O-N 3.37Å; S292-I296 WeakPolarHBondContact O-CB 3.16Å; S292-I296 WeakPolarHBondContact O-CD1 3.49Å; S292-I296 WeakPolarHBondContact O-CG1 3.35Å; S292-I296 PolarHBondContact O-N 3.42Å |
| 293 | S | 70.2 | Confident | 66.5 | Low | 7 Ų | 7 | 37.2 Ų | 37.2 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.3 | -49.4 | 170.9 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | P289 I296 E297 Y1050 | P289-S293 WeakPolarHBondContact O-CB 3.25Å; P289-S293 PolarHBondContact O-N 3.13Å; P289-S293 PolarHBondContact O-OG 3.12Å; S293-I296 PolarHBondContact O-N 2.93Å; S293-E297 WeakPolarHBondContact O-CB 3.48Å; S293-E297 PolarHBondContact O-N 3.06Å; S293-Y1050 WeakPolarHBondContact CB-OH 3.15Å; S293-Y1050 WeakPolarHBondContact OG-CE2 3.2Å; S293-Y1050 PolarHBondContact OG-OH 3.05Å |
| 294 | F | 75.5 | Confident | 68.1 | Low | 9 Ų | 9 | 35.2 Ų | 35.2 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | -178.3 | 179.7 | -104.2 | 0 | 0 | 0 | 112.9 | I86 W89 F99 L103 S290 L291 S292 E297 I298 F942 | I86-F294 HydrophobicContact CG1-CZ 4.38Å; W89-F294 HydrophobicContact CH2-CE2 4.34Å; W89-F294 HydrophobicContact CH2-CZ 4.25Å; W89-F294 AromaticContact CZ2-CE2 3.74Å; W89-F294 HydrophobicContact CZ2-CE2 3.74Å; W89-F294 AromaticContact CZ2-CZ 3.52Å; W89-F294 HydrophobicContact CZ2-CZ 3.52Å; F99-F294 HydrophobicContact CE1-CE1 4.02Å; F99-F294 HydrophobicContact CE1-CZ 4.43Å; F99-F294 HydrophobicContact CZ-CD1 4.01Å; F99-F294 AromaticContact CZ-CE1 3.58Å; F99-F294 HydrophobicContact CZ-CE1 3.58Å; F99-F294 HydrophobicContact CZ-CZ 4.33Å; L103-F294 HydrophobicContact CD2-CE1 4.47Å; S290-F294 WeakPolarHBondContact O-CB 3.42Å; S290-F294 PolarHBondContact O-N 3.43Å; S290-F294 VanDerWaalsContact O-N 3.14Å; L291-F294 HydrophobicContact CD1-CD1 4.43Å; L291-F294 PolarHBondContact O-N 2.86Å; S292-F294 VanDerWaalsContact C-N 3.34Å; S292-F294 PolarHBondContact O-N 2.87Å; F294-E297 PolarHBondContact O-N 3.41Å; F294-I298 HydrophobicContact CD1-CD1 3.98Å; F294-I298 HydrophobicContact CD2-CD1 4.42Å; F294-I298 HydrophobicContact CE1-CD1 3.3Å; F294-I298 HydrophobicContact CE2-CD1 3.82Å; F294-I298 HydrophobicContact CG-CD1 4.48Å; F294-I298 HydrophobicContact CZ-CD1 3.19Å; F294-I298 HydrophobicContact CZ-CG1 4.31Å; F294-I298 PolarHBondContact O-N 3.31Å; F294-F942 HydrophobicContact CB-CD2 3.75Å; F294-F942 HydrophobicContact CB-CE2 4.29Å; F294-F942 HydrophobicContact CB-CG 4.46Å; F294-F942 HydrophobicContact CD2-CB 4.45Å; F294-F942 HydrophobicContact CD2-CD2 4.09Å; F294-F942 HydrophobicContact CD2-CG 4.15Å; F294-F942 HydrophobicContact CG-CD2 4.18Å; F294-F942 HydrophobicContact CG-CE2 4.49Å |
| 295 | L | 73.6 | Confident | 69.6 | Low | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -43.9 | 175.8 | -72.2 | 164.9 | 0 | 0 | 0 | 112.3 | L103 F106 L214 F282 L285 L291 S292 E297 I298 L299 | L103-L295 HydrophobicContact CD1-CD2 3.46Å; L103-L295 VanDerWaalsContact CD1-CD2 3.46Å; F106-L295 HydrophobicContact CD1-CD1 4.35Å; F106-L295 HydrophobicContact CD1-CD2 4.02Å; F106-L295 HydrophobicContact CE1-CD1 4.12Å; F106-L295 HydrophobicContact CE1-CD2 4.09Å; L214-L295 HydrophobicContact CD1-CB 4.09Å; L214-L295 HydrophobicContact CD1-CD1 4.33Å; L214-L295 HydrophobicContact CD2-CB 4.14Å; L214-L295 HydrophobicContact CD2-CD1 4.27Å; F282-L295 HydrophobicContact CE1-CD1 4.33Å; F282-L295 HydrophobicContact CZ-CD1 3.86Å; L285-L295 HydrophobicContact CD2-CD1 3.57Å; L291-L295 HydrophobicContact CD1-CD1 4.19Å; L291-L295 HydrophobicContact CD1-CG 4.3Å; L291-L295 HydrophobicContact CG-CD1 4.14Å; L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 3.42Å; S292-L295 PolarHBondContact O-N 3.37Å; L295-E297 PolarHBondContact O-N 2.85Å; L295-I298 PolarHBondContact O-N 2.96Å; L295-L299 VanDerWaalsContact O-CB 3.28Å; L295-L299 WeakPolarHBondContact O-CB 3.32Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.49Å; L295-L299 PolarHBondContact O-N 3.08Å |
| 296 | I | 78.7 | Confident | 71.2 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.8 | -42.9 | 173.7 | -70.3 | 160 | 0 | 0 | 0 | 109.9 | R207 V210 N211 L214 S292 S293 S300 | R207-I296 HydrophobicContact CB-CG2 3.98Å; R207-I296 HydrophobicContact CG-CG2 3.99Å; V210-I296 HydrophobicContact CG1-CB 4.39Å; V210-I296 HydrophobicContact CG1-CG1 4.07Å; N211-I296 HydrophobicContact CB-CD1 3.87Å; N211-I296 HydrophobicContact CB-CG1 4.3Å; N211-I296 VanDerWaalsContact OD1-CD1 3.22Å; N211-I296 WeakPolarHBondContact OD1-CD1 3.41Å; L214-I296 HydrophobicContact CD2-CG1 4.42Å; S292-I296 WeakPolarHBondContact O-CB 3.16Å; S292-I296 WeakPolarHBondContact O-CD1 3.49Å; S292-I296 WeakPolarHBondContact O-CG1 3.35Å; S292-I296 PolarHBondContact O-N 3.42Å; S293-I296 PolarHBondContact O-N 2.93Å; I296-S300 WeakPolarHBondContact O-CB 3.31Å; I296-S300 PolarHBondContact O-N 3.3Å; I296-S300 PolarHBondContact O-OG 3.41Å |
| 297 | E | 77.8 | Confident | 72.7 | Confident | 28 Ų | 28 | 29.8 Ų | 29.8 | 13% | 0.131 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -49.7 | -178.2 | -159.8 | 56.5 | -103.5 | 0 | 0 | 113 | R207 S293 F294 L295 S300 T301 F938 | R207-E297 VanDerWaalsContact CZ-CD 3.46Å; R207-E297 IonicContact CZ-OE1 2.64Å; R207-E297 IonicContact CZ-OE2 3.27Å; R207-E297 IonicContact NE-OE1 2.65Å; R207-E297 PolarHBondContact NE-OE1 3.17Å; R207-E297 IonicContact NE-OE2 3.9Å; R207-E297 PolarHBondContact NE-OE2 3.13Å; R207-E297 IonicContact NH1-OE2 3.24Å; R207-E297 VanDerWaalsContact NH2-CD 3.25Å; R207-E297 IonicContact NH2-OE1 3.12Å; R207-E297 PolarHBondContact NH2-OE1 3.38Å; R207-E297 IonicContact NH2-OE2 2.78Å; R207-E297 PolarHBondContact NH2-OE2 2.89Å; R207-E297 VanDerWaalsContact NH2-OE2 3.17Å; S293-E297 WeakPolarHBondContact O-CB 3.48Å; S293-E297 PolarHBondContact O-N 3.06Å; F294-E297 PolarHBondContact O-N 3.41Å; L295-E297 PolarHBondContact O-N 2.85Å; E297-S300 PolarHBondContact O-OG 3.04Å; E297-T301 PolarHBondContact O-N 3.28Å; E297-T301 PolarHBondContact O-OG1 3.39Å; E297-T301 WeakPolarHBondContact OE1-CG2 3.2Å; E297-T301 PolarHBondContact OE1-OG1 3.14Å; E297-F938 HydrophobicContact CG-CB 3.6Å; E297-F938 HydrophobicContact CG-CD2 4.49Å; E297-F938 HydrophobicContact CG-CG 4.42Å; E297-F938 WeakPolarHBondContact OE1-CD2 3.4Å; E297-F938 WeakPolarHBondContact OE2-CB 3.34Å |
| 298 | I | 78.5 | Confident | 74.5 | Confident | 17 Ų | 17 | 25.3 Ų | 25.3 | 9% | 0.087 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -61.5 | -50.7 | 177 | -74.6 | 168.8 | 0 | 0 | 0 | 111.4 | L81 I86 F294 L295 S300 C302 V303 | L81-I298 HydrophobicContact CD2-CG2 4.17Å; I86-I298 HydrophobicContact CD1-CD1 4.03Å; I86-I298 HydrophobicContact CG1-CD1 4Å; F294-I298 HydrophobicContact CD1-CD1 3.98Å; F294-I298 HydrophobicContact CD2-CD1 4.42Å; F294-I298 HydrophobicContact CE1-CD1 3.3Å; F294-I298 HydrophobicContact CE2-CD1 3.82Å; F294-I298 HydrophobicContact CG-CD1 4.48Å; F294-I298 HydrophobicContact CZ-CD1 3.19Å; F294-I298 HydrophobicContact CZ-CG1 4.31Å; F294-I298 PolarHBondContact O-N 3.31Å; L295-I298 PolarHBondContact O-N 2.96Å; I298-S300 VanDerWaalsContact C-N 3.32Å; I298-S300 PolarHBondContact O-N 2.85Å; I298-C302 HydrophobicContact CG2-CB 4.27Å; I298-C302 WeakPolarHBondContact O-CA 3.41Å; I298-C302 VanDerWaalsContact O-CB 3.25Å; I298-C302 WeakPolarHBondContact O-CB 3.25Å; I298-C302 PolarHBondContact O-N 3.29Å; I298-V303 HydrophobicContact CG2-CG2 4.42Å; I298-V303 PolarHBondContact O-N 3.05Å |
| 299 | L | 79.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 24.1 Ų | 24.1 | 15% | 0.152 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -66.2 | -37.6 | -174.7 | -68.1 | 171.1 | 0 | 0 | 0 | 110.9 | L107 V210 L214 L295 V303 L304 | L107-L299 HydrophobicContact CD2-CD2 4Å; V210-L299 HydrophobicContact CG1-CB 3.92Å; V210-L299 HydrophobicContact CG1-CD1 3.87Å; V210-L299 HydrophobicContact CG2-CB 3.93Å; L214-L299 HydrophobicContact CD1-CD1 4.19Å; L295-L299 VanDerWaalsContact O-CB 3.28Å; L295-L299 WeakPolarHBondContact O-CB 3.32Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.49Å; L295-L299 PolarHBondContact O-N 3.08Å; L299-V303 HydrophobicContact CD2-CG2 4.42Å; L299-L304 WeakPolarHBondContact O-CB 3Å; L299-L304 VanDerWaalsContact O-CG 3.24Å; L299-L304 WeakPolarHBondContact O-CG 3.06Å; L299-L304 PolarHBondContact O-N 3.07Å |
| 300 | S | 80.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -72.2 | -52.3 | 175.8 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | R207 I296 E297 I298 L305 | R207-S300 WeakPolarHBondContact CG-OG 3.45Å; I296-S300 WeakPolarHBondContact O-CB 3.31Å; I296-S300 PolarHBondContact O-N 3.3Å; I296-S300 PolarHBondContact O-OG 3.41Å; E297-S300 PolarHBondContact O-OG 3.04Å; I298-S300 VanDerWaalsContact C-N 3.32Å; I298-S300 PolarHBondContact O-N 2.85Å; S300-L305 WeakPolarHBondContact O-CB 3.18Å; S300-L305 PolarHBondContact O-N 2.79Å |
| 301 | T | 79.6 | Confident | 76.9 | Confident | 25 Ų | 25 | 25.2 Ų | 25.2 | 15% | 0.153 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -96.7 | -26.1 | -168.3 | 62.1 | 0 | 0 | 0 | 0 | 115.8 | V203 E297 P306 F938 | V203-T301 HydrophobicContact CG1-CG2 3.8Å; V203-T301 HydrophobicContact CG2-CG2 4.35Å; E297-T301 PolarHBondContact O-N 3.28Å; E297-T301 PolarHBondContact O-OG1 3.39Å; E297-T301 WeakPolarHBondContact OE1-CG2 3.2Å; E297-T301 PolarHBondContact OE1-OG1 3.14Å; T301-P306 WeakPolarHBondContact O-CD 3.25Å; T301-F938 HydrophobicContact CG2-CD2 3.96Å; T301-F938 HydrophobicContact CG2-CE2 3.81Å |
| 302 | C | 73.5 | Confident | 77.7 | Confident | 18 Ų | 18 | 23.5 Ų | 23.5 | 12% | 0.122 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -97.1 | -23.3 | 179.4 | -53.2 | 0 | 0 | 0 | 0 | 113 | Y85 I298 | Y85-C302 HydrophobicContact CD1-CB 3.71Å; Y85-C302 WeakPolarHBondContact CD1-SG 3.39Å; Y85-C302 HydrophobicContact CD2-CB 4.31Å; Y85-C302 HydrophobicContact CE1-CB 3.79Å; Y85-C302 HydrophobicContact CE2-CB 4.39Å; Y85-C302 HydrophobicContact CG-CB 3.98Å; I298-C302 HydrophobicContact CG2-CB 4.27Å; I298-C302 WeakPolarHBondContact O-CA 3.41Å; I298-C302 VanDerWaalsContact O-CB 3.25Å; I298-C302 WeakPolarHBondContact O-CB 3.25Å; I298-C302 PolarHBondContact O-N 3.29Å |
| 303 | V | 74.7 | Confident | 78.3 | Confident | 41 Ų | 41 | 24.8 Ų | 24.8 | 25% | 0.248 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -113.8 | -65.7 | -176.3 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | L81 I298 L299 P306 A307 | L81-V303 HydrophobicContact CD1-CG2 3.6Å; L81-V303 HydrophobicContact CG-CG2 4.32Å; I298-V303 HydrophobicContact CG2-CG2 4.42Å; I298-V303 PolarHBondContact O-N 3.05Å; L299-V303 HydrophobicContact CD2-CG2 4.42Å; V303-P306 WeakPolarHBondContact O-CD 3.42Å; V303-A307 VanDerWaalsContact O-CB 3.24Å; V303-A307 WeakPolarHBondContact O-CB 3.16Å; V303-A307 PolarHBondContact O-N 3.26Å; V303-A307 VanDerWaalsContact O-N 3.14Å |
| 304 | L | 81.3 | Confident | 78.8 | Confident | 53 Ų | 53 | 25.2 Ų | 25.2 | 28% | 0.277 | 14% | 0.142 | S | C | . | . | I | π-helix | trans | -68.4 | -44 | -173.5 | -69.3 | 170.8 | 0 | 0 | 0 | 112.3 | L206 V210 L299 A307 M308 | L206-L304 HydrophobicContact CD1-CB 4.07Å; L206-L304 HydrophobicContact CD2-CB 4.1Å; L206-L304 HydrophobicContact CD2-CD1 4.36Å; V210-L304 HydrophobicContact CG2-CD1 3.51Å; L299-L304 WeakPolarHBondContact O-CB 3Å; L299-L304 VanDerWaalsContact O-CG 3.24Å; L299-L304 WeakPolarHBondContact O-CG 3.06Å; L299-L304 PolarHBondContact O-N 3.07Å; L304-A307 PolarHBondContact O-N 3.44Å; L304-M308 VanDerWaalsContact O-CG 3.29Å; L304-M308 WeakPolarHBondContact O-CG 3.4Å; L304-M308 PolarHBondContact O-N 3.21Å |
| 305 | L | 82.5 | Confident | 78.8 | Confident | 14 Ų | 14 | 26.3 Ų | 26.3 | 7% | 0.073 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | -177.2 | -171.9 | 80.7 | 0 | 0 | 0 | 112.5 | E202 V203 L206 S300 M308 D309 | E202-L305 HydrophobicContact CB-CD1 4.34Å; E202-L305 VanDerWaalsContact CD-CD1 3.44Å; E202-L305 HydrophobicContact CG-CD1 3.77Å; E202-L305 WeakPolarHBondContact OE1-CD1 3.46Å; V203-L305 HydrophobicContact CG2-CD1 3.81Å; V203-L305 HydrophobicContact CG2-CD2 3.71Å; V203-L305 HydrophobicContact CG2-CG 4.4Å; L206-L305 HydrophobicContact CD1-CB 3.84Å; L206-L305 HydrophobicContact CD1-CD1 3.75Å; L206-L305 HydrophobicContact CD1-CG 4.45Å; S300-L305 WeakPolarHBondContact O-CB 3.18Å; S300-L305 PolarHBondContact O-N 2.79Å; L305-M308 PolarHBondContact O-N 2.88Å; L305-D309 PolarHBondContact O-N 2.72Å |
| 306 | P | 79.4 | Confident | 78.8 | Confident | 30 Ų | 30 | 26.7 Ų | 26.7 | 20% | 0.195 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 171.7 | -23 | 35.7 | 0 | 0 | 0 | 113.3 | T301 V303 M308 D309 I310 | T301-P306 WeakPolarHBondContact O-CD 3.25Å; V303-P306 WeakPolarHBondContact O-CD 3.42Å; P306-M308 PolarHBondContact O-N 3.16Å; P306-D309 PolarHBondContact O-N 3.48Å; P306-I310 WeakPolarHBondContact O-CD1 3.49Å; P306-I310 VanDerWaalsContact O-CG1 3.31Å; P306-I310 WeakPolarHBondContact O-CG1 3.43Å; P306-I310 PolarHBondContact O-N 3.17Å |
| 307 | A | 77.4 | Confident | 78.7 | Confident | 23 Ų | 23 | 26.9 Ų | 26.9 | 19% | 0.19 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | V303 L304 D309 I310 L311 I1370 | V303-A307 VanDerWaalsContact O-CB 3.24Å; V303-A307 WeakPolarHBondContact O-CB 3.16Å; V303-A307 PolarHBondContact O-N 3.26Å; V303-A307 VanDerWaalsContact O-N 3.14Å; L304-A307 PolarHBondContact O-N 3.44Å; A307-D309 VanDerWaalsContact C-N 3.34Å; A307-D309 PolarHBondContact O-N 3.46Å; A307-I310 PolarHBondContact O-N 2.97Å; A307-L311 WeakPolarHBondContact O-CB 3.18Å; A307-L311 VanDerWaalsContact O-CG 3.26Å; A307-L311 WeakPolarHBondContact O-CG 3.1Å; A307-L311 PolarHBondContact O-N 3.5Å; A307-I1370 HydrophobicContact CB-CD1 4.48Å |
| 308 | M | 82.5 | Confident | 78.9 | Confident | 8 Ų | 8 | 25.6 Ų | 25.6 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66 | -34.2 | 176.6 | -67.6 | -61 | -68.9 | 0 | 0 | 112.6 | L304 L305 P306 L311 A312 T1433 Y1434 L1437 | L304-M308 VanDerWaalsContact O-CG 3.29Å; L304-M308 WeakPolarHBondContact O-CG 3.4Å; L304-M308 PolarHBondContact O-N 3.21Å; L305-M308 PolarHBondContact O-N 2.88Å; P306-M308 PolarHBondContact O-N 3.16Å; M308-L311 HydrophobicContact SD-CD1 4.14Å; M308-A312 VanDerWaalsContact O-CB 3.3Å; M308-A312 WeakPolarHBondContact O-CB 3.18Å; M308-A312 PolarHBondContact O-N 3.4Å; M308-T1433 HydrophobicContact CE-CG2 3.47Å; M308-T1433 VanDerWaalsContact CE-CG2 3.47Å; M308-T1433 HydrophobicContact SD-CG2 3.88Å; M308-Y1434 HydrophobicContact CE-CD1 3.72Å; M308-Y1434 HydrophobicContact CE-CD2 3.78Å; M308-Y1434 HydrophobicContact CE-CE1 3.65Å; M308-Y1434 HydrophobicContact CE-CE2 3.7Å; M308-Y1434 HydrophobicContact CE-CG 3.76Å; M308-Y1434 HydrophobicContact CG-CE1 4.44Å; M308-L1437 HydrophobicContact CE-CD2 4.17Å; M308-L1437 HydrophobicContact SD-CD2 4.15Å |
| 309 | D | 83.5 | Confident | 78.6 | Confident | 57 Ų | 57 | 26.6 Ų | 26.6 | 31% | 0.305 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -68 | -35 | 172.7 | -70.3 | -35.4 | 0 | 0 | 0 | 112.7 | R199 L305 P306 A307 N313 K1430 | R199-D309 IonicContact CZ-OD1 2.86Å; R199-D309 IonicContact CZ-OD2 2.82Å; R199-D309 VanDerWaalsContact CZ-OD2 3.24Å; R199-D309 VanDerWaalsContact NH1-CG 3.32Å; R199-D309 IonicContact NH1-OD1 2.76Å; R199-D309 PolarHBondContact NH1-OD1 2.89Å; R199-D309 IonicContact NH1-OD2 2.7Å; R199-D309 PolarHBondContact NH1-OD2 3.31Å; R199-D309 IonicContact NH2-OD2 3.18Å; R199-D309 PolarHBondContact NH2-OD2 3.15Å; L305-D309 PolarHBondContact O-N 2.72Å; P306-D309 PolarHBondContact O-N 3.48Å; A307-D309 VanDerWaalsContact C-N 3.34Å; A307-D309 PolarHBondContact O-N 3.46Å; D309-N313 PolarHBondContact O-N 3.35Å; D309-K1430 IonicContact OD1-NZ 3.58Å; D309-K1430 PolarHBondContact OD1-NZ 2.99Å |
| 310 | I | 75.9 | Confident | 78.2 | Confident | 20 Ų | 20 | 27.8 Ų | 27.8 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -75.1 | -44.8 | 178 | -68.4 | 161 | 0 | 0 | 0 | 111.2 | P306 A307 A312 N313 F316 N1369 I1370 | P306-I310 WeakPolarHBondContact O-CD1 3.49Å; P306-I310 VanDerWaalsContact O-CG1 3.31Å; P306-I310 WeakPolarHBondContact O-CG1 3.43Å; P306-I310 PolarHBondContact O-N 3.17Å; A307-I310 PolarHBondContact O-N 2.97Å; I310-A312 PolarHBondContact O-N 3.23Å; I310-N313 VanDerWaalsContact O-CB 3.27Å; I310-N313 WeakPolarHBondContact O-CB 3.45Å; I310-N313 PolarHBondContact O-N 3.28Å; I310-F316 HydrophobicContact CG2-CD1 4.44Å; I310-F316 HydrophobicContact CG2-CD2 4Å; I310-F316 HydrophobicContact CG2-CE2 4.32Å; I310-F316 HydrophobicContact CG2-CG 4.08Å; I310-F316 WeakPolarHBondContact O-CB 3.45Å; I310-N1369 HydrophobicContact CD1-CB 3.83Å; I310-N1369 HydrophobicContact CG1-CB 4.17Å; I310-N1369 HydrophobicContact CG2-CB 4.05Å; I310-I1370 HydrophobicContact CD1-CB 4.26Å; I310-I1370 HydrophobicContact CD1-CG1 3.42Å; I310-I1370 VanDerWaalsContact CD1-CG1 3.42Å |
| 311 | L | 77.6 | Confident | 77.9 | Confident | 66 Ų | 66 | 28.6 Ų | 28.6 | 35% | 0.346 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.7 | -35.1 | 175.1 | -71.9 | 167.8 | 0 | 0 | 0 | 111.9 | A307 M308 F316 T1433 | A307-L311 WeakPolarHBondContact O-CB 3.18Å; A307-L311 VanDerWaalsContact O-CG 3.26Å; A307-L311 WeakPolarHBondContact O-CG 3.1Å; A307-L311 PolarHBondContact O-N 3.5Å; M308-L311 HydrophobicContact SD-CD1 4.14Å; L311-F316 HydrophobicContact CD2-CE1 3.99Å; L311-T1433 HydrophobicContact CB-CG2 3.96Å; L311-T1433 HydrophobicContact CD1-CG2 4Å |
| 312 | A | 82.4 | Confident | 77.6 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M308 I310 S314 S1426 N1429 K1430 | M308-A312 VanDerWaalsContact O-CB 3.3Å; M308-A312 WeakPolarHBondContact O-CB 3.18Å; M308-A312 PolarHBondContact O-N 3.4Å; I310-A312 PolarHBondContact O-N 3.23Å; A312-S314 PolarHBondContact O-N 2.91Å; A312-S1426 VanDerWaalsContact O-CA 3.22Å; A312-S1426 WeakPolarHBondContact O-CA 3.45Å; A312-S1426 VanDerWaalsContact O-CB 3.23Å; A312-S1426 WeakPolarHBondContact O-CB 3.33Å; A312-N1429 HydrophobicContact CB-CB 4.46Å; A312-N1429 WeakPolarHBondContact O-CB 3.28Å; A312-N1429 PolarHBondContact O-ND2 3.39Å; A312-K1430 HydrophobicContact CB-CB 3.72Å; A312-K1430 HydrophobicContact CB-CD 4.34Å; A312-K1430 HydrophobicContact CB-CG 4.15Å |
| 313 | N | 80.4 | Confident | 77.3 | Confident | 52 Ų | 52 | 29 Ų | 29 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | trans | -68.8 | 127.5 | -172.8 | -176.9 | -3.2 | 0 | 0 | 0 | 111.7 | D309 I310 D315 F316 V317 | D309-N313 PolarHBondContact O-N 3.35Å; I310-N313 VanDerWaalsContact O-CB 3.27Å; I310-N313 WeakPolarHBondContact O-CB 3.45Å; I310-N313 PolarHBondContact O-N 3.28Å; N313-D315 PolarHBondContact O-N 3.38Å; N313-D315 VanDerWaalsContact O-N 3.07Å; N313-D315 PolarHBondContact OD1-N 3.3Å; N313-D315 VanDerWaalsContact OD1-N 3.08Å; N313-F316 HydrophobicContact CB-CB 4.17Å; N313-F316 PolarHBondContact O-N 3.39Å; N313-V317 PolarHBondContact O-N 2.93Å | ||
| 314 | S | 80 | Confident | 76.9 | Confident | 15 Ų | 15 | 28.9 Ų | 28.9 | 11% | 0.105 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -48.9 | -37.7 | 176.1 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | A312 N318 | A312-S314 PolarHBondContact O-N 2.91Å; S314-N318 VanDerWaalsContact O-CB 3.28Å; S314-N318 WeakPolarHBondContact O-CB 3.35Å; S314-N318 PolarHBondContact O-N 2.9Å; S314-N318 PolarHBondContact O-ND2 3.17Å; S314-N318 VanDerWaalsContact O-ND2 3.14Å |
| 315 | D | 75.1 | Confident | 76.2 | Confident | 33 Ų | 33 | 28.4 Ų | 28.4 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -78.3 | -29.6 | -174.1 | -59.2 | -7 | 0 | 0 | 0 | 111.8 | N313 H319 K1382 | N313-D315 PolarHBondContact O-N 3.38Å; N313-D315 VanDerWaalsContact O-N 3.07Å; N313-D315 PolarHBondContact OD1-N 3.3Å; N313-D315 VanDerWaalsContact OD1-N 3.08Å; D315-H319 WeakPolarHBondContact O-CB 3.44Å; D315-H319 PolarHBondContact O-N 3.2Å; D315-H319 VanDerWaalsContact O-N 3.11Å; D315-K1382 WeakPolarHBondContact OD1-CE 3.45Å; D315-K1382 IonicContact OD1-NZ 2.76Å; D315-K1382 PolarHBondContact OD1-NZ 3Å; D315-K1382 WeakPolarHBondContact OD2-CD 3.47Å; D315-K1382 WeakPolarHBondContact OD2-CE 3.25Å; D315-K1382 IonicContact OD2-NZ 3.26Å; D315-K1382 PolarHBondContact OD2-NZ 3.19Å |
| 316 | F | 73.8 | Confident | 75.1 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 4% | 0.044 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75.5 | -40.9 | 173.1 | -172.2 | -100.5 | 0 | 0 | 0 | 110.6 | I310 L311 N313 H319 L320 N1365 I1366 | I310-F316 HydrophobicContact CG2-CD1 4.44Å; I310-F316 HydrophobicContact CG2-CD2 4Å; I310-F316 HydrophobicContact CG2-CE2 4.32Å; I310-F316 HydrophobicContact CG2-CG 4.08Å; I310-F316 WeakPolarHBondContact O-CB 3.45Å; L311-F316 HydrophobicContact CD2-CE1 3.99Å; N313-F316 HydrophobicContact CB-CB 4.17Å; N313-F316 PolarHBondContact O-N 3.39Å; F316-H319 WeakPolarHBondContact O-CB 3.33Å; F316-H319 PolarHBondContact O-N 2.76Å; F316-L320 HydrophobicContact CD1-CD1 3.91Å; F316-L320 HydrophobicContact CD1-CG 4.2Å; F316-L320 HydrophobicContact CE1-CD1 3.59Å; F316-L320 HydrophobicContact CE1-CD2 4.3Å; F316-L320 HydrophobicContact CE1-CG 3.93Å; F316-L320 HydrophobicContact CZ-CD1 4.43Å; F316-L320 HydrophobicContact CZ-CD2 4.35Å; F316-L320 HydrophobicContact CZ-CG 4.38Å; F316-L320 WeakPolarHBondContact O-CG 3.3Å; F316-L320 PolarHBondContact O-N 2.75Å; F316-N1365 HydrophobicContact CE2-CB 4.27Å; F316-I1366 HydrophobicContact CE2-CG1 4.36Å; F316-I1366 HydrophobicContact CZ-CG1 4.03Å |
| 317 | V | 78.1 | Confident | 73.9 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 172.8 | 174 | 0 | 0 | 0 | 0 | 111.2 | N313 H319 L320 I321 | N313-V317 PolarHBondContact O-N 2.93Å; V317-H319 VanDerWaalsContact C-N 3.25Å; V317-H319 PolarHBondContact O-N 2.93Å; V317-L320 PolarHBondContact O-N 3.03Å; V317-I321 HydrophobicContact CG1-CD1 3.92Å; V317-I321 WeakPolarHBondContact O-CD1 3.47Å; V317-I321 VanDerWaalsContact O-CG1 3.29Å; V317-I321 WeakPolarHBondContact O-CG1 3.32Å; V317-I321 PolarHBondContact O-N 2.67Å |
| 318 | N | 80.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -34 | 174.2 | -71.4 | -24.8 | 0 | 0 | 0 | 112.3 | S314 L322 A1389 F1420 Q1424 | S314-N318 VanDerWaalsContact O-CB 3.28Å; S314-N318 WeakPolarHBondContact O-CB 3.35Å; S314-N318 PolarHBondContact O-N 2.9Å; S314-N318 PolarHBondContact O-ND2 3.17Å; S314-N318 VanDerWaalsContact O-ND2 3.14Å; N318-L322 WeakPolarHBondContact O-CG 3.34Å; N318-L322 PolarHBondContact O-N 3.45Å; N318-A1389 HydrophobicContact CB-CB 3.92Å; N318-F1420 WeakPolarHBondContact OD1-CE2 3.45Å; N318-Q1424 PolarHBondContact ND2-OE1 2.99Å; N318-Q1424 PolarHBondContact OD1-NE2 3.25Å |
| 319 | H | 72.3 | Confident | 70.6 | Confident | 38 Ų | 38 | 36.2 Ų | 36.2 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.2 | -42 | 174.8 | -165.4 | 51.2 | 0 | 0 | 0 | 112.4 | D315 F316 V317 I321 L322 L323 Y1361 N1365 | D315-H319 WeakPolarHBondContact O-CB 3.44Å; D315-H319 PolarHBondContact O-N 3.2Å; D315-H319 VanDerWaalsContact O-N 3.11Å; F316-H319 WeakPolarHBondContact O-CB 3.33Å; F316-H319 PolarHBondContact O-N 2.76Å; V317-H319 VanDerWaalsContact C-N 3.25Å; V317-H319 PolarHBondContact O-N 2.93Å; H319-I321 VanDerWaalsContact C-N 3.31Å; H319-I321 PolarHBondContact O-N 2.86Å; H319-L322 PolarHBondContact O-N 3.2Å; H319-L323 WeakPolarHBondContact O-CB 3.45Å; H319-L323 VanDerWaalsContact O-CG 3.29Å; H319-L323 WeakPolarHBondContact O-CG 3.46Å; H319-L323 PolarHBondContact O-N 3.09Å; H319-Y1361 AromaticContact CE1-CE1 3.92Å; H319-Y1361 AromaticContact CE1-CZ 3.82Å; H319-Y1361 PolarHBondContact CE1-OH 3.21Å; H319-Y1361 AromaticContact NE2-CD1 3.93Å; H319-Y1361 AromaticContact NE2-CE1 2.77Å; H319-Y1361 WeakPolarHBondContact NE2-CE1 3.37Å; H319-Y1361 AromaticContact NE2-CZ 2.88Å; H319-Y1361 PolarHBondContact NE2-OH 3.06Å; H319-N1365 VanDerWaalsContact NE2-CG 3.25Å; H319-N1365 PolarHBondContact NE2-ND2 3.06Å; H319-N1365 PolarHBondContact NE2-OD1 2.81Å |
| 320 | L | 72.7 | Confident | 68.3 | Low | 53 Ų | 53 | 38.1 Ų | 38.1 | 28% | 0.277 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61 | -37.7 | 172.3 | -73.3 | 179 | 0 | 0 | 0 | 112.4 | F316 V317 L323 S324 I1362 | F316-L320 HydrophobicContact CD1-CD1 3.91Å; F316-L320 HydrophobicContact CD1-CG 4.2Å; F316-L320 HydrophobicContact CE1-CD1 3.59Å; F316-L320 HydrophobicContact CE1-CD2 4.3Å; F316-L320 HydrophobicContact CE1-CG 3.93Å; F316-L320 HydrophobicContact CZ-CD1 4.43Å; F316-L320 HydrophobicContact CZ-CD2 4.35Å; F316-L320 HydrophobicContact CZ-CG 4.38Å; F316-L320 WeakPolarHBondContact O-CG 3.3Å; F316-L320 PolarHBondContact O-N 2.75Å; V317-L320 PolarHBondContact O-N 3.03Å; L320-L323 PolarHBondContact O-N 3.04Å; L320-S324 WeakPolarHBondContact O-CB 3.49Å; L320-S324 PolarHBondContact O-N 3.34Å; L320-S324 PolarHBondContact O-OG 2.84Å; L320-I1362 HydrophobicContact CD2-CD1 4.5Å; L320-I1362 HydrophobicContact CD2-CG1 4.41Å |
| 321 | I | 73.9 | Confident | 66.5 | Low | 18 Ų | 18 | 41.4 Ų | 41.4 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -49.5 | 174.3 | -73.2 | 158.5 | 0 | 0 | 0 | 110.5 | V317 H319 L323 S324 F325 A1389 I1393 F1420 L1423 | V317-I321 HydrophobicContact CG1-CD1 3.92Å; V317-I321 WeakPolarHBondContact O-CD1 3.47Å; V317-I321 VanDerWaalsContact O-CG1 3.29Å; V317-I321 WeakPolarHBondContact O-CG1 3.32Å; V317-I321 PolarHBondContact O-N 2.67Å; H319-I321 VanDerWaalsContact C-N 3.31Å; H319-I321 PolarHBondContact O-N 2.86Å; I321-L323 VanDerWaalsContact C-N 3.3Å; I321-L323 PolarHBondContact O-N 3.36Å; I321-S324 PolarHBondContact O-N 3.42Å; I321-S324 VanDerWaalsContact O-N 3.09Å; I321-F325 HydrophobicContact CG2-CD2 4.3Å; I321-F325 WeakPolarHBondContact O-CD2 3.44Å; I321-F325 PolarHBondContact O-N 2.88Å; I321-A1389 HydrophobicContact CB-CB 4.34Å; I321-A1389 HydrophobicContact CG2-CB 3.96Å; I321-I1393 HydrophobicContact CD1-CD1 3.73Å; I321-I1393 HydrophobicContact CG1-CD1 4.1Å; I321-I1393 HydrophobicContact CG2-CD1 3.73Å; I321-I1393 HydrophobicContact CG2-CG1 3.66Å; I321-F1420 HydrophobicContact CD1-CE2 4.42Å; I321-L1423 HydrophobicContact CD1-CD1 4.47Å |
| 322 | L | 73.2 | Confident | 64.3 | Low | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.12 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 177.4 | -70.9 | 169.2 | 0 | 0 | 0 | 112.3 | N318 H319 S324 F325 T329 K1388 A1389 A1392 | N318-L322 WeakPolarHBondContact O-CG 3.34Å; N318-L322 PolarHBondContact O-N 3.45Å; H319-L322 PolarHBondContact O-N 3.2Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-S324 PolarHBondContact O-N 3Å; L322-F325 PolarHBondContact O-N 3.33Å; L322-T329 HydrophobicContact CD2-CG2 4.1Å; L322-K1388 HydrophobicContact CD1-CB 4.45Å; L322-K1388 HydrophobicContact CD2-CB 3.93Å; L322-A1389 HydrophobicContact CG-CB 4.26Å; L322-A1392 HydrophobicContact CD2-CB 4.19Å |
| 323 | L | 66.7 | Low | 61.9 | Low | 30 Ų | 30 | 50.5 Ų | 50.5 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.2 | -23.2 | 174.7 | -72 | 167.3 | 0 | 0 | 0 | 114 | H319 L320 I321 M1358 Y1361 | H319-L323 WeakPolarHBondContact O-CB 3.45Å; H319-L323 VanDerWaalsContact O-CG 3.29Å; H319-L323 WeakPolarHBondContact O-CG 3.46Å; H319-L323 PolarHBondContact O-N 3.09Å; L320-L323 PolarHBondContact O-N 3.04Å; I321-L323 VanDerWaalsContact C-N 3.3Å; I321-L323 PolarHBondContact O-N 3.36Å; L323-M1358 HydrophobicContact CB-CE 3.83Å; L323-M1358 HydrophobicContact CD2-CE 3.89Å; L323-M1358 HydrophobicContact CG-CE 4.43Å; L323-M1358 WeakPolarHBondContact O-CE 3.3Å; L323-Y1361 HydrophobicContact CD1-CD1 3.88Å; L323-Y1361 HydrophobicContact CD1-CE1 3.8Å; L323-Y1361 HydrophobicContact CD2-CD1 3.68Å; L323-Y1361 HydrophobicContact CD2-CE1 3.56Å; L323-Y1361 HydrophobicContact CG-CD1 4.44Å; L323-Y1361 HydrophobicContact CG-CE1 4.21Å |
| 324 | S | 65.6 | Low | 59.7 | Low | 37 Ų | 37 | 53.9 Ų | 53.9 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -83.1 | -19.2 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | L320 I321 L322 P326 | L320-S324 WeakPolarHBondContact O-CB 3.49Å; L320-S324 PolarHBondContact O-N 3.34Å; L320-S324 PolarHBondContact O-OG 2.84Å; I321-S324 PolarHBondContact O-N 3.42Å; I321-S324 VanDerWaalsContact O-N 3.09Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-S324 PolarHBondContact O-N 3Å; S324-P326 VanDerWaalsContact C-CD 3.48Å |
| 325 | F | 66.2 | Low | 57.6 | Low | 44 Ų | 44 | 59.4 Ų | 59.4 | 19% | 0.193 | 32% | 0.321 | C | S | . | . | trans | -128.2 | 62.7 | -175.7 | -58.6 | -60.9 | 0 | 0 | 0 | 112.2 | I321 L322 E327 C328 M1349 A1392 I1393 A1396 | I321-F325 HydrophobicContact CG2-CD2 4.3Å; I321-F325 WeakPolarHBondContact O-CD2 3.44Å; I321-F325 PolarHBondContact O-N 2.88Å; L322-F325 PolarHBondContact O-N 3.33Å; F325-E327 PolarHBondContact O-N 2.79Å; F325-C328 HydrophobicContact CB-CB 4.2Å; F325-C328 WeakPolarHBondContact O-CB 3.25Å; F325-C328 PolarHBondContact O-N 3.07Å; F325-M1349 HydrophobicContact CE1-SD 4.22Å; F325-A1392 HydrophobicContact CB-CB 4.47Å; F325-I1393 HydrophobicContact CE2-CG1 4.35Å; F325-A1396 HydrophobicContact CD1-CB 3.66Å; F325-A1396 HydrophobicContact CD2-CB 4.19Å; F325-A1396 HydrophobicContact CE1-CB 3.54Å; F325-A1396 HydrophobicContact CE2-CB 4.07Å; F325-A1396 HydrophobicContact CG-CB 4Å; F325-A1396 HydrophobicContact CZ-CB 3.75Å | ||
| 326 | P | 60 | Low | 55.5 | Low | 33 Ų | 33 | 65.6 Ų | 65.6 | 21% | 0.214 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -57.9 | -31.6 | -178 | 24.1 | -34.2 | 0 | 0 | 0 | 113.2 | S324 C328 T329 | S324-P326 VanDerWaalsContact C-CD 3.48Å; P326-C328 PolarHBondContact O-N 2.86Å; P326-T329 PolarHBondContact O-N 2.67Å |
| 327 | E | 54.6 | Low | 53.7 | Low | 152 Ų | 152 | 72.2 Ų | 72.2 | 71% | 0.71 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -59.8 | -24.9 | 175.5 | -58.3 | -176.4 | 153.7 | 0 | 0 | 113.9 | F325 | F325-E327 PolarHBondContact O-N 2.79Š|
| 328 | C | 47.5 | Very low | 51.5 | Low | 8 Ų | 8 | 77.3 Ų | 77.3 | 5% | 0.054 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -85.2 | -16.1 | -171.1 | -73 | 0 | 0 | 0 | 0 | 114.3 | F325 P326 A1392 K1395 | F325-C328 HydrophobicContact CB-CB 4.2Å; F325-C328 WeakPolarHBondContact O-CB 3.25Å; F325-C328 PolarHBondContact O-N 3.07Å; P326-C328 PolarHBondContact O-N 2.86Å; C328-A1392 HydrophobicContact CB-CB 3.91Å; C328-K1395 HydrophobicContact CB-CB 4.48Å; C328-K1395 HydrophobicContact CB-CD 3.98Å; C328-K1395 PolarHBondContact O-NZ 2.86Å; C328-K1395 VanDerWaalsContact SG-CB 3.52Å |
| 329 | T | 42.2 | Very low | 49.2 | Very low | 45 Ų | 45 | 81.5 Ų | 81.5 | 28% | 0.276 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -129.9 | 119.7 | 173.7 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | L322 P326 I331 | L322-T329 HydrophobicContact CD2-CG2 4.1Å; P326-T329 PolarHBondContact O-N 2.67Å; T329-I331 PolarHBondContact O-N 3.27Å |
| 330 | P | 35.4 | Very low | 47.6 | Very low | 97 Ų | 97 | 87.9 Ų | 87.9 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | trans | -57.7 | 135.9 | 173.8 | 26.2 | -33.9 | 0 | 0 | 0 | 109.4 | E332 | P330-E332 HydrophobicContact CB-CG 4.35Å; P330-E332 PolarHBondContact O-N 3.31Å | ||
| 331 | I | 37.7 | Very low | 46.1 | Very low | 89 Ų | 89 | 91.6 Ų | 91.6 | 46% | 0.456 | 48% | 0.478 | S | S | . | . | trans | -78.6 | 41.7 | -179.7 | -46 | 179.8 | 0 | 0 | 0 | 110.4 | T329 I335 | T329-I331 PolarHBondContact O-N 3.27Å; I331-I335 HydrophobicContact CG2-CG1 4.22Å | ||
| 332 | E | 31.3 | Very low | 44.8 | Very low | 159 Ų | 159 | 94.1 Ų | 94.1 | 74% | 0.743 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 112.9 | 169.2 | -66.9 | -177.6 | 114.4 | 0 | 0 | 107 | P330 | P330-E332 HydrophobicContact CB-CG 4.35Å; P330-E332 PolarHBondContact O-N 3.31Å |
| 333 | S | 32.1 | Very low | 44.1 | Very low | 101 Ų | 101 | 97.2 Ų | 97.2 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 26.8 | -175 | 77.6 | 0 | 0 | 0 | 0 | 119.8 | ||
| 334 | L | 35.7 | Very low | 43.8 | Very low | 124 Ų | 124 | 102.6 Ų | 102.6 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.5 | 1.1 | 152.3 | -139.7 | 75.8 | 0 | 0 | 0 | 116.9 | ||
| 335 | I | 36 | Very low | 43.2 | Very low | 130 Ų | 130 | 105.9 Ų | 105.9 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -107.7 | 44.4 | 148.6 | -40.4 | 180 | 0 | 0 | 0 | 109.2 | I331 | I331-I335 HydrophobicContact CG2-CG1 4.22Š|
| 336 | K | 30.4 | Very low | 43.1 | Very low | 164 Ų | 164 | 108.8 Ų | 108.8 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | trans | -73.7 | 115 | 141.3 | -116.9 | -173 | 178.1 | -174.4 | 0 | 105.2 | D338 | K336-D338 PolarHBondContact O-N 2.99Å; K336-D338 VanDerWaalsContact O-N 3.1Å | ||
| 337 | H | 35 | Very low | 43.5 | Very low | 149 Ų | 149 | 109.4 Ų | 109.4 | 69% | 0.69 | 58% | 0.579 | S | S | * | * | trans | -61.9 | 112.4 | 155.8 | -83.1 | -92.9 | 0 | 0 | 0 | 106.7 | C339 | H337-C339 HydrophobicContact CB-CB 4.22Å; H337-C339 PolarHBondContact O-N 2.82Å | ||
| 338 | D | 32.7 | Very low | 43.9 | Very low | 128 Ų | 128 | 109.6 Ų | 109.6 | 68% | 0.684 | 58% | 0.575 | S | S | * | * | trans | -67.7 | 51.9 | 150.1 | -96.4 | 21.5 | 0 | 0 | 0 | 108.3 | K336 E340 K1377 | K336-D338 PolarHBondContact O-N 2.99Å; K336-D338 VanDerWaalsContact O-N 3.1Å; D338-E340 VanDerWaalsContact C-N 3.26Å; D338-E340 PolarHBondContact O-N 2.77Å; D338-E340 VanDerWaalsContact O-N 3.09Å; D338-K1377 IonicContact OD2-NZ 2.88Å; D338-K1377 PolarHBondContact OD2-NZ 2.87Å | ||
| 339 | C | 31.7 | Very low | 44.5 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | trans | -63.6 | 103.4 | 146.7 | -74.2 | 0 | 0 | 0 | 0 | 104.1 | H337 H341 | H337-C339 HydrophobicContact CB-CB 4.22Å; H337-C339 PolarHBondContact O-N 2.82Å; C339-H341 PolarHBondContact O-N 2.86Å; C339-H341 VanDerWaalsContact O-N 3.14Å | ||
| 340 | E | 38.6 | Very low | 45.8 | Very low | 172 Ų | 172 | 115.3 Ų | 115.3 | 80% | 0.804 | 60% | 0.602 | S | S | * | * | trans | -39.1 | 122.2 | 156.1 | -175.6 | 167.2 | -121.1 | 0 | 0 | 107.3 | D338 V342 | D338-E340 VanDerWaalsContact C-N 3.26Å; D338-E340 PolarHBondContact O-N 2.77Å; D338-E340 VanDerWaalsContact O-N 3.09Å; E340-V342 VanDerWaalsContact C-N 3.29Å; E340-V342 WeakPolarHBondContact O-CG2 3.42Å; E340-V342 PolarHBondContact O-N 3.45Å | ||
| 341 | H | 40.7 | Very low | 47.3 | Very low | 130 Ų | 130 | 115.2 Ų | 115.2 | 60% | 0.602 | 60% | 0.597 | S | S | * | * | trans | -62.9 | 90.8 | -170.6 | 170.7 | -53.9 | 0 | 0 | 0 | 108.7 | C339 P343 E346 | C339-H341 PolarHBondContact O-N 2.86Å; C339-H341 VanDerWaalsContact O-N 3.14Å; H341-P343 WeakPolarHBondContact O-CD 3.28Å; H341-P343 WeakPolarHBondContact O-CG 3.39Å; H341-P343 VanDerWaalsContact O-N 3.16Å; H341-E346 IonicContact CD2-OE2 2.68Å; H341-E346 IonicContact CE1-OE2 2.66Å; H341-E346 IonicContact NE2-OE2 2.94Å | ||
| 342 | V | 47.2 | Very low | 48.5 | Very low | 71 Ų | 71 | 115.4 Ų | 115.4 | 43% | 0.43 | 59% | 0.591 | S | S | . | * | trans | -75.5 | 101 | -176.5 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | E340 L344 L345 E346 | E340-V342 VanDerWaalsContact C-N 3.29Å; E340-V342 WeakPolarHBondContact O-CG2 3.42Å; E340-V342 PolarHBondContact O-N 3.45Å; V342-L344 HydrophobicContact CG1-CB 4Å; V342-L344 PolarHBondContact O-N 3.16Å; V342-L344 VanDerWaalsContact O-N 3.13Å; V342-L345 HydrophobicContact CB-CB 3.97Å; V342-L345 HydrophobicContact CG1-CB 4Å; V342-L345 PolarHBondContact O-N 3.02Å; V342-E346 PolarHBondContact O-N 3.43Å; V342-E346 VanDerWaalsContact O-N 3.17Å | ||
| 343 | P | 59.7 | Low | 49.7 | Very low | 89 Ų | 89 | 113.5 Ų | 113.5 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.3 | -23.3 | -171.4 | -14.7 | 32.2 | 0 | 0 | 0 | 111 | H341 A347 | H341-P343 WeakPolarHBondContact O-CD 3.28Å; H341-P343 WeakPolarHBondContact O-CG 3.39Å; H341-P343 VanDerWaalsContact O-N 3.16Å; P343-A347 WeakPolarHBondContact O-CB 3.1Å; P343-A347 PolarHBondContact O-N 2.88Å |
| 344 | L | 60.6 | Low | 51.5 | Low | 142 Ų | 142 | 113.3 Ų | 113.3 | 74% | 0.743 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63 | -37.3 | 170.6 | -172.9 | 75.9 | 0 | 0 | 0 | 112.7 | V342 Y348 | V342-L344 HydrophobicContact CG1-CB 4Å; V342-L344 PolarHBondContact O-N 3.16Å; V342-L344 VanDerWaalsContact O-N 3.13Å; L344-Y348 VanDerWaalsContact O-CB 3.23Å; L344-Y348 WeakPolarHBondContact O-CB 3.42Å; L344-Y348 PolarHBondContact O-N 2.89Å |
| 345 | L | 50.9 | Low | 52.9 | Low | 107 Ų | 107 | 112.6 Ų | 112.6 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -81.2 | -36.4 | -178.2 | -145.2 | 86.7 | 0 | 0 | 0 | 111.1 | V342 Y348 I349 | V342-L345 HydrophobicContact CB-CB 3.97Å; V342-L345 HydrophobicContact CG1-CB 4Å; V342-L345 PolarHBondContact O-N 3.02Å; L345-Y348 PolarHBondContact O-N 3.38Å; L345-I349 WeakPolarHBondContact O-CG1 3.44Å; L345-I349 PolarHBondContact O-N 3.16Å |
| 346 | E | 64.8 | Low | 53.5 | Low | 105 Ų | 105 | 108.7 Ų | 108.7 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.9 | -43.9 | 173.9 | -155.3 | 154.1 | 155 | 0 | 0 | 110.5 | H341 V342 Y348 I349 D350 | H341-E346 IonicContact CD2-OE2 2.68Å; H341-E346 IonicContact CE1-OE2 2.66Å; H341-E346 IonicContact NE2-OE2 2.94Å; V342-E346 PolarHBondContact O-N 3.43Å; V342-E346 VanDerWaalsContact O-N 3.17Å; E346-Y348 VanDerWaalsContact C-N 3.3Å; E346-Y348 PolarHBondContact O-N 3.41Å; E346-I349 PolarHBondContact O-N 3.45Å; E346-I349 VanDerWaalsContact O-N 3.16Å; E346-D350 WeakPolarHBondContact O-CB 3.24Å; E346-D350 PolarHBondContact O-N 2.76Å |
| 347 | A | 68.6 | Low | 54.8 | Low | 45 Ų | 45 | 105.4 Ų | 105.4 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | P343 D351 | P343-A347 WeakPolarHBondContact O-CB 3.1Å; P343-A347 PolarHBondContact O-N 2.88Å; A347-D351 VanDerWaalsContact O-CB 3.31Å; A347-D351 WeakPolarHBondContact O-CB 3.32Å; A347-D351 PolarHBondContact O-N 2.85Å |
| 348 | Y | 63.2 | Low | 55.9 | Low | 157 Ų | 157 | 104.2 Ų | 104.2 | 62% | 0.616 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.2 | -38.3 | 174.2 | 178.7 | -93.9 | 0 | 0 | 0 | 112.3 | L344 L345 E346 W352 | L344-Y348 VanDerWaalsContact O-CB 3.23Å; L344-Y348 WeakPolarHBondContact O-CB 3.42Å; L344-Y348 PolarHBondContact O-N 2.89Å; L345-Y348 PolarHBondContact O-N 3.38Å; E346-Y348 VanDerWaalsContact C-N 3.3Å; E346-Y348 PolarHBondContact O-N 3.41Å; Y348-W352 WeakPolarHBondContact O-CB 3.37Å; Y348-W352 PolarHBondContact O-N 3.23Å |
| 349 | I | 60.6 | Low | 56.4 | Low | 83 Ų | 83 | 103.1 Ų | 103.1 | 43% | 0.426 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 173.9 | -69.7 | 164.1 | 0 | 0 | 0 | 110.1 | L345 E346 D351 W352 E353 | L345-I349 WeakPolarHBondContact O-CG1 3.44Å; L345-I349 PolarHBondContact O-N 3.16Å; E346-I349 PolarHBondContact O-N 3.45Å; E346-I349 VanDerWaalsContact O-N 3.16Å; I349-D351 PolarHBondContact O-N 2.76Å; I349-W352 CarbonylContact O-C 3.58Å; I349-W352 PolarHBondContact O-N 2.82Å; I349-E353 PolarHBondContact O-N 2.86Å |
| 350 | D | 68.3 | Low | 56.9 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 174.6 | -104.5 | 22.7 | 0 | 0 | 0 | 112.3 | E346 K354 | E346-D350 WeakPolarHBondContact O-CB 3.24Å; E346-D350 PolarHBondContact O-N 2.76Å; D350-K354 WeakPolarHBondContact O-CB 3.45Å; D350-K354 WeakPolarHBondContact O-CG 3.48Å; D350-K354 PolarHBondContact O-N 2.64Å; D350-K354 PolarHBondContact O-NZ 3.47Å; D350-K354 IonicContact OD2-NZ 2.81Å |
| 351 | D | 67.8 | Low | 56.9 | Low | 96 Ų | 96 | 104.9 Ų | 104.9 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.3 | -28.9 | 177.7 | -77 | -9 | 0 | 0 | 0 | 112.2 | A347 I349 K354 W355 | A347-D351 VanDerWaalsContact O-CB 3.31Å; A347-D351 WeakPolarHBondContact O-CB 3.32Å; A347-D351 PolarHBondContact O-N 2.85Å; I349-D351 PolarHBondContact O-N 2.76Å; D351-K354 IonicContact OD1-NZ 3.64Å; D351-K354 PolarHBondContact OD1-NZ 3.41Å; D351-W355 WeakPolarHBondContact O-CB 3.46Å; D351-W355 PolarHBondContact O-N 3.29Å |
| 352 | W | 62.3 | Low | 57.1 | Low | 92 Ų | 92 | 104.4 Ų | 104.4 | 35% | 0.348 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 170.9 | -176.9 | 90.1 | 0 | 0 | 0 | 111.7 | Y348 I349 W355 L356 | Y348-W352 WeakPolarHBondContact O-CB 3.37Å; Y348-W352 PolarHBondContact O-N 3.23Å; I349-W352 CarbonylContact O-C 3.58Å; I349-W352 PolarHBondContact O-N 2.82Å; W352-W355 PolarHBondContact O-N 3.3Å; W352-L356 HydrophobicContact CD2-CD1 4.38Å; W352-L356 HydrophobicContact CH2-CD1 3.97Å; W352-L356 HydrophobicContact CH2-CD2 3.79Å; W352-L356 HydrophobicContact CZ2-CD1 3.71Å; W352-L356 HydrophobicContact CZ2-CD2 4.38Å; W352-L356 HydrophobicContact CZ3-CD1 4.41Å; W352-L356 HydrophobicContact CZ3-CD2 3.94Å; W352-L356 WeakPolarHBondContact O-CB 3.46Å; W352-L356 PolarHBondContact O-N 2.93Å |
| 353 | E | 57.6 | Low | 57.4 | Low | 119 Ų | 119 | 107.3 Ų | 107.3 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.3 | -41.6 | 174.4 | -71.5 | -160.7 | 170.9 | 0 | 0 | 111.7 | I349 W355 L356 S357 | I349-E353 PolarHBondContact O-N 2.86Å; E353-W355 VanDerWaalsContact C-N 3.34Å; E353-W355 PolarHBondContact O-N 3.47Å; E353-L356 WeakPolarHBondContact O-CB 3.29Å; E353-L356 PolarHBondContact O-N 3.16Å; E353-S357 WeakPolarHBondContact O-CB 3.48Å; E353-S357 PolarHBondContact O-N 3.43Å |
| 354 | K | 68.3 | Low | 57.2 | Low | 97 Ų | 97 | 105.1 Ų | 105.1 | 42% | 0.422 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 169.6 | -73.2 | 174.1 | -153.2 | 106.7 | 0 | 111.2 | D350 D351 S357 N358 | D350-K354 WeakPolarHBondContact O-CB 3.45Å; D350-K354 WeakPolarHBondContact O-CG 3.48Å; D350-K354 PolarHBondContact O-N 2.64Å; D350-K354 PolarHBondContact O-NZ 3.47Å; D350-K354 IonicContact OD2-NZ 2.81Å; D351-K354 IonicContact OD1-NZ 3.64Å; D351-K354 PolarHBondContact OD1-NZ 3.41Å; K354-S357 PolarHBondContact O-N 3.19Å; K354-S357 PolarHBondContact O-OG 3.17Å; K354-N358 WeakPolarHBondContact O-CB 3.42Å; K354-N358 PolarHBondContact O-N 3.47Å; K354-N358 PolarHBondContact O-ND2 3.13Å |
| 355 | W | 65.4 | Low | 57.2 | Low | 109 Ų | 109 | 102.1 Ų | 102.1 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.2 | 176.9 | 89.5 | 0 | 0 | 0 | 112.5 | D351 W352 E353 S357 N358 K359 | D351-W355 WeakPolarHBondContact O-CB 3.46Å; D351-W355 PolarHBondContact O-N 3.29Å; W352-W355 PolarHBondContact O-N 3.3Å; E353-W355 VanDerWaalsContact C-N 3.34Å; E353-W355 PolarHBondContact O-N 3.47Å; W355-S357 VanDerWaalsContact C-N 3.35Å; W355-N358 PolarHBondContact O-N 3.08Å; W355-K359 HydrophobicContact CD2-CD 4.45Å; W355-K359 HydrophobicContact CE3-CD 4.38Å; W355-K359 HydrophobicContact CH2-CD 4.09Å; W355-K359 HydrophobicContact CZ2-CD 4.07Å; W355-K359 HydrophobicContact CZ3-CD 4.19Å; W355-K359 PolarHBondContact O-N 2.92Å; W355-K359 VanDerWaalsContact O-N 3.09Å |
| 356 | L | 48.6 | Very low | 58 | Low | 48 Ų | 48 | 97 Ų | 97 | 25% | 0.251 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 171.9 | -130.7 | 75.6 | 0 | 0 | 0 | 111 | W352 E353 N358 K359 | W352-L356 HydrophobicContact CD2-CD1 4.38Å; W352-L356 HydrophobicContact CH2-CD1 3.97Å; W352-L356 HydrophobicContact CH2-CD2 3.79Å; W352-L356 HydrophobicContact CZ2-CD1 3.71Å; W352-L356 HydrophobicContact CZ2-CD2 4.38Å; W352-L356 HydrophobicContact CZ3-CD1 4.41Å; W352-L356 HydrophobicContact CZ3-CD2 3.94Å; W352-L356 WeakPolarHBondContact O-CB 3.46Å; W352-L356 PolarHBondContact O-N 2.93Å; E353-L356 WeakPolarHBondContact O-CB 3.29Å; E353-L356 PolarHBondContact O-N 3.16Å; L356-N358 VanDerWaalsContact C-N 3.28Å; L356-N358 PolarHBondContact O-N 3.44Å; L356-K359 PolarHBondContact O-N 3.5Å |
| 357 | S | 57.3 | Low | 58.1 | Low | 95 Ų | 95 | 97.1 Ų | 97.1 | 66% | 0.664 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.3 | -27.5 | 178.7 | 79.2 | 0 | 0 | 0 | 0 | 113.7 | E353 K354 W355 | E353-S357 WeakPolarHBondContact O-CB 3.48Å; E353-S357 PolarHBondContact O-N 3.43Å; K354-S357 PolarHBondContact O-N 3.19Å; K354-S357 PolarHBondContact O-OG 3.17Å; W355-S357 VanDerWaalsContact C-N 3.35Å |
| 358 | N | 58.7 | Low | 57.9 | Low | 125 Ų | 125 | 100.5 Ų | 100.5 | 67% | 0.668 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -85.8 | -16.7 | 178 | -75.8 | -43.8 | 0 | 0 | 0 | 113.7 | K354 W355 L356 Q360 | K354-N358 WeakPolarHBondContact O-CB 3.42Å; K354-N358 PolarHBondContact O-N 3.47Å; K354-N358 PolarHBondContact O-ND2 3.13Å; W355-N358 PolarHBondContact O-N 3.08Å; L356-N358 VanDerWaalsContact C-N 3.28Å; L356-N358 PolarHBondContact O-N 3.44Å; N358-Q360 PolarHBondContact O-N 2.97Å |
| 359 | K | 44.3 | Very low | 58.2 | Low | 104 Ų | 104 | 93.2 Ų | 93.2 | 45% | 0.452 | 48% | 0.48 | S | S | . | . | trans | -75.2 | 84.8 | 177.3 | -104.1 | -175.5 | 169.6 | 179.9 | 0 | 110.9 | W355 L356 E541 | W355-K359 HydrophobicContact CD2-CD 4.45Å; W355-K359 HydrophobicContact CE3-CD 4.38Å; W355-K359 HydrophobicContact CH2-CD 4.09Å; W355-K359 HydrophobicContact CZ2-CD 4.07Å; W355-K359 HydrophobicContact CZ3-CD 4.19Å; W355-K359 PolarHBondContact O-N 2.92Å; W355-K359 VanDerWaalsContact O-N 3.09Å; L356-K359 PolarHBondContact O-N 3.5Å; K359-E541 IonicContact NZ-OE1 3.71Å; K359-E541 PolarHBondContact NZ-OE1 3.46Å | ||
| 360 | Q | 42 | Very low | 58.4 | Low | 178 Ų | 178 | 90.3 Ų | 90.3 | 83% | 0.832 | 47% | 0.465 | S | S | * | . | trans | -62.7 | 138.4 | 172.7 | -76.9 | -174.5 | -21.7 | 0 | 0 | 112.2 | N358 T362 | N358-Q360 PolarHBondContact O-N 2.97Å; Q360-T362 PolarHBondContact O-N 3.12Å | ||
| 361 | S | 38.9 | Very low | 58.4 | Low | 121 Ų | 121 | 89.5 Ų | 89.5 | 85% | 0.846 | 47% | 0.466 | S | S | * | . | trans | -42.8 | 120 | -172.6 | -176.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 362 | T | 44.7 | Very low | 58.3 | Low | 120 Ų | 120 | 88.7 Ų | 88.7 | 74% | 0.736 | 46% | 0.459 | S | S | * | . | trans | -132.3 | 87.6 | 167.4 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | Q360 | Q360-T362 PolarHBondContact O-N 3.12Š| ||
| 363 | V | 52.1 | Low | 58.3 | Low | 132 Ų | 132 | 92.1 Ų | 92.1 | 80% | 0.8 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 69 | 56.8 | 145.7 | -153.2 | 0 | 0 | 0 | 0 | 118.3 | ||
| 364 | I | 56.2 | Low | 58.6 | Low | 43 Ų | 43 | 92.7 Ų | 92.7 | 22% | 0.221 | 49% | 0.486 | C | S | . | . | trans | -138.2 | 114.2 | 135.2 | -59.8 | -174.8 | 0 | 0 | 0 | 107.5 | L369 I536 Y539 L540 | I364-L369 HydrophobicContact CG2-CB 3.99Å; I364-L369 HydrophobicContact CG2-CD1 4.37Å; I364-L369 HydrophobicContact CG2-CD2 4.13Å; I364-L369 HydrophobicContact CG2-CG 4.4Å; I364-I536 HydrophobicContact CB-CD1 4.23Å; I364-I536 HydrophobicContact CB-CG2 4.26Å; I364-I536 HydrophobicContact CD1-CG2 4.33Å; I364-I536 HydrophobicContact CG2-CD1 4.04Å; I364-Y539 HydrophobicContact CD1-CE1 4.35Å; I364-L540 HydrophobicContact CD1-CD2 3.8Å | ||
| 365 | D | 61 | Low | 58.6 | Low | 79 Ų | 79 | 91.6 Ų | 91.6 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | trans | -77.7 | 134.4 | 164.6 | -75 | -64.2 | 0 | 0 | 0 | 109.1 | E367 K368 L369 | D365-E367 PolarHBondContact O-N 3.28Å; D365-K368 HydrophobicContact CB-CB 4.06Å; D365-K368 HydrophobicContact CB-CD 4.25Å; D365-K368 HydrophobicContact CB-CG 3.94Å; D365-K368 PolarHBondContact O-N 3.4Å; D365-K368 VanDerWaalsContact O-N 3.16Å; D365-K368 IonicContact OD2-NZ 3.38Å; D365-K368 PolarHBondContact OD2-NZ 3.4Å; D365-L369 PolarHBondContact O-N 2.96Å | ||
| 366 | I | 68 | Low | 59.1 | Low | 1 Ų | 1 | 87.8 Ų | 87.8 | 1% | 0.005 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59 | -36.9 | 170.9 | -83.8 | 170.4 | 0 | 0 | 0 | 111.9 | K368 L369 L370 L395 C528 V531 E532 I536 | I366-K368 VanDerWaalsContact C-N 3.29Å; I366-K368 PolarHBondContact O-N 3.22Å; I366-L369 PolarHBondContact O-N 2.92Å; I366-L370 HydrophobicContact CG2-CD1 3.5Å; I366-L370 VanDerWaalsContact CG2-CD1 3.5Å; I366-L370 HydrophobicContact CG2-CG 4.01Å; I366-L370 WeakPolarHBondContact O-CB 3.48Å; I366-L370 VanDerWaalsContact O-CG 3.23Å; I366-L370 WeakPolarHBondContact O-CG 3.27Å; I366-L370 PolarHBondContact O-N 3.27Å; I366-L395 HydrophobicContact CG2-CD1 3.97Å; I366-L395 HydrophobicContact CG2-CD2 3.84Å; I366-L395 HydrophobicContact CG2-CG 4.41Å; I366-C528 WeakPolarHBondContact CD1-O 3.15Å; I366-V531 HydrophobicContact CD1-CB 3.61Å; I366-V531 HydrophobicContact CD1-CG1 3.65Å; I366-E532 WeakPolarHBondContact CB-OE1 3.33Å; I366-E532 HydrophobicContact CD1-CB 4.05Å; I366-E532 HydrophobicContact CD1-CG 3.66Å; I366-E532 HydrophobicContact CG1-CG 3.9Å; I366-E532 PolarHBondContact N-OE1 3.14Å; I366-I536 HydrophobicContact CD1-CD1 4.35Å; I366-I536 HydrophobicContact CG1-CD1 3.83Å |
| 367 | E | 65.6 | Low | 60.4 | Low | 106 Ų | 106 | 91.6 Ų | 91.6 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -30.9 | 179.9 | -56.1 | -156.5 | 132.2 | 0 | 0 | 112.5 | D365 S371 Y524 | D365-E367 PolarHBondContact O-N 3.28Å; E367-S371 WeakPolarHBondContact O-CB 3.5Å; E367-S371 PolarHBondContact O-N 2.87Å; E367-Y524 VanDerWaalsContact OE1-CE1 3.23Å; E367-Y524 WeakPolarHBondContact OE1-CE1 3.32Å; E367-Y524 PolarHBondContact OE1-OH 3.49Å |
| 368 | K | 65.1 | Low | 61.1 | Low | 116 Ų | 116 | 87.3 Ų | 87.3 | 50% | 0.504 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.5 | -47.5 | 171.4 | -69.3 | -175.8 | 177 | 71.8 | 0 | 110.8 | D365 I366 L370 S371 Q372 | D365-K368 HydrophobicContact CB-CB 4.06Å; D365-K368 HydrophobicContact CB-CD 4.25Å; D365-K368 HydrophobicContact CB-CG 3.94Å; D365-K368 PolarHBondContact O-N 3.4Å; D365-K368 VanDerWaalsContact O-N 3.16Å; D365-K368 IonicContact OD2-NZ 3.38Å; D365-K368 PolarHBondContact OD2-NZ 3.4Å; I366-K368 VanDerWaalsContact C-N 3.29Å; I366-K368 PolarHBondContact O-N 3.22Å; K368-L370 VanDerWaalsContact C-N 3.28Å; K368-L370 PolarHBondContact O-N 2.82Å; K368-S371 WeakPolarHBondContact O-CA 3.3Å; K368-S371 WeakPolarHBondContact O-CB 3.22Å; K368-S371 PolarHBondContact O-N 2.89Å; K368-S371 PolarHBondContact O-OG 2.84Å; K368-Q372 PolarHBondContact O-N 3.38Å |
| 369 | L | 68.9 | Low | 62 | Low | 4 Ų | 4 | 81.5 Ų | 81.5 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.2 | -33.9 | 178.3 | -169.6 | 67.4 | 0 | 0 | 0 | 113 | I364 D365 I366 E375 F376 F379 | I364-L369 HydrophobicContact CG2-CB 3.99Å; I364-L369 HydrophobicContact CG2-CD1 4.37Å; I364-L369 HydrophobicContact CG2-CD2 4.13Å; I364-L369 HydrophobicContact CG2-CG 4.4Å; D365-L369 PolarHBondContact O-N 2.96Å; I366-L369 PolarHBondContact O-N 2.92Å; L369-E375 HydrophobicContact CD1-CB 3.91Å; L369-E375 WeakPolarHBondContact CD1-O 3.06Å; L369-F376 WeakPolarHBondContact O-CB 3.21Å; L369-F379 HydrophobicContact CD1-CB 4.49Å; L369-F379 HydrophobicContact CD2-CB 4.07Å; L369-F379 HydrophobicContact CD2-CD1 3.68Å; L369-F379 HydrophobicContact CD2-CD2 4.12Å; L369-F379 HydrophobicContact CD2-CE1 4.11Å; L369-F379 HydrophobicContact CD2-CG 3.69Å; L369-F379 HydrophobicContact CG-CD1 4.46Å |
| 370 | L | 66.1 | Low | 63.6 | Low | 23 Ų | 23 | 78.5 Ų | 78.5 | 12% | 0.12 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -76.1 | -21.5 | 172.8 | -71.8 | 170.8 | 0 | 0 | 0 | 113.5 | I366 K368 F376 L395 L396 Y399 | I366-L370 HydrophobicContact CG2-CD1 3.5Å; I366-L370 VanDerWaalsContact CG2-CD1 3.5Å; I366-L370 HydrophobicContact CG2-CG 4.01Å; I366-L370 WeakPolarHBondContact O-CB 3.48Å; I366-L370 VanDerWaalsContact O-CG 3.23Å; I366-L370 WeakPolarHBondContact O-CG 3.27Å; I366-L370 PolarHBondContact O-N 3.27Å; K368-L370 VanDerWaalsContact C-N 3.28Å; K368-L370 PolarHBondContact O-N 2.82Å; L370-F376 HydrophobicContact CD2-CD2 4.17Å; L370-F376 HydrophobicContact CD2-CE2 3.78Å; L370-L395 HydrophobicContact CD1-CD1 4.04Å; L370-L395 HydrophobicContact CD1-CD2 4.27Å; L370-L395 HydrophobicContact CD1-CG 3.99Å; L370-L395 HydrophobicContact CD2-CD2 4.41Å; L370-L395 HydrophobicContact CD2-CG 4.45Å; L370-L396 HydrophobicContact CD2-CD2 3.93Å; L370-Y399 HydrophobicContact CB-CD1 4.42Å; L370-Y399 HydrophobicContact CB-CD2 4.5Å; L370-Y399 HydrophobicContact CB-CE1 4.23Å; L370-Y399 HydrophobicContact CB-CE2 4.33Å; L370-Y399 HydrophobicContact CD1-CD2 4.05Å; L370-Y399 HydrophobicContact CD1-CG 4.06Å |
| 371 | S | 66.7 | Low | 65.3 | Low | 72 Ų | 72 | 74 Ų | 74 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -86.4 | -28.9 | 178.6 | 78.3 | 0 | 0 | 0 | 0 | 113.3 | E367 K368 | E367-S371 WeakPolarHBondContact O-CB 3.5Å; E367-S371 PolarHBondContact O-N 2.87Å; K368-S371 WeakPolarHBondContact O-CA 3.3Å; K368-S371 WeakPolarHBondContact O-CB 3.22Å; K368-S371 PolarHBondContact O-N 2.89Å; K368-S371 PolarHBondContact O-OG 2.84Å |
| 372 | Q | 65.8 | Low | 67.2 | Low | 78 Ų | 78 | 68.5 Ų | 68.5 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -99.2 | 98.9 | -175.8 | -70.3 | 175.4 | -113.9 | 0 | 0 | 111.1 | K368 D374 E375 F376 | K368-Q372 PolarHBondContact O-N 3.38Å; Q372-D374 PolarHBondContact O-N 3.28Å; Q372-D374 VanDerWaalsContact O-N 3.13Å; Q372-E375 HydrophobicContact CB-CB 4.22Å; Q372-E375 HydrophobicContact CB-CG 4.33Å; Q372-E375 PolarHBondContact NE2-OE1 2.86Å; Q372-E375 PolarHBondContact O-N 3.2Å; Q372-E375 VanDerWaalsContact O-N 3.15Å; Q372-F376 WeakPolarHBondContact O-CB 3.41Å; Q372-F376 PolarHBondContact O-N 2.99Å | ||
| 373 | Q | 64.1 | Low | 68.6 | Low | 165 Ų | 165 | 62.8 Ų | 62.8 | 77% | 0.771 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -54 | -34.8 | -175.8 | -178.5 | 174.3 | -24.8 | 0 | 0 | 113.8 | Y377 | Q373-Y377 PolarHBondContact O-N 3.41Å |
| 374 | D | 63.7 | Low | 69.7 | Low | 130 Ų | 130 | 60.8 Ų | 60.8 | 70% | 0.695 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -71.8 | -42.6 | -179.2 | -55.2 | -51.7 | 0 | 0 | 0 | 112.1 | Q372 P378 | Q372-D374 PolarHBondContact O-N 3.28Å; Q372-D374 VanDerWaalsContact O-N 3.13Å; D374-P378 WeakPolarHBondContact O-CD 3.37Å |
| 375 | E | 67.7 | Low | 70.6 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -77.1 | -26.7 | 178 | -62.3 | -178.3 | -164.3 | 0 | 0 | 112.7 | L369 Q372 P378 | L369-E375 HydrophobicContact CD1-CB 3.91Å; L369-E375 WeakPolarHBondContact CD1-O 3.06Å; Q372-E375 HydrophobicContact CB-CB 4.22Å; Q372-E375 HydrophobicContact CB-CG 4.33Å; Q372-E375 PolarHBondContact NE2-OE1 2.86Å; Q372-E375 PolarHBondContact O-N 3.2Å; Q372-E375 VanDerWaalsContact O-N 3.15Å; E375-P378 WeakPolarHBondContact O-CD 3.41Å |
| 376 | F | 76 | Confident | 71 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 174.8 | -175.7 | -102.2 | 0 | 0 | 0 | 112.8 | L369 L370 Q372 F379 M380 L392 L396 | L369-F376 WeakPolarHBondContact O-CB 3.21Å; L370-F376 HydrophobicContact CD2-CD2 4.17Å; L370-F376 HydrophobicContact CD2-CE2 3.78Å; Q372-F376 WeakPolarHBondContact O-CB 3.41Å; Q372-F376 PolarHBondContact O-N 2.99Å; F376-F379 HydrophobicContact CE2-CD1 4.43Å; F376-F379 PolarHBondContact O-N 3.48Å; F376-M380 HydrophobicContact CD1-CB 4.38Å; F376-M380 HydrophobicContact CE1-CB 3.92Å; F376-M380 HydrophobicContact CE1-CE 4.4Å; F376-M380 HydrophobicContact CE1-CG 4.45Å; F376-M380 HydrophobicContact CE1-SD 4.16Å; F376-M380 HydrophobicContact CZ-CB 4.26Å; F376-M380 WeakPolarHBondContact O-CB 3.19Å; F376-M380 PolarHBondContact O-N 3.29Å; F376-L392 HydrophobicContact CE2-CD1 3.88Å; F376-L392 HydrophobicContact CZ-CD1 3.96Å; F376-L392 HydrophobicContact CZ-CD2 4.27Å; F376-L392 HydrophobicContact CZ-CG 4.38Å; F376-L396 HydrophobicContact CE2-CD2 4.2Å; F376-L396 HydrophobicContact CZ-CD1 4.07Å; F376-L396 HydrophobicContact CZ-CD2 3.86Å; F376-L396 HydrophobicContact CZ-CG 4.3Å |
| 377 | Y | 74.9 | Confident | 70.9 | Confident | 127 Ų | 127 | 70 Ų | 70 | 50% | 0.498 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | -172.1 | 176.9 | -93.5 | 0 | 0 | 0 | 113.7 | Q373 M380 Q381 | Q373-Y377 PolarHBondContact O-N 3.41Å; Y377-M380 HydrophobicContact CD2-CE 3.6Å; Y377-M380 HydrophobicContact CE2-CE 4.15Å; Y377-M380 HydrophobicContact CG-CE 4.47Å; Y377-M380 PolarHBondContact O-N 2.86Å; Y377-Q381 HydrophobicContact CD1-CG 4.4Å; Y377-Q381 VanDerWaalsContact CE1-CD 3.43Å; Y377-Q381 HydrophobicContact CE1-CG 3.99Å; Y377-Q381 WeakPolarHBondContact O-CG 3.34Å; Y377-Q381 PolarHBondContact O-N 3Å; Y377-Q381 PolarHBondContact OH-NE2 2.99Å; Y377-Q381 VanDerWaalsContact OH-NE2 3.13Å |
| 378 | P | 72.9 | Confident | 70.9 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.032 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 173 | -15.1 | 24.8 | 0 | 0 | 0 | 113.2 | D374 E375 M380 Q381 Y382 Y539 H548 | D374-P378 WeakPolarHBondContact O-CD 3.37Å; E375-P378 WeakPolarHBondContact O-CD 3.41Å; P378-M380 PolarHBondContact O-N 3.05Å; P378-Q381 WeakPolarHBondContact O-CB 3.37Å; P378-Q381 PolarHBondContact O-N 3.36Å; P378-Q381 VanDerWaalsContact O-N 3.13Å; P378-Y382 WeakPolarHBondContact O-CB 3.3Å; P378-Y382 PolarHBondContact O-N 3.24Å; P378-Y539 HydrophobicContact CB-CE2 4.31Å; P378-H548 HydrophobicContact CB-CB 4.12Å; P378-H548 HydrophobicContact CG-CB 3.83Å; P378-H548 WeakPolarHBondContact CG-CD2 3.19Å; P378-H548 VanDerWaalsContact CG-CG 3.44Å |
| 379 | F | 78.1 | Confident | 71.3 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.1 | 179.6 | -116.3 | 0 | 0 | 0 | 111.7 | L369 F376 Q381 Y382 M383 L392 V531 F535 Y539 | L369-F379 HydrophobicContact CD1-CB 4.49Å; L369-F379 HydrophobicContact CD2-CB 4.07Å; L369-F379 HydrophobicContact CD2-CD1 3.68Å; L369-F379 HydrophobicContact CD2-CD2 4.12Å; L369-F379 HydrophobicContact CD2-CE1 4.11Å; L369-F379 HydrophobicContact CD2-CG 3.69Å; L369-F379 HydrophobicContact CG-CD1 4.46Å; F376-F379 HydrophobicContact CE2-CD1 4.43Å; F376-F379 PolarHBondContact O-N 3.48Å; F379-Q381 VanDerWaalsContact C-N 3.34Å; F379-Q381 PolarHBondContact O-N 3.18Å; F379-Y382 HydrophobicContact CD2-CD1 4.14Å; F379-Y382 HydrophobicContact CE2-CD1 4.23Å; F379-Y382 HydrophobicContact CE2-CE1 4.47Å; F379-Y382 PolarHBondContact O-N 3.16Å; F379-M383 HydrophobicContact CD1-CG 4.48Å; F379-M383 HydrophobicContact CD2-CG 4.39Å; F379-M383 HydrophobicContact CE1-CG 4.14Å; F379-M383 HydrophobicContact CE2-CG 4.03Å; F379-M383 HydrophobicContact CE2-SD 4.2Å; F379-M383 HydrophobicContact CZ-CG 3.9Å; F379-M383 HydrophobicContact CZ-SD 4.07Å; F379-M383 WeakPolarHBondContact O-CG 3.29Å; F379-M383 PolarHBondContact O-N 3.33Å; F379-L392 HydrophobicContact CD1-CD1 4.23Å; F379-L392 HydrophobicContact CE1-CD1 3.8Å; F379-V531 HydrophobicContact CZ-CG1 3.88Å; F379-F535 HydrophobicContact CE2-CB 4.3Å; F379-F535 HydrophobicContact CZ-CB 4.43Å; F379-Y539 HydrophobicContact CB-CE1 4.13Å; F379-Y539 HydrophobicContact CB-CE2 4.14Å; F379-Y539 AromaticContact CD2-CD1 3.82Å; F379-Y539 HydrophobicContact CD2-CD1 3.82Å; F379-Y539 HydrophobicContact CD2-CD2 4.12Å; F379-Y539 HydrophobicContact CD2-CE1 4.17Å; F379-Y539 HydrophobicContact CD2-CE2 4.47Å; F379-Y539 AromaticContact CD2-CG 3.78Å; F379-Y539 HydrophobicContact CD2-CG 3.78Å; F379-Y539 HydrophobicContact CE2-CG 4.46Å |
| 380 | M | 77.3 | Confident | 71.3 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 171.4 | 175.4 | -177.6 | 48.2 | 0 | 0 | 112.4 | F376 Y377 P378 K384 L392 | F376-M380 HydrophobicContact CD1-CB 4.38Å; F376-M380 HydrophobicContact CE1-CB 3.92Å; F376-M380 HydrophobicContact CE1-CE 4.4Å; F376-M380 HydrophobicContact CE1-CG 4.45Å; F376-M380 HydrophobicContact CE1-SD 4.16Å; F376-M380 HydrophobicContact CZ-CB 4.26Å; F376-M380 WeakPolarHBondContact O-CB 3.19Å; F376-M380 PolarHBondContact O-N 3.29Å; Y377-M380 HydrophobicContact CD2-CE 3.6Å; Y377-M380 HydrophobicContact CE2-CE 4.15Å; Y377-M380 HydrophobicContact CG-CE 4.47Å; Y377-M380 PolarHBondContact O-N 2.86Å; P378-M380 PolarHBondContact O-N 3.05Å; M380-K384 HydrophobicContact CG-CD 4.16Å; M380-K384 WeakPolarHBondContact O-CB 3.23Å; M380-K384 WeakPolarHBondContact O-CD 3.44Å; M380-K384 VanDerWaalsContact O-CG 3.24Å; M380-K384 WeakPolarHBondContact O-CG 3.47Å; M380-K384 PolarHBondContact O-N 3.24Å; M380-K384 VanDerWaalsContact O-N 3.13Å; M380-K384 PolarHBondContact SD-NZ 3.4Å; M380-L392 HydrophobicContact CB-CD2 4.21Å; M380-L392 HydrophobicContact CG-CD2 4.17Å |
| 381 | Q | 76.9 | Confident | 71.5 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 173.4 | -73.8 | -171.3 | -40.8 | 0 | 0 | 111.5 | Y377 P378 F379 K384 S385 E544 | Y377-Q381 HydrophobicContact CD1-CG 4.4Å; Y377-Q381 VanDerWaalsContact CE1-CD 3.43Å; Y377-Q381 HydrophobicContact CE1-CG 3.99Å; Y377-Q381 WeakPolarHBondContact O-CG 3.34Å; Y377-Q381 PolarHBondContact O-N 3Å; Y377-Q381 PolarHBondContact OH-NE2 2.99Å; Y377-Q381 VanDerWaalsContact OH-NE2 3.13Å; P378-Q381 WeakPolarHBondContact O-CB 3.37Å; P378-Q381 PolarHBondContact O-N 3.36Å; P378-Q381 VanDerWaalsContact O-N 3.13Å; F379-Q381 VanDerWaalsContact C-N 3.34Å; F379-Q381 PolarHBondContact O-N 3.18Å; Q381-K384 WeakPolarHBondContact O-CB 3.22Å; Q381-K384 PolarHBondContact O-N 3.17Å; Q381-S385 PolarHBondContact O-N 3.46Å; Q381-E544 HydrophobicContact CB-CG 4.49Å |
| 382 | Y | 79.9 | Confident | 72 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 174.8 | 163.1 | -98.4 | 0 | 0 | 0 | 112.4 | P378 F379 K384 S385 V386 F535 M538 Y539 | P378-Y382 WeakPolarHBondContact O-CB 3.3Å; P378-Y382 PolarHBondContact O-N 3.24Å; F379-Y382 HydrophobicContact CD2-CD1 4.14Å; F379-Y382 HydrophobicContact CE2-CD1 4.23Å; F379-Y382 HydrophobicContact CE2-CE1 4.47Å; F379-Y382 PolarHBondContact O-N 3.16Å; Y382-K384 PolarHBondContact O-N 3.12Å; Y382-K384 VanDerWaalsContact O-N 3.14Å; Y382-S385 WeakPolarHBondContact CA-OG 3.35Å; Y382-S385 PolarHBondContact O-N 3.36Å; Y382-S385 PolarHBondContact O-OG 2.92Å; Y382-V386 HydrophobicContact CD2-CG2 4.01Å; Y382-V386 HydrophobicContact CE1-CG2 4.39Å; Y382-V386 HydrophobicContact CE2-CG2 3.51Å; Y382-V386 WeakPolarHBondContact O-CG2 3.44Å; Y382-V386 PolarHBondContact O-N 2.62Å; Y382-F535 HydrophobicContact CE1-CB 4.31Å; Y382-F535 HydrophobicContact CE1-CD1 4.45Å; Y382-F535 WeakPolarHBondContact CE1-O 3.38Å; Y382-M538 HydrophobicContact CE2-CG 4.28Å; Y382-M538 WeakPolarHBondContact OH-CB 3.44Å; Y382-M538 WeakPolarHBondContact OH-CG 3.31Å; Y382-M538 PolarHBondContact OH-SD 2.91Å; Y382-Y539 AromaticContact CD1-CD2 3.96Å; Y382-Y539 HydrophobicContact CD1-CD2 3.96Å; Y382-Y539 HydrophobicContact CD1-CG 4.19Å; Y382-Y539 HydrophobicContact CD2-CD2 4.45Å; Y382-Y539 AromaticContact CG-CD2 3.78Å; Y382-Y539 HydrophobicContact CG-CD2 3.78Å; Y382-Y539 HydrophobicContact CG-CG 4.41Å |
| 383 | M | 74.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -25.9 | 176 | -67.8 | -66.4 | -85.5 | 0 | 0 | 112.5 | F379 K387 S388 P391 L392 F535 | F379-M383 HydrophobicContact CD1-CG 4.48Å; F379-M383 HydrophobicContact CD2-CG 4.39Å; F379-M383 HydrophobicContact CE1-CG 4.14Å; F379-M383 HydrophobicContact CE2-CG 4.03Å; F379-M383 HydrophobicContact CE2-SD 4.2Å; F379-M383 HydrophobicContact CZ-CG 3.9Å; F379-M383 HydrophobicContact CZ-SD 4.07Å; F379-M383 WeakPolarHBondContact O-CG 3.29Å; F379-M383 PolarHBondContact O-N 3.33Å; M383-K387 PolarHBondContact O-N 3.33Å; M383-S388 WeakPolarHBondContact CE-O 3.23Å; M383-S388 PolarHBondContact O-N 2.9Å; M383-P391 HydrophobicContact CE-CB 4.43Å; M383-L392 HydrophobicContact CB-CD2 3.97Å; M383-L392 HydrophobicContact CE-CB 4.12Å; M383-L392 HydrophobicContact CG-CD2 4.26Å; M383-F535 HydrophobicContact CE-CB 4.41Å; M383-F535 HydrophobicContact CE-CD1 3.97Å; M383-F535 HydrophobicContact CE-CD2 3.8Å; M383-F535 HydrophobicContact CE-CE1 4.14Å; M383-F535 HydrophobicContact CE-CE2 3.99Å; M383-F535 HydrophobicContact CE-CG 3.8Å; M383-F535 HydrophobicContact CE-CZ 4.16Å; M383-F535 HydrophobicContact SD-CB 3.85Å; M383-F535 HydrophobicContact SD-CD1 3.48Å; M383-F535 WeakPolarHBondContact SD-CD1 3.13Å; M383-F535 HydrophobicContact SD-CD2 4.23Å; M383-F535 HydrophobicContact SD-CE1 4.06Å; M383-F535 HydrophobicContact SD-CG 3.59Å; M383-F535 VanDerWaalsContact SD-CG 3.59Å |
| 384 | K | 74 | Confident | 73 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -77.3 | -40 | 171.5 | -76 | 167.7 | -179 | 172.2 | 0 | 113.1 | M380 Q381 Y382 V386 K387 I389 | M380-K384 HydrophobicContact CG-CD 4.16Å; M380-K384 WeakPolarHBondContact O-CB 3.23Å; M380-K384 WeakPolarHBondContact O-CD 3.44Å; M380-K384 VanDerWaalsContact O-CG 3.24Å; M380-K384 WeakPolarHBondContact O-CG 3.47Å; M380-K384 PolarHBondContact O-N 3.24Å; M380-K384 VanDerWaalsContact O-N 3.13Å; M380-K384 PolarHBondContact SD-NZ 3.4Å; Q381-K384 WeakPolarHBondContact O-CB 3.22Å; Q381-K384 PolarHBondContact O-N 3.17Å; Y382-K384 PolarHBondContact O-N 3.12Å; Y382-K384 VanDerWaalsContact O-N 3.14Å; K384-V386 VanDerWaalsContact C-N 3.34Å; K384-K387 PolarHBondContact O-N 3.33Å; K384-K387 VanDerWaalsContact O-N 3.1Å; K384-I389 HydrophobicContact CG-CD1 3.95Å |
| 385 | S | 74.9 | Confident | 73.8 | Confident | 65 Ų | 65 | 47.7 Ų | 47.7 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.3 | -33.3 | 176.7 | 60 | 0 | 0 | 0 | 0 | 112.1 | Q381 Y382 K387 E544 | Q381-S385 PolarHBondContact O-N 3.46Å; Y382-S385 WeakPolarHBondContact CA-OG 3.35Å; Y382-S385 PolarHBondContact O-N 3.36Å; Y382-S385 PolarHBondContact O-OG 2.92Å; S385-K387 PolarHBondContact O-N 3.14Å; S385-E544 VanDerWaalsContact CB-OE1 3.3Å; S385-E544 WeakPolarHBondContact CB-OE1 3.29Å; S385-E544 PolarHBondContact OG-OE1 3.47Å |
| 386 | V | 69.3 | Low | 74.3 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 35% | 0.352 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -3.2 | 170.4 | 179.2 | 0 | 0 | 0 | 0 | 113.1 | Y382 K384 S388 F535 | Y382-V386 HydrophobicContact CD2-CG2 4.01Å; Y382-V386 HydrophobicContact CE1-CG2 4.39Å; Y382-V386 HydrophobicContact CE2-CG2 3.51Å; Y382-V386 WeakPolarHBondContact O-CG2 3.44Å; Y382-V386 PolarHBondContact O-N 2.62Å; K384-V386 VanDerWaalsContact C-N 3.34Å; V386-S388 PolarHBondContact O-N 3.22Å; V386-F535 HydrophobicContact CG1-CE1 4.4Å |
| 387 | K | 67.7 | Low | 74.4 | Confident | 192 Ų | 192 | 45.8 Ų | 45.8 | 84% | 0.835 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 18 | -177.5 | -53.7 | 178.9 | -178.9 | 175.4 | 0 | 115.1 | M383 K384 S385 | M383-K387 PolarHBondContact O-N 3.33Å; K384-K387 PolarHBondContact O-N 3.33Å; K384-K387 VanDerWaalsContact O-N 3.1Å; S385-K387 PolarHBondContact O-N 3.14Å |
| 388 | S | 65.6 | Low | 74.6 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | trans | -110 | 62.5 | -171.5 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | M383 V386 F535 | M383-S388 WeakPolarHBondContact CE-O 3.23Å; M383-S388 PolarHBondContact O-N 2.9Å; V386-S388 PolarHBondContact O-N 3.22Å; S388-F535 VanDerWaalsContact OG-CZ 3.24Å; S388-F535 WeakPolarHBondContact OG-CZ 3.41Å | ||
| 389 | I | 73.6 | Confident | 75 | Confident | 73 Ų | 73 | 42.5 Ų | 42.5 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -86.2 | -19.3 | -173.5 | -153.2 | 170.7 | 0 | 0 | 0 | 114.1 | K384 L392 T393 | K384-I389 HydrophobicContact CG-CD1 3.95Å; I389-L392 PolarHBondContact O-N 3.45Å; I389-T393 WeakPolarHBondContact O-CB 3.13Å; I389-T393 PolarHBondContact O-N 2.9Å; I389-T393 PolarHBondContact O-OG1 3.41Å |
| 390 | E | 68.5 | Low | 75 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.1 | -44.4 | -177.4 | -50.5 | 157.5 | 140.5 | 0 | 0 | 111.9 | L392 T393 V394 I428 | E390-L392 VanDerWaalsContact C-N 3.32Å; E390-L392 PolarHBondContact O-N 3.42Å; E390-T393 WeakPolarHBondContact O-CB 3.48Å; E390-T393 PolarHBondContact O-N 2.99Å; E390-T393 VanDerWaalsContact O-N 3.08Å; E390-V394 PolarHBondContact O-N 3.19Å; E390-I428 HydrophobicContact CB-CG2 4.41Å |
| 391 | P | 70.5 | Confident | 75 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 5% | 0.045 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -40.3 | 173.8 | -27 | 37.9 | 0 | 0 | 0 | 113.7 | M383 T393 L395 F489 V531 F535 | M383-P391 HydrophobicContact CE-CB 4.43Å; P391-T393 VanDerWaalsContact C-N 3.3Å; P391-T393 PolarHBondContact O-N 3.33Å; P391-L395 WeakPolarHBondContact O-CB 3.41Å; P391-L395 PolarHBondContact O-N 3.36Å; P391-L395 VanDerWaalsContact O-N 3.16Å; P391-F489 HydrophobicContact CB-CE2 3.97Å; P391-F489 HydrophobicContact CB-CZ 3.6Å; P391-F489 HydrophobicContact CG-CE2 4.49Å; P391-F489 HydrophobicContact CG-CZ 4.48Å; P391-V531 HydrophobicContact CB-CG2 4.47Å; P391-F535 HydrophobicContact CB-CE2 4.23Å; P391-F535 HydrophobicContact CG-CE2 4.34Å; P391-F535 HydrophobicContact CG-CZ 4.41Å |
| 392 | L | 75.7 | Confident | 75.1 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 175.9 | -175.7 | 63.9 | 0 | 0 | 0 | 111.5 | F376 F379 M380 M383 I389 E390 L396 | F376-L392 HydrophobicContact CE2-CD1 3.88Å; F376-L392 HydrophobicContact CZ-CD1 3.96Å; F376-L392 HydrophobicContact CZ-CD2 4.27Å; F376-L392 HydrophobicContact CZ-CG 4.38Å; F379-L392 HydrophobicContact CD1-CD1 4.23Å; F379-L392 HydrophobicContact CE1-CD1 3.8Å; M380-L392 HydrophobicContact CB-CD2 4.21Å; M380-L392 HydrophobicContact CG-CD2 4.17Å; M383-L392 HydrophobicContact CB-CD2 3.97Å; M383-L392 HydrophobicContact CE-CB 4.12Å; M383-L392 HydrophobicContact CG-CD2 4.26Å; I389-L392 PolarHBondContact O-N 3.45Å; E390-L392 VanDerWaalsContact C-N 3.32Å; E390-L392 PolarHBondContact O-N 3.42Å; L392-L396 HydrophobicContact CG-CD1 4.16Å; L392-L396 WeakPolarHBondContact O-CB 2.98Å; L392-L396 VanDerWaalsContact O-CG 3.25Å; L392-L396 WeakPolarHBondContact O-CG 3.03Å; L392-L396 PolarHBondContact O-N 3.43Å |
| 393 | T | 75.6 | Confident | 74.9 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 23% | 0.233 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.7 | -43.4 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | I389 E390 P391 L396 L397 I428 | I389-T393 WeakPolarHBondContact O-CB 3.13Å; I389-T393 PolarHBondContact O-N 2.9Å; I389-T393 PolarHBondContact O-OG1 3.41Å; E390-T393 WeakPolarHBondContact O-CB 3.48Å; E390-T393 PolarHBondContact O-N 2.99Å; E390-T393 VanDerWaalsContact O-N 3.08Å; P391-T393 VanDerWaalsContact C-N 3.3Å; P391-T393 PolarHBondContact O-N 3.33Å; T393-L396 PolarHBondContact O-N 2.81Å; T393-L397 HydrophobicContact CG2-CD1 4.03Å; T393-L397 VanDerWaalsContact O-CD1 3.28Å; T393-L397 WeakPolarHBondContact O-CD1 3.48Å; T393-L397 VanDerWaalsContact O-CG 3.23Å; T393-L397 WeakPolarHBondContact O-CG 3.21Å; T393-L397 PolarHBondContact O-N 3.24Å; T393-L397 VanDerWaalsContact O-N 3.12Å; T393-I428 HydrophobicContact CG2-CD1 3.69Å |
| 394 | V | 75.9 | Confident | 74.6 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | 174 | 176.1 | 0 | 0 | 0 | 0 | 111 | E390 L396 L397 M398 I428 F489 | E390-V394 PolarHBondContact O-N 3.19Å; V394-L396 PolarHBondContact O-N 2.91Å; V394-L397 PolarHBondContact O-N 2.96Å; V394-M398 HydrophobicContact CG1-CG 4.47Å; V394-M398 HydrophobicContact CG1-SD 4.09Å; V394-M398 WeakPolarHBondContact O-CG 3.4Å; V394-M398 PolarHBondContact O-N 3.06Å; V394-I428 HydrophobicContact CG2-CB 4.29Å; V394-I428 HydrophobicContact CG2-CD1 4.3Å; V394-I428 HydrophobicContact CG2-CG2 3.67Å; V394-F489 HydrophobicContact CB-CE2 4.3Å; V394-F489 HydrophobicContact CG1-CE2 4.5Å |
| 395 | L | 80.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.3 | -46.7 | 178.3 | 176.2 | 64.1 | 0 | 0 | 0 | 112.2 | I366 L370 P391 L397 Y399 V527 C528 V531 | I366-L395 HydrophobicContact CG2-CD1 3.97Å; I366-L395 HydrophobicContact CG2-CD2 3.84Å; I366-L395 HydrophobicContact CG2-CG 4.41Å; L370-L395 HydrophobicContact CD1-CD1 4.04Å; L370-L395 HydrophobicContact CD1-CD2 4.27Å; L370-L395 HydrophobicContact CD1-CG 3.99Å; L370-L395 HydrophobicContact CD2-CD2 4.41Å; L370-L395 HydrophobicContact CD2-CG 4.45Å; P391-L395 WeakPolarHBondContact O-CB 3.41Å; P391-L395 PolarHBondContact O-N 3.36Å; P391-L395 VanDerWaalsContact O-N 3.16Å; L395-L397 PolarHBondContact O-N 3.1Å; L395-Y399 WeakPolarHBondContact O-CB 3.3Å; L395-Y399 PolarHBondContact O-N 3.43Å; L395-V527 HydrophobicContact CB-CG1 4.09Å; L395-V527 HydrophobicContact CD1-CG1 4.05Å; L395-C528 VanDerWaalsContact CD1-SG 3.56Å; L395-V531 HydrophobicContact CD2-CG1 4.28Å; L395-V531 HydrophobicContact CD2-CG2 4.45Å |
| 396 | L | 79.4 | Confident | 74.1 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 177 | -78.9 | 168.5 | 0 | 0 | 0 | 113 | L370 F376 L392 T393 V394 Y399 Q400 | L370-L396 HydrophobicContact CD2-CD2 3.93Å; F376-L396 HydrophobicContact CE2-CD2 4.2Å; F376-L396 HydrophobicContact CZ-CD1 4.07Å; F376-L396 HydrophobicContact CZ-CD2 3.86Å; F376-L396 HydrophobicContact CZ-CG 4.3Å; L392-L396 HydrophobicContact CG-CD1 4.16Å; L392-L396 WeakPolarHBondContact O-CB 2.98Å; L392-L396 VanDerWaalsContact O-CG 3.25Å; L392-L396 WeakPolarHBondContact O-CG 3.03Å; L392-L396 PolarHBondContact O-N 3.43Å; T393-L396 PolarHBondContact O-N 2.81Å; V394-L396 PolarHBondContact O-N 2.91Å; L396-Y399 PolarHBondContact O-N 3Å; L396-Q400 WeakPolarHBondContact O-CB 3.42Å; L396-Q400 VanDerWaalsContact O-CG 3.26Å; L396-Q400 WeakPolarHBondContact O-CG 3.45Å; L396-Q400 PolarHBondContact O-N 2.93Å |
| 397 | L | 78.2 | Confident | 73.7 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.5 | -45.1 | -179.2 | -67.8 | 158 | 0 | 0 | 0 | 111.3 | T393 V394 L395 Y399 Q400 I401 Q421 H424 I425 I428 | T393-L397 HydrophobicContact CG2-CD1 4.03Å; T393-L397 VanDerWaalsContact O-CD1 3.28Å; T393-L397 WeakPolarHBondContact O-CD1 3.48Å; T393-L397 VanDerWaalsContact O-CG 3.23Å; T393-L397 WeakPolarHBondContact O-CG 3.21Å; T393-L397 PolarHBondContact O-N 3.24Å; T393-L397 VanDerWaalsContact O-N 3.12Å; V394-L397 PolarHBondContact O-N 2.96Å; L395-L397 PolarHBondContact O-N 3.1Å; L397-Y399 VanDerWaalsContact C-N 3.34Å; L397-Y399 PolarHBondContact O-N 2.65Å; L397-Q400 PolarHBondContact O-N 3.13Å; L397-I401 VanDerWaalsContact O-CG1 3.32Å; L397-I401 WeakPolarHBondContact O-CG1 3.37Å; L397-I401 PolarHBondContact O-N 3.49Å; L397-Q421 HydrophobicContact CD2-CB 4.31Å; L397-Q421 HydrophobicContact CD2-CG 4.23Å; L397-H424 WeakPolarHBondContact CD1-ND1 3.46Å; L397-I425 HydrophobicContact CB-CD1 3.77Å; L397-I425 HydrophobicContact CB-CG1 3.7Å; L397-I425 HydrophobicContact CD1-CG1 3.8Å; L397-I425 HydrophobicContact CG-CG1 4.35Å; L397-I428 HydrophobicContact CD1-CD1 4.05Å |
| 398 | M | 78.2 | Confident | 73.3 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.8 | -63.9 | -175.9 | 81.3 | 0 | 0 | 111.5 | V394 I401 N402 I425 F495 W520 Y524 V527 | V394-M398 HydrophobicContact CG1-CG 4.47Å; V394-M398 HydrophobicContact CG1-SD 4.09Å; V394-M398 WeakPolarHBondContact O-CG 3.4Å; V394-M398 PolarHBondContact O-N 3.06Å; M398-I401 PolarHBondContact O-N 2.89Å; M398-N402 WeakPolarHBondContact O-CB 3.47Å; M398-N402 VanDerWaalsContact O-CG 3.25Å; M398-N402 PolarHBondContact O-N 2.89Å; M398-N402 PolarHBondContact O-ND2 3.14Å; M398-I425 HydrophobicContact CG-CD1 3.95Å; M398-F495 HydrophobicContact CE-CZ 4.01Å; M398-W520 HydrophobicContact CB-CH2 4.38Å; M398-W520 HydrophobicContact CB-CZ2 4.13Å; M398-W520 HydrophobicContact CE-CD2 4.23Å; M398-W520 HydrophobicContact CE-CE3 4.3Å; M398-W520 HydrophobicContact CE-CH2 4.22Å; M398-W520 HydrophobicContact CE-CZ2 4.17Å; M398-W520 HydrophobicContact CE-CZ3 4.29Å; M398-W520 HydrophobicContact CG-CH2 4.04Å; M398-W520 HydrophobicContact CG-CZ2 4.23Å; M398-Y524 HydrophobicContact CB-CD2 3.9Å; M398-Y524 HydrophobicContact CB-CE2 4.42Å; M398-V527 HydrophobicContact SD-CG2 4.26Å |
| 399 | Y | 82.3 | Confident | 72.9 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 174.1 | -180 | -103.8 | 0 | 0 | 0 | 112.6 | L370 L395 L396 L397 S403 | L370-Y399 HydrophobicContact CB-CD1 4.42Å; L370-Y399 HydrophobicContact CB-CD2 4.5Å; L370-Y399 HydrophobicContact CB-CE1 4.23Å; L370-Y399 HydrophobicContact CB-CE2 4.33Å; L370-Y399 HydrophobicContact CD1-CD2 4.05Å; L370-Y399 HydrophobicContact CD1-CG 4.06Å; L395-Y399 WeakPolarHBondContact O-CB 3.3Å; L395-Y399 PolarHBondContact O-N 3.43Å; L396-Y399 PolarHBondContact O-N 3Å; L397-Y399 VanDerWaalsContact C-N 3.34Å; L397-Y399 PolarHBondContact O-N 2.65Å; Y399-S403 VanDerWaalsContact O-CB 3.31Å; Y399-S403 WeakPolarHBondContact O-CB 3.34Å; Y399-S403 PolarHBondContact O-N 2.78Å |
| 400 | Q | 77.2 | Confident | 72.2 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.1 | -76.7 | 175.7 | 13.2 | 0 | 0 | 112.5 | L396 L397 S403 R404 | L396-Q400 WeakPolarHBondContact O-CB 3.42Å; L396-Q400 VanDerWaalsContact O-CG 3.26Å; L396-Q400 WeakPolarHBondContact O-CG 3.45Å; L396-Q400 PolarHBondContact O-N 2.93Å; L397-Q400 PolarHBondContact O-N 3.13Å; Q400-S403 PolarHBondContact O-N 2.89Å; Q400-R404 WeakPolarHBondContact O-CB 3.43Å; Q400-R404 WeakPolarHBondContact O-CG 3.45Å; Q400-R404 PolarHBondContact O-N 3Å |
| 401 | I | 76.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 177 | -70.4 | 163.9 | 0 | 0 | 0 | 110.4 | L397 M398 S403 R404 V405 Q421 L422 I425 V515 W520 | L397-I401 VanDerWaalsContact O-CG1 3.32Å; L397-I401 WeakPolarHBondContact O-CG1 3.37Å; L397-I401 PolarHBondContact O-N 3.49Å; M398-I401 PolarHBondContact O-N 2.89Å; I401-S403 VanDerWaalsContact C-N 3.34Å; I401-S403 PolarHBondContact O-N 3.33Å; I401-R404 PolarHBondContact O-N 3.15Å; I401-V405 PolarHBondContact O-N 2.77Å; I401-Q421 HydrophobicContact CD1-CB 4Å; I401-Q421 HydrophobicContact CG1-CB 4.24Å; I401-L422 HydrophobicContact CD1-CD2 3.74Å; I401-L422 HydrophobicContact CD1-CG 4.17Å; I401-I425 HydrophobicContact CD1-CD1 3.74Å; I401-V515 HydrophobicContact CG2-CG2 3.64Å; I401-W520 HydrophobicContact CB-CH2 4.24Å; I401-W520 HydrophobicContact CB-CZ2 4.06Å; I401-W520 HydrophobicContact CD1-CH2 3.88Å; I401-W520 HydrophobicContact CG2-CH2 3.95Å; I401-W520 HydrophobicContact CG2-CZ2 3.73Å |
| 402 | N | 80.5 | Confident | 71.4 | Confident | 29 Ų | 29 | 52 Ų | 52 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.9 | -50.7 | 173.1 | -73.8 | -14.5 | 0 | 0 | 0 | 111 | M398 R404 V405 S406 W520 | M398-N402 WeakPolarHBondContact O-CB 3.47Å; M398-N402 VanDerWaalsContact O-CG 3.25Å; M398-N402 PolarHBondContact O-N 2.89Å; M398-N402 PolarHBondContact O-ND2 3.14Å; N402-R404 VanDerWaalsContact C-N 3.31Å; N402-R404 PolarHBondContact O-N 3.17Å; N402-V405 PolarHBondContact O-N 2.76Å; N402-S406 WeakPolarHBondContact O-CB 3.34Å; N402-S406 PolarHBondContact O-N 3.39Å; N402-S406 PolarHBondContact O-OG 3.21Å; N402-S406 VanDerWaalsContact O-OG 3.12Å; N402-W520 PolarHBondContact OD1-NE1 3.39Å |
| 403 | S | 74.9 | Confident | 70.8 | Confident | 28 Ų | 28 | 58 Ų | 58 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -33.1 | -177.7 | -144.4 | 0 | 0 | 0 | 0 | 113.2 | Y399 Q400 I401 K407 | Y399-S403 VanDerWaalsContact O-CB 3.31Å; Y399-S403 WeakPolarHBondContact O-CB 3.34Å; Y399-S403 PolarHBondContact O-N 2.78Å; Q400-S403 PolarHBondContact O-N 2.89Å; I401-S403 VanDerWaalsContact C-N 3.34Å; I401-S403 PolarHBondContact O-N 3.33Å; S403-K407 WeakPolarHBondContact O-CB 3.2Å; S403-K407 WeakPolarHBondContact O-CD 3.48Å; S403-K407 WeakPolarHBondContact O-CG 3.47Å; S403-K407 WeakPolarHBondContact OG-CE 3.34Å; S403-K407 PolarHBondContact OG-NZ 2.88Å |
| 404 | R | 68.4 | Low | 70.3 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.1 | -48.5 | 177.7 | -78.2 | 173.2 | 164.6 | -171.5 | -12.5 | 112 | Q400 I401 N402 S406 K407 S408 E417 Q421 | Q400-R404 WeakPolarHBondContact O-CB 3.43Å; Q400-R404 WeakPolarHBondContact O-CG 3.45Å; Q400-R404 PolarHBondContact O-N 3Å; I401-R404 PolarHBondContact O-N 3.15Å; N402-R404 VanDerWaalsContact C-N 3.31Å; N402-R404 PolarHBondContact O-N 3.17Å; R404-S406 VanDerWaalsContact C-N 3.26Å; R404-S406 PolarHBondContact O-N 3.12Å; R404-K407 PolarHBondContact O-N 2.8Å; R404-K407 VanDerWaalsContact O-N 3.11Å; R404-S408 PolarHBondContact O-N 2.93Å; R404-S408 PolarHBondContact O-OG 3.4Å; R404-E417 IonicContact CZ-OE1 2.66Å; R404-E417 IonicContact CZ-OE2 2.93Å; R404-E417 IonicContact NH1-OE1 3.6Å; R404-E417 PolarHBondContact NH1-OE1 3.09Å; R404-E417 IonicContact NH1-OE2 3.31Å; R404-E417 VanDerWaalsContact NH2-CD 3.28Å; R404-E417 IonicContact NH2-OE1 2.79Å; R404-E417 PolarHBondContact NH2-OE1 3.4Å; R404-E417 IonicContact NH2-OE2 2.64Å; R404-E417 PolarHBondContact NH2-OE2 3.34Å; R404-Q421 VanDerWaalsContact NH1-CD 3.34Å; R404-Q421 VanDerWaalsContact NH1-OE1 3.13Å |
| 405 | V | 71.5 | Confident | 69.8 | Low | 20 Ų | 20 | 57.7 Ų | 57.7 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -35.1 | 177.6 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | I401 N402 K407 L410 I511 N512 V515 | I401-V405 PolarHBondContact O-N 2.77Å; N402-V405 PolarHBondContact O-N 2.76Å; V405-K407 PolarHBondContact O-N 2.83Å; V405-L410 HydrophobicContact CG2-CD1 4.45Å; V405-I511 HydrophobicContact CG2-CG2 3.97Å; V405-N512 WeakPolarHBondContact CG1-OD1 3.39Å; V405-V515 HydrophobicContact CB-CG1 4.35Å; V405-V515 HydrophobicContact CG1-CB 4.23Å; V405-V515 HydrophobicContact CG1-CG1 4.07Å; V405-V515 HydrophobicContact CG2-CG2 4.02Å |
| 406 | S | 67.5 | Low | 69.3 | Low | 103 Ų | 103 | 64.6 Ų | 64.6 | 72% | 0.72 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8.2 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 115.9 | N402 R404 | N402-S406 WeakPolarHBondContact O-CB 3.34Å; N402-S406 PolarHBondContact O-N 3.39Å; N402-S406 PolarHBondContact O-OG 3.21Å; N402-S406 VanDerWaalsContact O-OG 3.12Å; R404-S406 VanDerWaalsContact C-N 3.26Å; R404-S406 PolarHBondContact O-N 3.12Å |
| 407 | K | 61.2 | Low | 68.9 | Low | 162 Ų | 162 | 67 Ų | 67 | 70% | 0.704 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -20.5 | -170.5 | -78.2 | 175.8 | -175.7 | 160 | 0 | 115.9 | S403 R404 V405 | S403-K407 WeakPolarHBondContact O-CB 3.2Å; S403-K407 WeakPolarHBondContact O-CD 3.48Å; S403-K407 WeakPolarHBondContact O-CG 3.47Å; S403-K407 WeakPolarHBondContact OG-CE 3.34Å; S403-K407 PolarHBondContact OG-NZ 2.88Å; R404-K407 PolarHBondContact O-N 2.8Å; R404-K407 VanDerWaalsContact O-N 3.11Å; V405-K407 PolarHBondContact O-N 2.83Å |
| 408 | S | 57.9 | Low | 68.7 | Low | 70 Ų | 70 | 66.4 Ų | 66.4 | 49% | 0.49 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -154.2 | 143.1 | -170.5 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | R404 L410 | R404-S408 PolarHBondContact O-N 2.93Å; R404-S408 PolarHBondContact O-OG 3.4Å; S408-L410 PolarHBondContact O-N 3.2Å |
| 409 | I | 56.8 | Low | 68.3 | Low | 173 Ų | 173 | 67.3 Ų | 67.3 | 89% | 0.887 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 124 | 162.5 | -64.7 | 168.3 | 0 | 0 | 0 | 107.7 | S411 | I409-S411 PolarHBondContact O-N 2.66Š|
| 410 | L | 60.3 | Low | 68 | Low | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 122.1 | -177.5 | -92.7 | 62.1 | 0 | 0 | 0 | 110.7 | V405 S408 I418 P508 I511 | V405-L410 HydrophobicContact CG2-CD1 4.45Å; S408-L410 PolarHBondContact O-N 3.2Å; L410-I418 HydrophobicContact CD2-CD1 4.07Å; L410-I418 HydrophobicContact CG-CD1 4.22Å; L410-P508 HydrophobicContact CB-CB 4.18Å; L410-I511 HydrophobicContact CD2-CB 3.84Å; L410-I511 HydrophobicContact CD2-CD1 3.88Å; L410-I511 HydrophobicContact CD2-CG1 4.47Å; L410-I511 HydrophobicContact CD2-CG2 3.76Å |
| 411 | S | 61.8 | Low | 68 | Low | 59 Ų | 59 | 64 Ų | 64 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 163.7 | 164 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | I409 D413 A414 C415 | I409-S411 PolarHBondContact O-N 2.66Å; S411-D413 VanDerWaalsContact C-N 3.26Å; S411-D413 PolarHBondContact O-N 2.88Å; S411-A414 PolarHBondContact O-N 2.93Å; S411-A414 VanDerWaalsContact O-N 3.16Å; S411-A414 WeakPolarHBondContact OG-CB 3.4Å; S411-A414 PolarHBondContact OG-N 3.09Å; S411-C415 PolarHBondContact O-N 3.24Å; S411-C415 VanDerWaalsContact O-N 3.11Å; S411-C415 PolarHBondContact O-SG 2.89Å |
| 412 | S | 60.8 | Low | 68.1 | Low | 94 Ų | 94 | 64.1 Ų | 64.1 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -54.4 | -44.4 | 173.6 | -164.5 | 0 | 0 | 0 | 0 | 111.6 | A414 C415 H416 | S412-A414 VanDerWaalsContact C-N 3.35Å; S412-A414 PolarHBondContact O-N 3.39Å; S412-C415 WeakPolarHBondContact O-CB 3.45Å; S412-C415 PolarHBondContact O-N 2.93Å; S412-H416 PolarHBondContact O-N 3.23Å |
| 413 | D | 61.1 | Low | 67.9 | Low | 129 Ų | 129 | 66.6 Ų | 66.6 | 69% | 0.69 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | 179 | -46.8 | -26.1 | 0 | 0 | 0 | 112.1 | S411 C415 H416 E417 | S411-D413 VanDerWaalsContact C-N 3.26Å; S411-D413 PolarHBondContact O-N 2.88Å; D413-C415 VanDerWaalsContact C-N 3.29Å; D413-C415 PolarHBondContact O-N 3.39Å; D413-H416 PolarHBondContact O-N 2.83Å; D413-E417 PolarHBondContact O-N 3.42Å; D413-E417 VanDerWaalsContact O-N 3.07Å |
| 414 | A | 65.7 | Low | 67.8 | Low | 27 Ų | 27 | 67.8 Ų | 67.8 | 22% | 0.223 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.2 | -29.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S411 S412 E417 I418 | S411-A414 PolarHBondContact O-N 2.93Å; S411-A414 VanDerWaalsContact O-N 3.16Å; S411-A414 WeakPolarHBondContact OG-CB 3.4Å; S411-A414 PolarHBondContact OG-N 3.09Å; S412-A414 VanDerWaalsContact C-N 3.35Å; S412-A414 PolarHBondContact O-N 3.39Å; A414-E417 PolarHBondContact O-N 3.43Å; A414-I418 WeakPolarHBondContact O-CB 3.48Å; A414-I418 VanDerWaalsContact O-CG1 3.25Å; A414-I418 WeakPolarHBondContact O-CG1 3.48Å; A414-I418 PolarHBondContact O-N 3.06Å |
| 415 | C | 66.8 | Low | 68.2 | Low | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 173.7 | -60 | 0 | 0 | 0 | 0 | 110.9 | S411 S412 D413 I418 S419 I511 | S411-C415 PolarHBondContact O-N 3.24Å; S411-C415 VanDerWaalsContact O-N 3.11Å; S411-C415 PolarHBondContact O-SG 2.89Å; S412-C415 WeakPolarHBondContact O-CB 3.45Å; S412-C415 PolarHBondContact O-N 2.93Å; D413-C415 VanDerWaalsContact C-N 3.29Å; D413-C415 PolarHBondContact O-N 3.39Å; C415-I418 PolarHBondContact O-N 2.99Å; C415-S419 WeakPolarHBondContact O-CB 3.48Å; C415-S419 PolarHBondContact O-N 3.49Å; C415-I511 HydrophobicContact CB-CD1 4.04Å |
| 416 | H | 69.6 | Low | 68.3 | Low | 145 Ų | 145 | 63.8 Ų | 63.8 | 67% | 0.671 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 172.9 | -99 | -70.5 | 0 | 0 | 0 | 112.2 | S412 D413 I418 S419 A420 | S412-H416 PolarHBondContact O-N 3.23Å; D413-H416 PolarHBondContact O-N 2.83Å; H416-I418 PolarHBondContact O-N 2.86Å; H416-S419 PolarHBondContact O-N 2.85Å; H416-S419 PolarHBondContact O-OG 2.92Å; H416-A420 PolarHBondContact O-N 3.39Å; H416-A420 VanDerWaalsContact O-N 3.1Å |
| 417 | E | 70.1 | Confident | 68.4 | Low | 99 Ų | 99 | 59.8 Ų | 59.8 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 179.3 | -145.7 | -159.1 | 136.1 | 0 | 0 | 112.5 | R404 D413 A414 Q421 | R404-E417 IonicContact CZ-OE1 2.66Å; R404-E417 IonicContact CZ-OE2 2.93Å; R404-E417 IonicContact NH1-OE1 3.6Å; R404-E417 PolarHBondContact NH1-OE1 3.09Å; R404-E417 IonicContact NH1-OE2 3.31Å; R404-E417 VanDerWaalsContact NH2-CD 3.28Å; R404-E417 IonicContact NH2-OE1 2.79Å; R404-E417 PolarHBondContact NH2-OE1 3.4Å; R404-E417 IonicContact NH2-OE2 2.64Å; R404-E417 PolarHBondContact NH2-OE2 3.34Å; D413-E417 PolarHBondContact O-N 3.42Å; D413-E417 VanDerWaalsContact O-N 3.07Å; A414-E417 PolarHBondContact O-N 3.43Å; E417-Q421 WeakPolarHBondContact O-CG 3.42Å; E417-Q421 PolarHBondContact O-N 2.94Å |
| 418 | I | 73.1 | Confident | 68.8 | Low | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.9 | -38 | 175 | -67.7 | 165.7 | 0 | 0 | 0 | 111.1 | L410 A414 C415 H416 A420 Q421 L422 I511 | L410-I418 HydrophobicContact CD2-CD1 4.07Å; L410-I418 HydrophobicContact CG-CD1 4.22Å; A414-I418 WeakPolarHBondContact O-CB 3.48Å; A414-I418 VanDerWaalsContact O-CG1 3.25Å; A414-I418 WeakPolarHBondContact O-CG1 3.48Å; A414-I418 PolarHBondContact O-N 3.06Å; C415-I418 PolarHBondContact O-N 2.99Å; H416-I418 PolarHBondContact O-N 2.86Å; I418-A420 VanDerWaalsContact C-N 3.31Å; I418-A420 PolarHBondContact O-N 3.42Å; I418-Q421 WeakPolarHBondContact O-CB 3.26Å; I418-Q421 PolarHBondContact O-N 2.66Å; I418-Q421 VanDerWaalsContact O-N 3.08Å; I418-L422 HydrophobicContact CG2-CD1 3.92Å; I418-L422 HydrophobicContact CG2-CG 4.17Å; I418-L422 WeakPolarHBondContact O-CG 3.36Å; I418-L422 PolarHBondContact O-N 2.68Å; I418-I511 HydrophobicContact CB-CD1 4.2Å; I418-I511 HydrophobicContact CD1-CG2 4.3Å; I418-I511 HydrophobicContact CG2-CD1 4.03Å; I418-I511 HydrophobicContact CG2-CG1 4.4Å; I418-I511 HydrophobicContact CG2-CG2 3.92Å |
| 419 | S | 71 | Confident | 69.3 | Low | 20 Ų | 20 | 50.9 Ų | 50.9 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.6 | 75.4 | 0 | 0 | 0 | 0 | 111.8 | C415 H416 Q421 L422 Q423 L503 | C415-S419 WeakPolarHBondContact O-CB 3.48Å; C415-S419 PolarHBondContact O-N 3.49Å; H416-S419 PolarHBondContact O-N 2.85Å; H416-S419 PolarHBondContact O-OG 2.92Å; S419-Q421 VanDerWaalsContact C-N 3.33Å; S419-Q421 PolarHBondContact O-N 3.15Å; S419-L422 PolarHBondContact O-N 2.81Å; S419-Q423 VanDerWaalsContact O-CB 3.29Å; S419-Q423 WeakPolarHBondContact O-CB 3.02Å; S419-Q423 PolarHBondContact O-N 2.63Å; S419-L503 WeakPolarHBondContact O-CD2 3.32Å |
| 420 | A | 75.1 | Confident | 69.6 | Low | 53 Ų | 53 | 45.7 Ų | 45.7 | 44% | 0.438 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H416 I418 H424 | H416-A420 PolarHBondContact O-N 3.39Å; H416-A420 VanDerWaalsContact O-N 3.1Å; I418-A420 VanDerWaalsContact C-N 3.31Å; I418-A420 PolarHBondContact O-N 3.42Å; A420-H424 VanDerWaalsContact O-CB 3.29Å; A420-H424 WeakPolarHBondContact O-CB 3.46Å; A420-H424 PolarHBondContact O-N 2.71Å |
| 421 | Q | 78.1 | Confident | 69.6 | Low | 20 Ų | 20 | 47.4 Ų | 47.4 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 175.1 | -69.9 | 179 | -27.5 | 0 | 0 | 112.4 | L397 I401 R404 E417 I418 S419 H424 I425 | L397-Q421 HydrophobicContact CD2-CB 4.31Å; L397-Q421 HydrophobicContact CD2-CG 4.23Å; I401-Q421 HydrophobicContact CD1-CB 4Å; I401-Q421 HydrophobicContact CG1-CB 4.24Å; R404-Q421 VanDerWaalsContact NH1-CD 3.34Å; R404-Q421 VanDerWaalsContact NH1-OE1 3.13Å; E417-Q421 WeakPolarHBondContact O-CG 3.42Å; E417-Q421 PolarHBondContact O-N 2.94Å; I418-Q421 WeakPolarHBondContact O-CB 3.26Å; I418-Q421 PolarHBondContact O-N 2.66Å; I418-Q421 VanDerWaalsContact O-N 3.08Å; S419-Q421 VanDerWaalsContact C-N 3.33Å; S419-Q421 PolarHBondContact O-N 3.15Å; Q421-H424 PolarHBondContact O-N 3.45Å; Q421-I425 WeakPolarHBondContact O-CG1 3.29Å; Q421-I425 PolarHBondContact O-N 2.9Å |
| 422 | L | 78.7 | Confident | 68.8 | Low | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.5 | -40 | 175.3 | -68.7 | 171.3 | 0 | 0 | 0 | 112.1 | I401 I418 S419 H424 I425 L426 L499 L503 L514 W520 | I401-L422 HydrophobicContact CD1-CD2 3.74Å; I401-L422 HydrophobicContact CD1-CG 4.17Å; I418-L422 HydrophobicContact CG2-CD1 3.92Å; I418-L422 HydrophobicContact CG2-CG 4.17Å; I418-L422 WeakPolarHBondContact O-CG 3.36Å; I418-L422 PolarHBondContact O-N 2.68Å; S419-L422 PolarHBondContact O-N 2.81Å; L422-H424 VanDerWaalsContact C-N 3.35Å; L422-I425 PolarHBondContact O-N 3.31Å; L422-L426 PolarHBondContact O-N 3.39Å; L422-L499 HydrophobicContact CB-CD2 4.33Å; L422-L499 HydrophobicContact CD2-CD2 3.77Å; L422-L503 HydrophobicContact CB-CD2 3.93Å; L422-L503 HydrophobicContact CB-CG 4.35Å; L422-L514 HydrophobicContact CD1-CD2 3.5Å; L422-L514 VanDerWaalsContact CD1-CD2 3.5Å; L422-L514 HydrophobicContact CD2-CD2 3.68Å; L422-L514 HydrophobicContact CG-CD2 4.26Å; L422-W520 HydrophobicContact CD2-CH2 4.11Å; L422-W520 HydrophobicContact CD2-CZ3 3.86Å |
| 423 | Q | 75.8 | Confident | 67.6 | Low | 81 Ų | 81 | 51.7 Ų | 51.7 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 173.4 | -169.7 | 176.4 | -0.4 | 0 | 0 | 110.3 | S419 I425 L426 N427 L503 | S419-Q423 VanDerWaalsContact O-CB 3.29Å; S419-Q423 WeakPolarHBondContact O-CB 3.02Å; S419-Q423 PolarHBondContact O-N 2.63Å; Q423-I425 PolarHBondContact O-N 3.44Å; Q423-L426 PolarHBondContact O-N 2.96Å; Q423-N427 WeakPolarHBondContact O-CB 3.28Å; Q423-N427 PolarHBondContact O-N 2.88Å; Q423-N427 PolarHBondContact O-ND2 3.15Å; Q423-N427 VanDerWaalsContact O-ND2 3.13Å; Q423-L503 HydrophobicContact CB-CD1 4.41Å; Q423-L503 HydrophobicContact CB-CD2 4.04Å |
| 424 | H | 73.7 | Confident | 66.2 | Low | 54 Ų | 54 | 49.3 Ų | 49.3 | 25% | 0.25 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 174.5 | -169.6 | -117.8 | 0 | 0 | 0 | 112.8 | L397 A420 Q421 L422 I428 | L397-H424 WeakPolarHBondContact CD1-ND1 3.46Å; A420-H424 VanDerWaalsContact O-CB 3.29Å; A420-H424 WeakPolarHBondContact O-CB 3.46Å; A420-H424 PolarHBondContact O-N 2.71Å; Q421-H424 PolarHBondContact O-N 3.45Å; L422-H424 VanDerWaalsContact C-N 3.35Å; H424-I428 WeakPolarHBondContact O-CG1 3.42Å; H424-I428 PolarHBondContact O-N 2.99Å; H424-I428 VanDerWaalsContact O-N 3.09Å |
| 425 | I | 75.3 | Confident | 64.5 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -52.8 | 170 | -68.8 | 169.2 | 0 | 0 | 0 | 110.5 | L397 M398 I401 Q421 L422 Q423 N427 I428 L429 L499 W520 | L397-I425 HydrophobicContact CB-CD1 3.77Å; L397-I425 HydrophobicContact CB-CG1 3.7Å; L397-I425 HydrophobicContact CD1-CG1 3.8Å; L397-I425 HydrophobicContact CG-CG1 4.35Å; M398-I425 HydrophobicContact CG-CD1 3.95Å; I401-I425 HydrophobicContact CD1-CD1 3.74Å; Q421-I425 WeakPolarHBondContact O-CG1 3.29Å; Q421-I425 PolarHBondContact O-N 2.9Å; L422-I425 PolarHBondContact O-N 3.31Å; Q423-I425 PolarHBondContact O-N 3.44Å; I425-N427 PolarHBondContact O-N 2.88Å; I425-I428 PolarHBondContact O-N 3.39Å; I425-L429 HydrophobicContact CG2-CD1 3.75Å; I425-L429 HydrophobicContact CG2-CG 4.21Å; I425-L429 VanDerWaalsContact O-CG 3.3Å; I425-L429 WeakPolarHBondContact O-CG 3.27Å; I425-L429 PolarHBondContact O-N 3.43Å; I425-L499 HydrophobicContact CG2-CD1 4Å; I425-W520 HydrophobicContact CD1-CH2 4.2Å |
| 426 | L | 73.3 | Confident | 62.8 | Low | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.3 | -38.6 | -179.2 | -179.4 | 61.6 | 0 | 0 | 0 | 112.1 | L422 Q423 L429 N430 L499 K500 L503 | L422-L426 PolarHBondContact O-N 3.39Å; Q423-L426 PolarHBondContact O-N 2.96Å; L426-L429 CarbonylContact O-C 3.58Å; L426-L429 PolarHBondContact O-N 3.34Å; L426-N430 WeakPolarHBondContact CD1-ND2 3.27Å; L426-N430 WeakPolarHBondContact O-CB 3.39Å; L426-N430 PolarHBondContact O-N 2.89Å; L426-N430 PolarHBondContact O-ND2 2.92Å; L426-L499 HydrophobicContact CD1-CB 4.36Å; L426-K500 HydrophobicContact CD2-CG 4.03Å; L426-L503 HydrophobicContact CB-CD1 4.31Å; L426-L503 HydrophobicContact CD2-CD1 3.59Å |
| 427 | N | 69.3 | Low | 60.8 | Low | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 178.2 | -77.5 | -15.6 | 0 | 0 | 0 | 112.8 | Q423 I425 L429 N430 G431 Q432 L434 | Q423-N427 WeakPolarHBondContact O-CB 3.28Å; Q423-N427 PolarHBondContact O-N 2.88Å; Q423-N427 PolarHBondContact O-ND2 3.15Å; Q423-N427 VanDerWaalsContact O-ND2 3.13Å; I425-N427 PolarHBondContact O-N 2.88Å; N427-L429 VanDerWaalsContact C-N 3.34Å; N427-N430 PolarHBondContact O-N 2.96Å; N427-G431 PolarHBondContact O-N 3.39Å; N427-G431 VanDerWaalsContact O-N 3.11Å; N427-Q432 CarbonylContact C-O 3.55Å; N427-Q432 WeakPolarHBondContact CB-O 3.36Å; N427-Q432 PolarHBondContact O-N 3.38Å; N427-L434 WeakPolarHBondContact ND2-CD2 3.38Å; N427-L434 WeakPolarHBondContact ND2-CG 3.41Å |
| 428 | I | 71.1 | Confident | 58.9 | Low | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.118 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 171.3 | -64.4 | 162 | 0 | 0 | 0 | 110.1 | E390 T393 V394 L397 H424 I425 N430 G431 | E390-I428 HydrophobicContact CB-CG2 4.41Å; T393-I428 HydrophobicContact CG2-CD1 3.69Å; V394-I428 HydrophobicContact CG2-CB 4.29Å; V394-I428 HydrophobicContact CG2-CD1 4.3Å; V394-I428 HydrophobicContact CG2-CG2 3.67Å; L397-I428 HydrophobicContact CD1-CD1 4.05Å; H424-I428 WeakPolarHBondContact O-CG1 3.42Å; H424-I428 PolarHBondContact O-N 2.99Å; H424-I428 VanDerWaalsContact O-N 3.09Å; I425-I428 PolarHBondContact O-N 3.39Å; I428-N430 PolarHBondContact O-N 3.24Å; I428-G431 PolarHBondContact O-N 3.39Å; I428-G431 VanDerWaalsContact O-N 3.16Å |
| 429 | L | 67.7 | Low | 57 | Low | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.5 | -18.8 | 179.8 | -67 | -179.8 | 0 | 0 | 0 | 114.3 | I425 L426 N427 I491 F495 K496 L499 | I425-L429 HydrophobicContact CG2-CD1 3.75Å; I425-L429 HydrophobicContact CG2-CG 4.21Å; I425-L429 VanDerWaalsContact O-CG 3.3Å; I425-L429 WeakPolarHBondContact O-CG 3.27Å; I425-L429 PolarHBondContact O-N 3.43Å; L426-L429 CarbonylContact O-C 3.58Å; L426-L429 PolarHBondContact O-N 3.34Å; N427-L429 VanDerWaalsContact C-N 3.34Å; L429-I491 HydrophobicContact CD1-CD1 4.33Å; L429-I491 HydrophobicContact CD2-CD1 3.42Å; L429-I491 VanDerWaalsContact CD2-CD1 3.42Å; L429-F495 HydrophobicContact CD1-CD1 4.3Å; L429-F495 HydrophobicContact CD1-CE1 4.04Å; L429-K496 PolarHBondContact O-NZ 3.44Å; L429-L499 HydrophobicContact CD1-CD1 3.9Å |
| 430 | N | 63.9 | Low | 55 | Low | 64 Ų | 64 | 74.7 Ų | 74.7 | 34% | 0.342 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 0.2 | 175.9 | -67.6 | -17.9 | 0 | 0 | 0 | 113.2 | L426 N427 I428 Q432 K496 | L426-N430 WeakPolarHBondContact CD1-ND2 3.27Å; L426-N430 WeakPolarHBondContact O-CB 3.39Å; L426-N430 PolarHBondContact O-N 2.89Å; L426-N430 PolarHBondContact O-ND2 2.92Å; N427-N430 PolarHBondContact O-N 2.96Å; I428-N430 PolarHBondContact O-N 3.24Å; N430-Q432 PolarHBondContact O-N 2.85Å; N430-K496 PolarHBondContact OD1-NZ 3.32Å |
| 431 | G | 58.7 | Low | 53.1 | Low | 54 Ų | 54 | 79.3 Ų | 79.3 | 56% | 0.557 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 19.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N427 I428 | N427-G431 PolarHBondContact O-N 3.39Å; N427-G431 VanDerWaalsContact O-N 3.11Å; I428-G431 PolarHBondContact O-N 3.39Å; I428-G431 VanDerWaalsContact O-N 3.16Å |
| 432 | Q | 44.9 | Very low | 50.8 | Low | 127 Ų | 127 | 83.9 Ų | 83.9 | 59% | 0.593 | 45% | 0.454 | S | S | * | . | trans | -116.4 | 99.1 | -174.9 | -71 | -178.3 | -44.8 | 0 | 0 | 110.4 | N427 N430 | N427-Q432 CarbonylContact C-O 3.55Å; N427-Q432 WeakPolarHBondContact CB-O 3.36Å; N427-Q432 PolarHBondContact O-N 3.38Å; N430-Q432 PolarHBondContact O-N 2.85Å | ||
| 433 | M | 36.4 | Very low | 48.4 | Very low | 117 Ų | 117 | 91.5 Ų | 91.5 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | trans | -68 | 143.3 | 166.3 | -77.5 | -101.3 | 70.2 | 0 | 0 | 110.4 | N435 | M433-N435 PolarHBondContact O-N 3.29Š| ||
| 434 | L | 32.3 | Very low | 46.3 | Very low | 78 Ų | 78 | 93.4 Ų | 93.4 | 41% | 0.408 | 50% | 0.504 | S | S | . | . | trans | -60.9 | 126.7 | -175 | -78 | 161.7 | 0 | 0 | 0 | 113.1 | N427 | N427-L434 WeakPolarHBondContact ND2-CD2 3.38Å; N427-L434 WeakPolarHBondContact ND2-CG 3.41Å | ||
| 435 | N | 30 | Very low | 44.1 | Very low | 161 Ų | 161 | 97.3 Ų | 97.3 | 86% | 0.861 | 53% | 0.527 | S | S | * | . | trans | -107.4 | 109.6 | 151.7 | -79.6 | -19.9 | 0 | 0 | 0 | 107.5 | M433 | M433-N435 PolarHBondContact O-N 3.29Š| ||
| 436 | D | 30.4 | Very low | 42.1 | Very low | 124 Ų | 124 | 104.8 Ų | 104.8 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | trans | -80 | 129.4 | 165.2 | -66.1 | -43.9 | 0 | 0 | 0 | 109.5 | ||||
| 437 | N | 28.1 | Very low | 39.9 | Very low | 154 Ų | 154 | 110.9 Ų | 110.9 | 82% | 0.824 | 60% | 0.598 | S | S | * | * | trans | 169.8 | 142.9 | 148 | -86.3 | -31 | 0 | 0 | 0 | 108.2 | ||||
| 438 | N | 30.7 | Very low | 38 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 78% | 0.775 | 63% | 0.627 | S | S | * | * | trans | 100.3 | 133.8 | -165.6 | -71 | 40.3 | 0 | 0 | 0 | 112.4 | ||||
| 439 | D | 33.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | cis | -145.4 | 171.8 | -0.2 | -104.9 | -47.1 | 0 | 0 | 0 | 112 | ||||
| 440 | N | 29 | Very low | 34.2 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | trans | -36.3 | 153.5 | 177.7 | -39.6 | -85.1 | 0 | 0 | 0 | 117.7 | ||||
| 441 | D | 33.7 | Very low | 32.4 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | -165.3 | 139.2 | 115.3 | -106 | -21.9 | 0 | 0 | 0 | 117.1 | |||||
| 442 | T | 31.1 | Very low | 31 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | trans | 29.4 | 126.7 | 154.4 | 59.5 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 443 | M | 27.7 | Very low | 30.2 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | 88.5 | 139.9 | 129.2 | -74.3 | -57.8 | -159.9 | 0 | 0 | 124.5 | |||||
| 444 | D | 32.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | trans | 62.4 | 93.6 | 148.4 | -73.2 | -48.8 | 0 | 0 | 0 | 123.2 | ||||
| 445 | N | 27.7 | Very low | 29.6 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | 72.6 | 151.2 | 108.8 | -88.4 | -52.2 | 0 | 0 | 0 | 122.8 | |||||
| 446 | I | 32.9 | Very low | 29.4 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | 71.3 | 90.4 | 168.5 | -57.9 | 152.1 | 0 | 0 | 0 | 114 | ||||
| 447 | D | 27.3 | Very low | 29.3 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | 85.1 | 152 | 67.2 | -152.3 | 11.4 | 0 | 0 | 0 | 114.1 | |||||
| 448 | M | 29.7 | Very low | 29.2 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | trans | 69.2 | 84.7 | 173.4 | -58.1 | -59.7 | -66.5 | 0 | 0 | 121.6 | ||||
| 449 | D | 26.8 | Very low | 29.2 | Very low | 127 Ų | 127 | 153 Ų | 153 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | 71.8 | 156.3 | 110.7 | -124.8 | -27.3 | 0 | 0 | 0 | 124.8 | |||||
| 450 | H | 30.8 | Very low | 28.9 | Very low | 149 Ų | 149 | 155 Ų | 155 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 69 | 92 | 157.8 | -80 | 43.3 | 0 | 0 | 0 | 122.3 | ||||
| 451 | H | 27.8 | Very low | 28.9 | Very low | 161 Ų | 161 | 156.3 Ų | 156.3 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | 75.5 | 149 | 115.4 | -98 | 24.8 | 0 | 0 | 0 | 124.1 | |||||
| 452 | H | 28.8 | Very low | 28.8 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | trans | 68.9 | 102.3 | 162.4 | -70.2 | -13.7 | 0 | 0 | 0 | 120.2 | ||||
| 453 | D | 26.8 | Very low | 28.7 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | 11.8 | 124.1 | 123.6 | -63.3 | -67.7 | 0 | 0 | 0 | 117.7 | |||||
| 454 | H | 27.9 | Very low | 28.8 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | -163.8 | 154.6 | 117.5 | -118.7 | -94.6 | 0 | 0 | 0 | 114 | |||||
| 455 | H | 28.1 | Very low | 28.8 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 68% | 0.676 | 72% | 0.715 | S | S | * | * | trans | 65 | 86.3 | 160 | -67 | -55.4 | 0 | 0 | 0 | 121.6 | R457 | H455-R457 PolarHBondContact O-N 2.95Š| ||
| 456 | H | 26.7 | Very low | 29 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 75% | 0.75 | 71% | 0.709 | S | S | * | * | 12.6 | 98 | 113.3 | -63.4 | -71.6 | 0 | 0 | 0 | 117.9 | |||||
| 457 | R | 28.4 | Very low | 28.9 | Very low | 247 Ų | 247 | 149.5 Ų | 149.5 | 93% | 0.932 | 70% | 0.695 | S | S | * | * | trans | -158.6 | 9.4 | 151.8 | -121.9 | 173.1 | -161.4 | -142.1 | 2.1 | 120.2 | H455 | H455-R457 PolarHBondContact O-N 2.95Š| ||
| 458 | R | 26.8 | Very low | 29.1 | Very low | 221 Ų | 221 | 146.4 Ų | 146.4 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | trans | -119.2 | 12.9 | -177.3 | -75.4 | -174.7 | 172.4 | 169.2 | -2.7 | 117.2 | H460 | R458-H460 PolarHBondContact O-N 3.41Š| ||
| 459 | H | 29.2 | Very low | 29.1 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 0.3 | -176.7 | -75.9 | -77.1 | 0 | 0 | 0 | 117.1 | ||
| 460 | H | 28.2 | Very low | 29.1 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 4.1 | -177.9 | -103.4 | -76.8 | 0 | 0 | 0 | 116 | R458 | R458-H460 PolarHBondContact O-N 3.41Š|
| 461 | H | 29.2 | Very low | 29.1 | Very low | 157 Ų | 157 | 149 Ų | 149 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -19.3 | 171 | -87.4 | 7 | 0 | 0 | 0 | 114.6 | S463 | H461-S463 PolarHBondContact O-N 3.32Š|
| 462 | Q | 30.2 | Very low | 29.2 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 56% | 0.561 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.3 | -27.2 | 173 | -125.8 | 76 | 14.1 | 0 | 0 | 113.5 | Y465 Q466 | Q462-Y465 PolarHBondContact O-N 2.53Å; Q462-Q466 PolarHBondContact O-N 3.03Å |
| 463 | S | 28.9 | Very low | 29.1 | Very low | 51 Ų | 51 | 140.8 Ų | 140.8 | 36% | 0.357 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.1 | -40.7 | -173.8 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | H461 Y465 Q466 I467 | H461-S463 PolarHBondContact O-N 3.32Å; S463-Y465 VanDerWaalsContact C-N 3.32Å; S463-Q466 PolarHBondContact O-N 3.11Å; S463-I467 WeakPolarHBondContact O-CD1 3.45Å; S463-I467 VanDerWaalsContact O-CG1 3.26Å; S463-I467 WeakPolarHBondContact O-CG1 3.38Å; S463-I467 PolarHBondContact O-N 2.94Å |
| 464 | I | 31.3 | Very low | 29 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.8 | -40.2 | 176.3 | -62.5 | 176.4 | 0 | 0 | 0 | 110 | I467 S468 | I464-I467 PolarHBondContact O-N 3.35Å; I464-S468 PolarHBondContact O-N 3.13Å |
| 465 | Y | 30.5 | Very low | 29 | Very low | 178 Ų | 178 | 139 Ų | 139 | 70% | 0.698 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66 | -38 | 178.2 | -146.1 | -94.5 | 0 | 0 | 0 | 112.4 | Q462 S463 K469 | Q462-Y465 PolarHBondContact O-N 2.53Å; S463-Y465 VanDerWaalsContact C-N 3.32Å; Y465-K469 PolarHBondContact O-N 3.11Å |
| 466 | Q | 33 | Very low | 28.9 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 62% | 0.621 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.3 | -33.7 | 174.1 | -74.1 | -170.4 | -14 | 0 | 0 | 113.5 | Q462 S463 K469 M470 | Q462-Q466 PolarHBondContact O-N 3.03Å; S463-Q466 PolarHBondContact O-N 3.11Å; Q466-K469 CarbonylContact O-C 3.5Å; Q466-K469 PolarHBondContact O-N 3.43Å; Q466-M470 PolarHBondContact O-N 3.48Å |
| 467 | I | 31.3 | Very low | 29 | Very low | 96 Ų | 96 | 135 Ų | 135 | 49% | 0.492 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 174.6 | -71.3 | 164.9 | 0 | 0 | 0 | 110.6 | S463 I464 K469 M470 F471 | S463-I467 WeakPolarHBondContact O-CD1 3.45Å; S463-I467 VanDerWaalsContact O-CG1 3.26Å; S463-I467 WeakPolarHBondContact O-CG1 3.38Å; S463-I467 PolarHBondContact O-N 2.94Å; I464-I467 PolarHBondContact O-N 3.35Å; I467-K469 VanDerWaalsContact C-N 3.28Å; I467-K469 PolarHBondContact O-N 3.2Å; I467-M470 PolarHBondContact O-N 2.81Å; I467-M470 VanDerWaalsContact O-N 3.1Å; I467-F471 HydrophobicContact CG2-CD2 4.02Å; I467-F471 HydrophobicContact CG2-CE2 4.14Å; I467-F471 PolarHBondContact O-N 3.45Å |
| 468 | S | 30.2 | Very low | 29 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.2 | -43 | 171.5 | -174 | 0 | 0 | 0 | 0 | 112 | I464 M470 F471 T472 | I464-S468 PolarHBondContact O-N 3.13Å; S468-M470 VanDerWaalsContact C-N 3.26Å; S468-M470 PolarHBondContact O-N 2.88Å; S468-F471 PolarHBondContact O-N 3.06Å; S468-T472 PolarHBondContact O-OG1 3.39Å; S468-T472 VanDerWaalsContact O-OG1 3.07Å |
| 469 | K | 29.5 | Very low | 28.9 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.7 | -11.2 | 178.4 | -152.3 | 164.3 | -171 | 167.8 | 0 | 114.5 | Y465 Q466 I467 | Y465-K469 PolarHBondContact O-N 3.11Å; Q466-K469 CarbonylContact O-C 3.5Å; Q466-K469 PolarHBondContact O-N 3.43Å; I467-K469 VanDerWaalsContact C-N 3.28Å; I467-K469 PolarHBondContact O-N 3.2Å |
| 470 | M | 27.5 | Very low | 28.8 | Very low | 157 Ų | 157 | 120.9 Ų | 120.9 | 77% | 0.773 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -93.1 | -28.1 | 171.9 | -81.3 | -167.7 | 154.5 | 0 | 0 | 113.8 | Q466 I467 S468 | Q466-M470 PolarHBondContact O-N 3.48Å; I467-M470 PolarHBondContact O-N 2.81Å; I467-M470 VanDerWaalsContact O-N 3.1Å; S468-M470 VanDerWaalsContact C-N 3.26Å; S468-M470 PolarHBondContact O-N 2.88Å |
| 471 | F | 30.1 | Very low | 28.8 | Very low | 161 Ų | 161 | 117.8 Ų | 117.8 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -82.3 | -15.2 | -179.7 | -88.6 | -81.7 | 0 | 0 | 0 | 114.6 | I467 S468 Q473 | I467-F471 HydrophobicContact CG2-CD2 4.02Å; I467-F471 HydrophobicContact CG2-CE2 4.14Å; I467-F471 PolarHBondContact O-N 3.45Å; S468-F471 PolarHBondContact O-N 3.06Å; F471-Q473 VanDerWaalsContact C-N 3.31Å; F471-Q473 PolarHBondContact O-N 2.71Å |
| 472 | T | 29.7 | Very low | 28.8 | Very low | 76 Ų | 76 | 114 Ų | 114 | 47% | 0.466 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | 1.5 | -178.2 | 31.2 | 0 | 0 | 0 | 0 | 114.8 | K36 S468 | K36-T472 PolarHBondContact NZ-O 3.48Å; S468-T472 PolarHBondContact O-OG1 3.39Å; S468-T472 VanDerWaalsContact O-OG1 3.07Å |
| 473 | Q | 28 | Very low | 28.8 | Very low | 69 Ų | 69 | 112.4 Ų | 112.4 | 32% | 0.322 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97 | 13 | -170.9 | -74.3 | -168.6 | -14.2 | 0 | 0 | 117.1 | K36 F471 | K36-Q473 WeakPolarHBondContact CE-O 3.22Å; K36-Q473 WeakPolarHBondContact CG-O 3.37Å; F471-Q473 VanDerWaalsContact C-N 3.31Å; F471-Q473 PolarHBondContact O-N 2.71Å |
| 474 | N | 25.4 | Very low | 29 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -125.4 | 85.6 | 173.1 | -84 | -24.5 | 0 | 0 | 0 | 113.3 | ||
| 475 | Q | 27.1 | Very low | 29.3 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | trans | 177.9 | 127.6 | 158.1 | -107 | 172.2 | 15.2 | 0 | 0 | 108.7 | K36 | K36-Q475 WeakPolarHBondContact CE-O 3.45Å; K36-Q475 PolarHBondContact NZ-O 3.22Å | ||
| 476 | S | 25.5 | Very low | 29.7 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 70% | 0.699 | 60% | 0.598 | S | S | * | * | trans | -156.9 | 74.8 | 171 | 51.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 477 | T | 29.1 | Very low | 30.3 | Very low | 123 Ų | 123 | 115.4 Ų | 115.4 | 76% | 0.755 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -145 | 151.6 | -178.3 | 45.1 | 0 | 0 | 0 | 0 | 107.6 | ||
| 478 | E | 27.7 | Very low | 31.2 | Very low | 77 Ų | 77 | 111.7 Ų | 111.7 | 36% | 0.36 | 58% | 0.583 | S | S | . | * | trans | -58 | 148.3 | -167 | -67.6 | 158.4 | -158.5 | 0 | 0 | 114.7 | I480 Q1352 | E478-I480 VanDerWaalsContact C-N 3.27Å; E478-I480 PolarHBondContact O-N 2.91Å; E478-Q1352 PolarHBondContact OE1-NE2 3.41Å | ||
| 479 | P | 24.7 | Very low | 32.3 | Very low | 135 Ų | 135 | 109 Ų | 109 | 88% | 0.877 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 57.6 | -170.2 | 35.7 | -38.5 | 0 | 0 | 0 | 113.5 | ||
| 480 | I | 28.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 108.8 Ų | 108.8 | 59% | 0.585 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -24.1 | -173.3 | -61.6 | -178.1 | 0 | 0 | 0 | 113.7 | E478 | E478-I480 VanDerWaalsContact C-N 3.27Å; E478-I480 PolarHBondContact O-N 2.91Å |
| 481 | T | 28.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 102.6 Ų | 102.6 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -100.7 | -20.4 | -172.5 | 52 | 0 | 0 | 0 | 0 | 116.6 | S483 | T481-S483 VanDerWaalsContact C-N 3.33Å; T481-S483 PolarHBondContact O-N 3.48Å |
| 482 | N | 28.2 | Very low | 36.5 | Very low | 77 Ų | 77 | 97.3 Ų | 97.3 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -79 | -11.5 | -169.6 | -69.5 | 4.3 | 0 | 0 | 0 | 114.6 | R484 H485 | N482-R484 PolarHBondContact O-N 2.77Å; N482-R484 VanDerWaalsContact O-N 3.16Å; N482-H485 PolarHBondContact O-N 3.4Å |
| 483 | S | 30.3 | Very low | 38.1 | Very low | 86 Ų | 86 | 99.5 Ų | 99.5 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -58.9 | -28.5 | -177.6 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | T481 | T481-S483 VanDerWaalsContact C-N 3.33Å; T481-S483 PolarHBondContact O-N 3.48Å |
| 484 | R | 32.7 | Very low | 39.8 | Very low | 209 Ų | 209 | 101.8 Ų | 101.8 | 79% | 0.789 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -78.5 | -21.4 | 176.3 | -71 | -176.3 | 175.7 | 175 | -1 | 114.2 | N482 | N482-R484 PolarHBondContact O-N 2.77Å; N482-R484 VanDerWaalsContact O-N 3.16Å |
| 485 | H | 37.2 | Very low | 42.1 | Very low | 114 Ų | 114 | 95.4 Ų | 95.4 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -24.6 | 178.8 | -82 | -89.6 | 0 | 0 | 0 | 113.1 | N482 I488 | N482-H485 PolarHBondContact O-N 3.4Å; H485-I488 VanDerWaalsContact O-CD1 3.22Å; H485-I488 WeakPolarHBondContact O-CD1 3.29Å; H485-I488 WeakPolarHBondContact O-CG1 3.49Å |
| 486 | L | 39.9 | Very low | 44.2 | Very low | 72 Ų | 72 | 91.4 Ų | 91.4 | 38% | 0.377 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6.5 | 177.6 | -78.8 | 158.9 | 0 | 0 | 0 | 114.3 | I488 | L486-I488 PolarHBondContact O-N 2.96Š|
| 487 | Q | 46.3 | Very low | 46.2 | Very low | 152 Ų | 152 | 91.2 Ų | 91.2 | 71% | 0.71 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -1.8 | 167.7 | -72.8 | -174.8 | -30.1 | 0 | 0 | 113.7 | F489 | Q487-F489 VanDerWaalsContact C-N 3.28Å; Q487-F489 PolarHBondContact O-N 2.69Å |
| 488 | I | 49 | Very low | 48.2 | Very low | 18 Ų | 18 | 87.1 Ų | 87.1 | 9% | 0.092 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -59.1 | -38.3 | -175.9 | -72.7 | 175 | 0 | 0 | 0 | 112 | H485 L486 T530 | H485-I488 VanDerWaalsContact O-CD1 3.22Å; H485-I488 WeakPolarHBondContact O-CD1 3.29Å; H485-I488 WeakPolarHBondContact O-CG1 3.49Å; L486-I488 PolarHBondContact O-N 2.96Å; I488-T530 HydrophobicContact CG2-CG2 3.73Å; I488-T530 VanDerWaalsContact O-CG2 3.28Å; I488-T530 WeakPolarHBondContact O-CG2 3.18Å |
| 489 | F | 53.5 | Low | 50.3 | Low | 23 Ų | 23 | 83.4 Ų | 83.4 | 10% | 0.101 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -101 | 123.7 | 173.2 | -54.2 | -63.5 | 0 | 0 | 0 | 110.2 | P391 V394 Q487 I491 V527 T530 V531 | P391-F489 HydrophobicContact CB-CE2 3.97Å; P391-F489 HydrophobicContact CB-CZ 3.6Å; P391-F489 HydrophobicContact CG-CE2 4.49Å; P391-F489 HydrophobicContact CG-CZ 4.48Å; V394-F489 HydrophobicContact CB-CE2 4.3Å; V394-F489 HydrophobicContact CG1-CE2 4.5Å; Q487-F489 VanDerWaalsContact C-N 3.28Å; Q487-F489 PolarHBondContact O-N 2.69Å; F489-I491 HydrophobicContact CB-CD1 3.55Å; F489-I491 HydrophobicContact CB-CG1 3.69Å; F489-I491 HydrophobicContact CD2-CD1 4.29Å; F489-I491 HydrophobicContact CG-CD1 4.23Å; F489-I491 PolarHBondContact O-N 3.09Å; F489-V527 HydrophobicContact CD1-CB 4.22Å; F489-V527 HydrophobicContact CD1-CG1 4.43Å; F489-V527 HydrophobicContact CD1-CG2 3.77Å; F489-V527 HydrophobicContact CE1-CB 4Å; F489-V527 HydrophobicContact CE1-CG1 3.76Å; F489-V527 HydrophobicContact CE1-CG2 3.93Å; F489-V527 HydrophobicContact CG-CG2 4.07Å; F489-V527 HydrophobicContact CZ-CG1 3.9Å; F489-V527 HydrophobicContact CZ-CG2 4.34Å; F489-T530 HydrophobicContact CD1-CG2 3.74Å; F489-T530 HydrophobicContact CE1-CG2 3.97Å; F489-V531 HydrophobicContact CE1-CG2 4.06Å; F489-V531 HydrophobicContact CZ-CG2 4.28Å |
| 490 | N | 52.7 | Low | 52.5 | Low | 153 Ų | 153 | 81.4 Ų | 81.4 | 82% | 0.818 | 41% | 0.408 | S | S | * | . | trans | -78.5 | 65.9 | 177.6 | -166.2 | 16.2 | 0 | 0 | 0 | 111 | ||||
| 491 | I | 59.3 | Low | 54.5 | Low | 27 Ų | 27 | 80.1 Ų | 80.1 | 14% | 0.138 | 41% | 0.406 | C | S | . | . | trans | -85.2 | 119.8 | -172.5 | -71.3 | 168.9 | 0 | 0 | 0 | 110.2 | L429 F489 F495 | L429-I491 HydrophobicContact CD1-CD1 4.33Å; L429-I491 HydrophobicContact CD2-CD1 3.42Å; L429-I491 VanDerWaalsContact CD2-CD1 3.42Å; F489-I491 HydrophobicContact CB-CD1 3.55Å; F489-I491 HydrophobicContact CB-CG1 3.69Å; F489-I491 HydrophobicContact CD2-CD1 4.29Å; F489-I491 HydrophobicContact CG-CD1 4.23Å; F489-I491 PolarHBondContact O-N 3.09Å; I491-F495 HydrophobicContact CG2-CB 4.17Å; I491-F495 HydrophobicContact CG2-CD1 3.69Å; I491-F495 HydrophobicContact CG2-CG 4.33Å | ||
| 492 | S | 62.8 | Low | 56.3 | Low | 50 Ų | 50 | 75.8 Ų | 75.8 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | trans | -55.7 | 138.7 | 174.9 | 180 | 0 | 0 | 0 | 0 | 111.4 | E494 F495 | S492-E494 PolarHBondContact O-N 3.3Å; S492-E494 WeakPolarHBondContact OG-CB 3.16Å; S492-E494 VanDerWaalsContact OG-CG 3.31Å; S492-E494 WeakPolarHBondContact OG-CG 3.29Å; S492-E494 PolarHBondContact OG-N 3.19Å; S492-E494 VanDerWaalsContact OG-N 3.17Å; S492-E494 PolarHBondContact OG-OE2 3.35Å; S492-E494 VanDerWaalsContact OG-OE2 3.09Å; S492-F495 WeakPolarHBondContact O-CB 3.26Å; S492-F495 PolarHBondContact O-N 3.24Å | ||
| 493 | N | 63.4 | Low | 58.2 | Low | 122 Ų | 122 | 74.3 Ų | 74.3 | 65% | 0.652 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.4 | -27.6 | 170.6 | -75.7 | -31.8 | 0 | 0 | 0 | 111.7 | F495 K496 E497 | N493-F495 VanDerWaalsContact C-N 3.28Å; N493-F495 PolarHBondContact O-N 3.2Å; N493-K496 WeakPolarHBondContact O-CB 3.45Å; N493-K496 PolarHBondContact O-N 3.47Å; N493-K496 VanDerWaalsContact O-N 3.09Å; N493-E497 PolarHBondContact O-N 2.93Å |
| 494 | E | 64.5 | Low | 59.8 | Low | 117 Ų | 117 | 77.4 Ų | 77.4 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 174.8 | -55.4 | 168.5 | 143.8 | 0 | 0 | 111.7 | S492 K496 E497 L498 Q519 | S492-E494 PolarHBondContact O-N 3.3Å; S492-E494 WeakPolarHBondContact OG-CB 3.16Å; S492-E494 VanDerWaalsContact OG-CG 3.31Å; S492-E494 WeakPolarHBondContact OG-CG 3.29Å; S492-E494 PolarHBondContact OG-N 3.19Å; S492-E494 VanDerWaalsContact OG-N 3.17Å; S492-E494 PolarHBondContact OG-OE2 3.35Å; S492-E494 VanDerWaalsContact OG-OE2 3.09Å; E494-K496 VanDerWaalsContact C-N 3.32Å; E494-K496 PolarHBondContact O-N 3.32Å; E494-E497 PolarHBondContact O-N 2.92Å; E494-L498 WeakPolarHBondContact O-CB 3.2Å; E494-L498 PolarHBondContact O-N 2.73Å; E494-Q519 VanDerWaalsContact CB-NE2 3.28Å; E494-Q519 PolarHBondContact OE2-NE2 3.01Å |
| 495 | F | 73.4 | Confident | 61.3 | Low | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.009 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 176.1 | -178.9 | -104 | 0 | 0 | 0 | 111.9 | M398 L429 I491 S492 N493 L498 L499 W520 T523 | M398-F495 HydrophobicContact CE-CZ 4.01Å; L429-F495 HydrophobicContact CD1-CD1 4.3Å; L429-F495 HydrophobicContact CD1-CE1 4.04Å; I491-F495 HydrophobicContact CG2-CB 4.17Å; I491-F495 HydrophobicContact CG2-CD1 3.69Å; I491-F495 HydrophobicContact CG2-CG 4.33Å; S492-F495 WeakPolarHBondContact O-CB 3.26Å; S492-F495 PolarHBondContact O-N 3.24Å; N493-F495 VanDerWaalsContact C-N 3.28Å; N493-F495 PolarHBondContact O-N 3.2Å; F495-L498 PolarHBondContact O-N 3.14Å; F495-L499 HydrophobicContact CD1-CD1 3.9Å; F495-L499 HydrophobicContact CE1-CD1 3.53Å; F495-L499 HydrophobicContact CE1-CG 4.18Å; F495-L499 HydrophobicContact CZ-CD1 4.08Å; F495-L499 HydrophobicContact CZ-CG 4.31Å; F495-L499 WeakPolarHBondContact O-CB 3.36Å; F495-L499 WeakPolarHBondContact O-CG 3.42Å; F495-L499 PolarHBondContact O-N 3.07Å; F495-W520 HydrophobicContact CE2-CB 4.44Å; F495-W520 HydrophobicContact CE2-CD2 4.41Å; F495-W520 AromaticContact CE2-CE3 3.65Å; F495-W520 HydrophobicContact CE2-CE3 3.65Å; F495-W520 HydrophobicContact CE2-CZ3 4.31Å; F495-W520 AromaticContact CZ-CE3 3.81Å; F495-W520 HydrophobicContact CZ-CE3 3.81Å; F495-W520 HydrophobicContact CZ-CZ3 4.02Å; F495-T523 HydrophobicContact CB-CG2 4.02Å; F495-T523 HydrophobicContact CD1-CG2 4.15Å; F495-T523 HydrophobicContact CD2-CG2 3.86Å; F495-T523 WeakPolarHBondContact CD2-OG1 3.27Å; F495-T523 HydrophobicContact CE2-CG2 4.33Å; F495-T523 WeakPolarHBondContact CE2-OG1 3.31Å; F495-T523 HydrophobicContact CG-CG2 3.75Å |
| 496 | K | 70.3 | Confident | 62.4 | Low | 46 Ų | 46 | 71.2 Ų | 71.2 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 172.9 | -64.4 | -168.9 | 171 | -156.6 | 0 | 111.8 | L429 N430 N493 E494 K500 | L429-K496 PolarHBondContact O-NZ 3.44Å; N430-K496 PolarHBondContact OD1-NZ 3.32Å; N493-K496 WeakPolarHBondContact O-CB 3.45Å; N493-K496 PolarHBondContact O-N 3.47Å; N493-K496 VanDerWaalsContact O-N 3.09Å; E494-K496 VanDerWaalsContact C-N 3.32Å; E494-K496 PolarHBondContact O-N 3.32Å; K496-K500 WeakPolarHBondContact O-CG 3.42Å; K496-K500 PolarHBondContact O-N 2.92Å; K496-K500 VanDerWaalsContact O-N 3.14Å |
| 497 | E | 67.7 | Low | 63.5 | Low | 97 Ų | 97 | 69.6 Ų | 69.6 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 173.9 | -61.9 | -44.6 | 124.4 | 0 | 0 | 112.1 | N493 E494 L499 K500 V501 | N493-E497 PolarHBondContact O-N 2.93Å; E494-E497 PolarHBondContact O-N 2.92Å; E497-L499 PolarHBondContact O-N 2.95Å; E497-K500 VanDerWaalsContact CD-NZ 3.35Å; E497-K500 WeakPolarHBondContact O-CB 3.36Å; E497-K500 PolarHBondContact O-N 3.01Å; E497-K500 VanDerWaalsContact O-N 3.16Å; E497-K500 IonicContact OE1-NZ 3.84Å; E497-K500 PolarHBondContact OE1-NZ 3.27Å; E497-K500 VanDerWaalsContact OE2-CD 3.29Å; E497-K500 WeakPolarHBondContact OE2-CD 3.3Å; E497-K500 IonicContact OE2-NZ 3.63Å; E497-K500 PolarHBondContact OE2-NZ 2.75Å; E497-V501 WeakPolarHBondContact O-CG2 3.49Å; E497-V501 PolarHBondContact O-N 2.9Å |
| 498 | L | 71.3 | Confident | 64.3 | Low | 36 Ų | 36 | 64.8 Ų | 64.8 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 177.1 | -159.2 | 160 | 0 | 0 | 0 | 111.6 | E494 F495 V501 S502 L514 T517 Q519 | E494-L498 WeakPolarHBondContact O-CB 3.2Å; E494-L498 PolarHBondContact O-N 2.73Å; F495-L498 PolarHBondContact O-N 3.14Å; L498-V501 PolarHBondContact O-N 3.22Å; L498-S502 PolarHBondContact O-N 3.07Å; L498-S502 PolarHBondContact O-OG 3.08Å; L498-S502 VanDerWaalsContact O-OG 3.07Å; L498-L514 HydrophobicContact CD2-CD1 3.3Å; L498-T517 HydrophobicContact CD1-CG2 3.83Å; L498-Q519 VanDerWaalsContact CD1-OE1 3.22Å |
| 499 | L | 71.2 | Confident | 65.2 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 169.2 | -84.3 | 169.9 | 0 | 0 | 0 | 112 | L422 I425 L426 L429 F495 E497 V501 S502 L503 | L422-L499 HydrophobicContact CB-CD2 4.33Å; L422-L499 HydrophobicContact CD2-CD2 3.77Å; I425-L499 HydrophobicContact CG2-CD1 4Å; L426-L499 HydrophobicContact CD1-CB 4.36Å; L429-L499 HydrophobicContact CD1-CD1 3.9Å; F495-L499 HydrophobicContact CD1-CD1 3.9Å; F495-L499 HydrophobicContact CE1-CD1 3.53Å; F495-L499 HydrophobicContact CE1-CG 4.18Å; F495-L499 HydrophobicContact CZ-CD1 4.08Å; F495-L499 HydrophobicContact CZ-CG 4.31Å; F495-L499 WeakPolarHBondContact O-CB 3.36Å; F495-L499 WeakPolarHBondContact O-CG 3.42Å; F495-L499 PolarHBondContact O-N 3.07Å; E497-L499 PolarHBondContact O-N 2.95Å; L499-V501 PolarHBondContact O-N 3.32Å; L499-S502 PolarHBondContact O-N 3.03Å; L499-L503 WeakPolarHBondContact O-CB 3.42Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.24Å; L499-L503 PolarHBondContact O-N 3.21Å |
| 500 | K | 72.1 | Confident | 65.8 | Low | 92 Ų | 92 | 69.9 Ų | 69.9 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.4 | -68.7 | 165.8 | -178.3 | 174.7 | 0 | 112.4 | L426 K496 E497 L503 K504 | L426-K500 HydrophobicContact CD2-CG 4.03Å; K496-K500 WeakPolarHBondContact O-CG 3.42Å; K496-K500 PolarHBondContact O-N 2.92Å; K496-K500 VanDerWaalsContact O-N 3.14Å; E497-K500 VanDerWaalsContact CD-NZ 3.35Å; E497-K500 WeakPolarHBondContact O-CB 3.36Å; E497-K500 PolarHBondContact O-N 3.01Å; E497-K500 VanDerWaalsContact O-N 3.16Å; E497-K500 IonicContact OE1-NZ 3.84Å; E497-K500 PolarHBondContact OE1-NZ 3.27Å; E497-K500 VanDerWaalsContact OE2-CD 3.29Å; E497-K500 WeakPolarHBondContact OE2-CD 3.3Å; E497-K500 IonicContact OE2-NZ 3.63Å; E497-K500 PolarHBondContact OE2-NZ 2.75Å; K500-L503 PolarHBondContact O-N 3.38Å; K500-K504 WeakPolarHBondContact O-CB 3.21Å; K500-K504 PolarHBondContact O-N 2.86Å |
| 501 | V | 70.2 | Confident | 66.6 | Low | 88 Ų | 88 | 62.7 Ų | 62.7 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 178.4 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | E497 L498 L499 L503 K504 Y505 | E497-V501 WeakPolarHBondContact O-CG2 3.49Å; E497-V501 PolarHBondContact O-N 2.9Å; L498-V501 PolarHBondContact O-N 3.22Å; L499-V501 PolarHBondContact O-N 3.32Å; V501-L503 VanDerWaalsContact C-N 3.32Å; V501-L503 PolarHBondContact O-N 3.11Å; V501-K504 PolarHBondContact O-N 3.28Å; V501-K504 VanDerWaalsContact O-N 3.15Å; V501-Y505 PolarHBondContact O-N 3.19Å; V501-Y505 VanDerWaalsContact O-N 3.16Å |
| 502 | S | 66.5 | Low | 67 | Low | 11 Ų | 11 | 64.3 Ų | 64.3 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.2 | -31.6 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | L498 L499 Y505 | L498-S502 PolarHBondContact O-N 3.07Å; L498-S502 PolarHBondContact O-OG 3.08Å; L498-S502 VanDerWaalsContact O-OG 3.07Å; L499-S502 PolarHBondContact O-N 3.03Å; S502-Y505 CarbonylContact O-C 3.55Å |
| 503 | L | 68.7 | Low | 67.4 | Low | 45 Ų | 45 | 67.7 Ų | 67.7 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.4 | -27.6 | 172.8 | -75.6 | 166.2 | 0 | 0 | 0 | 112.8 | S419 L422 Q423 L426 L499 K500 V501 | S419-L503 WeakPolarHBondContact O-CD2 3.32Å; L422-L503 HydrophobicContact CB-CD2 3.93Å; L422-L503 HydrophobicContact CB-CG 4.35Å; Q423-L503 HydrophobicContact CB-CD1 4.41Å; Q423-L503 HydrophobicContact CB-CD2 4.04Å; L426-L503 HydrophobicContact CB-CD1 4.31Å; L426-L503 HydrophobicContact CD2-CD1 3.59Å; L499-L503 WeakPolarHBondContact O-CB 3.42Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.24Å; L499-L503 PolarHBondContact O-N 3.21Å; K500-L503 PolarHBondContact O-N 3.38Å; V501-L503 VanDerWaalsContact C-N 3.32Å; V501-L503 PolarHBondContact O-N 3.11Å |
| 504 | K | 63.8 | Low | 67.7 | Low | 152 Ų | 152 | 62 Ų | 62 | 66% | 0.661 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -77.5 | -27.9 | 176.7 | -172 | 175.9 | 178.7 | -177 | 0 | 113.2 | K500 V501 | K500-K504 WeakPolarHBondContact O-CB 3.21Å; K500-K504 PolarHBondContact O-N 2.86Å; V501-K504 PolarHBondContact O-N 3.28Å; V501-K504 VanDerWaalsContact O-N 3.15Å |
| 505 | Y | 62.4 | Low | 68 | Low | 140 Ų | 140 | 57 Ų | 57 | 55% | 0.549 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -130.6 | 84.5 | 178.9 | -58.7 | -78 | 0 | 0 | 0 | 109.2 | V501 S502 S507 T510 | V501-Y505 PolarHBondContact O-N 3.19Å; V501-Y505 VanDerWaalsContact O-N 3.16Å; S502-Y505 CarbonylContact O-C 3.55Å; Y505-S507 PolarHBondContact O-N 3.49Å; Y505-T510 VanDerWaalsContact O-CB 3.3Å; Y505-T510 WeakPolarHBondContact O-CB 3.19Å; Y505-T510 PolarHBondContact O-OG1 3.18Å |
| 506 | C | 61.4 | Low | 68.1 | Low | 53 Ų | 53 | 61.4 Ų | 61.4 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | trans | -95.1 | 74.6 | -174.9 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 507 | S | 63.9 | Low | 68.4 | Low | 38 Ų | 38 | 61.4 Ų | 61.4 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | trans | -103.1 | 161.5 | 171.4 | 90.7 | 0 | 0 | 0 | 0 | 112.1 | Y505 E509 T510 I511 | Y505-S507 PolarHBondContact O-N 3.49Å; S507-E509 VanDerWaalsContact CB-OE2 3.24Å; S507-E509 WeakPolarHBondContact CB-OE2 3.22Å; S507-E509 PolarHBondContact O-N 2.99Å; S507-E509 PolarHBondContact OG-N 3.18Å; S507-E509 PolarHBondContact OG-OE2 3.19Å; S507-T510 WeakPolarHBondContact CA-OG1 3.18Å; S507-T510 WeakPolarHBondContact CB-OG1 3.29Å; S507-T510 PolarHBondContact N-OG1 3.18Å; S507-T510 PolarHBondContact O-N 3.48Å; S507-T510 PolarHBondContact O-OG1 3.04Å; S507-T510 VanDerWaalsContact O-OG1 3.07Å; S507-T510 PolarHBondContact OG-N 3.23Å; S507-T510 PolarHBondContact OG-OG1 3.02Å; S507-I511 PolarHBondContact O-N 3.22Å; S507-I511 VanDerWaalsContact O-N 3.08Å | ||
| 508 | P | 62 | Low | 68.7 | Low | 50 Ų | 50 | 60 Ų | 60 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.3 | -35.9 | 173.1 | -24.5 | 34.2 | 0 | 0 | 0 | 113 | L410 N512 | L410-P508 HydrophobicContact CB-CB 4.18Å; P508-N512 WeakPolarHBondContact O-CB 3.24Å; P508-N512 PolarHBondContact O-N 2.67Å; P508-N512 PolarHBondContact O-ND2 2.9Å |
| 509 | E | 67.2 | Low | 68.9 | Low | 116 Ų | 116 | 60.2 Ų | 60.2 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69 | -43.5 | 176.5 | -55.1 | 77.3 | -168.7 | 0 | 0 | 111.7 | S507 N512 Q513 | S507-E509 VanDerWaalsContact CB-OE2 3.24Å; S507-E509 WeakPolarHBondContact CB-OE2 3.22Å; S507-E509 PolarHBondContact O-N 2.99Å; S507-E509 PolarHBondContact OG-N 3.18Å; S507-E509 PolarHBondContact OG-OE2 3.19Å; E509-N512 PolarHBondContact O-N 2.95Å; E509-Q513 WeakPolarHBondContact O-CB 3.41Å; E509-Q513 VanDerWaalsContact O-CG 3.23Å; E509-Q513 WeakPolarHBondContact O-CG 3.24Å; E509-Q513 PolarHBondContact O-N 3.48Å |
| 510 | T | 67.3 | Low | 69.4 | Low | 33 Ų | 33 | 60.3 Ų | 60.3 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.3 | -36.3 | -176.9 | 22.5 | 0 | 0 | 0 | 0 | 112.3 | Y505 S507 Q513 L514 | Y505-T510 VanDerWaalsContact O-CB 3.3Å; Y505-T510 WeakPolarHBondContact O-CB 3.19Å; Y505-T510 PolarHBondContact O-OG1 3.18Å; S507-T510 WeakPolarHBondContact CA-OG1 3.18Å; S507-T510 WeakPolarHBondContact CB-OG1 3.29Å; S507-T510 PolarHBondContact N-OG1 3.18Å; S507-T510 PolarHBondContact O-N 3.48Å; S507-T510 PolarHBondContact O-OG1 3.04Å; S507-T510 VanDerWaalsContact O-OG1 3.07Å; S507-T510 PolarHBondContact OG-N 3.23Å; S507-T510 PolarHBondContact OG-OG1 3.02Å; T510-Q513 PolarHBondContact O-N 3.2Å; T510-L514 VanDerWaalsContact O-CB 3.31Å; T510-L514 WeakPolarHBondContact O-CB 3.38Å; T510-L514 PolarHBondContact O-N 3.44Å |
| 511 | I | 68.3 | Low | 69.8 | Low | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | 171.6 | -64.7 | 168 | 0 | 0 | 0 | 111.1 | V405 L410 C415 I418 S507 Q513 L514 V515 | V405-I511 HydrophobicContact CG2-CG2 3.97Å; L410-I511 HydrophobicContact CD2-CB 3.84Å; L410-I511 HydrophobicContact CD2-CD1 3.88Å; L410-I511 HydrophobicContact CD2-CG1 4.47Å; L410-I511 HydrophobicContact CD2-CG2 3.76Å; C415-I511 HydrophobicContact CB-CD1 4.04Å; I418-I511 HydrophobicContact CB-CD1 4.2Å; I418-I511 HydrophobicContact CD1-CG2 4.3Å; I418-I511 HydrophobicContact CG2-CD1 4.03Å; I418-I511 HydrophobicContact CG2-CG1 4.4Å; I418-I511 HydrophobicContact CG2-CG2 3.92Å; S507-I511 PolarHBondContact O-N 3.22Å; S507-I511 VanDerWaalsContact O-N 3.08Å; I511-Q513 VanDerWaalsContact C-N 3.33Å; I511-Q513 PolarHBondContact O-N 3.28Å; I511-L514 PolarHBondContact O-N 2.95Å; I511-V515 PolarHBondContact O-N 2.96Å; I511-V515 VanDerWaalsContact O-N 3.16Å |
| 512 | N | 69.1 | Low | 70.1 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 175.2 | -84 | -61.4 | 0 | 0 | 0 | 112.6 | V405 P508 E509 N516 | V405-N512 WeakPolarHBondContact CG1-OD1 3.39Å; P508-N512 WeakPolarHBondContact O-CB 3.24Å; P508-N512 PolarHBondContact O-N 2.67Å; P508-N512 PolarHBondContact O-ND2 2.9Å; E509-N512 PolarHBondContact O-N 2.95Å; N512-N516 WeakPolarHBondContact O-CB 3.22Å; N512-N516 PolarHBondContact O-N 2.92Å; N512-N516 PolarHBondContact O-ND2 3.3Å |
| 513 | Q | 69.9 | Low | 70.5 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -71.6 | -44.5 | 174.4 | -73 | 166.4 | 8.2 | 0 | 0 | 111.7 | E509 T510 I511 V515 N516 T517 | E509-Q513 WeakPolarHBondContact O-CB 3.41Å; E509-Q513 VanDerWaalsContact O-CG 3.23Å; E509-Q513 WeakPolarHBondContact O-CG 3.24Å; E509-Q513 PolarHBondContact O-N 3.48Å; T510-Q513 PolarHBondContact O-N 3.2Å; I511-Q513 VanDerWaalsContact C-N 3.33Å; I511-Q513 PolarHBondContact O-N 3.28Å; Q513-V515 PolarHBondContact O-N 3.45Å; Q513-N516 CarbonylContact O-C 3.59Å; Q513-N516 PolarHBondContact O-N 2.87Å; Q513-N516 VanDerWaalsContact O-N 3.17Å; Q513-T517 PolarHBondContact O-N 2.85Å; Q513-T517 PolarHBondContact O-OG1 3.43Å |
| 514 | L | 71.5 | Confident | 71.1 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -50.7 | -58.9 | 174.6 | 164.5 | 64.6 | 0 | 0 | 0 | 111.5 | L422 L498 T510 I511 N516 T517 W520 | L422-L514 HydrophobicContact CD1-CD2 3.5Å; L422-L514 VanDerWaalsContact CD1-CD2 3.5Å; L422-L514 HydrophobicContact CD2-CD2 3.68Å; L422-L514 HydrophobicContact CG-CD2 4.26Å; L498-L514 HydrophobicContact CD2-CD1 3.3Å; T510-L514 VanDerWaalsContact O-CB 3.31Å; T510-L514 WeakPolarHBondContact O-CB 3.38Å; T510-L514 PolarHBondContact O-N 3.44Å; I511-L514 PolarHBondContact O-N 2.95Å; L514-N516 PolarHBondContact O-N 3.35Å; L514-T517 WeakPolarHBondContact O-CB 3.2Å; L514-T517 PolarHBondContact O-N 3.23Å; L514-T517 VanDerWaalsContact O-N 3.08Å; L514-W520 HydrophobicContact CD1-CE3 3.85Å; L514-W520 HydrophobicContact CD1-CZ3 4.47Å; L514-W520 HydrophobicContact CG-CE3 4.18Å; L514-W520 VanDerWaalsContact O-CB 3.29Å; L514-W520 WeakPolarHBondContact O-CB 3.38Å |
| 515 | V | 70.9 | Confident | 71.8 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -24 | -177.3 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | I401 V405 I511 Q513 W520 K521 | I401-V515 HydrophobicContact CG2-CG2 3.64Å; V405-V515 HydrophobicContact CB-CG1 4.35Å; V405-V515 HydrophobicContact CG1-CB 4.23Å; V405-V515 HydrophobicContact CG1-CG1 4.07Å; V405-V515 HydrophobicContact CG2-CG2 4.02Å; I511-V515 PolarHBondContact O-N 2.96Å; I511-V515 VanDerWaalsContact O-N 3.16Å; Q513-V515 PolarHBondContact O-N 3.45Å; V515-W520 HydrophobicContact CG2-CZ2 4.4Å; V515-K521 WeakPolarHBondContact O-CE 3.27Å |
| 516 | N | 74.1 | Confident | 72.5 | Confident | 95 Ų | 95 | 54.7 Ų | 54.7 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -84.9 | -15.2 | 174.8 | -84.2 | -64.3 | 0 | 0 | 0 | 115.4 | N512 Q513 L514 K521 | N512-N516 WeakPolarHBondContact O-CB 3.22Å; N512-N516 PolarHBondContact O-N 2.92Å; N512-N516 PolarHBondContact O-ND2 3.3Å; Q513-N516 CarbonylContact O-C 3.59Å; Q513-N516 PolarHBondContact O-N 2.87Å; Q513-N516 VanDerWaalsContact O-N 3.17Å; L514-N516 PolarHBondContact O-N 3.35Å; N516-K521 WeakPolarHBondContact O-CE 3.34Å; N516-K521 PolarHBondContact O-NZ 2.87Å; N516-K521 PolarHBondContact OD1-NZ 2.94Å; N516-K521 VanDerWaalsContact OD1-NZ 3.13Å |
| 517 | T | 77.5 | Confident | 73.1 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -66.8 | 145.5 | -178.1 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | L498 Q513 L514 Q519 W520 K521 | L498-T517 HydrophobicContact CD1-CG2 3.83Å; Q513-T517 PolarHBondContact O-N 2.85Å; Q513-T517 PolarHBondContact O-OG1 3.43Å; L514-T517 WeakPolarHBondContact O-CB 3.2Å; L514-T517 PolarHBondContact O-N 3.23Å; L514-T517 VanDerWaalsContact O-N 3.08Å; T517-Q519 HydrophobicContact CG2-CB 4.37Å; T517-Q519 PolarHBondContact O-N 3.16Å; T517-W520 PolarHBondContact O-N 2.96Å; T517-K521 PolarHBondContact O-N 2.82Å |
| 518 | S | 73.9 | Confident | 73.7 | Confident | 68 Ų | 68 | 51 Ų | 51 | 48% | 0.476 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.7 | -46.9 | -178.5 | 67.8 | 0 | 0 | 0 | 0 | 111.9 | W520 K521 E522 | S518-W520 VanDerWaalsContact C-N 3.28Å; S518-W520 PolarHBondContact O-N 3.05Å; S518-K521 CarbonylContact O-C 3.31Å; S518-K521 PolarHBondContact O-N 2.86Å; S518-E522 WeakPolarHBondContact CB-OE1 3.36Å; S518-E522 WeakPolarHBondContact O-CB 3.39Å; S518-E522 VanDerWaalsContact O-CG 3.31Å; S518-E522 WeakPolarHBondContact O-CG 3.45Å; S518-E522 PolarHBondContact O-N 3.35Å; S518-E522 PolarHBondContact OG-OE1 3.24Å |
| 519 | Q | 74.6 | Confident | 74.3 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.3 | -33.8 | 177.5 | -70 | 176.5 | -12.1 | 0 | 0 | 114 | E494 L498 T517 T523 | E494-Q519 VanDerWaalsContact CB-NE2 3.28Å; E494-Q519 PolarHBondContact OE2-NE2 3.01Å; L498-Q519 VanDerWaalsContact CD1-OE1 3.22Å; T517-Q519 HydrophobicContact CG2-CB 4.37Å; T517-Q519 PolarHBondContact O-N 3.16Å; Q519-T523 WeakPolarHBondContact O-CB 3.24Å; Q519-T523 VanDerWaalsContact O-CG2 3.32Å; Q519-T523 WeakPolarHBondContact O-CG2 3.45Å; Q519-T523 PolarHBondContact O-N 3.15Å; Q519-T523 PolarHBondContact O-OG1 3.44Å |
| 520 | W | 81.8 | Confident | 74.3 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 174.8 | 176.9 | -88 | 0 | 0 | 0 | 111.5 | M398 I401 N402 L422 I425 F495 L514 V515 T517 S518 T523 Y524 | M398-W520 HydrophobicContact CB-CH2 4.38Å; M398-W520 HydrophobicContact CB-CZ2 4.13Å; M398-W520 HydrophobicContact CE-CD2 4.23Å; M398-W520 HydrophobicContact CE-CE3 4.3Å; M398-W520 HydrophobicContact CE-CH2 4.22Å; M398-W520 HydrophobicContact CE-CZ2 4.17Å; M398-W520 HydrophobicContact CE-CZ3 4.29Å; M398-W520 HydrophobicContact CG-CH2 4.04Å; M398-W520 HydrophobicContact CG-CZ2 4.23Å; I401-W520 HydrophobicContact CB-CH2 4.24Å; I401-W520 HydrophobicContact CB-CZ2 4.06Å; I401-W520 HydrophobicContact CD1-CH2 3.88Å; I401-W520 HydrophobicContact CG2-CH2 3.95Å; I401-W520 HydrophobicContact CG2-CZ2 3.73Å; N402-W520 PolarHBondContact OD1-NE1 3.39Å; L422-W520 HydrophobicContact CD2-CH2 4.11Å; L422-W520 HydrophobicContact CD2-CZ3 3.86Å; I425-W520 HydrophobicContact CD1-CH2 4.2Å; F495-W520 HydrophobicContact CE2-CB 4.44Å; F495-W520 HydrophobicContact CE2-CD2 4.41Å; F495-W520 AromaticContact CE2-CE3 3.65Å; F495-W520 HydrophobicContact CE2-CE3 3.65Å; F495-W520 HydrophobicContact CE2-CZ3 4.31Å; F495-W520 AromaticContact CZ-CE3 3.81Å; F495-W520 HydrophobicContact CZ-CE3 3.81Å; F495-W520 HydrophobicContact CZ-CZ3 4.02Å; L514-W520 HydrophobicContact CD1-CE3 3.85Å; L514-W520 HydrophobicContact CD1-CZ3 4.47Å; L514-W520 HydrophobicContact CG-CE3 4.18Å; L514-W520 VanDerWaalsContact O-CB 3.29Å; L514-W520 WeakPolarHBondContact O-CB 3.38Å; V515-W520 HydrophobicContact CG2-CZ2 4.4Å; T517-W520 PolarHBondContact O-N 2.96Å; S518-W520 VanDerWaalsContact C-N 3.28Å; S518-W520 PolarHBondContact O-N 3.05Å; W520-T523 PolarHBondContact O-OG1 3.2Å; W520-Y524 VanDerWaalsContact O-CB 3.22Å; W520-Y524 WeakPolarHBondContact O-CB 3.34Å; W520-Y524 PolarHBondContact O-N 2.87Å |
| 521 | K | 79.7 | Confident | 74.6 | Confident | 92 Ų | 92 | 49 Ų | 49 | 40% | 0.4 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 178 | -68.7 | 165.2 | 178.9 | 164.3 | 0 | 111.6 | V515 N516 T517 S518 Q525 | V515-K521 WeakPolarHBondContact O-CE 3.27Å; N516-K521 WeakPolarHBondContact O-CE 3.34Å; N516-K521 PolarHBondContact O-NZ 2.87Å; N516-K521 PolarHBondContact OD1-NZ 2.94Å; N516-K521 VanDerWaalsContact OD1-NZ 3.13Å; T517-K521 PolarHBondContact O-N 2.82Å; S518-K521 CarbonylContact O-C 3.31Å; S518-K521 PolarHBondContact O-N 2.86Å; K521-Q525 WeakPolarHBondContact O-CB 3.38Å; K521-Q525 VanDerWaalsContact O-CG 3.25Å; K521-Q525 WeakPolarHBondContact O-CG 3.17Å; K521-Q525 PolarHBondContact O-N 3.13Å |
| 522 | E | 76.6 | Confident | 74.8 | Confident | 108 Ų | 108 | 52 Ų | 52 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 175.8 | -71.1 | 159.7 | -151.1 | 0 | 0 | 112.1 | S518 Q525 S526 | S518-E522 WeakPolarHBondContact CB-OE1 3.36Å; S518-E522 WeakPolarHBondContact O-CB 3.39Å; S518-E522 VanDerWaalsContact O-CG 3.31Å; S518-E522 WeakPolarHBondContact O-CG 3.45Å; S518-E522 PolarHBondContact O-N 3.35Å; S518-E522 PolarHBondContact OG-OE1 3.24Å; E522-Q525 PolarHBondContact O-N 2.88Å; E522-S526 VanDerWaalsContact O-CB 3.27Å; E522-S526 WeakPolarHBondContact O-CB 3.42Å; E522-S526 PolarHBondContact O-N 3.35Å |
| 523 | T | 75.5 | Confident | 74.8 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 176.4 | 50 | 0 | 0 | 0 | 0 | 112.2 | F495 Q519 W520 S526 V527 | F495-T523 HydrophobicContact CB-CG2 4.02Å; F495-T523 HydrophobicContact CD1-CG2 4.15Å; F495-T523 HydrophobicContact CD2-CG2 3.86Å; F495-T523 WeakPolarHBondContact CD2-OG1 3.27Å; F495-T523 HydrophobicContact CE2-CG2 4.33Å; F495-T523 WeakPolarHBondContact CE2-OG1 3.31Å; F495-T523 HydrophobicContact CG-CG2 3.75Å; Q519-T523 WeakPolarHBondContact O-CB 3.24Å; Q519-T523 VanDerWaalsContact O-CG2 3.32Å; Q519-T523 WeakPolarHBondContact O-CG2 3.45Å; Q519-T523 PolarHBondContact O-N 3.15Å; Q519-T523 PolarHBondContact O-OG1 3.44Å; W520-T523 PolarHBondContact O-OG1 3.2Å; T523-S526 PolarHBondContact O-N 2.81Å; T523-V527 WeakPolarHBondContact O-CB 3.46Å; T523-V527 VanDerWaalsContact O-CG2 3.25Å; T523-V527 WeakPolarHBondContact O-CG2 3.32Å; T523-V527 PolarHBondContact O-N 2.73Å |
| 524 | Y | 81.7 | Confident | 74.7 | Confident | 22 Ų | 22 | 55 Ų | 55 | 9% | 0.086 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 172.6 | 177 | -108 | 0 | 0 | 0 | 111.6 | E367 M398 W520 S526 V527 C528 | E367-Y524 VanDerWaalsContact OE1-CE1 3.23Å; E367-Y524 WeakPolarHBondContact OE1-CE1 3.32Å; E367-Y524 PolarHBondContact OE1-OH 3.49Å; M398-Y524 HydrophobicContact CB-CD2 3.9Å; M398-Y524 HydrophobicContact CB-CE2 4.42Å; W520-Y524 VanDerWaalsContact O-CB 3.22Å; W520-Y524 WeakPolarHBondContact O-CB 3.34Å; W520-Y524 PolarHBondContact O-N 2.87Å; Y524-S526 VanDerWaalsContact C-N 3.32Å; Y524-S526 PolarHBondContact O-N 3.13Å; Y524-V527 PolarHBondContact O-N 3.48Å; Y524-C528 PolarHBondContact O-N 3.1Å; Y524-C528 PolarHBondContact O-SG 3.29Å; Y524-C528 VanDerWaalsContact O-SG 3.39Å |
| 525 | Q | 78.8 | Confident | 74.7 | Confident | 132 Ų | 132 | 55.5 Ų | 55.5 | 62% | 0.617 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | 175.7 | -74.5 | 174.4 | -3.6 | 0 | 0 | 112.4 | K521 E522 K529 | K521-Q525 WeakPolarHBondContact O-CB 3.38Å; K521-Q525 VanDerWaalsContact O-CG 3.25Å; K521-Q525 WeakPolarHBondContact O-CG 3.17Å; K521-Q525 PolarHBondContact O-N 3.13Å; E522-Q525 PolarHBondContact O-N 2.88Å; Q525-K529 WeakPolarHBondContact O-CB 3.29Å; Q525-K529 PolarHBondContact O-N 3.46Å |
| 526 | S | 76.1 | Confident | 74.8 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 175.9 | -166.1 | 0 | 0 | 0 | 0 | 112 | E522 T523 Y524 T530 | E522-S526 VanDerWaalsContact O-CB 3.27Å; E522-S526 WeakPolarHBondContact O-CB 3.42Å; E522-S526 PolarHBondContact O-N 3.35Å; T523-S526 PolarHBondContact O-N 2.81Å; Y524-S526 VanDerWaalsContact C-N 3.32Å; Y524-S526 PolarHBondContact O-N 3.13Å; S526-T530 WeakPolarHBondContact O-CB 3.22Å; S526-T530 PolarHBondContact O-N 3.44Å; S526-T530 PolarHBondContact O-OG1 2.84Å |
| 527 | V | 75.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -48.3 | 175.8 | 164.8 | 0 | 0 | 0 | 0 | 111 | L395 M398 F489 T523 Y524 T530 V531 | L395-V527 HydrophobicContact CB-CG1 4.09Å; L395-V527 HydrophobicContact CD1-CG1 4.05Å; M398-V527 HydrophobicContact SD-CG2 4.26Å; F489-V527 HydrophobicContact CD1-CB 4.22Å; F489-V527 HydrophobicContact CD1-CG1 4.43Å; F489-V527 HydrophobicContact CD1-CG2 3.77Å; F489-V527 HydrophobicContact CE1-CB 4Å; F489-V527 HydrophobicContact CE1-CG1 3.76Å; F489-V527 HydrophobicContact CE1-CG2 3.93Å; F489-V527 HydrophobicContact CG-CG2 4.07Å; F489-V527 HydrophobicContact CZ-CG1 3.9Å; F489-V527 HydrophobicContact CZ-CG2 4.34Å; T523-V527 WeakPolarHBondContact O-CB 3.46Å; T523-V527 VanDerWaalsContact O-CG2 3.25Å; T523-V527 WeakPolarHBondContact O-CG2 3.32Å; T523-V527 PolarHBondContact O-N 2.73Å; Y524-V527 PolarHBondContact O-N 3.48Å; V527-T530 PolarHBondContact O-N 3.34Å; V527-V531 WeakPolarHBondContact O-CG2 3.2Å; V527-V531 PolarHBondContact O-N 2.74Å; V527-V531 VanDerWaalsContact O-N 3.11Å |
| 528 | C | 76.6 | Confident | 74.1 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -57.8 | 173.8 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | I366 L395 Y524 T530 V531 E532 | I366-C528 WeakPolarHBondContact CD1-O 3.15Å; L395-C528 VanDerWaalsContact CD1-SG 3.56Å; Y524-C528 PolarHBondContact O-N 3.1Å; Y524-C528 PolarHBondContact O-SG 3.29Å; Y524-C528 VanDerWaalsContact O-SG 3.39Å; C528-T530 PolarHBondContact O-N 3.18Å; C528-T530 VanDerWaalsContact O-N 3.16Å; C528-V531 PolarHBondContact O-N 3.04Å; C528-E532 PolarHBondContact O-N 2.83Å |
| 529 | K | 73 | Confident | 74.1 | Confident | 133 Ų | 133 | 51.4 Ų | 51.4 | 58% | 0.578 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -57.3 | -35.3 | -178.3 | -173.8 | 174.3 | -178.9 | 178.9 | 0 | 113.1 | Q525 L533 | Q525-K529 WeakPolarHBondContact O-CB 3.29Å; Q525-K529 PolarHBondContact O-N 3.46Å; K529-L533 HydrophobicContact CG-CD1 3.95Å; K529-L533 HydrophobicContact CG-CG 4.44Å; K529-L533 WeakPolarHBondContact O-CB 3.42Å; K529-L533 VanDerWaalsContact O-CG 3.29Å; K529-L533 WeakPolarHBondContact O-CG 3.38Å; K529-L533 PolarHBondContact O-N 3.27Å |
| 530 | T | 69.2 | Low | 73.9 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 174.8 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | I488 F489 S526 V527 C528 R534 | I488-T530 HydrophobicContact CG2-CG2 3.73Å; I488-T530 VanDerWaalsContact O-CG2 3.28Å; I488-T530 WeakPolarHBondContact O-CG2 3.18Å; F489-T530 HydrophobicContact CD1-CG2 3.74Å; F489-T530 HydrophobicContact CE1-CG2 3.97Å; S526-T530 WeakPolarHBondContact O-CB 3.22Å; S526-T530 PolarHBondContact O-N 3.44Å; S526-T530 PolarHBondContact O-OG1 2.84Å; V527-T530 PolarHBondContact O-N 3.34Å; C528-T530 PolarHBondContact O-N 3.18Å; C528-T530 VanDerWaalsContact O-N 3.16Å; T530-R534 WeakPolarHBondContact O-CB 3.42Å; T530-R534 PolarHBondContact O-N 3.44Å; T530-R534 VanDerWaalsContact O-N 3.07Å |
| 531 | V | 72.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.3 | -36.3 | 178.3 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | I366 F379 P391 L395 F489 V527 C528 F535 I536 | I366-V531 HydrophobicContact CD1-CB 3.61Å; I366-V531 HydrophobicContact CD1-CG1 3.65Å; F379-V531 HydrophobicContact CZ-CG1 3.88Å; P391-V531 HydrophobicContact CB-CG2 4.47Å; L395-V531 HydrophobicContact CD2-CG1 4.28Å; L395-V531 HydrophobicContact CD2-CG2 4.45Å; F489-V531 HydrophobicContact CE1-CG2 4.06Å; F489-V531 HydrophobicContact CZ-CG2 4.28Å; V527-V531 WeakPolarHBondContact O-CG2 3.2Å; V527-V531 PolarHBondContact O-N 2.74Å; V527-V531 VanDerWaalsContact O-N 3.11Å; C528-V531 PolarHBondContact O-N 3.04Å; V531-F535 HydrophobicContact CB-CD2 4.35Å; V531-F535 HydrophobicContact CG1-CB 4.28Å; V531-F535 HydrophobicContact CG1-CD2 4.1Å; V531-F535 HydrophobicContact CG2-CD2 4.28Å; V531-F535 WeakPolarHBondContact O-CB 3.34Å; V531-F535 PolarHBondContact O-N 3.4Å; V531-I536 PolarHBondContact O-N 2.9Å |
| 532 | E | 73.5 | Confident | 72.5 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -52.8 | 173.9 | -106.3 | 148.3 | -148.5 | 0 | 0 | 111.5 | I366 C528 I536 P537 | I366-E532 WeakPolarHBondContact CB-OE1 3.33Å; I366-E532 HydrophobicContact CD1-CB 4.05Å; I366-E532 HydrophobicContact CD1-CG 3.66Å; I366-E532 HydrophobicContact CG1-CG 3.9Å; I366-E532 PolarHBondContact N-OE1 3.14Å; C528-E532 PolarHBondContact O-N 2.83Å; E532-I536 HydrophobicContact CG-CD1 3.9Å; E532-I536 WeakPolarHBondContact O-CB 3.33Å; E532-P537 VanDerWaalsContact O-CD 3.29Å; E532-P537 WeakPolarHBondContact O-CD 3.29Å |
| 533 | L | 68.7 | Low | 71.8 | Confident | 107 Ų | 107 | 51.9 Ų | 51.9 | 56% | 0.56 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -70.5 | -33.3 | -178.2 | -68.6 | 170.5 | 0 | 0 | 0 | 113.1 | K529 | K529-L533 HydrophobicContact CG-CD1 3.95Å; K529-L533 HydrophobicContact CG-CG 4.44Å; K529-L533 WeakPolarHBondContact O-CB 3.42Å; K529-L533 VanDerWaalsContact O-CG 3.29Å; K529-L533 WeakPolarHBondContact O-CG 3.38Å; K529-L533 PolarHBondContact O-N 3.27Å |
| 534 | R | 67 | Low | 71.4 | Confident | 139 Ų | 139 | 53 Ų | 53 | 53% | 0.525 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -99.2 | -32.2 | -168.1 | -162.9 | 172.8 | -169.9 | 139.4 | 3.4 | 114.9 | T530 | T530-R534 WeakPolarHBondContact O-CB 3.42Å; T530-R534 PolarHBondContact O-N 3.44Å; T530-R534 VanDerWaalsContact O-N 3.07Å |
| 535 | F | 72.5 | Confident | 70.9 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -114.4 | -28 | -173.1 | -65.4 | -73.2 | 0 | 0 | 0 | 114.1 | F379 Y382 M383 V386 S388 P391 V531 Y539 | F379-F535 HydrophobicContact CE2-CB 4.3Å; F379-F535 HydrophobicContact CZ-CB 4.43Å; Y382-F535 HydrophobicContact CE1-CB 4.31Å; Y382-F535 HydrophobicContact CE1-CD1 4.45Å; Y382-F535 WeakPolarHBondContact CE1-O 3.38Å; M383-F535 HydrophobicContact CE-CB 4.41Å; M383-F535 HydrophobicContact CE-CD1 3.97Å; M383-F535 HydrophobicContact CE-CD2 3.8Å; M383-F535 HydrophobicContact CE-CE1 4.14Å; M383-F535 HydrophobicContact CE-CE2 3.99Å; M383-F535 HydrophobicContact CE-CG 3.8Å; M383-F535 HydrophobicContact CE-CZ 4.16Å; M383-F535 HydrophobicContact SD-CB 3.85Å; M383-F535 HydrophobicContact SD-CD1 3.48Å; M383-F535 WeakPolarHBondContact SD-CD1 3.13Å; M383-F535 HydrophobicContact SD-CD2 4.23Å; M383-F535 HydrophobicContact SD-CE1 4.06Å; M383-F535 HydrophobicContact SD-CG 3.59Å; M383-F535 VanDerWaalsContact SD-CG 3.59Å; V386-F535 HydrophobicContact CG1-CE1 4.4Å; S388-F535 VanDerWaalsContact OG-CZ 3.24Å; S388-F535 WeakPolarHBondContact OG-CZ 3.41Å; P391-F535 HydrophobicContact CB-CE2 4.23Å; P391-F535 HydrophobicContact CG-CE2 4.34Å; P391-F535 HydrophobicContact CG-CZ 4.41Å; V531-F535 HydrophobicContact CB-CD2 4.35Å; V531-F535 HydrophobicContact CG1-CB 4.28Å; V531-F535 HydrophobicContact CG1-CD2 4.1Å; V531-F535 HydrophobicContact CG2-CD2 4.28Å; V531-F535 WeakPolarHBondContact O-CB 3.34Å; V531-F535 PolarHBondContact O-N 3.4Å; F535-Y539 VanDerWaalsContact O-CB 3.25Å; F535-Y539 WeakPolarHBondContact O-CB 3.1Å; F535-Y539 PolarHBondContact O-N 3.4Å |
| 536 | I | 72.6 | Confident | 70 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.2 | -44.7 | -179.4 | -64.3 | -171.6 | 0 | 0 | 0 | 113.5 | I364 I366 V531 E532 M538 Y539 L540 | I364-I536 HydrophobicContact CB-CD1 4.23Å; I364-I536 HydrophobicContact CB-CG2 4.26Å; I364-I536 HydrophobicContact CD1-CG2 4.33Å; I364-I536 HydrophobicContact CG2-CD1 4.04Å; I366-I536 HydrophobicContact CD1-CD1 4.35Å; I366-I536 HydrophobicContact CG1-CD1 3.83Å; V531-I536 PolarHBondContact O-N 2.9Å; E532-I536 HydrophobicContact CG-CD1 3.9Å; E532-I536 WeakPolarHBondContact O-CB 3.33Å; I536-M538 VanDerWaalsContact C-N 3.3Å; I536-M538 PolarHBondContact O-N 2.88Å; I536-Y539 WeakPolarHBondContact O-CB 3.43Å; I536-Y539 PolarHBondContact O-N 3.48Å; I536-L540 HydrophobicContact CG2-CD1 3.98Å; I536-L540 HydrophobicContact CG2-CG 4.18Å; I536-L540 WeakPolarHBondContact O-CG 3.48Å; I536-L540 PolarHBondContact O-N 2.91Å |
| 537 | P | 67.3 | Low | 69.4 | Low | 32 Ų | 32 | 56.6 Ų | 56.6 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 177.6 | -26.6 | 34.7 | 0 | 0 | 0 | 112.6 | E532 L540 E541 | E532-P537 VanDerWaalsContact O-CD 3.29Å; E532-P537 WeakPolarHBondContact O-CD 3.29Å; P537-L540 PolarHBondContact O-N 3.26Å; P537-E541 PolarHBondContact O-N 3.49Å |
| 538 | M | 69.2 | Low | 68.9 | Low | 89 Ų | 89 | 60.6 Ų | 60.6 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -78 | -23.4 | -179.5 | -172 | -176.2 | -64.8 | 0 | 0 | 112.6 | Y382 I536 S542 | Y382-M538 HydrophobicContact CE2-CG 4.28Å; Y382-M538 WeakPolarHBondContact OH-CB 3.44Å; Y382-M538 WeakPolarHBondContact OH-CG 3.31Å; Y382-M538 PolarHBondContact OH-SD 2.91Å; I536-M538 VanDerWaalsContact C-N 3.3Å; I536-M538 PolarHBondContact O-N 2.88Å; M538-S542 PolarHBondContact O-N 3.35Å |
| 539 | Y | 75.1 | Confident | 67.9 | Low | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -45.5 | 165.3 | 170.5 | -125 | 0 | 0 | 0 | 111.7 | I364 P378 F379 Y382 F535 I536 E541 S542 Y545 | I364-Y539 HydrophobicContact CD1-CE1 4.35Å; P378-Y539 HydrophobicContact CB-CE2 4.31Å; F379-Y539 HydrophobicContact CB-CE1 4.13Å; F379-Y539 HydrophobicContact CB-CE2 4.14Å; F379-Y539 AromaticContact CD2-CD1 3.82Å; F379-Y539 HydrophobicContact CD2-CD1 3.82Å; F379-Y539 HydrophobicContact CD2-CD2 4.12Å; F379-Y539 HydrophobicContact CD2-CE1 4.17Å; F379-Y539 HydrophobicContact CD2-CE2 4.47Å; F379-Y539 AromaticContact CD2-CG 3.78Å; F379-Y539 HydrophobicContact CD2-CG 3.78Å; F379-Y539 HydrophobicContact CE2-CG 4.46Å; Y382-Y539 AromaticContact CD1-CD2 3.96Å; Y382-Y539 HydrophobicContact CD1-CD2 3.96Å; Y382-Y539 HydrophobicContact CD1-CG 4.19Å; Y382-Y539 HydrophobicContact CD2-CD2 4.45Å; Y382-Y539 AromaticContact CG-CD2 3.78Å; Y382-Y539 HydrophobicContact CG-CD2 3.78Å; Y382-Y539 HydrophobicContact CG-CG 4.41Å; F535-Y539 VanDerWaalsContact O-CB 3.25Å; F535-Y539 WeakPolarHBondContact O-CB 3.1Å; F535-Y539 PolarHBondContact O-N 3.4Å; I536-Y539 WeakPolarHBondContact O-CB 3.43Å; I536-Y539 PolarHBondContact O-N 3.48Å; Y539-E541 PolarHBondContact O-N 2.96Å; Y539-S542 WeakPolarHBondContact O-CB 3.21Å; Y539-S542 PolarHBondContact O-N 3.42Å; Y539-S542 PolarHBondContact O-OG 3.35Å; Y539-Y545 HydrophobicContact CD1-CD2 4.41Å; Y539-Y545 AromaticContact CE1-CD2 3.83Å; Y539-Y545 HydrophobicContact CE1-CD2 3.83Å; Y539-Y545 HydrophobicContact CE1-CE2 4.49Å; Y539-Y545 HydrophobicContact CE2-CD2 4.33Å; Y539-Y545 AromaticContact CZ-CD2 3.78Å; Y539-Y545 WeakPolarHBondContact O-CB 3.36Å |
| 540 | L | 70.6 | Confident | 66.7 | Low | 60 Ų | 60 | 61.9 Ų | 61.9 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.7 | -28.7 | 177.8 | -70.7 | 170.2 | 0 | 0 | 0 | 112.8 | I364 I536 P537 Y545 | I364-L540 HydrophobicContact CD1-CD2 3.8Å; I536-L540 HydrophobicContact CG2-CD1 3.98Å; I536-L540 HydrophobicContact CG2-CG 4.18Å; I536-L540 WeakPolarHBondContact O-CG 3.48Å; I536-L540 PolarHBondContact O-N 2.91Å; P537-L540 PolarHBondContact O-N 3.26Å; L540-Y545 HydrophobicContact CD2-CD1 4.28Å; L540-Y545 HydrophobicContact CD2-CD2 4.29Å; L540-Y545 HydrophobicContact CD2-CE1 3.74Å; L540-Y545 HydrophobicContact CD2-CE2 3.75Å; L540-Y545 VanDerWaalsContact CD2-CZ 3.44Å; L540-Y545 VanDerWaalsContact O-CD1 3.23Å; L540-Y545 WeakPolarHBondContact O-CD1 3Å |
| 541 | E | 65.6 | Low | 65.5 | Low | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.8 | 176.1 | -68.3 | 168 | -166.6 | 0 | 0 | 112.8 | K359 P537 Y539 | K359-E541 IonicContact NZ-OE1 3.71Å; K359-E541 PolarHBondContact NZ-OE1 3.46Å; P537-E541 PolarHBondContact O-N 3.49Å; Y539-E541 PolarHBondContact O-N 2.96Å |
| 542 | S | 65.6 | Low | 63.6 | Low | 6 Ų | 6 | 69.5 Ų | 69.5 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -79.3 | 147.9 | -175.1 | 74.1 | 0 | 0 | 0 | 0 | 114.4 | M538 Y539 E544 Y545 I546 | M538-S542 PolarHBondContact O-N 3.35Å; Y539-S542 WeakPolarHBondContact O-CB 3.21Å; Y539-S542 PolarHBondContact O-N 3.42Å; Y539-S542 PolarHBondContact O-OG 3.35Å; S542-E544 PolarHBondContact O-N 3.09Å; S542-Y545 PolarHBondContact O-N 2.91Å; S542-Y545 PolarHBondContact OG-N 3.35Å; S542-I546 WeakPolarHBondContact O-CG1 2.77Å; S542-I546 PolarHBondContact O-N 3.07Å |
| 543 | P | 62.9 | Low | 61.4 | Low | 75 Ų | 75 | 70.8 Ų | 70.8 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56 | -27.6 | 168.4 | -25.2 | 35 | 0 | 0 | 0 | 113.8 | K547 | P543-K547 WeakPolarHBondContact O-CB 3.36Å; P543-K547 VanDerWaalsContact O-CD 3.28Å; P543-K547 WeakPolarHBondContact O-CD 3.24Å; P543-K547 WeakPolarHBondContact O-CG 3.48Å; P543-K547 PolarHBondContact O-N 3.46Å |
| 544 | E | 66 | Low | 59.6 | Low | 36 Ų | 36 | 74 Ų | 74 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.6 | -49.4 | 177.8 | -72 | 86 | 146.5 | 0 | 0 | 111.7 | Q381 S385 S542 I546 K547 H548 | Q381-E544 HydrophobicContact CB-CG 4.49Å; S385-E544 VanDerWaalsContact CB-OE1 3.3Å; S385-E544 WeakPolarHBondContact CB-OE1 3.29Å; S385-E544 PolarHBondContact OG-OE1 3.47Å; S542-E544 PolarHBondContact O-N 3.09Å; E544-I546 VanDerWaalsContact C-N 3.34Å; E544-K547 PolarHBondContact O-N 3.15Å; E544-H548 PolarHBondContact O-N 2.95Å; E544-H548 VanDerWaalsContact O-N 3.13Å |
| 545 | Y | 71.2 | Confident | 57.9 | Low | 68 Ų | 68 | 74.8 Ų | 74.8 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 172.5 | 179.7 | -103.9 | 0 | 0 | 0 | 111.4 | Y539 L540 S542 K547 H548 S549 | Y539-Y545 HydrophobicContact CD1-CD2 4.41Å; Y539-Y545 AromaticContact CE1-CD2 3.83Å; Y539-Y545 HydrophobicContact CE1-CD2 3.83Å; Y539-Y545 HydrophobicContact CE1-CE2 4.49Å; Y539-Y545 HydrophobicContact CE2-CD2 4.33Å; Y539-Y545 AromaticContact CZ-CD2 3.78Å; Y539-Y545 WeakPolarHBondContact O-CB 3.36Å; L540-Y545 HydrophobicContact CD2-CD1 4.28Å; L540-Y545 HydrophobicContact CD2-CD2 4.29Å; L540-Y545 HydrophobicContact CD2-CE1 3.74Å; L540-Y545 HydrophobicContact CD2-CE2 3.75Å; L540-Y545 VanDerWaalsContact CD2-CZ 3.44Å; L540-Y545 VanDerWaalsContact O-CD1 3.23Å; L540-Y545 WeakPolarHBondContact O-CD1 3Å; S542-Y545 PolarHBondContact O-N 2.91Å; S542-Y545 PolarHBondContact OG-N 3.35Å; Y545-K547 PolarHBondContact O-N 3.01Å; Y545-H548 PolarHBondContact O-N 3.49Å; Y545-S549 WeakPolarHBondContact CD2-OG 3.34Å; Y545-S549 WeakPolarHBondContact CE2-OG 3.12Å; Y545-S549 VanDerWaalsContact CZ-OG 3.3Å; Y545-S549 VanDerWaalsContact O-CB 3.3Å; Y545-S549 WeakPolarHBondContact O-CB 3.37Å; Y545-S549 PolarHBondContact O-N 3.2Å; Y545-S549 PolarHBondContact O-OG 3.27Å; Y545-S549 VanDerWaalsContact O-OG 3.1Å |
| 546 | I | 60.3 | Low | 55.8 | Low | 76 Ų | 76 | 77.7 Ų | 77.7 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 177 | -67.1 | 166.9 | 0 | 0 | 0 | 111.3 | S542 E544 H548 F550 | S542-I546 WeakPolarHBondContact O-CG1 2.77Å; S542-I546 PolarHBondContact O-N 3.07Å; E544-I546 VanDerWaalsContact C-N 3.34Å; I546-H548 VanDerWaalsContact C-N 3.32Å; I546-H548 PolarHBondContact O-N 3.02Å; I546-F550 HydrophobicContact CB-CD2 4.44Å; I546-F550 HydrophobicContact CG2-CD2 3.92Å; I546-F550 HydrophobicContact CG2-CE2 4.43Å; I546-F550 WeakPolarHBondContact O-CB 3.43Å; I546-F550 WeakPolarHBondContact O-CD2 3.31Å; I546-F550 PolarHBondContact O-N 3.42Å; I546-F550 VanDerWaalsContact O-N 3.16Å |
| 547 | K | 62.7 | Low | 53.7 | Low | 130 Ų | 130 | 83.1 Ų | 83.1 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.3 | -38.1 | 176.4 | -76.3 | 160.3 | -169.3 | 162.9 | 0 | 112.6 | P543 E544 Y545 F552 | P543-K547 WeakPolarHBondContact O-CB 3.36Å; P543-K547 VanDerWaalsContact O-CD 3.28Å; P543-K547 WeakPolarHBondContact O-CD 3.24Å; P543-K547 WeakPolarHBondContact O-CG 3.48Å; P543-K547 PolarHBondContact O-N 3.46Å; E544-K547 PolarHBondContact O-N 3.15Å; Y545-K547 PolarHBondContact O-N 3.01Å; K547-F552 PolarHBondContact O-N 3.32Å |
| 548 | H | 64.2 | Low | 51.7 | Low | 84 Ų | 84 | 87 Ų | 87 | 39% | 0.389 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.8 | -58.7 | 178.9 | -174 | -112.5 | 0 | 0 | 0 | 111.6 | P378 E544 Y545 I546 F550 G551 | P378-H548 HydrophobicContact CB-CB 4.12Å; P378-H548 HydrophobicContact CG-CB 3.83Å; P378-H548 WeakPolarHBondContact CG-CD2 3.19Å; P378-H548 VanDerWaalsContact CG-CG 3.44Å; E544-H548 PolarHBondContact O-N 2.95Å; E544-H548 VanDerWaalsContact O-N 3.13Å; Y545-H548 PolarHBondContact O-N 3.49Å; I546-H548 VanDerWaalsContact C-N 3.32Å; I546-H548 PolarHBondContact O-N 3.02Å; H548-F550 VanDerWaalsContact C-N 3.35Å; H548-F550 PolarHBondContact O-N 2.93Å; H548-G551 PolarHBondContact O-N 3.48Å; H548-G551 VanDerWaalsContact O-N 3.15Å |
| 549 | S | 57.4 | Low | 49.9 | Very low | 58 Ų | 58 | 88.5 Ų | 88.5 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.6 | -26.2 | -170.4 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | Y545 | Y545-S549 WeakPolarHBondContact CD2-OG 3.34Å; Y545-S549 WeakPolarHBondContact CE2-OG 3.12Å; Y545-S549 VanDerWaalsContact CZ-OG 3.3Å; Y545-S549 VanDerWaalsContact O-CB 3.3Å; Y545-S549 WeakPolarHBondContact O-CB 3.37Å; Y545-S549 PolarHBondContact O-N 3.2Å; Y545-S549 PolarHBondContact O-OG 3.27Å; Y545-S549 VanDerWaalsContact O-OG 3.1Å |
| 550 | F | 47.6 | Very low | 48 | Very low | 113 Ų | 113 | 92.1 Ų | 92.1 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 11.3 | 175.2 | -67.5 | -80.9 | 0 | 0 | 0 | 114.1 | I546 H548 F552 F591 | I546-F550 HydrophobicContact CB-CD2 4.44Å; I546-F550 HydrophobicContact CG2-CD2 3.92Å; I546-F550 HydrophobicContact CG2-CE2 4.43Å; I546-F550 WeakPolarHBondContact O-CB 3.43Å; I546-F550 WeakPolarHBondContact O-CD2 3.31Å; I546-F550 PolarHBondContact O-N 3.42Å; I546-F550 VanDerWaalsContact O-N 3.16Å; H548-F550 VanDerWaalsContact C-N 3.35Å; H548-F550 PolarHBondContact O-N 2.93Å; F550-F552 HydrophobicContact CB-CD2 3.88Å; F550-F552 HydrophobicContact CB-CE2 3.8Å; F550-F552 PolarHBondContact O-N 2.95Å; F550-F591 HydrophobicContact CE1-CD1 4.19Å; F550-F591 HydrophobicContact CE1-CE1 4.44Å |
| 551 | G | 42.6 | Very low | 45.9 | Very low | 50 Ų | 50 | 94.6 Ų | 94.6 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 31.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H548 S553 | H548-G551 PolarHBondContact O-N 3.48Å; H548-G551 VanDerWaalsContact O-N 3.15Å; G551-S553 PolarHBondContact O-N 3.17Å |
| 552 | F | 32.5 | Very low | 44.1 | Very low | 137 Ų | 137 | 95.1 Ų | 95.1 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | trans | -73.3 | 26.7 | 177.8 | -79.4 | -76.1 | 0 | 0 | 0 | 113.9 | K547 F550 H554 | K547-F552 PolarHBondContact O-N 3.32Å; F550-F552 HydrophobicContact CB-CD2 3.88Å; F550-F552 HydrophobicContact CB-CE2 3.8Å; F550-F552 PolarHBondContact O-N 2.95Å; F552-H554 PolarHBondContact O-N 3.49Å | ||
| 553 | S | 27.9 | Very low | 42.1 | Very low | 90 Ų | 90 | 101.3 Ų | 101.3 | 63% | 0.629 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 27.8 | -177.8 | 54 | 0 | 0 | 0 | 0 | 114.7 | G551 | G551-S553 PolarHBondContact O-N 3.17Š|
| 554 | H | 31 | Very low | 40.3 | Very low | 173 Ų | 173 | 104.6 Ų | 104.6 | 80% | 0.801 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 12.8 | 174.7 | -94.3 | -58.3 | 0 | 0 | 0 | 115.9 | F552 | F552-H554 PolarHBondContact O-N 3.49Š|
| 555 | I | 30.5 | Very low | 38.4 | Very low | 156 Ų | 156 | 110.9 Ų | 110.9 | 80% | 0.8 | 63% | 0.632 | S | S | * | * | trans | -95.9 | 24.7 | 155.2 | -39.7 | -174.5 | 0 | 0 | 0 | 110.8 | T557 | I555-T557 PolarHBondContact O-N 3.2Š| ||
| 556 | S | 28.4 | Very low | 36.2 | Very low | 74 Ų | 74 | 115 Ų | 115 | 52% | 0.517 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -72.1 | 100.6 | 151.7 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 557 | T | 29.1 | Very low | 34.5 | Very low | 126 Ų | 126 | 114.1 Ų | 114.1 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | trans | 57.9 | 114.7 | 157.7 | 60.8 | 0 | 0 | 0 | 0 | 119.4 | I555 | I555-T557 PolarHBondContact O-N 3.2Š| ||
| 558 | S | 25.7 | Very low | 32.8 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -172.7 | 96.9 | 132.9 | 33.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 559 | S | 31.3 | Very low | 30.9 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | trans | -166.9 | 25.7 | 163.5 | 56.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 560 | A | 34.9 | Very low | 29.8 | Very low | 78 Ų | 78 | 117.6 Ų | 117.6 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | cis | 40.5 | 100.2 | 49.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 561 | S | 26.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | trans | -153.2 | 48.2 | 172.6 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 562 | S | 26.7 | Very low | 27.9 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | -120.2 | 70.5 | 157.1 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 563 | L | 23.5 | Very low | 27.6 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | -66.5 | 134.5 | 169.6 | -76.5 | 73.3 | 0 | 0 | 0 | 109.7 | ||||
| 564 | N | 25.2 | Very low | 27.4 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 168.5 | 108.5 | 122.5 | -80.4 | -24 | 0 | 0 | 0 | 107.1 | |||||
| 565 | K | 26.1 | Very low | 27.1 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 74% | 0.735 | 74% | 0.74 | S | S | * | * | cis | 62.5 | 107 | 46.8 | -156.4 | -169 | -177.3 | -178.3 | 0 | 111.5 | ||||
| 566 | I | 25.8 | Very low | 26.7 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 66.8 | 130.5 | 176.2 | -54.6 | 143.8 | 0 | 0 | 0 | 111.3 | ||||
| 567 | G | 25.4 | Very low | 26.4 | Very low | 58 Ų | 58 | 137.7 Ų | 137.7 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | cis | 114.8 | 104.7 | 19.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 568 | V | 25.9 | Very low | 26.3 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 87% | 0.873 | 74% | 0.744 | S | S | * | * | trans | 69.5 | 106.2 | 176.8 | -167.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 569 | S | 25 | Very low | 26.3 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | 26.8 | 150.1 | 128.6 | -149.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 570 | P | 33.7 | Very low | 26 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | cis | -138.5 | -174.1 | -46.2 | 41.3 | -25.7 | 0 | 0 | 0 | 113.2 | ||||
| 571 | K | 25.1 | Very low | 25.6 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | trans | 77.4 | 132 | 159.9 | -65.8 | 169.9 | -177.3 | 169.6 | 0 | 120.2 | ||||
| 572 | R | 25.1 | Very low | 25.6 | Very low | 208 Ų | 208 | 139.7 Ų | 139.7 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | 70.3 | 111.5 | 139.4 | -72 | -168.2 | 171.5 | 137.4 | -0.4 | 122.1 | ||||
| 573 | D | 25.8 | Very low | 25.7 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | 77.7 | 142.8 | 117.5 | -62.7 | -37.8 | 0 | 0 | 0 | 123.2 | |||||
| 574 | I | 25.1 | Very low | 25.9 | Very low | 137 Ų | 137 | 140 Ų | 140 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | trans | 83.3 | 96.1 | 147.1 | -71.7 | 158.8 | 0 | 0 | 0 | 120.2 | ||||
| 575 | R | 23.6 | Very low | 26 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | 61.5 | 126.7 | 123.6 | -62.5 | -179.7 | -178.8 | 162.6 | -0.4 | 122.8 | |||||
| 576 | R | 23.7 | Very low | 26 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | 83.4 | 143.5 | 124.4 | -80.1 | 179 | 178.1 | -174.4 | -2 | 121.4 | |||||
| 577 | L | 22.1 | Very low | 26 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | 64.2 | 162 | 163.7 | -86 | 75 | 0 | 0 | 0 | 116.1 | ||||
| 578 | S | 25.2 | Very low | 26.1 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 58% | 0.58 | 75% | 0.748 | S | S | * | * | cis | -174.2 | 164.7 | -41.3 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 579 | Q | 25.7 | Very low | 26.3 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | trans | 76 | 125.2 | 156.3 | -70.5 | 177.1 | -9 | 0 | 0 | 120.9 | ||||
| 580 | N | 25.1 | Very low | 26.3 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | 79.3 | 121.4 | 126.2 | -65.7 | 1.5 | 0 | 0 | 0 | 124.5 | |||||
| 581 | V | 26.6 | Very low | 25.9 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | 75.9 | 129.4 | 127 | 176.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 582 | G | 27.4 | Very low | 26 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 175.8 | 146.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 583 | T | 29.4 | Very low | 26.4 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | -144.7 | 150.1 | -167.4 | 55 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 584 | N | 26.7 | Very low | 26.6 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | 84.8 | 140.7 | 145.6 | -73.2 | -7.8 | 0 | 0 | 0 | 123.6 | ||||
| 585 | Q | 27.3 | Very low | 26.8 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | 91.2 | 112.1 | 139.9 | -82.4 | 172.9 | -30.4 | 0 | 0 | 124.5 | ||||
| 586 | Q | 26.6 | Very low | 27.2 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | 84.3 | 124.1 | 123.8 | -77.7 | 175.9 | -28.4 | 0 | 0 | 125.1 | |||||
| 587 | Q | 26.5 | Very low | 27.5 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 62 | 125.8 | 135.5 | -64.3 | 179.4 | -11.6 | 0 | 0 | 122.7 | ||||
| 588 | T | 27.1 | Very low | 28 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | 164.3 | 163 | 106.1 | 40.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 589 | G | 28.7 | Very low | 28.2 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 83.6 | 106.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 590 | L | 26.8 | Very low | 28.2 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | cis | 94 | 51.7 | 6.2 | -137.2 | 173.7 | 0 | 0 | 0 | 117.9 | ||||
| 591 | F | 24.6 | Very low | 28.2 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | trans | -157.3 | 154.2 | 149.6 | -142.7 | -107.6 | 0 | 0 | 0 | 111.1 | F550 | F550-F591 HydrophobicContact CE1-CD1 4.19Å; F550-F591 HydrophobicContact CE1-CE1 4.44Å | ||
| 592 | G | 27.2 | Very low | 28.3 | Very low | 48 Ų | 48 | 132.5 Ų | 132.5 | 50% | 0.495 | 74% | 0.744 | S | S | . | * | trans | 129 | -32 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | A594 | G592-A594 PolarHBondContact O-N 3.35Š| ||
| 593 | N | 33 | Very low | 28.4 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 39.4 | -174.9 | -73.5 | -4.7 | 0 | 0 | 0 | 114.7 | ||
| 594 | A | 30.2 | Very low | 28.4 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -19 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G592 | G592-A594 PolarHBondContact O-N 3.35Š|
| 595 | L | 28.3 | Very low | 28.4 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -114.6 | -26.9 | -172.2 | -91.9 | 164.7 | 0 | 0 | 0 | 116.1 | N597 | L595-N597 VanDerWaalsContact C-N 3.32Å; L595-N597 PolarHBondContact O-N 2.94Å |
| 596 | M | 32.7 | Very low | 28.4 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -81.3 | -8.5 | 177.9 | -70.1 | -63.3 | -74.4 | 0 | 0 | 114.2 | V598 | M596-V598 PolarHBondContact O-N 3.09Š|
| 597 | N | 30.9 | Very low | 28.5 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -82.1 | 4.8 | 175.1 | -74.9 | -11.1 | 0 | 0 | 0 | 113.5 | L595 | L595-N597 VanDerWaalsContact C-N 3.32Å; L595-N597 PolarHBondContact O-N 2.94Å |
| 598 | V | 32.2 | Very low | 28.5 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 61% | 0.606 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -85.3 | -23.4 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | M596 | M596-V598 PolarHBondContact O-N 3.09Š|
| 599 | F | 29.5 | Very low | 28.3 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -115.4 | 12.6 | -173.7 | -71 | -72.3 | 0 | 0 | 0 | 115.2 | ||
| 600 | N | 24.5 | Very low | 28.2 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | -119.3 | 97.1 | 174.2 | -88.4 | -42.8 | 0 | 0 | 0 | 110.7 | ||||
| 601 | S | 26.8 | Very low | 28.1 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -120.8 | 114.7 | 175.8 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 602 | Q | 28.5 | Very low | 28.1 | Very low | 189 Ų | 189 | 130.5 Ų | 130.5 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | 70.6 | 150.3 | 162.3 | -57.1 | 171 | 5.1 | 0 | 0 | 115.5 | ||||
| 603 | S | 28.2 | Very low | 27.9 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | cis | -168.8 | 157.4 | -13.7 | 43.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 604 | T | 28.9 | Very low | 27.5 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -158.9 | 156.6 | -21.9 | 21.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 605 | D | 27.8 | Very low | 27.2 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 64.3 | 142.2 | 162.2 | -52.1 | -33.8 | 0 | 0 | 0 | 120 | ||||
| 606 | G | 27.3 | Very low | 27.1 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | cis | 158.1 | 152.7 | -9.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 607 | Q | 28.9 | Very low | 26.6 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | 72.2 | 143.4 | 163 | -58.9 | 179.5 | 25.2 | 0 | 0 | 117.9 | ||||
| 608 | F | 26 | Very low | 26.2 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | cis | -143.1 | 162.9 | -4.9 | -121.8 | -59.1 | 0 | 0 | 0 | 111.8 | ||||
| 609 | F | 23.2 | Very low | 25.8 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -58.1 | 154.2 | -178.8 | -77.2 | -116.6 | 0 | 0 | 0 | 115 | ||||
| 610 | G | 26 | Very low | 25.5 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | trans | -151.4 | 7.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 611 | N | 25 | Very low | 25.5 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 54.7 | 127.4 | 163.3 | -81.1 | -6.9 | 0 | 0 | 0 | 122.9 | ||||
| 612 | L | 24.1 | Very low | 25.4 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | 64.2 | 110.7 | 129.2 | -64.3 | 167 | 0 | 0 | 0 | 121.9 | |||||
| 613 | D | 23.3 | Very low | 25.1 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | 51.4 | 119.8 | 115.2 | -68.4 | -21 | 0 | 0 | 0 | 122.5 | |||||
| 614 | S | 24.7 | Very low | 24.9 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 34.4 | 107.7 | 137.5 | 69.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 615 | S | 23.8 | Very low | 24.6 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | -176.4 | 164.8 | 119.2 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 616 | K | 25.7 | Very low | 24.6 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 72.8 | 102 | 169 | -57.6 | 150.2 | -167.6 | 169.1 | 0 | 114.1 | ||||
| 617 | L | 23.1 | Very low | 24.5 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | 68.9 | 119.3 | 69.7 | -74.8 | 136.7 | 0 | 0 | 0 | 113.9 | |||||
| 618 | S | 23.2 | Very low | 24.3 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | -36.3 | 165.2 | 153.4 | 54.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 619 | V | 23.2 | Very low | 24.4 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | trans | 120.8 | 120.2 | 156.3 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 620 | S | 23 | Very low | 24.5 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | -57.3 | 165.4 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 621 | S | 24.6 | Very low | 24.4 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 90.1 | 161.9 | 148.7 | 84.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 622 | I | 24.9 | Very low | 24.4 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | trans | 72.9 | 105.1 | 173.8 | -57 | 164.4 | 0 | 0 | 0 | 113.2 | ||||
| 623 | R | 22.5 | Very low | 24.5 | Very low | 203 Ų | 203 | 147.7 Ų | 147.7 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | cis | 82.8 | 124.6 | 39.9 | -168.8 | -155.3 | -116.1 | -161.5 | -0 | 112.9 | ||||
| 624 | R | 23.4 | Very low | 24.5 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | trans | 74.2 | 150.9 | -176.3 | -70.6 | 166 | -72.4 | -163.8 | -2.7 | 112.2 | ||||
| 625 | N | 22.5 | Very low | 24.5 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | cis | 175 | 175.2 | -21.1 | -123.3 | -2.6 | 0 | 0 | 0 | 103.4 | ||||
| 626 | Q | 28.6 | Very low | 24.6 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | 81.7 | 100.7 | -169.6 | -53.8 | 179.9 | -11.4 | 0 | 0 | 111.1 | ||||
| 627 | K | 24.8 | Very low | 24.6 | Very low | 169 Ų | 169 | 151 Ų | 151 | 74% | 0.735 | 75% | 0.752 | S | S | * | * | cis | 75.7 | 136.3 | 22.9 | -148.5 | -156.2 | 170.3 | -110.1 | 0 | 114.1 | ||||
| 628 | D | 25.1 | Very low | 24.6 | Very low | 92 Ų | 92 | 148.9 Ų | 148.9 | 49% | 0.492 | 75% | 0.745 | S | S | . | * | trans | 67.1 | 85.5 | 168.5 | -52.9 | -34.3 | 0 | 0 | 0 | 118.2 | ||||
| 629 | R | 26.6 | Very low | 24.6 | Very low | 235 Ų | 235 | 150 Ų | 150 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | S | Bend | -179.2 | 76.1 | 126 | -98.6 | 172.3 | -172.1 | -156.6 | 2.5 | 114.5 | |||
| 630 | F | 25.6 | Very low | 24.6 | Very low | 225 Ų | 225 | 154 Ų | 154 | 99% | 0.987 | 74% | 0.744 | S | S | * | * | S | Bend | -155.4 | 63.5 | 128.4 | -111.4 | -66.8 | 0 | 0 | 0 | 108.6 | |||
| 631 | T | 24.5 | Very low | 24.6 | Very low | 90 Ų | 90 | 154.2 Ų | 154.2 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | trans | -106 | 154.5 | 174.7 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 632 | N | 24.4 | Very low | 24.6 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | trans | 81.7 | 62.9 | 171 | -50.1 | -6.9 | 0 | 0 | 0 | 117.4 | ||||
| 633 | I | 27.7 | Very low | 24.6 | Very low | 177 Ų | 177 | 158.6 Ų | 158.6 | 91% | 0.908 | 75% | 0.746 | S | S | * | * | -130.1 | 77.7 | 121.1 | -52.6 | 179 | 0 | 0 | 0 | 103.9 | |||||
| 634 | L | 22.8 | Very low | 24.7 | Very low | 133 Ų | 133 | 156.6 Ų | 156.6 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | 59.8 | 137.9 | 65.6 | -147.1 | 86.7 | 0 | 0 | 0 | 112 | |||||
| 635 | N | 24.3 | Very low | 24.7 | Very low | 151 Ų | 151 | 156.5 Ų | 156.5 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | trans | -45.4 | 138.6 | 177.6 | -58 | -26.5 | 0 | 0 | 0 | 112 | ||||
| 636 | E | 25.5 | Very low | 24.7 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | -160.7 | 147.1 | 120.4 | -107.1 | -170.8 | 133 | 0 | 0 | 112.7 | |||||
| 637 | Q | 25.3 | Very low | 24.5 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | 43.1 | 107.1 | 151.3 | -52.9 | -179 | 37.7 | 0 | 0 | 117.5 | ||||
| 638 | T | 23.4 | Very low | 24.4 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | 45.7 | 140.1 | 71.5 | 79.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 639 | N | 23.5 | Very low | 24.5 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | trans | 80.4 | 128.6 | 166.1 | -67.4 | -72.4 | 0 | 0 | 0 | 119.6 | ||||
| 640 | R | 23.4 | Very low | 24.5 | Very low | 218 Ų | 218 | 143.2 Ų | 143.2 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | trans | 70.5 | 110.4 | 142.7 | -64.6 | 163.3 | -170.4 | -179.8 | -0.8 | 117.4 | ||||
| 641 | S | 23.3 | Very low | 24.5 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | 90 | 137.6 | 58.9 | -70.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 642 | N | 24.4 | Very low | 24.6 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 58% | 0.578 | 73% | 0.727 | S | S | * | * | trans | 62.1 | 103.5 | 159.9 | -50.2 | -14.7 | 0 | 0 | 0 | 115.8 | Y644 | N642-Y644 HydrophobicContact CB-CD2 4.06Å; N642-Y644 HydrophobicContact CB-CE2 4.23Å | ||
| 643 | R | 24.6 | Very low | 24.6 | Very low | 227 Ų | 227 | 139.6 Ų | 139.6 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | -155.2 | 132.8 | 70.8 | -92.4 | 144.2 | -88.9 | -152 | -2.6 | 112.6 | |||||
| 644 | Y | 24.5 | Very low | 24.7 | Very low | 161 Ų | 161 | 137 Ų | 137 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | 82.1 | 109.4 | 58 | -90.5 | -92.3 | 0 | 0 | 0 | 112.8 | N642 | N642-Y644 HydrophobicContact CB-CD2 4.06Å; N642-Y644 HydrophobicContact CB-CE2 4.23Å | |||
| 645 | Y | 23.2 | Very low | 24.8 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | 68.7 | 155.2 | 139.8 | -74.5 | -140.4 | 0 | 0 | 0 | 116.1 | ||||
| 646 | T | 23.5 | Very low | 25 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 63% | 0.632 | 72% | 0.721 | S | S | * | * | cis | -160.5 | 159.5 | 3 | 2.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 647 | N | 23.2 | Very low | 25.2 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | 55 | 117.6 | 140.2 | -72.2 | 5.5 | 0 | 0 | 0 | 124.4 | ||||
| 648 | T | 23.6 | Very low | 25.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | 42 | 126.2 | 122.2 | 68 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 649 | G | 27.3 | Very low | 25.3 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | -168 | 56.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 650 | T | 26.1 | Very low | 25.3 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | 28.5 | 129.1 | 133.7 | 57 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 651 | T | 25.3 | Very low | 25.5 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | 64.8 | 147.8 | 139.3 | 56.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 652 | T | 26.5 | Very low | 25.6 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | cis | -163.1 | 156.8 | 5.6 | 0.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 653 | T | 25.5 | Very low | 25.6 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 61.4 | 149.7 | 158.1 | 51.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 654 | T | 29.1 | Very low | 25.6 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | cis | -144.7 | 167.2 | 31.2 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 655 | T | 25.8 | Very low | 25.7 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -52.9 | 167.9 | 175.7 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 656 | A | 27.1 | Very low | 25.9 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 63% | 0.628 | 78% | 0.779 | S | S | * | * | cis | -163 | 173.6 | 31.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 657 | I | 30.1 | Very low | 25.9 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | 60 | 106.7 | 157.4 | -57.6 | 152.9 | 0 | 0 | 0 | 114.3 | ||||
| 658 | N | 25.1 | Very low | 26 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | cis | 59.9 | 71.6 | 35.3 | -82.7 | 13.4 | 0 | 0 | 0 | 115.5 | ||||
| 659 | E | 25.6 | Very low | 26.1 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -176.7 | 90.8 | 135 | -106.2 | 170.6 | -160 | 0 | 0 | 113.1 | ||||
| 660 | E | 24.6 | Very low | 26 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -158.6 | 103.6 | 156.2 | -146.9 | 176.6 | -146.7 | 0 | 0 | 109.8 | ||||
| 661 | L | 27 | Very low | 26 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -112.2 | 86 | -163 | -151.6 | 143.6 | 0 | 0 | 0 | 113.7 | ||||
| 662 | I | 26.1 | Very low | 26 | Very low | 150 Ų | 150 | 148 Ų | 148 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 63.9 | 73 | 153.2 | -43.7 | 173.7 | 0 | 0 | 0 | 114.9 | ||||
| 663 | T | 23.5 | Very low | 25.9 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -123 | 147.6 | 146.3 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 664 | N | 24.4 | Very low | 25.8 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 73.9 | 164.2 | -179.9 | -52.5 | -58 | 0 | 0 | 0 | 117.5 | ||
| 665 | Q | 27.7 | Very low | 25.7 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 64.4 | 68.5 | 174.8 | -54.3 | -163.2 | 19 | 0 | 0 | 118.2 | ||||
| 666 | H | 26.4 | Very low | 25.8 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -118.3 | 48.2 | 135.8 | -137.2 | -44.8 | 0 | 0 | 0 | 111.8 | ||||
| 667 | V | 24.1 | Very low | 26 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | -73.3 | 169.7 | 158.8 | -176.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 668 | I | 25.3 | Very low | 26.5 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 72.1 | 98.5 | -178.7 | -44.5 | 172.8 | 0 | 0 | 0 | 112.1 | ||||
| 669 | G | 25.4 | Very low | 27.3 | Very low | 70 Ų | 70 | 151.1 Ų | 151.1 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -166 | -39.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K671 | G669-K671 PolarHBondContact O-N 2.63Š| ||
| 670 | I | 26.1 | Very low | 28.5 | Very low | 174 Ų | 174 | 145 Ų | 145 | 89% | 0.892 | 77% | 0.768 | S | S | * | * | trans | -75.9 | 72.6 | 169 | -47.7 | 179.1 | 0 | 0 | 0 | 109.4 | ||||
| 671 | K | 24.9 | Very low | 30.2 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | trans | -67.6 | 146.7 | 147.5 | -77.2 | -176.7 | 175.1 | 178.1 | 0 | 107.4 | G669 L673 | G669-K671 PolarHBondContact O-N 2.63Å; K671-L673 PolarHBondContact O-N 3.16Å | ||
| 672 | H | 25 | Very low | 32.3 | Very low | 186 Ų | 186 | 131.1 Ų | 131.1 | 86% | 0.861 | 70% | 0.701 | S | S | * | * | trans | -54.4 | 108.2 | 158.3 | -79.8 | -107.6 | 0 | 0 | 0 | 107.8 | P674 | H672-P674 WeakPolarHBondContact O-CD 3.42Š| ||
| 673 | L | 24.6 | Very low | 34.1 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | -69.7 | 123.5 | 164 | -169.9 | 71.2 | 0 | 0 | 0 | 106 | K671 | K671-L673 PolarHBondContact O-N 3.16Š| ||
| 674 | P | 24.9 | Very low | 36.3 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 53% | 0.532 | 67% | 0.669 | S | S | . | * | trans | -58 | 147.7 | -174.4 | -27.5 | 36.2 | 0 | 0 | 0 | 112.8 | H672 T676 | H672-P674 WeakPolarHBondContact O-CD 3.42Å; P674-T676 WeakPolarHBondContact CB-OG1 3.48Å; P674-T676 PolarHBondContact O-N 2.84Å | ||
| 675 | E | 26.9 | Very low | 38.7 | Very low | 202 Ų | 202 | 119.1 Ų | 119.1 | 94% | 0.944 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -71.7 | 53.4 | 171.6 | -64.7 | 179.2 | 105.5 | 0 | 0 | 111.8 | ||
| 676 | T | 27.3 | Very low | 41.3 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 72% | 0.724 | 62% | 0.615 | S | S | * | * | trans | -150.8 | 45.3 | -177.7 | 38 | 0 | 0 | 0 | 0 | 112.5 | P674 | P674-T676 WeakPolarHBondContact CB-OG1 3.48Å; P674-T676 PolarHBondContact O-N 2.84Å | ||
| 677 | T | 30.6 | Very low | 44.1 | Very low | 111 Ų | 111 | 105.5 Ų | 105.5 | 68% | 0.681 | 57% | 0.574 | S | S | * | * | trans | -88.5 | 120.1 | 152 | 34.3 | 0 | 0 | 0 | 0 | 108.4 | Q679 | T677-Q679 PolarHBondContact O-N 3.34Š| ||
| 678 | P | 40.4 | Very low | 47.1 | Very low | 122 Ų | 122 | 102.7 Ų | 102.7 | 79% | 0.792 | 55% | 0.551 | S | S | * | * | trans | -65.8 | 129.3 | -176.3 | 26.3 | -33.6 | 0 | 0 | 0 | 110.2 | L680 | P678-L680 PolarHBondContact O-N 2.83Š| ||
| 679 | Q | 42 | Very low | 49.9 | Very low | 167 Ų | 167 | 96.1 Ų | 96.1 | 78% | 0.78 | 52% | 0.517 | S | S | * | . | trans | -66.9 | 104.8 | 171.9 | -67.8 | -176.9 | -0.9 | 0 | 0 | 108.6 | T677 D681 | T677-Q679 PolarHBondContact O-N 3.34Å; Q679-D681 PolarHBondContact O-N 3.24Å | ||
| 680 | L | 52.4 | Low | 52.4 | Low | 67 Ų | 67 | 100.6 Ų | 100.6 | 35% | 0.351 | 51% | 0.512 | S | S | . | . | trans | -73.9 | 107 | 174.8 | -171.7 | 76.9 | 0 | 0 | 0 | 108.6 | P678 L682 M824 Y902 M906 | P678-L680 PolarHBondContact O-N 2.83Å; L680-L682 PolarHBondContact O-N 2.66Å; L680-M824 HydrophobicContact CD1-CE 4.21Å; L680-Y902 HydrophobicContact CB-CE2 4.12Å; L680-Y902 HydrophobicContact CD2-CE2 4.4Å; L680-M906 HydrophobicContact CD2-CE 4.04Å | ||
| 681 | D | 59.7 | Low | 54.9 | Low | 66 Ų | 66 | 93.7 Ų | 93.7 | 35% | 0.353 | 48% | 0.484 | S | S | . | . | trans | -60.5 | 118.1 | 174.3 | 177 | 12.7 | 0 | 0 | 0 | 110.1 | Q679 S683 | Q679-D681 PolarHBondContact O-N 3.24Å; D681-S683 PolarHBondContact O-N 3.1Å; D681-S683 VanDerWaalsContact O-N 3.14Å; D681-S683 VanDerWaalsContact OD1-CB 3.27Å; D681-S683 WeakPolarHBondContact OD1-CB 3.26Å; D681-S683 PolarHBondContact OD1-N 2.66Å; D681-S683 PolarHBondContact OD1-OG 3.5Å; D681-S683 VanDerWaalsContact OD2-CB 3.23Å; D681-S683 WeakPolarHBondContact OD2-CB 3.5Å; D681-S683 PolarHBondContact OD2-OG 2.48Å | ||
| 682 | L | 69.9 | Low | 57.4 | Low | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.005 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -67.1 | -7.4 | 178.4 | -65.3 | 174.7 | 0 | 0 | 0 | 113.1 | L680 Q684 C685 I890 R896 L901 Y902 M906 | L680-L682 PolarHBondContact O-N 2.66Å; L682-Q684 PolarHBondContact O-N 3.3Å; L682-C685 HydrophobicContact CD2-CB 4.49Å; L682-C685 WeakPolarHBondContact O-CB 3.35Å; L682-C685 PolarHBondContact O-N 2.9Å; L682-I890 HydrophobicContact CB-CG2 4.39Å; L682-I890 VanDerWaalsContact O-CG2 3.3Å; L682-I890 WeakPolarHBondContact O-CG2 3.31Å; L682-R896 WeakPolarHBondContact CD1-O 3.36Å; L682-R896 WeakPolarHBondContact CG-O 3.45Å; L682-L901 HydrophobicContact CD1-CB 4.39Å; L682-L901 HydrophobicContact CD1-CD2 3.92Å; L682-L901 HydrophobicContact CD1-CG 4.02Å; L682-Y902 HydrophobicContact CD2-CD2 4.32Å; L682-M906 HydrophobicContact CD2-CE 4.25Å |
| 683 | S | 64.8 | Low | 59.7 | Low | 48 Ų | 48 | 79.3 Ų | 79.3 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -55.6 | -24.4 | -180 | 72.4 | 0 | 0 | 0 | 0 | 115.4 | D681 | D681-S683 PolarHBondContact O-N 3.1Å; D681-S683 VanDerWaalsContact O-N 3.14Å; D681-S683 VanDerWaalsContact OD1-CB 3.27Å; D681-S683 WeakPolarHBondContact OD1-CB 3.26Å; D681-S683 PolarHBondContact OD1-N 2.66Å; D681-S683 PolarHBondContact OD1-OG 3.5Å; D681-S683 VanDerWaalsContact OD2-CB 3.23Å; D681-S683 WeakPolarHBondContact OD2-CB 3.5Å; D681-S683 PolarHBondContact OD2-OG 2.48Å |
| 684 | Q | 70 | Confident | 61.3 | Low | 113 Ų | 113 | 79.7 Ų | 79.7 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -99.1 | -2.1 | 179.7 | -66 | 177.8 | 10.9 | 0 | 0 | 113.4 | L682 M824 | L682-Q684 PolarHBondContact O-N 3.3Å; Q684-M824 HydrophobicContact CB-CE 3.57Å; Q684-M824 HydrophobicContact CB-SD 3.46Å; Q684-M824 WeakPolarHBondContact CB-SD 3.37Å; Q684-M824 HydrophobicContact CG-CE 4.45Å |
| 685 | C | 74.6 | Confident | 62.7 | Low | 8 Ų | 8 | 78.2 Ų | 78.2 | 5% | 0.054 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.8 | -178.1 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | L682 T822 E823 M824 I890 | L682-C685 HydrophobicContact CD2-CB 4.49Å; L682-C685 WeakPolarHBondContact O-CB 3.35Å; L682-C685 PolarHBondContact O-N 2.9Å; C685-T822 HydrophobicContact CB-CG2 3.95Å; C685-E823 CarbonylContact C-O 3.58Å; C685-E823 WeakPolarHBondContact CA-O 3.31Å; C685-M824 HydrophobicContact CB-SD 4.38Å; C685-M824 PolarHBondContact SG-SD 3.39Å; C685-I890 HydrophobicContact CB-CG2 4.47Å |
| 686 | N | 82.1 | Confident | 63.4 | Low | 86 Ų | 86 | 77 Ų | 77 | 46% | 0.46 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.2 | 161.4 | -73 | -55.8 | 0 | 0 | 0 | 109.8 | T822 E823 | N686-T822 WeakPolarHBondContact O-CA 3.32Å; N686-E823 PolarHBondContact N-O 3.14Å; N686-E823 PolarHBondContact O-N 3.32Å |
| 687 | V | 84.6 | Confident | 63.6 | Low | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.012 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.3 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | V820 I821 T822 L886 Q887 I890 L905 | V687-V820 HydrophobicContact CG1-CG1 3.75Å; V687-I821 VanDerWaalsContact CA-O 3.31Å; V687-I821 WeakPolarHBondContact CA-O 3.38Å; V687-T822 HydrophobicContact CG2-CG2 3.87Å; V687-L886 HydrophobicContact CG1-CB 4.01Å; V687-L886 HydrophobicContact CG1-CD1 3.77Å; V687-Q887 WeakPolarHBondContact O-CG 3.22Å; V687-Q887 PolarHBondContact O-NE2 2.98Å; V687-I890 HydrophobicContact CB-CD1 3.76Å; V687-I890 HydrophobicContact CG2-CD1 3.35Å; V687-L905 HydrophobicContact CG1-CD2 4.04Å; V687-L905 HydrophobicContact CG2-CD1 4.26Å; V687-L905 HydrophobicContact CG2-CD2 3.94Å |
| 688 | Y | 87.5 | Confident | 63.4 | Low | 58 Ų | 58 | 76 Ų | 76 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 165.2 | 176.9 | 64 | -87.8 | 0 | 0 | 0 | 111.7 | R690 I821 E823 Q883 | Y688-R690 HydrophobicContact CD2-CB 4.41Å; Y688-R690 HydrophobicContact CE2-CB 4.16Å; Y688-R690 HydrophobicContact CE2-CG 4.5Å; Y688-I821 HydrophobicContact CD1-CB 4.46Å; Y688-I821 HydrophobicContact CD1-CG2 4.36Å; Y688-I821 HydrophobicContact CD2-CB 4.36Å; Y688-I821 HydrophobicContact CE1-CB 4.1Å; Y688-I821 HydrophobicContact CE1-CG2 3.62Å; Y688-I821 HydrophobicContact CE2-CB 3.99Å; Y688-I821 HydrophobicContact CE2-CD1 3.97Å; Y688-I821 HydrophobicContact CE2-CG1 4.49Å; Y688-I821 HydrophobicContact CE2-CG2 4.16Å; Y688-I821 PolarHBondContact N-O 2.88Å; Y688-I821 VanDerWaalsContact N-O 3.08Å; Y688-I821 PolarHBondContact O-N 3.47Å; Y688-E823 HydrophobicContact CE1-CG 4.07Å; Y688-E823 VanDerWaalsContact CE1-OE1 3.24Å; Y688-E823 WeakPolarHBondContact CE1-OE1 3.49Å; Y688-E823 PolarHBondContact OH-OE1 2.97Å; Y688-Q883 VanDerWaalsContact CB-OE1 3.24Å |
| 689 | I | 84.8 | Confident | 62.6 | Low | 15 Ų | 15 | 74.6 Ų | 74.6 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 107.5 | -176.7 | -61.3 | -177.6 | 0 | 0 | 0 | 109.4 | G691 F818 N819 F843 F882 Q883 | I689-G691 PolarHBondContact O-N 3.47Å; I689-F818 HydrophobicContact CG2-CB 4.05Å; I689-F818 HydrophobicContact CG2-CD1 3.95Å; I689-F818 HydrophobicContact CG2-CG 4.5Å; I689-N819 CarbonylContact C-O 3.57Å; I689-N819 WeakPolarHBondContact CA-O 3.45Å; I689-F843 HydrophobicContact CD1-CE1 4.13Å; I689-F843 HydrophobicContact CD1-CZ 4.19Å; I689-F882 HydrophobicContact CD1-CB 3.59Å; I689-Q883 HydrophobicContact CD1-CB 4.26Å; I689-Q883 HydrophobicContact CG1-CB 4.24Å |
| 690 | R | 77.3 | Confident | 61.9 | Low | 164 Ų | 164 | 75 Ų | 75 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 59.5 | -175.7 | -161.4 | 170.2 | -178 | 155.9 | -4.4 | 111.5 | Y688 N819 I821 | Y688-R690 HydrophobicContact CD2-CB 4.41Å; Y688-R690 HydrophobicContact CE2-CB 4.16Å; Y688-R690 HydrophobicContact CE2-CG 4.5Å; R690-N819 HydrophobicContact CB-CB 4.36Å; R690-N819 PolarHBondContact N-O 3.16Å; R690-N819 WeakPolarHBondContact O-CB 3.25Å; R690-N819 PolarHBondContact O-ND2 3.09Å; R690-I821 HydrophobicContact CB-CD1 3.7Å; R690-I821 HydrophobicContact CB-CG1 4.42Å; R690-I821 VanDerWaalsContact CD-CD1 3.47Å; R690-I821 HydrophobicContact CG-CD1 4.24Å |
| 691 | G | 78.6 | Confident | 60.7 | Low | 30 Ų | 30 | 76.4 Ų | 76.4 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.3 | -163.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I689 N819 | I689-G691 PolarHBondContact O-N 3.47Å; G691-N819 PolarHBondContact O-N 2.94Å; G691-N819 PolarHBondContact O-ND2 3.22Å |
| 692 | L | 77.6 | Confident | 59 | Low | 32 Ų | 32 | 80.9 Ų | 80.9 | 17% | 0.168 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 153.6 | 180 | -62.6 | 174.2 | 0 | 0 | 0 | 112.2 | F816 M817 F818 N819 M872 L875 E876 | L692-F816 HydrophobicContact CB-CB 4.36Å; L692-F816 HydrophobicContact CB-CD1 4.42Å; L692-F816 HydrophobicContact CD1-CB 4.21Å; L692-F816 HydrophobicContact CD2-CB 4.45Å; L692-M817 CarbonylContact C-O 3.56Å; L692-M817 VanDerWaalsContact CA-O 3.28Å; L692-M817 WeakPolarHBondContact CA-O 3.45Å; L692-F818 HydrophobicContact CD2-CD1 3.63Å; L692-F818 HydrophobicContact CD2-CD2 4.37Å; L692-F818 HydrophobicContact CD2-CE1 3.71Å; L692-F818 HydrophobicContact CD2-CE2 4.42Å; L692-F818 HydrophobicContact CD2-CG 4Å; L692-F818 HydrophobicContact CD2-CZ 4.1Å; L692-N819 PolarHBondContact O-ND2 3.26Å; L692-M872 HydrophobicContact CD1-CG 4.39Å; L692-L875 HydrophobicContact CD1-CB 3.65Å; L692-L875 HydrophobicContact CD1-CD1 4.5Å; L692-L875 HydrophobicContact CD2-CB 4.16Å; L692-E876 HydrophobicContact CD1-CG 3.67Å; L692-E876 HydrophobicContact CG-CG 4.29Å |
| 693 | S | 73.7 | Confident | 56.9 | Low | 30 Ų | 30 | 86.9 Ų | 86.9 | 21% | 0.21 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 157.4 | 167.2 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | F816 M817 N819 | S693-F816 CarbonylContact O-C 3.53Å; S693-F816 VanDerWaalsContact O-CA 3.29Å; S693-F816 WeakPolarHBondContact O-CA 3.25Å; S693-M817 PolarHBondContact N-O 2.86Å; S693-M817 PolarHBondContact O-N 2.95Å; S693-M817 PolarHBondContact OG-O 3.04Å; S693-N819 VanDerWaalsContact CB-OD1 3.27Å; S693-N819 WeakPolarHBondContact CB-OD1 3.25Å; S693-N819 PolarHBondContact OG-OD1 3.07Å |
| 694 | R | 58.6 | Low | 55.1 | Low | 151 Ų | 151 | 95.7 Ų | 95.7 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 153.9 | 163 | -77.7 | -177.2 | 170.9 | 169.6 | -2.2 | 109.3 | E696 T814 F816 | R694-E696 PolarHBondContact O-N 3.48Å; R694-T814 PolarHBondContact NE-OG1 2.89Å; R694-F816 HydrophobicContact CG-CD1 3.85Å; R694-F816 HydrophobicContact CG-CE1 3.8Å |
| 695 | P | 54.3 | Low | 53.2 | Low | 52 Ų | 52 | 99 Ų | 99 | 34% | 0.338 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 130.3 | 168.8 | -14.4 | 28.7 | 0 | 0 | 0 | 109.4 | V697 Q815 M817 | P695-V697 PolarHBondContact O-N 2.92Å; P695-Q815 WeakPolarHBondContact CD-O 3.41Å; P695-M817 HydrophobicContact CB-CE 3.98Å; P695-M817 HydrophobicContact CG-CE 3.97Å; P695-M817 HydrophobicContact CG-SD 4.41Å |
| 696 | E | 41.3 | Very low | 51 | Low | 177 Ų | 177 | 104.5 Ų | 104.5 | 83% | 0.827 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 129.2 | 166.3 | -77.5 | 179.4 | 119.4 | 0 | 0 | 109 | R694 V698 | R694-E696 PolarHBondContact O-N 3.48Å; E696-V698 VanDerWaalsContact C-N 3.35Å; E696-V698 PolarHBondContact O-N 2.82Å |
| 697 | V | 30.4 | Very low | 48.3 | Very low | 105 Ų | 105 | 109 Ų | 109 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | trans | -76.3 | 94 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 106.6 | P695 S699 L812 | P695-V697 PolarHBondContact O-N 2.92Å; V697-S699 PolarHBondContact O-N 3.27Å; V697-L812 HydrophobicContact CG2-CD2 4.16Å | ||
| 698 | V | 27.6 | Very low | 45.6 | Very low | 102 Ų | 102 | 112.2 Ų | 112.2 | 62% | 0.618 | 60% | 0.598 | S | S | * | * | trans | -74.1 | 73.1 | 174.8 | -173 | 0 | 0 | 0 | 0 | 109.1 | E696 Q700 | E696-V698 VanDerWaalsContact C-N 3.35Å; E696-V698 PolarHBondContact O-N 2.82Å; V698-Q700 HydrophobicContact CG1-CB 4.07Å; V698-Q700 HydrophobicContact CG1-CG 3.67Å; V698-Q700 PolarHBondContact O-N 2.66Å | ||
| 699 | S | 23.4 | Very low | 42.7 | Very low | 93 Ų | 93 | 116.8 Ų | 116.8 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | trans | -75.6 | 65.9 | 164.8 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | V697 S701 | V697-S699 PolarHBondContact O-N 3.27Å; S699-S701 PolarHBondContact O-N 3.17Å | ||
| 700 | Q | 27.1 | Very low | 39.8 | Very low | 176 Ų | 176 | 123 Ų | 123 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | trans | -77.4 | 71.7 | 169.9 | -84.2 | -179.6 | -9.6 | 0 | 0 | 110 | V698 | V698-Q700 HydrophobicContact CG1-CB 4.07Å; V698-Q700 HydrophobicContact CG1-CG 3.67Å; V698-Q700 PolarHBondContact O-N 2.66Å | ||
| 701 | S | 26.8 | Very low | 37.3 | Very low | 96 Ų | 96 | 120.7 Ų | 120.7 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | trans | -54.7 | 154.4 | 154.1 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | S699 T703 | S699-S701 PolarHBondContact O-N 3.17Å; S701-T703 PolarHBondContact O-N 2.8Å; S701-T703 VanDerWaalsContact O-N 3.17Å | ||
| 702 | N | 24 | Very low | 34.7 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -39.8 | 117.6 | 169.1 | -61.7 | -30.3 | 0 | 0 | 0 | 112.9 | ||
| 703 | T | 26.6 | Very low | 32.3 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -177.8 | 139.8 | 132.6 | 19.9 | 0 | 0 | 0 | 0 | 114.6 | S701 | S701-T703 PolarHBondContact O-N 2.8Å; S701-T703 VanDerWaalsContact O-N 3.17Å | ||
| 704 | R | 25.9 | Very low | 30 | Very low | 233 Ų | 233 | 132.1 Ų | 132.1 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | 22.9 | 121.9 | 147.7 | -68.2 | 178.4 | 170.9 | 165.2 | -3 | 120.9 | ||||
| 705 | H | 29.8 | Very low | 28.6 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | trans | 6.3 | 143.5 | 142.7 | -83.9 | -93.5 | 0 | 0 | 0 | 121.4 | ||||
| 706 | P | 28.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | -69.3 | 155.4 | 169.9 | 32.2 | -36 | 0 | 0 | 0 | 113.4 | ||||
| 707 | L | 25.7 | Very low | 27.3 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 95% | 0.953 | 75% | 0.75 | S | S | * | * | trans | -59.4 | 143.6 | -175 | -71.8 | 140.3 | 0 | 0 | 0 | 114.9 | ||||
| 708 | G | 27.5 | Very low | 27.4 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -149.1 | 87.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 709 | I | 26.6 | Very low | 27.4 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 72.4 | 98.7 | 149.2 | -58.5 | 175.5 | 0 | 0 | 0 | 118.4 | ||||
| 710 | I | 25.1 | Very low | 27.4 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 77.9 | 145.3 | 134.9 | -60.9 | 178 | 0 | 0 | 0 | 120.9 | ||||
| 711 | T | 25 | Very low | 27.4 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 95.7 | 165.4 | 35.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 712 | T | 24.3 | Very low | 27.3 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | 59.6 | 131.2 | 121.9 | 55.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 713 | S | 25.3 | Very low | 27.4 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 75.5 | 147.5 | 141.2 | 77.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 714 | T | 26.5 | Very low | 27.4 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | cis | -166.1 | 151.9 | -18.1 | 18.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 715 | N | 29 | Very low | 27.5 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 65.5 | 160.3 | 158.3 | -54.1 | -15.8 | 0 | 0 | 0 | 117.6 | ||||
| 716 | N | 27.9 | Very low | 27.2 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | cis | -159.7 | 149.6 | -34.7 | -98.1 | -19.3 | 0 | 0 | 0 | 108.7 | ||||
| 717 | P | 40.6 | Very low | 27.2 | Very low | 113 Ų | 113 | 122 Ų | 122 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -97.8 | 154.7 | 173 | 37.5 | -33.5 | 0 | 0 | 0 | 113.6 | ||||
| 718 | P | 32.2 | Very low | 27.2 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -113.4 | 135 | 149.4 | -1.7 | 23.7 | 0 | 0 | 0 | 110.9 | ||||
| 719 | M | 27 | Very low | 27.2 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | 74.9 | 119.9 | 70.2 | -63.3 | -76.4 | 125.3 | 0 | 0 | 112.2 | |||||
| 720 | L | 24.6 | Very low | 27.2 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | 61.7 | 132.4 | 73.4 | -78.5 | 148.9 | 0 | 0 | 0 | 111.3 | |||||
| 721 | S | 26.1 | Very low | 27.2 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | cis | -171.7 | 176.9 | 36.3 | 48 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 722 | S | 24.7 | Very low | 27.4 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 63.3 | 149 | 151 | 48.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 723 | S | 27.1 | Very low | 27.6 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | cis | -171.4 | 173.4 | -12.9 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 724 | T | 26.3 | Very low | 27.8 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 72.1 | 126.6 | 144 | 39.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 725 | T | 27 | Very low | 28 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | trans | 74.3 | 118.4 | 134.2 | 54.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 726 | L | 24.7 | Very low | 28.1 | Very low | 173 Ų | 173 | 127.7 Ų | 127.7 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | 66.1 | 149 | 124.7 | -63.3 | 167.2 | 0 | 0 | 0 | 122.1 | |||||
| 727 | G | 27.7 | Very low | 28.2 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | 97.7 | 100.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 728 | M | 25.7 | Very low | 28 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | 69.8 | 135.1 | 71.6 | -92.4 | -165 | 165.9 | 0 | 0 | 117.4 | |||||
| 729 | T | 28.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | trans | 65.6 | 101.7 | 149.4 | 51.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 730 | N | 24.9 | Very low | 28.1 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 70.6 | 136.6 | 111.6 | -89.5 | 6.1 | 0 | 0 | 0 | 124.2 | |||||
| 731 | L | 25.5 | Very low | 28.1 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | trans | 82.7 | 130.9 | 139.9 | -68.5 | 162.2 | 0 | 0 | 0 | 121.8 | ||||
| 732 | H | 28.9 | Very low | 28.3 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | trans | 63.5 | 133.8 | 152.3 | -76.7 | 70.8 | 0 | 0 | 0 | 118.2 | ||||
| 733 | S | 30.3 | Very low | 28.3 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | cis | 178.1 | 161.1 | 17.3 | 44.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 734 | N | 28 | Very low | 28.5 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 73.4 | 124.7 | 150.3 | -66.4 | -6.8 | 0 | 0 | 0 | 123.3 | ||||
| 735 | Q | 31.9 | Very low | 28.4 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 72.4 | 137.3 | 143.2 | -65 | 173.9 | -4.1 | 0 | 0 | 118.2 | ||||
| 736 | T | 29.9 | Very low | 28.5 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -150.7 | 151.7 | -1.1 | 8.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 737 | H | 31.2 | Very low | 28.6 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | trans | 10.6 | 122.6 | 165.5 | -55 | -76.8 | 0 | 0 | 0 | 121.7 | ||||
| 738 | H | 34.9 | Very low | 28.5 | Very low | 191 Ų | 191 | 142 Ų | 142 | 88% | 0.884 | 77% | 0.766 | S | S | * | * | -162.8 | 145.7 | 100.8 | -93.2 | -76.2 | 0 | 0 | 0 | 109.3 | |||||
| 739 | L | 29 | Very low | 28.6 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -149.2 | 167 | -162.3 | -93 | 95.1 | 0 | 0 | 0 | 111.4 | ||||
| 740 | P | 32.4 | Very low | 28.5 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | cis | -142 | -176.2 | -34.4 | 39.6 | -22.4 | 0 | 0 | 0 | 114 | ||||
| 741 | A | 25.5 | Very low | 28.7 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -136.6 | 155 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 742 | S | 30.5 | Very low | 28.9 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -178.5 | 164.2 | 156.1 | 32.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 743 | M | 25.3 | Very low | 28.9 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | -119.9 | 175.7 | 177.8 | -62.3 | 167.8 | 71.2 | 0 | 0 | 110.7 | ||||
| 744 | N | 30 | Very low | 28.9 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | 92.6 | 146.8 | 161 | -66 | -18.7 | 0 | 0 | 0 | 119.2 | ||||
| 745 | M | 25.4 | Very low | 28.9 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -98.6 | 149.2 | -173.7 | -48.3 | -150.9 | -63.8 | 0 | 0 | 110.7 | ||||
| 746 | N | 27.6 | Very low | 28.9 | Very low | 127 Ų | 127 | 134 Ų | 134 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | 173.9 | 144.2 | 103.5 | -99.5 | -23.3 | 0 | 0 | 0 | 114.9 | |||||
| 747 | I | 26.6 | Very low | 29.1 | Very low | 142 Ų | 142 | 134 Ų | 134 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | trans | 76.4 | 127.4 | 136.8 | -69.6 | 168.3 | 0 | 0 | 0 | 120.7 | ||||
| 748 | L | 27.1 | Very low | 29.2 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | 77.9 | 109.8 | 155.6 | -111.8 | 69.4 | 0 | 0 | 0 | 123.1 | ||||
| 749 | S | 26.9 | Very low | 28.8 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 57% | 0.573 | 75% | 0.746 | S | S | * | * | 64 | 114.1 | 126.6 | 63.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 750 | N | 27.5 | Very low | 28.8 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | 54.5 | 130.2 | 126.5 | -50.6 | -1.4 | 0 | 0 | 0 | 119.9 | |||||
| 751 | T | 29.1 | Very low | 28.6 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | 164.6 | 116.8 | 98.6 | -66 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 752 | I | 29.5 | Very low | 28.7 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | 74.1 | 116.9 | 149.7 | -75.8 | 172.2 | 0 | 0 | 0 | 121.3 | ||||
| 753 | N | 28.3 | Very low | 28.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 69 | 145.3 | 139.5 | -64.2 | 12.6 | 0 | 0 | 0 | 121.9 | ||||
| 754 | T | 29.5 | Very low | 28.7 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | cis | -164.3 | 148.4 | -11.5 | 18.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 755 | T | 29.5 | Very low | 28.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | 52.9 | 136.2 | 149.6 | 57.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 756 | T | 31.7 | Very low | 28.8 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | cis | -172.8 | 169.9 | 0.6 | 18.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 757 | T | 32.7 | Very low | 28.7 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.693 | 73% | 0.732 | S | S | * | * | cis | -157.7 | 168.8 | 9.5 | -4.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 758 | T | 33.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | 45.1 | 126.1 | 149.4 | 55.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 759 | T | 27 | Very low | 28.8 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | cis | -166.1 | 120.2 | -14.2 | -1.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 760 | T | 28.9 | Very low | 28.8 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 82% | 0.816 | 72% | 0.719 | S | S | * | * | trans | -158.2 | 127 | 167.3 | -3.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 761 | T | 28 | Very low | 28.8 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | 45.4 | 132.5 | 149.3 | 49.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 762 | T | 28.4 | Very low | 28.9 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | trans | 79.2 | 107.9 | 142.1 | 45.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 763 | T | 28.2 | Very low | 28.8 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | 65.4 | 126.4 | 133.7 | 59.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 764 | M | 28.7 | Very low | 28.8 | Very low | 159 Ų | 159 | 114.6 Ų | 114.6 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | -162.9 | 114.4 | 112.3 | -98.2 | -56.1 | 164.5 | 0 | 0 | 113.3 | |||||
| 765 | T | 29.5 | Very low | 28.8 | Very low | 110 Ų | 110 | 116 Ų | 116 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | trans | 31.7 | 132.8 | 140.5 | 58 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 766 | T | 26.8 | Very low | 29 | Very low | 138 Ų | 138 | 121 Ų | 121 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | -125.8 | 146.2 | 122.6 | 47.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 767 | P | 26.8 | Very low | 29.2 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -123.5 | 132.2 | -170.7 | 37.9 | -23.9 | 0 | 0 | 0 | 116.1 | ||||
| 768 | I | 28.1 | Very low | 29.5 | Very low | 153 Ų | 153 | 121.2 Ų | 121.2 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -133.9 | 120.1 | 161.5 | -70.9 | 89.6 | 0 | 0 | 0 | 112.9 | ||||
| 769 | S | 25.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | trans | -3.7 | 128.2 | 154.8 | -51.4 | 0 | 0 | 0 | 0 | 123.8 | F171 | F171-S769 VanDerWaalsContact CE2-O 3.27Å; F171-S769 WeakPolarHBondContact CE2-O 3.34Å | ||
| 770 | S | 28.2 | Very low | 30 | Very low | 47 Ų | 47 | 122.9 Ų | 122.9 | 33% | 0.329 | 71% | 0.706 | S | S | . | * | 167.6 | 119.3 | 120.9 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | F171 K173 | F171-S770 WeakPolarHBondContact CD1-OG 3.46Å; F171-S770 WeakPolarHBondContact CD2-OG 3.24Å; F171-S770 VanDerWaalsContact CE1-OG 3.3Å; F171-S770 WeakPolarHBondContact CE1-OG 3.2Å; F171-S770 WeakPolarHBondContact CE2-OG 3.32Å; F171-S770 WeakPolarHBondContact CG-OG 3.42Å; F171-S770 WeakPolarHBondContact CZ-OG 3.43Å; K173-S770 PolarHBondContact NZ-O 3.38Å; K173-S770 PolarHBondContact NZ-OG 2.88Å | |||
| 771 | S | 27.8 | Very low | 30.3 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | 51.4 | 145.2 | 79.6 | 80.7 | 0 | 0 | 0 | 0 | 114.9 | K173 | K173-S771 PolarHBondContact NZ-O 3.14Š| |||
| 772 | T | 29.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | cis | -118.8 | 175.2 | -14.6 | 51.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 773 | T | 28.1 | Very low | 31.5 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | cis | -154 | 116.6 | 36.9 | 45.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 774 | A | 28.6 | Very low | 32.2 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 66% | 0.661 | 67% | 0.674 | S | S | * | * | trans | -162.1 | 82.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 775 | V | 29 | Very low | 32.8 | Very low | 135 Ų | 135 | 119.3 Ų | 119.3 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | -131 | 44.5 | -163.1 | -157.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 776 | R | 33.4 | Very low | 33.4 | Very low | 225 Ų | 225 | 118.7 Ų | 118.7 | 85% | 0.849 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -133.5 | -49.4 | 168.3 | -68.3 | -168.6 | 179.2 | 117.6 | 3.4 | 114.6 | ||
| 777 | D | 36.1 | Very low | 34 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.7 | -20.5 | -169.5 | -58.7 | -61.7 | 0 | 0 | 0 | 116.3 | S779 Y780 R781 | D777-S779 PolarHBondContact O-N 2.84Å; D777-Y780 PolarHBondContact O-N 3.23Å; D777-R781 PolarHBondContact O-N 2.86Å |
| 778 | I | 39.6 | Very low | 34.6 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.2 | -32.4 | -175 | -66.8 | 172.2 | 0 | 0 | 0 | 112 | N782 | I778-N782 WeakPolarHBondContact O-CB 3.08Å; I778-N782 VanDerWaalsContact O-CG 3.32Å; I778-N782 PolarHBondContact O-N 2.84Å |
| 779 | S | 36.5 | Very low | 35.1 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 67% | 0.671 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66 | -41.8 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | D777 N782 K783 | D777-S779 PolarHBondContact O-N 2.84Å; S779-N782 PolarHBondContact O-N 3.43Å; S779-K783 WeakPolarHBondContact O-CB 3.18Å; S779-K783 PolarHBondContact O-N 3.25Å |
| 780 | Y | 34.5 | Very low | 36.1 | Very low | 181 Ų | 181 | 116.1 Ų | 116.1 | 71% | 0.71 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.2 | -42.2 | 178.2 | -117 | -88.1 | 0 | 0 | 0 | 112.3 | D777 K783 I784 | D777-Y780 PolarHBondContact O-N 3.23Å; Y780-K783 PolarHBondContact O-N 3.48Å; Y780-I784 HydrophobicContact CD1-CD1 4.18Å; Y780-I784 WeakPolarHBondContact O-CG1 3.37Å; Y780-I784 PolarHBondContact O-N 3.48Å; Y780-I784 VanDerWaalsContact O-N 3.08Å |
| 781 | R | 34.2 | Very low | 36.4 | Very low | 202 Ų | 202 | 120.7 Ų | 120.7 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.7 | -42.9 | 173.9 | -89.7 | -169 | 172.4 | -164.5 | -0.7 | 112.5 | D777 K783 I784 S785 | D777-R781 PolarHBondContact O-N 2.86Å; R781-K783 PolarHBondContact O-N 3.39Å; R781-I784 PolarHBondContact O-N 3.16Å; R781-S785 VanDerWaalsContact O-CB 3.28Å; R781-S785 WeakPolarHBondContact O-CB 3.44Å; R781-S785 PolarHBondContact O-N 3.34Å |
| 782 | N | 38.4 | Very low | 36.8 | Very low | 90 Ų | 90 | 122 Ų | 122 | 48% | 0.481 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.8 | -31.5 | -180 | -71.2 | 3.8 | 0 | 0 | 0 | 112.3 | I778 S779 N786 | I778-N782 WeakPolarHBondContact O-CB 3.08Å; I778-N782 VanDerWaalsContact O-CG 3.32Å; I778-N782 PolarHBondContact O-N 2.84Å; S779-N782 PolarHBondContact O-N 3.43Å; N782-N786 WeakPolarHBondContact O-CB 3.28Å; N782-N786 VanDerWaalsContact O-CG 3.25Å; N782-N786 PolarHBondContact O-N 3.32Å; N782-N786 PolarHBondContact O-OD1 3.43Å |
| 783 | K | 42.8 | Very low | 36.8 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 59% | 0.591 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.7 | -46.3 | 173 | -165.3 | 172.8 | -176.3 | -179.4 | 0 | 111.9 | S779 Y780 R781 S785 N786 E787 | S779-K783 WeakPolarHBondContact O-CB 3.18Å; S779-K783 PolarHBondContact O-N 3.25Å; Y780-K783 PolarHBondContact O-N 3.48Å; R781-K783 PolarHBondContact O-N 3.39Å; K783-S785 VanDerWaalsContact C-N 3.34Å; K783-S785 PolarHBondContact O-N 3.28Å; K783-N786 PolarHBondContact O-N 2.97Å; K783-E787 PolarHBondContact O-N 2.95Å |
| 784 | I | 44.9 | Very low | 36.9 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 48% | 0.482 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.1 | -38.5 | 175.6 | -67.4 | 169.8 | 0 | 0 | 0 | 111.1 | Y780 R781 L788 | Y780-I784 HydrophobicContact CD1-CD1 4.18Å; Y780-I784 WeakPolarHBondContact O-CG1 3.37Å; Y780-I784 PolarHBondContact O-N 3.48Å; Y780-I784 VanDerWaalsContact O-N 3.08Å; R781-I784 PolarHBondContact O-N 3.16Å; I784-L788 HydrophobicContact CG2-CD1 3.96Å; I784-L788 WeakPolarHBondContact O-CB 3.43Å; I784-L788 WeakPolarHBondContact O-CG 3.28Å; I784-L788 PolarHBondContact O-N 3.11Å |
| 785 | S | 39.9 | Very low | 37.2 | Very low | 49 Ų | 49 | 126.2 Ų | 126.2 | 34% | 0.343 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.9 | -38.6 | 176.4 | -169 | 0 | 0 | 0 | 0 | 112.3 | R781 K783 N789 | R781-S785 VanDerWaalsContact O-CB 3.28Å; R781-S785 WeakPolarHBondContact O-CB 3.44Å; R781-S785 PolarHBondContact O-N 3.34Å; K783-S785 VanDerWaalsContact C-N 3.34Å; K783-S785 PolarHBondContact O-N 3.28Å; S785-N789 VanDerWaalsContact O-CB 3.25Å; S785-N789 WeakPolarHBondContact O-CB 3.21Å; S785-N789 PolarHBondContact O-N 2.82Å; S785-N789 PolarHBondContact O-ND2 2.94Å; S785-N789 PolarHBondContact OG-ND2 3.25Å |
| 786 | N | 41.6 | Very low | 37.3 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72 | -37.5 | 177.8 | -73.9 | -0.9 | 0 | 0 | 0 | 111.7 | N782 K783 N790 | N782-N786 WeakPolarHBondContact O-CB 3.28Å; N782-N786 VanDerWaalsContact O-CG 3.25Å; N782-N786 PolarHBondContact O-N 3.32Å; N782-N786 PolarHBondContact O-OD1 3.43Å; K783-N786 PolarHBondContact O-N 2.97Å; N786-N790 VanDerWaalsContact O-CB 3.3Å; N786-N790 WeakPolarHBondContact O-CB 3.22Å; N786-N790 PolarHBondContact O-N 3.07Å; N786-N790 PolarHBondContact O-ND2 2.91Å |
| 787 | E | 40.2 | Very low | 37 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.1 | -33.5 | 173.5 | -73.2 | -178.4 | -149.7 | 0 | 0 | 112.5 | K783 L791 | K783-E787 PolarHBondContact O-N 2.95Å; E787-L791 WeakPolarHBondContact O-CG 3.39Å |
| 788 | L | 38.4 | Very low | 36.7 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -71.9 | -41.2 | 171.5 | -78.8 | 168.6 | 0 | 0 | 0 | 113.2 | I784 N790 L791 I792 | I784-L788 HydrophobicContact CG2-CD1 3.96Å; I784-L788 WeakPolarHBondContact O-CB 3.43Å; I784-L788 WeakPolarHBondContact O-CG 3.28Å; I784-L788 PolarHBondContact O-N 3.11Å; L788-N790 VanDerWaalsContact C-N 3.31Å; L788-N790 PolarHBondContact O-N 2.84Å; L788-L791 WeakPolarHBondContact O-CB 3.29Å; L788-L791 PolarHBondContact O-N 3.22Å; L788-L791 VanDerWaalsContact O-N 3.08Å; L788-I792 WeakPolarHBondContact O-CG1 3.4Å |
| 789 | N | 39.6 | Very low | 36.1 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 50% | 0.503 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.5 | -31 | 178.5 | -71.4 | -23.2 | 0 | 0 | 0 | 112 | S785 L791 I792 | S785-N789 VanDerWaalsContact O-CB 3.25Å; S785-N789 WeakPolarHBondContact O-CB 3.21Å; S785-N789 PolarHBondContact O-N 2.82Å; S785-N789 PolarHBondContact O-ND2 2.94Å; S785-N789 PolarHBondContact OG-ND2 3.25Å; N789-L791 PolarHBondContact O-N 2.65Å; N789-I792 PolarHBondContact O-N 3.04Å |
| 790 | N | 46 | Very low | 35.8 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -9 | 171.5 | -74.1 | -12 | 0 | 0 | 0 | 113.9 | N786 L788 | N786-N790 VanDerWaalsContact O-CB 3.3Å; N786-N790 WeakPolarHBondContact O-CB 3.22Å; N786-N790 PolarHBondContact O-N 3.07Å; N786-N790 PolarHBondContact O-ND2 2.91Å; L788-N790 VanDerWaalsContact C-N 3.31Å; L788-N790 PolarHBondContact O-N 2.84Å |
| 791 | L | 36.4 | Very low | 35.5 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -3.8 | 175.7 | -72 | 167 | 0 | 0 | 0 | 113.6 | E787 L788 N789 | E787-L791 WeakPolarHBondContact O-CG 3.39Å; L788-L791 WeakPolarHBondContact O-CB 3.29Å; L788-L791 PolarHBondContact O-N 3.22Å; L788-L791 VanDerWaalsContact O-N 3.08Å; N789-L791 PolarHBondContact O-N 2.65Å |
| 792 | I | 35 | Very low | 35.3 | Very low | 120 Ų | 120 | 121 Ų | 121 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -135.3 | 56.8 | -170.2 | -45.1 | 175.3 | 0 | 0 | 0 | 111.4 | L788 N789 | L788-I792 WeakPolarHBondContact O-CG1 3.4Å; N789-I792 PolarHBondContact O-N 3.04Å |
| 793 | N | 30.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 81% | 0.813 | 68% | 0.677 | S | S | * | * | trans | -164.3 | 102.4 | 163.8 | -101.9 | -40.6 | 0 | 0 | 0 | 113.3 | ||||
| 794 | P | 29.5 | Very low | 34.4 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | trans | -100.1 | 117.5 | 170.4 | 33.8 | -27.1 | 0 | 0 | 0 | 112.4 | ||||
| 795 | S | 34.1 | Very low | 33.6 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -115.5 | 116 | 166.2 | 41.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 796 | V | 31.8 | Very low | 32.8 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | 81.3 | 101.1 | 77.7 | 168 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 797 | Y | 27.1 | Very low | 32 | Very low | 207 Ų | 207 | 124.2 Ų | 124.2 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | 58.9 | 138.6 | 161.1 | -75.3 | -117.7 | 0 | 0 | 0 | 116.8 | ||||
| 798 | N | 29.9 | Very low | 31.4 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | cis | -161 | 171.9 | 38.1 | -134.1 | -35.3 | 0 | 0 | 0 | 113.8 | ||||
| 799 | N | 26 | Very low | 30.8 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | -50.6 | 149.1 | -176.1 | -53.6 | -56.2 | 0 | 0 | 0 | 117.4 | ||||
| 800 | S | 30.2 | Very low | 30.1 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | 170.3 | 133.2 | 97.1 | 50.8 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 801 | V | 28.5 | Very low | 29.3 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | 81.5 | 130.6 | 129.7 | 167.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 802 | V | 30.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 127 Ų | 127 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 74.8 | 141.5 | 173.8 | -152.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 803 | S | 33.4 | Very low | 28.5 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | 98.3 | 104.4 | 166.5 | -49.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 804 | S | 28.1 | Very low | 29 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | trans | -93 | 152.6 | -165.3 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 805 | S | 28.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | 62.2 | 137.4 | 153 | 59.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 806 | S | 24.4 | Very low | 32.4 | Very low | 98 Ų | 98 | 115.6 Ų | 115.6 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | cis | -167.7 | 130.6 | -16.5 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 807 | S | 24.1 | Very low | 34.7 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | trans | 66.4 | 164.7 | 156 | 81.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 808 | S | 27.1 | Very low | 37.5 | Very low | 91 Ų | 91 | 101 Ų | 101 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | trans | 86.8 | 120.6 | 146.5 | 82 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 809 | L | 25.5 | Very low | 40.2 | Very low | 163 Ų | 163 | 95.8 Ų | 95.8 | 85% | 0.853 | 58% | 0.579 | S | S | * | * | 76.5 | 155.4 | 129.3 | -93.6 | 69.2 | 0 | 0 | 0 | 118.9 | |||||
| 810 | P | 25.8 | Very low | 43.2 | Very low | 89 Ų | 89 | 89.2 Ų | 89.2 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | -136.7 | 170 | -116.1 | 40.8 | -22.9 | 0 | 0 | 0 | 115.3 | L812 | P810-L812 HydrophobicContact CB-CD1 4.14Å; P810-L812 HydrophobicContact CG-CD1 4.38Å | |||
| 811 | Q | 29.9 | Very low | 45.8 | Very low | 204 Ų | 204 | 84.2 Ų | 84.2 | 95% | 0.953 | 51% | 0.509 | S | S | * | . | trans | -118.3 | 65.2 | 155.2 | -72.5 | -164.4 | -12 | 0 | 0 | 112.2 | S813 | Q811-S813 PolarHBondContact O-N 3.47Š| ||
| 812 | L | 25 | Very low | 48.5 | Very low | 104 Ų | 104 | 77.9 Ų | 77.9 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | trans | -55.8 | 128.5 | 138.8 | -85.2 | 72.7 | 0 | 0 | 0 | 107 | V697 P810 T814 | V697-L812 HydrophobicContact CG2-CD2 4.16Å; P810-L812 HydrophobicContact CB-CD1 4.14Å; P810-L812 HydrophobicContact CG-CD1 4.38Å; L812-T814 HydrophobicContact CB-CG2 3.93Å; L812-T814 HydrophobicContact CD2-CG2 4.4Å; L812-T814 PolarHBondContact O-N 3.01Å | ||
| 813 | S | 29.7 | Very low | 51.1 | Low | 96 Ų | 96 | 73 Ų | 73 | 67% | 0.671 | 44% | 0.439 | S | S | * | . | trans | -66.8 | 72.3 | 163.9 | 162.7 | 0 | 0 | 0 | 0 | 109.6 | Q811 Q815 | Q811-S813 PolarHBondContact O-N 3.47Å; S813-Q815 PolarHBondContact O-N 3.23Å; S813-Q815 WeakPolarHBondContact OG-CG 3.49Å | ||
| 814 | T | 41 | Very low | 53.3 | Low | 39 Ų | 39 | 68.2 Ų | 68.2 | 24% | 0.239 | 40% | 0.404 | C | S | . | . | trans | -71.9 | 74.8 | 174.7 | 42.3 | 0 | 0 | 0 | 0 | 109.6 | R694 L812 F816 | R694-T814 PolarHBondContact NE-OG1 2.89Å; L812-T814 HydrophobicContact CB-CG2 3.93Å; L812-T814 HydrophobicContact CD2-CG2 4.4Å; L812-T814 PolarHBondContact O-N 3.01Å; T814-F816 PolarHBondContact O-N 3.42Å | ||
| 815 | Q | 59.5 | Low | 55.6 | Low | 91 Ų | 91 | 67.1 Ų | 67.1 | 43% | 0.425 | 39% | 0.389 | S | S | . | . | trans | -59.4 | 111.4 | 180 | -63.8 | -175.9 | 13.5 | 0 | 0 | 109.5 | P695 S813 | P695-Q815 WeakPolarHBondContact CD-O 3.41Å; S813-Q815 PolarHBondContact O-N 3.23Å; S813-Q815 WeakPolarHBondContact OG-CG 3.49Å | ||
| 816 | F | 74.2 | Confident | 57.5 | Low | 47 Ų | 47 | 65.2 Ų | 65.2 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | trans | -58.2 | 141.4 | 174.8 | -63.6 | -87.6 | 0 | 0 | 0 | 110.8 | L692 S693 R694 T814 M872 L875 | L692-F816 HydrophobicContact CB-CB 4.36Å; L692-F816 HydrophobicContact CB-CD1 4.42Å; L692-F816 HydrophobicContact CD1-CB 4.21Å; L692-F816 HydrophobicContact CD2-CB 4.45Å; S693-F816 CarbonylContact O-C 3.53Å; S693-F816 VanDerWaalsContact O-CA 3.29Å; S693-F816 WeakPolarHBondContact O-CA 3.25Å; R694-F816 HydrophobicContact CG-CD1 3.85Å; R694-F816 HydrophobicContact CG-CE1 3.8Å; T814-F816 PolarHBondContact O-N 3.42Å; F816-M872 HydrophobicContact CE1-SD 4.49Å; F816-M872 HydrophobicContact CE2-CB 4.26Å; F816-M872 HydrophobicContact CZ-CB 4.34Å; F816-M872 HydrophobicContact CZ-SD 4.36Å; F816-L875 HydrophobicContact CB-CD1 3.78Å; F816-L875 HydrophobicContact CD2-CD1 4.41Å | ||
| 817 | M | 81 | Confident | 59.3 | Low | 22 Ų | 22 | 68.2 Ų | 68.2 | 11% | 0.108 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.6 | -178.3 | -59.6 | -171.3 | -64.4 | 0 | 0 | 110 | L692 S693 P695 T837 R838 K839 | L692-M817 CarbonylContact C-O 3.56Å; L692-M817 VanDerWaalsContact CA-O 3.28Å; L692-M817 WeakPolarHBondContact CA-O 3.45Å; S693-M817 PolarHBondContact N-O 2.86Å; S693-M817 PolarHBondContact O-N 2.95Å; S693-M817 PolarHBondContact OG-O 3.04Å; P695-M817 HydrophobicContact CB-CE 3.98Å; P695-M817 HydrophobicContact CG-CE 3.97Å; P695-M817 HydrophobicContact CG-SD 4.41Å; M817-T837 HydrophobicContact CE-CG2 4.21Å; M817-R838 CarbonylContact C-O 3.52Å; M817-R838 WeakPolarHBondContact CA-O 3.43Å; M817-K839 HydrophobicContact CG-CG 4.08Å; M817-K839 HydrophobicContact SD-CG 4.1Å |
| 818 | F | 85.8 | Confident | 61.5 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 131 | 176.5 | -63.7 | -88.1 | 0 | 0 | 0 | 110.2 | I689 L692 V820 T837 R838 Y840 F843 L875 F882 | I689-F818 HydrophobicContact CG2-CB 4.05Å; I689-F818 HydrophobicContact CG2-CD1 3.95Å; I689-F818 HydrophobicContact CG2-CG 4.5Å; L692-F818 HydrophobicContact CD2-CD1 3.63Å; L692-F818 HydrophobicContact CD2-CD2 4.37Å; L692-F818 HydrophobicContact CD2-CE1 3.71Å; L692-F818 HydrophobicContact CD2-CE2 4.42Å; L692-F818 HydrophobicContact CD2-CG 4Å; L692-F818 HydrophobicContact CD2-CZ 4.1Å; F818-V820 PolarHBondContact O-N 3.08Å; F818-T837 WeakPolarHBondContact O-CA 3.46Å; F818-R838 PolarHBondContact N-O 2.58Å; F818-R838 PolarHBondContact O-N 3.26Å; F818-Y840 HydrophobicContact CE2-CD2 4.21Å; F818-Y840 HydrophobicContact CZ-CD2 4.4Å; F818-F843 HydrophobicContact CB-CE2 3.95Å; F818-F843 HydrophobicContact CB-CZ 3.91Å; F818-F843 HydrophobicContact CD2-CD2 4.32Å; F818-F843 AromaticContact CD2-CE2 3.58Å; F818-F843 HydrophobicContact CD2-CE2 3.58Å; F818-F843 HydrophobicContact CD2-CZ 4.27Å; F818-F843 HydrophobicContact CE2-CE2 4.36Å; F818-F843 AromaticContact CG-CE2 3.92Å; F818-F843 HydrophobicContact CG-CE2 3.92Å; F818-F843 HydrophobicContact CG-CZ 4.14Å; F818-L875 WeakPolarHBondContact CE1-O 3.41Å; F818-L875 HydrophobicContact CE2-CD2 4.12Å; F818-L875 HydrophobicContact CZ-CB 4.1Å; F818-L875 HydrophobicContact CZ-CD2 3.96Å; F818-F882 HydrophobicContact CD1-CD2 4.42Å; F818-F882 AromaticContact CE1-CD2 3.92Å; F818-F882 HydrophobicContact CE1-CD2 3.92Å; F818-F882 HydrophobicContact CE1-CE2 4.19Å; F818-F882 HydrophobicContact CE2-CD2 4.22Å; F818-F882 AromaticContact CE2-CE2 3.9Å; F818-F882 HydrophobicContact CE2-CE2 3.9Å; F818-F882 AromaticContact CZ-CD2 3.82Å; F818-F882 HydrophobicContact CZ-CD2 3.82Å; F818-F882 AromaticContact CZ-CE2 3.61Å; F818-F882 HydrophobicContact CZ-CE2 3.61Å |
| 819 | N | 87.3 | Confident | 63.6 | Low | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 86.6 | 175.9 | -60.6 | -41.5 | 0 | 0 | 0 | 110 | I689 R690 G691 L692 S693 | I689-N819 CarbonylContact C-O 3.57Å; I689-N819 WeakPolarHBondContact CA-O 3.45Å; R690-N819 HydrophobicContact CB-CB 4.36Å; R690-N819 PolarHBondContact N-O 3.16Å; R690-N819 WeakPolarHBondContact O-CB 3.25Å; R690-N819 PolarHBondContact O-ND2 3.09Å; G691-N819 PolarHBondContact O-N 2.94Å; G691-N819 PolarHBondContact O-ND2 3.22Å; L692-N819 PolarHBondContact O-ND2 3.26Å; S693-N819 VanDerWaalsContact CB-OD1 3.27Å; S693-N819 WeakPolarHBondContact CB-OD1 3.25Å; S693-N819 PolarHBondContact OG-OD1 3.07Å |
| 820 | V | 87.3 | Confident | 65.7 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.6 | 176 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | V687 F818 K835 V836 R838 F843 L886 L905 | V687-V820 HydrophobicContact CG1-CG1 3.75Å; F818-V820 PolarHBondContact O-N 3.08Å; V820-K835 WeakPolarHBondContact O-CA 3.31Å; V820-V836 PolarHBondContact N-O 2.87Å; V820-V836 PolarHBondContact O-N 3.26Å; V820-R838 HydrophobicContact CG2-CB 4.2Å; V820-R838 HydrophobicContact CG2-CG 3.98Å; V820-F843 HydrophobicContact CG2-CE1 4.46Å; V820-F843 HydrophobicContact CG2-CZ 3.93Å; V820-L886 HydrophobicContact CG1-CD1 3.87Å; V820-L886 HydrophobicContact CG2-CD1 4.37Å; V820-L905 HydrophobicContact CG1-CD2 4.02Å |
| 821 | I | 86 | Confident | 68.1 | Low | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.015 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.6 | 176.3 | -67.8 | -179.3 | 0 | 0 | 0 | 109.6 | V687 Y688 R690 E823 Q832 K835 | V687-I821 VanDerWaalsContact CA-O 3.31Å; V687-I821 WeakPolarHBondContact CA-O 3.38Å; Y688-I821 HydrophobicContact CD1-CB 4.46Å; Y688-I821 HydrophobicContact CD1-CG2 4.36Å; Y688-I821 HydrophobicContact CD2-CB 4.36Å; Y688-I821 HydrophobicContact CE1-CB 4.1Å; Y688-I821 HydrophobicContact CE1-CG2 3.62Å; Y688-I821 HydrophobicContact CE2-CB 3.99Å; Y688-I821 HydrophobicContact CE2-CD1 3.97Å; Y688-I821 HydrophobicContact CE2-CG1 4.49Å; Y688-I821 HydrophobicContact CE2-CG2 4.16Å; Y688-I821 PolarHBondContact N-O 2.88Å; Y688-I821 VanDerWaalsContact N-O 3.08Å; Y688-I821 PolarHBondContact O-N 3.47Å; R690-I821 HydrophobicContact CB-CD1 3.7Å; R690-I821 HydrophobicContact CB-CG1 4.42Å; R690-I821 VanDerWaalsContact CD-CD1 3.47Å; R690-I821 HydrophobicContact CG-CD1 4.24Å; I821-E823 HydrophobicContact CG2-CG 4.32Å; I821-Q832 HydrophobicContact CG2-CG 4.08Å; I821-Q832 VanDerWaalsContact CG2-NE2 3.33Å; I821-K835 HydrophobicContact CG1-CG 4.18Å |
| 822 | T | 85 | Confident | 70.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122.5 | 175.3 | -49.6 | 0 | 0 | 0 | 0 | 109 | C685 N686 V687 V833 A834 L905 M906 | C685-T822 HydrophobicContact CB-CG2 3.95Å; N686-T822 WeakPolarHBondContact O-CA 3.32Å; V687-T822 HydrophobicContact CG2-CG2 3.87Å; T822-V833 PolarHBondContact O-N 3.19Å; T822-A834 PolarHBondContact N-O 2.92Å; T822-A834 VanDerWaalsContact N-O 3.14Å; T822-A834 PolarHBondContact O-N 3.48Å; T822-L905 PolarHBondContact OG1-O 3.31Å; T822-M906 HydrophobicContact CG2-CE 3.85Å; T822-M906 HydrophobicContact CG2-SD 4.46Å |
| 823 | E | 85.1 | Confident | 73 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.5 | 175.3 | -80.8 | 177.4 | -159 | 0 | 0 | 110.9 | C685 N686 Y688 I821 R830 R831 Q832 | C685-E823 CarbonylContact C-O 3.58Å; C685-E823 WeakPolarHBondContact CA-O 3.31Å; N686-E823 PolarHBondContact N-O 3.14Å; N686-E823 PolarHBondContact O-N 3.32Å; Y688-E823 HydrophobicContact CE1-CG 4.07Å; Y688-E823 VanDerWaalsContact CE1-OE1 3.24Å; Y688-E823 WeakPolarHBondContact CE1-OE1 3.49Å; Y688-E823 PolarHBondContact OH-OE1 2.97Å; I821-E823 HydrophobicContact CG2-CG 4.32Å; E823-R830 WeakPolarHBondContact OE2-CD 3.28Å; E823-R831 CarbonylContact C-O 3.58Å; E823-R831 WeakPolarHBondContact CA-O 3.34Å; E823-Q832 HydrophobicContact CG-CB 4.37Å |
| 824 | M | 80 | Confident | 75.5 | Confident | 18 Ų | 18 | 61 Ų | 61 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147.5 | 167.6 | -70 | -89.2 | -74.7 | 0 | 0 | 109.4 | L680 Q684 C685 V826 R831 V833 | L680-M824 HydrophobicContact CD1-CE 4.21Å; Q684-M824 HydrophobicContact CB-CE 3.57Å; Q684-M824 HydrophobicContact CB-SD 3.46Å; Q684-M824 WeakPolarHBondContact CB-SD 3.37Å; Q684-M824 HydrophobicContact CG-CE 4.45Å; C685-M824 HydrophobicContact CB-SD 4.38Å; C685-M824 PolarHBondContact SG-SD 3.39Å; M824-V826 HydrophobicContact CB-CG2 4.22Å; M824-R831 PolarHBondContact N-O 3.37Å; M824-R831 PolarHBondContact O-N 3.42Å; M824-V833 HydrophobicContact CB-CG2 3.93Å; M824-V833 HydrophobicContact CG-CG2 3.29Å |
| 825 | I | 76.5 | Confident | 77.6 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.2 | 170.3 | -56 | 179.9 | 0 | 0 | 0 | 108.1 | R830 | I825-R830 HydrophobicContact CG1-CG 4.41Å |
| 826 | V | 66.4 | Low | 78.8 | Confident | 66 Ų | 66 | 60.9 Ų | 60.9 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.3 | 178.6 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | M824 G828 V829 | M824-V826 HydrophobicContact CB-CG2 4.22Å; V826-G828 PolarHBondContact O-N 2.92Å; V826-V829 PolarHBondContact N-O 2.86Å; V826-V829 WeakPolarHBondContact O-CB 3.35Å; V826-V829 PolarHBondContact O-N 2.84Å |
| 827 | N | 62.7 | Low | 79.3 | Confident | 160 Ų | 160 | 61 Ų | 61 | 86% | 0.856 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38 | -177.1 | -57.6 | -3.3 | 0 | 0 | 0 | 113.3 | V829 | N827-V829 PolarHBondContact O-N 3.29Š|
| 828 | G | 70.5 | Confident | 79.5 | Confident | 67 Ų | 67 | 60 Ų | 60 | 69% | 0.691 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | -13.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V826 | V826-G828 PolarHBondContact O-N 2.92Š|
| 829 | V | 70.7 | Confident | 79.4 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 127.9 | 177.1 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | V826 N827 R831 | V826-V829 PolarHBondContact N-O 2.86Å; V826-V829 WeakPolarHBondContact O-CB 3.35Å; V826-V829 PolarHBondContact O-N 2.84Å; N827-V829 PolarHBondContact O-N 3.29Å; V829-R831 PolarHBondContact O-N 3.08Å |
| 830 | R | 70.5 | Confident | 79.3 | Confident | 184 Ų | 184 | 62.4 Ų | 62.4 | 69% | 0.694 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 120.2 | 169.7 | -62.4 | -172.9 | -172.4 | -173.6 | 2.7 | 109.3 | E823 I825 | E823-R830 WeakPolarHBondContact OE2-CD 3.28Å; I825-R830 HydrophobicContact CG1-CG 4.41Å |
| 831 | R | 76.8 | Confident | 79 | Confident | 179 Ų | 179 | 64 Ų | 64 | 68% | 0.675 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 118.5 | 179 | -172.3 | 176.6 | -172.5 | 168.8 | 3.6 | 109.3 | E823 M824 V829 V833 | E823-R831 CarbonylContact C-O 3.58Å; E823-R831 WeakPolarHBondContact CA-O 3.34Å; M824-R831 PolarHBondContact N-O 3.37Å; M824-R831 PolarHBondContact O-N 3.42Å; V829-R831 PolarHBondContact O-N 3.08Å; R831-V833 PolarHBondContact O-N 2.77Å |
| 832 | Q | 79.1 | Confident | 78.9 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 124.5 | 170.8 | -174.8 | 166.9 | 20.2 | 0 | 0 | 109.7 | I821 E823 A834 | I821-Q832 HydrophobicContact CG2-CG 4.08Å; I821-Q832 VanDerWaalsContact CG2-NE2 3.33Å; E823-Q832 HydrophobicContact CG-CB 4.37Å; Q832-A834 PolarHBondContact NE2-O 3.21Å |
| 833 | V | 78.6 | Confident | 79 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -44.4 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | T822 M824 R831 M906 | T822-V833 PolarHBondContact O-N 3.19Å; M824-V833 HydrophobicContact CB-CG2 3.93Å; M824-V833 HydrophobicContact CG-CG2 3.29Å; R831-V833 PolarHBondContact O-N 2.77Å; V833-M906 HydrophobicContact CG1-CE 3.94Å; V833-M906 HydrophobicContact CG1-SD 3.85Å |
| 834 | A | 81 | Confident | 79.1 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 155.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T822 Q832 V836 L905 M906 | T822-A834 PolarHBondContact N-O 2.92Å; T822-A834 VanDerWaalsContact N-O 3.14Å; T822-A834 PolarHBondContact O-N 3.48Å; Q832-A834 PolarHBondContact NE2-O 3.21Å; A834-V836 HydrophobicContact CB-CG2 4.18Å; A834-L905 WeakPolarHBondContact CB-O 3.26Å; A834-M906 HydrophobicContact CB-SD 3.73Å |
| 835 | K | 84.7 | Confident | 79.2 | Confident | 128 Ų | 128 | 64.7 Ų | 64.7 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 107 | 168 | -176.4 | -170.2 | 172.1 | -167.1 | 0 | 106.9 | V820 I821 N908 | V820-K835 WeakPolarHBondContact O-CA 3.31Å; I821-K835 HydrophobicContact CG1-CG 4.18Å; K835-N908 PolarHBondContact O-OD1 3.47Å |
| 836 | V | 84.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130 | -170.9 | 179.7 | 0 | 0 | 0 | 0 | 110 | V820 A834 R838 L905 S907 | V820-V836 PolarHBondContact N-O 2.87Å; V820-V836 PolarHBondContact O-N 3.26Å; A834-V836 HydrophobicContact CB-CG2 4.18Å; V836-R838 HydrophobicContact CG1-CG 4.18Å; V836-L905 WeakPolarHBondContact CG2-O 3.26Å; V836-S907 WeakPolarHBondContact CG1-O 3.42Å |
| 837 | T | 86.1 | Confident | 80.5 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 31% | 0.307 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.3 | 174.1 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | M817 F818 | M817-T837 HydrophobicContact CE-CG2 4.21Å; F818-T837 WeakPolarHBondContact O-CA 3.46Å |
| 838 | R | 84.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.9 | -178.6 | -68 | -68.6 | 175.5 | -125.9 | 9.1 | 112.9 | M817 F818 V820 V836 E842 F843 S903 F904 S907 E909 | M817-R838 CarbonylContact C-O 3.52Å; M817-R838 WeakPolarHBondContact CA-O 3.43Å; F818-R838 PolarHBondContact N-O 2.58Å; F818-R838 PolarHBondContact O-N 3.26Å; V820-R838 HydrophobicContact CG2-CB 4.2Å; V820-R838 HydrophobicContact CG2-CG 3.98Å; V836-R838 HydrophobicContact CG1-CG 4.18Å; R838-E842 VanDerWaalsContact CA-OE2 3.25Å; R838-E842 WeakPolarHBondContact CA-OE2 3.44Å; R838-E842 VanDerWaalsContact CD-OE2 3.24Å; R838-E842 WeakPolarHBondContact CD-OE2 3.45Å; R838-F843 HydrophobicContact CB-CE2 3.67Å; R838-F843 HydrophobicContact CB-CZ 3.99Å; R838-S903 PolarHBondContact NH2-O 3.13Å; R838-F904 HydrophobicContact CB-CZ 4.13Å; R838-F904 HydrophobicContact CG-CE1 4.01Å; R838-F904 HydrophobicContact CG-CE2 4.06Å; R838-F904 HydrophobicContact CG-CZ 3.66Å; R838-F904 PolarHBondContact NE-O 3.3Å; R838-F904 PolarHBondContact NH2-O 2.97Å; R838-S907 PolarHBondContact NH1-O 3.28Å; R838-S907 PolarHBondContact NH2-O 2.93Å; R838-E909 PolarHBondContact NH1-O 3.21Å |
| 839 | K | 83.9 | Confident | 81.7 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 150.5 | 177.9 | -62.2 | 170.4 | -173.8 | 164.7 | 0 | 110.7 | M817 S841 E842 F843 | M817-K839 HydrophobicContact CG-CG 4.08Å; M817-K839 HydrophobicContact SD-CG 4.1Å; K839-S841 PolarHBondContact O-N 2.72Å; K839-E842 HydrophobicContact CB-CG 4.04Å; K839-E842 PolarHBondContact N-OE2 3.39Å; K839-E842 WeakPolarHBondContact O-CB 3.28Å; K839-E842 PolarHBondContact O-N 3.46Å; K839-F843 WeakPolarHBondContact O-CD2 3.22Å |
| 840 | Y | 84.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -47.3 | -36.8 | 175.6 | 177.8 | -105.2 | 0 | 0 | 0 | 114.4 | F818 Y844 R865 F874 L875 K878 F882 | F818-Y840 HydrophobicContact CE2-CD2 4.21Å; F818-Y840 HydrophobicContact CZ-CD2 4.4Å; Y840-Y844 HydrophobicContact CD1-CE2 4.46Å; Y840-Y844 HydrophobicContact CD2-CE2 4.46Å; Y840-Y844 AromaticContact CE1-CE2 3.9Å; Y840-Y844 HydrophobicContact CE1-CE2 3.9Å; Y840-Y844 AromaticContact CE2-CE2 3.89Å; Y840-Y844 HydrophobicContact CE2-CE2 3.89Å; Y840-Y844 AromaticContact CZ-CE2 3.57Å; Y840-Y844 WeakPolarHBondContact O-CD2 3.38Å; Y840-Y844 PolarHBondContact OH-OH 2.73Å; Y840-R865 HydrophobicContact CE1-CG 4.24Å; Y840-F874 HydrophobicContact CD2-CE1 4.46Å; Y840-F874 HydrophobicContact CE1-CE1 4.39Å; Y840-F874 AromaticContact CE2-CE1 3.85Å; Y840-F874 HydrophobicContact CE2-CE1 3.85Å; Y840-F874 HydrophobicContact CE2-CZ 4.2Å; Y840-F874 AromaticContact CZ-CE1 3.81Å; Y840-F874 AromaticContact CZ-CZ 3.94Å; Y840-L875 HydrophobicContact CD2-CD2 3.64Å; Y840-L875 HydrophobicContact CE2-CD2 4.43Å; Y840-L875 HydrophobicContact CG-CD2 3.85Å; Y840-K878 HydrophobicContact CE2-CG 4.28Å; Y840-F882 AromaticContact CD2-CE2 3.8Å; Y840-F882 HydrophobicContact CD2-CE2 3.8Å; Y840-F882 AromaticContact CD2-CZ 3.76Å; Y840-F882 HydrophobicContact CD2-CZ 3.76Å; Y840-F882 HydrophobicContact CE2-CE2 4Å; Y840-F882 AromaticContact CE2-CZ 3.66Å; Y840-F882 HydrophobicContact CE2-CZ 3.66Å |
| 841 | S | 81.1 | Confident | 82.8 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.5 | -26.8 | 178 | 43.9 | 0 | 0 | 0 | 0 | 114.5 | K839 Y844 V845 | K839-S841 PolarHBondContact O-N 2.72Å; S841-Y844 PolarHBondContact O-N 2.64Å; S841-V845 WeakPolarHBondContact O-CG2 3.44Å; S841-V845 PolarHBondContact O-N 3.04Å |
| 842 | E | 84.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.9 | -30.5 | -172.8 | -68.5 | 169.3 | 172.3 | 0 | 0 | 112 | R838 K839 Y844 V845 L846 F904 F911 | R838-E842 VanDerWaalsContact CA-OE2 3.25Å; R838-E842 WeakPolarHBondContact CA-OE2 3.44Å; R838-E842 VanDerWaalsContact CD-OE2 3.24Å; R838-E842 WeakPolarHBondContact CD-OE2 3.45Å; K839-E842 HydrophobicContact CB-CG 4.04Å; K839-E842 PolarHBondContact N-OE2 3.39Å; K839-E842 WeakPolarHBondContact O-CB 3.28Å; K839-E842 PolarHBondContact O-N 3.46Å; E842-Y844 PolarHBondContact O-N 3.08Å; E842-V845 PolarHBondContact O-N 3.4Å; E842-L846 PolarHBondContact O-N 2.86Å; E842-F904 HydrophobicContact CB-CE2 4.19Å; E842-F911 HydrophobicContact CB-CB 4.01Å; E842-F911 HydrophobicContact CB-CD1 4.21Å; E842-F911 HydrophobicContact CG-CB 3.85Å; E842-F911 PolarHBondContact OE1-N 3.35Å |
| 843 | F | 87.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 172.7 | -68.5 | -95.4 | 0 | 0 | 0 | 112.3 | I689 F818 V820 R838 K839 L846 E847 L862 F882 L886 F904 | I689-F843 HydrophobicContact CD1-CE1 4.13Å; I689-F843 HydrophobicContact CD1-CZ 4.19Å; F818-F843 HydrophobicContact CB-CE2 3.95Å; F818-F843 HydrophobicContact CB-CZ 3.91Å; F818-F843 HydrophobicContact CD2-CD2 4.32Å; F818-F843 AromaticContact CD2-CE2 3.58Å; F818-F843 HydrophobicContact CD2-CE2 3.58Å; F818-F843 HydrophobicContact CD2-CZ 4.27Å; F818-F843 HydrophobicContact CE2-CE2 4.36Å; F818-F843 AromaticContact CG-CE2 3.92Å; F818-F843 HydrophobicContact CG-CE2 3.92Å; F818-F843 HydrophobicContact CG-CZ 4.14Å; V820-F843 HydrophobicContact CG2-CE1 4.46Å; V820-F843 HydrophobicContact CG2-CZ 3.93Å; R838-F843 HydrophobicContact CB-CE2 3.67Å; R838-F843 HydrophobicContact CB-CZ 3.99Å; K839-F843 WeakPolarHBondContact O-CD2 3.22Å; F843-L846 WeakPolarHBondContact O-CB 3.38Å; F843-L846 PolarHBondContact O-N 2.9Å; F843-E847 PolarHBondContact O-N 3.08Å; F843-L862 HydrophobicContact CB-CD1 4.23Å; F843-F882 HydrophobicContact CB-CD1 3.86Å; F843-F882 HydrophobicContact CB-CE1 3.71Å; F843-F882 HydrophobicContact CB-CZ 4.27Å; F843-F882 HydrophobicContact CD1-CB 3.86Å; F843-F882 AromaticContact CD1-CD1 3.75Å; F843-F882 HydrophobicContact CD1-CD1 3.75Å; F843-F882 HydrophobicContact CD1-CD2 4.47Å; F843-F882 HydrophobicContact CD1-CE1 4.43Å; F843-F882 AromaticContact CD1-CG 3.79Å; F843-F882 HydrophobicContact CD1-CG 3.79Å; F843-F882 HydrophobicContact CD2-CD2 4.48Å; F843-F882 HydrophobicContact CE1-CB 3.75Å; F843-F882 HydrophobicContact CE1-CD1 4.47Å; F843-F882 HydrophobicContact CE1-CG 4.06Å; F843-F882 AromaticContact CG-CD1 3.83Å; F843-F882 HydrophobicContact CG-CD1 3.83Å; F843-F882 HydrophobicContact CG-CD2 4.43Å; F843-F882 HydrophobicContact CG-CE1 4.05Å; F843-F882 HydrophobicContact CG-CG 4.05Å; F843-F882 HydrophobicContact CG-CZ 4.43Å; F843-F882 HydrophobicContact CZ-CB 4.43Å; F843-L886 HydrophobicContact CE1-CD1 4Å; F843-L886 HydrophobicContact CE1-CG 4.43Å; F843-F904 HydrophobicContact CD1-CE1 4.48Å; F843-F904 AromaticContact CD1-CZ 3.93Å; F843-F904 HydrophobicContact CD1-CZ 3.93Å; F843-F904 HydrophobicContact CD2-CZ 4.42Å; F843-F904 HydrophobicContact CE1-CE1 4.21Å; F843-F904 AromaticContact CE1-CZ 3.92Å; F843-F904 HydrophobicContact CE1-CZ 3.92Å; F843-F904 HydrophobicContact CE2-CZ 4.38Å; F843-F904 HydrophobicContact CG-CZ 4.19Å; F843-F904 HydrophobicContact CZ-CZ 4.14Å |
| 844 | Y | 86.1 | Confident | 82.3 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 9% | 0.09 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.4 | -26 | 175.2 | -62.7 | -79.4 | 0 | 0 | 0 | 112.9 | Y840 S841 E842 Q848 L862 P863 R865 F882 | Y840-Y844 HydrophobicContact CD1-CE2 4.46Å; Y840-Y844 HydrophobicContact CD2-CE2 4.46Å; Y840-Y844 AromaticContact CE1-CE2 3.9Å; Y840-Y844 HydrophobicContact CE1-CE2 3.9Å; Y840-Y844 AromaticContact CE2-CE2 3.89Å; Y840-Y844 HydrophobicContact CE2-CE2 3.89Å; Y840-Y844 AromaticContact CZ-CE2 3.57Å; Y840-Y844 WeakPolarHBondContact O-CD2 3.38Å; Y840-Y844 PolarHBondContact OH-OH 2.73Å; S841-Y844 PolarHBondContact O-N 2.64Å; E842-Y844 PolarHBondContact O-N 3.08Å; Y844-Q848 VanDerWaalsContact O-CB 3.28Å; Y844-Q848 WeakPolarHBondContact O-CB 3.26Å; Y844-Q848 PolarHBondContact O-N 3.22Å; Y844-L862 HydrophobicContact CD1-CB 4.29Å; Y844-L862 HydrophobicContact CD1-CD1 4.02Å; Y844-L862 HydrophobicContact CE1-CB 3.85Å; Y844-L862 HydrophobicContact CE1-CD1 4.18Å; Y844-P863 WeakPolarHBondContact CE1-O 3.31Å; Y844-P863 PolarHBondContact OH-O 3.21Å; Y844-R865 HydrophobicContact CD1-CB 4.2Å; Y844-R865 HydrophobicContact CD2-CB 4.44Å; Y844-R865 HydrophobicContact CD2-CG 4.39Å; Y844-R865 HydrophobicContact CE1-CB 3.87Å; Y844-R865 HydrophobicContact CE2-CB 4.14Å; Y844-R865 HydrophobicContact CE2-CG 4.19Å; Y844-R865 HydrophobicContact CG-CB 4.46Å; Y844-F882 HydrophobicContact CE2-CE1 4.23Å; Y844-F882 HydrophobicContact CE2-CZ 4.04Å |
| 845 | V | 82.7 | Confident | 81.9 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.5 | -39.7 | 170.8 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | S841 E842 K849 F911 T913 | S841-V845 WeakPolarHBondContact O-CG2 3.44Å; S841-V845 PolarHBondContact O-N 3.04Å; E842-V845 PolarHBondContact O-N 3.4Å; V845-K849 WeakPolarHBondContact O-CB 3.42Å; V845-K849 PolarHBondContact O-N 3.4Å; V845-F911 HydrophobicContact CG1-CD1 4.26Å; V845-F911 HydrophobicContact CG1-CE1 4.07Å; V845-T913 HydrophobicContact CG1-CG2 4.21Å |
| 846 | L | 86.3 | Confident | 81 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -51.6 | 172.8 | 177.9 | 68 | 0 | 0 | 0 | 110.9 | E842 F843 K849 L850 L886 L889 L900 L901 F904 F911 | E842-L846 PolarHBondContact O-N 2.86Å; F843-L846 WeakPolarHBondContact O-CB 3.38Å; F843-L846 PolarHBondContact O-N 2.9Å; L846-K849 PolarHBondContact O-N 3.22Å; L846-L850 HydrophobicContact CD1-CD1 3.79Å; L846-L850 HydrophobicContact CD1-CG 4.1Å; L846-L850 HydrophobicContact CD2-CD1 4.43Å; L846-L850 HydrophobicContact CG-CD1 3.75Å; L846-L850 HydrophobicContact CG-CG 4.4Å; L846-L850 WeakPolarHBondContact O-CB 3.24Å; L846-L850 VanDerWaalsContact O-CG 3.27Å; L846-L850 WeakPolarHBondContact O-CG 3.41Å; L846-L850 PolarHBondContact O-N 3.04Å; L846-L886 HydrophobicContact CD2-CD2 3.96Å; L846-L889 HydrophobicContact CD2-CD1 4.07Å; L846-L900 HydrophobicContact CD1-CD2 4.34Å; L846-L900 HydrophobicContact CD1-CG 4.11Å; L846-L901 HydrophobicContact CD2-CD1 4.4Å; L846-F904 HydrophobicContact CB-CD2 4.01Å; L846-F904 HydrophobicContact CB-CE2 4.11Å; L846-F904 HydrophobicContact CD1-CB 4.03Å; L846-F904 HydrophobicContact CD1-CD2 4.28Å; L846-F904 HydrophobicContact CD1-CG 4.21Å; L846-F904 HydrophobicContact CD2-CB 4.32Å; L846-F904 HydrophobicContact CD2-CD1 3.81Å; L846-F904 HydrophobicContact CD2-CD2 3.9Å; L846-F904 HydrophobicContact CD2-CE1 4.04Å; L846-F904 HydrophobicContact CD2-CE2 4.1Å; L846-F904 HydrophobicContact CD2-CG 3.74Å; L846-F904 HydrophobicContact CD2-CZ 4.17Å; L846-F904 HydrophobicContact CG-CD2 4.27Å; L846-F904 HydrophobicContact CG-CG 4.4Å; L846-F911 HydrophobicContact CB-CE1 4.01Å; L846-F911 HydrophobicContact CB-CZ 4.47Å; L846-F911 HydrophobicContact CD1-CE1 4.43Å; L846-F911 HydrophobicContact CD1-CZ 4.05Å |
| 847 | E | 85.2 | Confident | 80.5 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.4 | -54.1 | 174.7 | 174.1 | 179.7 | -130 | 0 | 0 | 112 | F843 K849 L850 I851 Q861 L862 Y885 | F843-E847 PolarHBondContact O-N 3.08Å; E847-K849 VanDerWaalsContact C-N 3.29Å; E847-K849 PolarHBondContact O-N 3.41Å; E847-L850 PolarHBondContact O-N 2.94Å; E847-L850 VanDerWaalsContact O-N 3.17Å; E847-I851 HydrophobicContact CG-CD1 3.75Å; E847-I851 WeakPolarHBondContact O-CG1 3.31Å; E847-I851 PolarHBondContact O-N 2.8Å; E847-Q861 WeakPolarHBondContact OE1-CA 3.43Å; E847-L862 HydrophobicContact CB-CD1 3.98Å; E847-L862 PolarHBondContact OE1-N 3.43Å; E847-Y885 WeakPolarHBondContact CA-OH 3.34Å; E847-Y885 HydrophobicContact CB-CE1 4.42Å; E847-Y885 WeakPolarHBondContact CB-OH 3.49Å |
| 848 | Q | 82.2 | Confident | 80.1 | Confident | 110 Ų | 110 | 41.5 Ų | 41.5 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.7 | -40.6 | -176.9 | -169.6 | -179.4 | 36.7 | 0 | 0 | 111.8 | Y844 E852 | Y844-Q848 VanDerWaalsContact O-CB 3.28Å; Y844-Q848 WeakPolarHBondContact O-CB 3.26Å; Y844-Q848 PolarHBondContact O-N 3.22Å; Q848-E852 VanDerWaalsContact O-CB 3.29Å; Q848-E852 WeakPolarHBondContact O-CB 3.46Å; Q848-E852 PolarHBondContact O-N 3.11Å |
| 849 | K | 75.6 | Confident | 79.7 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.4 | -34.7 | 177.5 | -77.6 | -162.5 | 168.9 | -146.8 | 0 | 113.3 | V845 L846 E847 E852 F853 L900 T913 N919 | V845-K849 WeakPolarHBondContact O-CB 3.42Å; V845-K849 PolarHBondContact O-N 3.4Å; L846-K849 PolarHBondContact O-N 3.22Å; E847-K849 VanDerWaalsContact C-N 3.29Å; E847-K849 PolarHBondContact O-N 3.41Å; K849-E852 WeakPolarHBondContact O-CB 3.37Å; K849-E852 PolarHBondContact O-N 2.85Å; K849-F853 WeakPolarHBondContact O-CD2 3.37Å; K849-F853 PolarHBondContact O-N 2.91Å; K849-L900 HydrophobicContact CB-CD2 3.66Å; K849-L900 HydrophobicContact CD-CD1 4.45Å; K849-T913 HydrophobicContact CD-CG2 4.01Å; K849-T913 WeakPolarHBondContact CE-OG1 3.43Å; K849-T913 PolarHBondContact NZ-OG1 3.45Å; K849-N919 PolarHBondContact NZ-OD1 3.26Å |
| 850 | L | 82.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 174.4 | -74.1 | 172.4 | 0 | 0 | 0 | 111.5 | L846 E847 F853 H854 I858 L889 L895 L900 | L846-L850 HydrophobicContact CD1-CD1 3.79Å; L846-L850 HydrophobicContact CD1-CG 4.1Å; L846-L850 HydrophobicContact CD2-CD1 4.43Å; L846-L850 HydrophobicContact CG-CD1 3.75Å; L846-L850 HydrophobicContact CG-CG 4.4Å; L846-L850 WeakPolarHBondContact O-CB 3.24Å; L846-L850 VanDerWaalsContact O-CG 3.27Å; L846-L850 WeakPolarHBondContact O-CG 3.41Å; L846-L850 PolarHBondContact O-N 3.04Å; E847-L850 PolarHBondContact O-N 2.94Å; E847-L850 VanDerWaalsContact O-N 3.17Å; L850-F853 PolarHBondContact O-N 3.24Å; L850-H854 WeakPolarHBondContact O-CB 3.41Å; L850-H854 PolarHBondContact O-CD2 3.46Å; L850-H854 PolarHBondContact O-N 3.05Å; L850-I858 HydrophobicContact CB-CD1 3.52Å; L850-L889 HydrophobicContact CD1-CD1 3.51Å; L850-L889 HydrophobicContact CD1-CD2 3.98Å; L850-L889 HydrophobicContact CD1-CG 4.37Å; L850-L895 HydrophobicContact CD2-CD2 3.95Å; L850-L900 HydrophobicContact CD2-CD2 3.91Å; L850-L900 HydrophobicContact CG-CD2 3.98Å |
| 851 | I | 81.8 | Confident | 79.1 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 171.1 | -64.7 | 171.1 | 0 | 0 | 0 | 110.9 | E847 F853 G855 | E847-I851 HydrophobicContact CG-CD1 3.75Å; E847-I851 WeakPolarHBondContact O-CG1 3.31Å; E847-I851 PolarHBondContact O-N 2.8Å; I851-F853 VanDerWaalsContact C-N 3.3Å; I851-F853 PolarHBondContact O-N 3.41Å; I851-G855 VanDerWaalsContact O-CA 3.32Å; I851-G855 WeakPolarHBondContact O-CA 3.29Å; I851-G855 PolarHBondContact O-N 3.5Å |
| 852 | E | 77 | Confident | 79.1 | Confident | 59 Ų | 59 | 55 Ų | 55 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -32.9 | 175.5 | -173.5 | 170.6 | -159 | 0 | 0 | 113 | Q848 K849 G921 R922 | Q848-E852 VanDerWaalsContact O-CB 3.29Å; Q848-E852 WeakPolarHBondContact O-CB 3.46Å; Q848-E852 PolarHBondContact O-N 3.11Å; K849-E852 WeakPolarHBondContact O-CB 3.37Å; K849-E852 PolarHBondContact O-N 2.85Å; E852-G921 VanDerWaalsContact OE1-CA 3.3Å; E852-G921 WeakPolarHBondContact OE1-CA 3.49Å; E852-R922 PolarHBondContact OE1-N 3.16Å |
| 853 | F | 72.3 | Confident | 78.8 | Confident | 130 Ų | 130 | 57.7 Ų | 57.7 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -94.5 | -29.7 | 178.3 | -72.6 | -62 | 0 | 0 | 0 | 115.3 | K849 L850 I851 L900 | K849-F853 WeakPolarHBondContact O-CD2 3.37Å; K849-F853 PolarHBondContact O-N 2.91Å; L850-F853 PolarHBondContact O-N 3.24Å; I851-F853 VanDerWaalsContact C-N 3.3Å; I851-F853 PolarHBondContact O-N 3.41Å; F853-L900 HydrophobicContact CD2-CD2 4.36Å |
| 854 | H | 75.1 | Confident | 78.1 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -118.3 | -2.6 | -172.7 | -58.2 | -73.6 | 0 | 0 | 0 | 114.6 | L850 S856 L857 I858 F894 L895 | L850-H854 WeakPolarHBondContact O-CB 3.41Å; L850-H854 PolarHBondContact O-CD2 3.46Å; L850-H854 PolarHBondContact O-N 3.05Å; H854-S856 PolarHBondContact O-N 3.37Å; H854-L857 WeakPolarHBondContact O-CB 3.32Å; H854-L857 WeakPolarHBondContact O-CG 3.36Å; H854-L857 PolarHBondContact O-N 2.99Å; H854-I858 HydrophobicContact CB-CD1 4.13Å; H854-I858 HydrophobicContact CB-CG1 4.27Å; H854-F894 HydrophobicContact CB-CE2 4.15Å; H854-F894 AromaticContact ND1-CD2 3.9Å; H854-L895 WeakPolarHBondContact NE2-CD2 3.45Å |
| 855 | G | 71.6 | Confident | 77.4 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 38% | 0.381 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | 56.7 | -133.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I851 L857 | I851-G855 VanDerWaalsContact O-CA 3.32Å; I851-G855 WeakPolarHBondContact O-CA 3.29Å; I851-G855 PolarHBondContact O-N 3.5Å; G855-L857 PolarHBondContact O-N 3.36Å |
| 856 | S | 67.6 | Low | 76.7 | Confident | 118 Ų | 118 | 75.3 Ų | 75.3 | 83% | 0.825 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -73.2 | -1.4 | -176.8 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | H854 I858 | H854-S856 PolarHBondContact O-N 3.37Å; S856-I858 PolarHBondContact O-N 2.72Å |
| 857 | L | 72.9 | Confident | 75.4 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 53% | 0.529 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -67.4 | -17.2 | 176.3 | -62.3 | 175 | 0 | 0 | 0 | 112.8 | H854 G855 I859 F894 | H854-L857 WeakPolarHBondContact O-CB 3.32Å; H854-L857 WeakPolarHBondContact O-CG 3.36Å; H854-L857 PolarHBondContact O-N 2.99Å; G855-L857 PolarHBondContact O-N 3.36Å; L857-I859 PolarHBondContact O-N 3.39Å; L857-F894 HydrophobicContact CB-CE1 4.32Å; L857-F894 HydrophobicContact CB-CE2 4.09Å; L857-F894 HydrophobicContact CB-CZ 3.78Å |
| 858 | I | 77.8 | Confident | 74 | Confident | 7 Ų | 7 | 86.6 Ų | 86.6 | 4% | 0.036 | 44% | 0.435 | C | S | . | . | trans | -98.8 | 85.2 | 179.8 | -56.4 | -176 | 0 | 0 | 0 | 109 | L850 H854 S856 Y888 L889 F894 | L850-I858 HydrophobicContact CB-CD1 3.52Å; H854-I858 HydrophobicContact CB-CD1 4.13Å; H854-I858 HydrophobicContact CB-CG1 4.27Å; S856-I858 PolarHBondContact O-N 2.72Å; I858-Y888 HydrophobicContact CG2-CE1 4.32Å; I858-L889 HydrophobicContact CG2-CD2 4.43Å; I858-F894 HydrophobicContact CG1-CE2 4.24Å; I858-F894 HydrophobicContact CG1-CZ 4.25Å | ||
| 859 | I | 75.3 | Confident | 72.6 | Confident | 148 Ų | 148 | 86.4 Ų | 86.4 | 76% | 0.759 | 44% | 0.443 | S | S | * | . | trans | -67.9 | -38.9 | -174.4 | -56.4 | 172.7 | 0 | 0 | 0 | 112.1 | L857 Y888 | L857-I859 PolarHBondContact O-N 3.39Å; I859-Y888 PolarHBondContact N-OH 3.07Å | ||
| 860 | K | 78.5 | Confident | 72.1 | Confident | 88 Ų | 88 | 90.7 Ų | 90.7 | 38% | 0.383 | 46% | 0.459 | S | S | . | . | trans | -86.9 | 122.7 | -179.9 | -166.8 | 179.2 | -173.3 | 177.3 | 0 | 110.3 | S884 Y885 Y888 | K860-S884 PolarHBondContact NZ-O 2.76Å; K860-Y885 WeakPolarHBondContact O-CE2 3.29Å; K860-Y888 HydrophobicContact CB-CD1 3.83Å; K860-Y888 HydrophobicContact CB-CD2 4.11Å; K860-Y888 HydrophobicContact CB-CE1 3.65Å; K860-Y888 HydrophobicContact CB-CE2 3.9Å; K860-Y888 HydrophobicContact CB-CG 4.07Å; K860-Y888 HydrophobicContact CD-CD1 4.18Å; K860-Y888 HydrophobicContact CD-CD2 3.94Å; K860-Y888 HydrophobicContact CD-CG 3.74Å | ||
| 861 | Q | 77.7 | Confident | 71.4 | Confident | 137 Ų | 137 | 94.1 Ų | 94.1 | 64% | 0.64 | 48% | 0.48 | S | S | * | . | trans | -107.9 | 162.3 | 175.3 | -66.4 | 179.5 | 3.3 | 0 | 0 | 111.5 | E847 | E847-Q861 WeakPolarHBondContact OE1-CA 3.43Š| ||
| 862 | L | 82.1 | Confident | 71 | Confident | 14 Ų | 14 | 95.7 Ų | 95.7 | 7% | 0.073 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 153.2 | 172.7 | -69.1 | 173.1 | 0 | 0 | 0 | 111.5 | F843 Y844 E847 K864 F882 Y885 | F843-L862 HydrophobicContact CB-CD1 4.23Å; Y844-L862 HydrophobicContact CD1-CB 4.29Å; Y844-L862 HydrophobicContact CD1-CD1 4.02Å; Y844-L862 HydrophobicContact CE1-CB 3.85Å; Y844-L862 HydrophobicContact CE1-CD1 4.18Å; E847-L862 HydrophobicContact CB-CD1 3.98Å; E847-L862 PolarHBondContact OE1-N 3.43Å; L862-K864 PolarHBondContact O-N 3.3Å; L862-F882 HydrophobicContact CD1-CD1 4.33Å; L862-F882 HydrophobicContact CD1-CE1 4.1Å; L862-F882 HydrophobicContact CD2-CD1 3.67Å; L862-F882 HydrophobicContact CD2-CE1 3.99Å; L862-Y885 HydrophobicContact CD1-CD1 4.19Å; L862-Y885 HydrophobicContact CD1-CE1 4.06Å; L862-Y885 HydrophobicContact CD2-CD1 3.64Å; L862-Y885 HydrophobicContact CD2-CD2 3.89Å; L862-Y885 HydrophobicContact CD2-CE1 4.25Å; L862-Y885 HydrophobicContact CD2-CE2 4.49Å; L862-Y885 HydrophobicContact CD2-CG 3.43Å; L862-Y885 VanDerWaalsContact CD2-CG 3.43Å; L862-Y885 HydrophobicContact CG-CD1 3.99Å; L862-Y885 HydrophobicContact CG-CD2 4.11Å; L862-Y885 HydrophobicContact CG-CE1 4.07Å; L862-Y885 HydrophobicContact CG-CE2 4.21Å; L862-Y885 HydrophobicContact CG-CG 4Å |
| 863 | P | 77.3 | Confident | 70.9 | Confident | 63 Ų | 63 | 100.2 Ų | 100.2 | 41% | 0.409 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 135.3 | 172.2 | -23.4 | 34.1 | 0 | 0 | 0 | 111.3 | Y844 R865 A881 | Y844-P863 WeakPolarHBondContact CE1-O 3.31Å; Y844-P863 PolarHBondContact OH-O 3.21Å; P863-R865 PolarHBondContact O-N 3.36Å; P863-A881 HydrophobicContact CG-CB 4.27Å |
| 864 | K | 72.2 | Confident | 71.3 | Confident | 200 Ų | 200 | 95 Ų | 95 | 87% | 0.87 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -47.3 | 125.1 | -177 | -68.7 | -174.6 | 179.4 | -178.9 | 0 | 111.6 | L862 Q866 | L862-K864 PolarHBondContact O-N 3.3Å; K864-Q866 PolarHBondContact O-N 3.17Å |
| 865 | R | 73.3 | Confident | 71.5 | Confident | 136 Ų | 136 | 92.7 Ų | 92.7 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | trans | -57.7 | 109.2 | -177.5 | 176.7 | 178.2 | 158.9 | -176.9 | -8 | 111.6 | Y840 Y844 P863 | Y840-R865 HydrophobicContact CE1-CG 4.24Å; Y844-R865 HydrophobicContact CD1-CB 4.2Å; Y844-R865 HydrophobicContact CD2-CB 4.44Å; Y844-R865 HydrophobicContact CD2-CG 4.39Å; Y844-R865 HydrophobicContact CE1-CB 3.87Å; Y844-R865 HydrophobicContact CE2-CB 4.14Å; Y844-R865 HydrophobicContact CE2-CG 4.19Å; Y844-R865 HydrophobicContact CG-CB 4.46Å; P863-R865 PolarHBondContact O-N 3.36Å | ||
| 866 | Q | 66.6 | Low | 71.9 | Confident | 94 Ų | 94 | 95 Ų | 95 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | trans | -78 | 145.6 | 175.6 | -71.6 | 167.7 | -34.6 | 0 | 0 | 111.6 | K864 I868 F874 | K864-Q866 PolarHBondContact O-N 3.17Å; Q866-I868 VanDerWaalsContact C-N 3.35Å; Q866-I868 HydrophobicContact CB-CD1 4.17Å; Q866-I868 HydrophobicContact CB-CG1 4.27Å; Q866-F874 HydrophobicContact CB-CE2 4.39Å; Q866-F874 HydrophobicContact CB-CZ 4.37Å | ||
| 867 | L | 58.4 | Low | 72.6 | Confident | 168 Ų | 168 | 92.8 Ų | 92.8 | 88% | 0.88 | 46% | 0.461 | S | S | * | . | trans | -94.6 | 15.8 | -178.8 | -88 | 154.2 | 0 | 0 | 0 | 113.4 | ||||
| 868 | I | 57.7 | Low | 73.1 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 47% | 0.472 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -72.1 | 145.8 | -178.4 | -59.8 | 171.4 | 0 | 0 | 0 | 109.9 | Q866 R870 | Q866-I868 VanDerWaalsContact C-N 3.35Å; Q866-I868 HydrophobicContact CB-CD1 4.17Å; Q866-I868 HydrophobicContact CB-CG1 4.27Å; I868-R870 PolarHBondContact O-N 2.76Å |
| 869 | P | 52.8 | Low | 73.4 | Confident | 106 Ų | 106 | 90.2 Ų | 90.2 | 69% | 0.688 | 45% | 0.447 | S | S | * | . | trans | -52.4 | 130.5 | 169.3 | 21.1 | -33.9 | 0 | 0 | 0 | 111.4 | T871 | P869-T871 PolarHBondContact O-N 2.7Š| ||
| 870 | R | 64.7 | Low | 73.9 | Confident | 95 Ų | 95 | 88.6 Ų | 88.6 | 36% | 0.358 | 44% | 0.44 | S | S | . | . | trans | -81.4 | 77.5 | -169.5 | -56.5 | -179.7 | -160.8 | 157.5 | 7.6 | 111.4 | I868 L875 | I868-R870 PolarHBondContact O-N 2.76Å; R870-L875 HydrophobicContact CB-CD1 4.24Å; R870-L875 HydrophobicContact CB-CD2 4.38Å; R870-L875 HydrophobicContact CB-CG 4.3Å | ||
| 871 | T | 67.3 | Low | 74.2 | Confident | 72 Ų | 72 | 86 Ų | 86 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | trans | -62.4 | 160.6 | 168.5 | 59.3 | 0 | 0 | 0 | 0 | 111 | P869 F874 L875 | P869-T871 PolarHBondContact O-N 2.7Å; T871-F874 PolarHBondContact O-N 3.48Å; T871-F874 VanDerWaalsContact OG1-CB 3.3Å; T871-F874 WeakPolarHBondContact OG1-CB 3.35Å; T871-F874 PolarHBondContact OG1-N 3.2Å; T871-L875 PolarHBondContact O-N 3.34Å | ||
| 872 | M | 72.5 | Confident | 74.8 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 46% | 0.458 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -51.5 | 176.4 | 176.1 | 169.4 | 162.2 | 0 | 0 | 110.7 | L692 F816 F874 L875 E876 | L692-M872 HydrophobicContact CD1-CG 4.39Å; F816-M872 HydrophobicContact CE1-SD 4.49Å; F816-M872 HydrophobicContact CE2-CB 4.26Å; F816-M872 HydrophobicContact CZ-CB 4.34Å; F816-M872 HydrophobicContact CZ-SD 4.36Å; M872-F874 VanDerWaalsContact C-N 3.3Å; M872-F874 PolarHBondContact O-N 3.25Å; M872-L875 PolarHBondContact O-N 2.98Å; M872-E876 WeakPolarHBondContact CE-OE1 3.44Å; M872-E876 HydrophobicContact CG-CG 4.45Å; M872-E876 WeakPolarHBondContact O-CG 3.46Å; M872-E876 PolarHBondContact O-N 3.16Å |
| 873 | E | 74.9 | Confident | 75.1 | Confident | 153 Ų | 153 | 81.1 Ų | 81.1 | 72% | 0.715 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -51.5 | -44.3 | 174.9 | -59.5 | 165.4 | 172.9 | 0 | 0 | 112.7 | L875 E876 S877 | E873-L875 VanDerWaalsContact C-N 3.35Å; E873-L875 PolarHBondContact O-N 3.06Å; E873-E876 PolarHBondContact O-N 3.31Å; E873-S877 WeakPolarHBondContact O-CB 3.36Å; E873-S877 PolarHBondContact O-N 3.24Å |
| 874 | F | 80.5 | Confident | 75.6 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 177.2 | 170.7 | -95.3 | 0 | 0 | 0 | 111.6 | Y840 Q866 T871 M872 S877 | Y840-F874 HydrophobicContact CD2-CE1 4.46Å; Y840-F874 HydrophobicContact CE1-CE1 4.39Å; Y840-F874 AromaticContact CE2-CE1 3.85Å; Y840-F874 HydrophobicContact CE2-CE1 3.85Å; Y840-F874 HydrophobicContact CE2-CZ 4.2Å; Y840-F874 AromaticContact CZ-CE1 3.81Å; Y840-F874 AromaticContact CZ-CZ 3.94Å; Q866-F874 HydrophobicContact CB-CE2 4.39Å; Q866-F874 HydrophobicContact CB-CZ 4.37Å; T871-F874 PolarHBondContact O-N 3.48Å; T871-F874 VanDerWaalsContact OG1-CB 3.3Å; T871-F874 WeakPolarHBondContact OG1-CB 3.35Å; T871-F874 PolarHBondContact OG1-N 3.2Å; M872-F874 VanDerWaalsContact C-N 3.3Å; M872-F874 PolarHBondContact O-N 3.25Å; F874-S877 PolarHBondContact O-N 3.44Å; F874-S877 PolarHBondContact O-OG 3.16Å |
| 875 | L | 80 | Confident | 76.4 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.2 | -39.5 | -179.5 | -68.7 | 174.2 | 0 | 0 | 0 | 111.8 | L692 F816 F818 Y840 R870 T871 M872 E873 S877 K878 | L692-L875 HydrophobicContact CD1-CB 3.65Å; L692-L875 HydrophobicContact CD1-CD1 4.5Å; L692-L875 HydrophobicContact CD2-CB 4.16Å; F816-L875 HydrophobicContact CB-CD1 3.78Å; F816-L875 HydrophobicContact CD2-CD1 4.41Å; F818-L875 WeakPolarHBondContact CE1-O 3.41Å; F818-L875 HydrophobicContact CE2-CD2 4.12Å; F818-L875 HydrophobicContact CZ-CB 4.1Å; F818-L875 HydrophobicContact CZ-CD2 3.96Å; Y840-L875 HydrophobicContact CD2-CD2 3.64Å; Y840-L875 HydrophobicContact CE2-CD2 4.43Å; Y840-L875 HydrophobicContact CG-CD2 3.85Å; R870-L875 HydrophobicContact CB-CD1 4.24Å; R870-L875 HydrophobicContact CB-CD2 4.38Å; R870-L875 HydrophobicContact CB-CG 4.3Å; T871-L875 PolarHBondContact O-N 3.34Å; M872-L875 PolarHBondContact O-N 2.98Å; E873-L875 VanDerWaalsContact C-N 3.35Å; E873-L875 PolarHBondContact O-N 3.06Å; L875-S877 VanDerWaalsContact C-N 3.32Å; L875-S877 PolarHBondContact O-N 2.83Å; L875-K878 PolarHBondContact O-N 3.1Å; L875-K878 VanDerWaalsContact O-N 3.09Å |
| 876 | E | 80.3 | Confident | 77.2 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 173.5 | -68.2 | -179.6 | 149.4 | 0 | 0 | 111.2 | L692 M872 E873 K878 C879 | L692-E876 HydrophobicContact CD1-CG 3.67Å; L692-E876 HydrophobicContact CG-CG 4.29Å; M872-E876 WeakPolarHBondContact CE-OE1 3.44Å; M872-E876 HydrophobicContact CG-CG 4.45Å; M872-E876 WeakPolarHBondContact O-CG 3.46Å; M872-E876 PolarHBondContact O-N 3.16Å; E873-E876 PolarHBondContact O-N 3.31Å; E876-K878 PolarHBondContact O-N 3.07Å; E876-C879 WeakPolarHBondContact O-CB 3.35Å; E876-C879 PolarHBondContact O-N 3.2Å |
| 877 | S | 82.9 | Confident | 78.2 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -11.1 | 174.3 | 85.1 | 0 | 0 | 0 | 0 | 115.1 | E873 F874 L875 | E873-S877 WeakPolarHBondContact O-CB 3.36Å; E873-S877 PolarHBondContact O-N 3.24Å; F874-S877 PolarHBondContact O-N 3.44Å; F874-S877 PolarHBondContact O-OG 3.16Å; L875-S877 VanDerWaalsContact C-N 3.32Å; L875-S877 PolarHBondContact O-N 2.83Å |
| 878 | K | 82.6 | Confident | 79.6 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -7 | 177.3 | -51.1 | -52.8 | 175.3 | -156.4 | 0 | 113.8 | Y840 L875 E876 D880 A881 F882 | Y840-K878 HydrophobicContact CE2-CG 4.28Å; L875-K878 PolarHBondContact O-N 3.1Å; L875-K878 VanDerWaalsContact O-N 3.09Å; E876-K878 PolarHBondContact O-N 3.07Å; K878-D880 PolarHBondContact O-N 3.37Å; K878-A881 PolarHBondContact O-N 3.34Å; K878-F882 HydrophobicContact CB-CD2 3.82Å; K878-F882 HydrophobicContact CB-CE2 3.47Å; K878-F882 VanDerWaalsContact CB-CE2 3.47Å; K878-F882 HydrophobicContact CB-CZ 4.13Å; K878-F882 HydrophobicContact CG-CE2 4.39Å; K878-F882 WeakPolarHBondContact O-CD2 3.34Å; K878-F882 WeakPolarHBondContact O-CG 3.12Å; K878-F882 PolarHBondContact O-N 2.98Å |
| 879 | C | 84.1 | Confident | 81 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 11% | 0.108 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.4 | -52.7 | 179.2 | -79 | 0 | 0 | 0 | 0 | 111.9 | E876 A881 F882 Q883 | E876-C879 WeakPolarHBondContact O-CB 3.35Å; E876-C879 PolarHBondContact O-N 3.2Å; C879-A881 VanDerWaalsContact C-N 3.34Å; C879-A881 PolarHBondContact O-N 3.4Å; C879-F882 PolarHBondContact O-N 3.35Å; C879-Q883 WeakPolarHBondContact O-CB 3.31Å; C879-Q883 PolarHBondContact O-N 3.28Å |
| 880 | D | 84.7 | Confident | 82.5 | Confident | 114 Ų | 114 | 49.8 Ų | 49.8 | 61% | 0.61 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.1 | -35.7 | -177.8 | -62 | -40.1 | 0 | 0 | 0 | 112.8 | K878 S884 | K878-D880 PolarHBondContact O-N 3.37Å; D880-S884 WeakPolarHBondContact O-CB 3.28Å; D880-S884 PolarHBondContact O-N 3.07Å; D880-S884 PolarHBondContact O-OG 2.97Å |
| 881 | A | 86.4 | Confident | 83.5 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P863 K878 C879 Y885 | P863-A881 HydrophobicContact CG-CB 4.27Å; K878-A881 PolarHBondContact O-N 3.34Å; C879-A881 VanDerWaalsContact C-N 3.34Å; C879-A881 PolarHBondContact O-N 3.4Å; A881-Y885 WeakPolarHBondContact O-CB 3.39Å; A881-Y885 PolarHBondContact O-N 3.21Å; A881-Y885 VanDerWaalsContact O-N 3.1Å |
| 882 | F | 89.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 176.6 | -67.5 | -44.3 | 0 | 0 | 0 | 112.4 | I689 F818 Y840 F843 Y844 L862 K878 C879 Y885 L886 | I689-F882 HydrophobicContact CD1-CB 3.59Å; F818-F882 HydrophobicContact CD1-CD2 4.42Å; F818-F882 AromaticContact CE1-CD2 3.92Å; F818-F882 HydrophobicContact CE1-CD2 3.92Å; F818-F882 HydrophobicContact CE1-CE2 4.19Å; F818-F882 HydrophobicContact CE2-CD2 4.22Å; F818-F882 AromaticContact CE2-CE2 3.9Å; F818-F882 HydrophobicContact CE2-CE2 3.9Å; F818-F882 AromaticContact CZ-CD2 3.82Å; F818-F882 HydrophobicContact CZ-CD2 3.82Å; F818-F882 AromaticContact CZ-CE2 3.61Å; F818-F882 HydrophobicContact CZ-CE2 3.61Å; Y840-F882 AromaticContact CD2-CE2 3.8Å; Y840-F882 HydrophobicContact CD2-CE2 3.8Å; Y840-F882 AromaticContact CD2-CZ 3.76Å; Y840-F882 HydrophobicContact CD2-CZ 3.76Å; Y840-F882 HydrophobicContact CE2-CE2 4Å; Y840-F882 AromaticContact CE2-CZ 3.66Å; Y840-F882 HydrophobicContact CE2-CZ 3.66Å; F843-F882 HydrophobicContact CB-CD1 3.86Å; F843-F882 HydrophobicContact CB-CE1 3.71Å; F843-F882 HydrophobicContact CB-CZ 4.27Å; F843-F882 HydrophobicContact CD1-CB 3.86Å; F843-F882 AromaticContact CD1-CD1 3.75Å; F843-F882 HydrophobicContact CD1-CD1 3.75Å; F843-F882 HydrophobicContact CD1-CD2 4.47Å; F843-F882 HydrophobicContact CD1-CE1 4.43Å; F843-F882 AromaticContact CD1-CG 3.79Å; F843-F882 HydrophobicContact CD1-CG 3.79Å; F843-F882 HydrophobicContact CD2-CD2 4.48Å; F843-F882 HydrophobicContact CE1-CB 3.75Å; F843-F882 HydrophobicContact CE1-CD1 4.47Å; F843-F882 HydrophobicContact CE1-CG 4.06Å; F843-F882 AromaticContact CG-CD1 3.83Å; F843-F882 HydrophobicContact CG-CD1 3.83Å; F843-F882 HydrophobicContact CG-CD2 4.43Å; F843-F882 HydrophobicContact CG-CE1 4.05Å; F843-F882 HydrophobicContact CG-CG 4.05Å; F843-F882 HydrophobicContact CG-CZ 4.43Å; F843-F882 HydrophobicContact CZ-CB 4.43Å; Y844-F882 HydrophobicContact CE2-CE1 4.23Å; Y844-F882 HydrophobicContact CE2-CZ 4.04Å; L862-F882 HydrophobicContact CD1-CD1 4.33Å; L862-F882 HydrophobicContact CD1-CE1 4.1Å; L862-F882 HydrophobicContact CD2-CD1 3.67Å; L862-F882 HydrophobicContact CD2-CE1 3.99Å; K878-F882 HydrophobicContact CB-CD2 3.82Å; K878-F882 HydrophobicContact CB-CE2 3.47Å; K878-F882 VanDerWaalsContact CB-CE2 3.47Å; K878-F882 HydrophobicContact CB-CZ 4.13Å; K878-F882 HydrophobicContact CG-CE2 4.39Å; K878-F882 WeakPolarHBondContact O-CD2 3.34Å; K878-F882 WeakPolarHBondContact O-CG 3.12Å; K878-F882 PolarHBondContact O-N 2.98Å; C879-F882 PolarHBondContact O-N 3.35Å; F882-Y885 PolarHBondContact O-N 3.22Å; F882-L886 PolarHBondContact O-N 2.85Å |
| 883 | Q | 89.3 | Confident | 84.5 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 173.5 | 176.4 | 166.5 | -70.3 | 0 | 0 | 111.4 | Y688 I689 C879 Y885 L886 Q887 | Y688-Q883 VanDerWaalsContact CB-OE1 3.24Å; I689-Q883 HydrophobicContact CD1-CB 4.26Å; I689-Q883 HydrophobicContact CG1-CB 4.24Å; C879-Q883 WeakPolarHBondContact O-CB 3.31Å; C879-Q883 PolarHBondContact O-N 3.28Å; Q883-Y885 PolarHBondContact O-N 3.25Å; Q883-Y885 VanDerWaalsContact O-N 3.16Å; Q883-L886 PolarHBondContact O-N 3.41Å; Q883-Q887 WeakPolarHBondContact O-CB 3.49Å; Q883-Q887 WeakPolarHBondContact O-CG 3.25Å; Q883-Q887 PolarHBondContact O-N 3.47Å |
| 884 | S | 87.6 | Confident | 84.6 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 36% | 0.357 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.5 | -14.6 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | K860 D880 | K860-S884 PolarHBondContact NZ-O 2.76Å; D880-S884 WeakPolarHBondContact O-CB 3.28Å; D880-S884 PolarHBondContact O-N 3.07Å; D880-S884 PolarHBondContact O-OG 2.97Å |
| 885 | Y | 89.2 | Confident | 84.6 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -89.5 | -48.3 | 172.8 | 179.6 | -106.5 | 0 | 0 | 0 | 111.3 | E847 K860 L862 A881 F882 Q883 Q887 Y888 L889 | E847-Y885 WeakPolarHBondContact CA-OH 3.34Å; E847-Y885 HydrophobicContact CB-CE1 4.42Å; E847-Y885 WeakPolarHBondContact CB-OH 3.49Å; K860-Y885 WeakPolarHBondContact O-CE2 3.29Å; L862-Y885 HydrophobicContact CD1-CD1 4.19Å; L862-Y885 HydrophobicContact CD1-CE1 4.06Å; L862-Y885 HydrophobicContact CD2-CD1 3.64Å; L862-Y885 HydrophobicContact CD2-CD2 3.89Å; L862-Y885 HydrophobicContact CD2-CE1 4.25Å; L862-Y885 HydrophobicContact CD2-CE2 4.49Å; L862-Y885 HydrophobicContact CD2-CG 3.43Å; L862-Y885 VanDerWaalsContact CD2-CG 3.43Å; L862-Y885 HydrophobicContact CG-CD1 3.99Å; L862-Y885 HydrophobicContact CG-CD2 4.11Å; L862-Y885 HydrophobicContact CG-CE1 4.07Å; L862-Y885 HydrophobicContact CG-CE2 4.21Å; L862-Y885 HydrophobicContact CG-CG 4Å; A881-Y885 WeakPolarHBondContact O-CB 3.39Å; A881-Y885 PolarHBondContact O-N 3.21Å; A881-Y885 VanDerWaalsContact O-N 3.1Å; F882-Y885 PolarHBondContact O-N 3.22Å; Q883-Y885 PolarHBondContact O-N 3.25Å; Q883-Y885 VanDerWaalsContact O-N 3.16Å; Y885-Q887 VanDerWaalsContact C-N 3.31Å; Y885-Q887 PolarHBondContact O-N 3.15Å; Y885-Y888 WeakPolarHBondContact O-CB 3.39Å; Y885-Y888 PolarHBondContact O-N 3.43Å; Y885-Y888 VanDerWaalsContact O-N 3.07Å; Y885-L889 HydrophobicContact CD1-CD1 4.02Å; Y885-L889 HydrophobicContact CD1-CG 4.39Å; Y885-L889 HydrophobicContact CE1-CD1 3.53Å; Y885-L889 HydrophobicContact CE1-CD2 4.44Å; Y885-L889 HydrophobicContact CE1-CG 4.1Å; Y885-L889 HydrophobicContact CE2-CD2 4.23Å; Y885-L889 HydrophobicContact CE2-CG 4.46Å; Y885-L889 WeakPolarHBondContact O-CG 3.3Å; Y885-L889 PolarHBondContact O-N 3.49Å |
| 886 | L | 88.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 175.8 | -69.4 | -179.5 | 0 | 0 | 0 | 112.3 | V687 V820 F843 L846 F882 Q883 Y888 L889 I890 F904 L905 | V687-L886 HydrophobicContact CG1-CB 4.01Å; V687-L886 HydrophobicContact CG1-CD1 3.77Å; V820-L886 HydrophobicContact CG1-CD1 3.87Å; V820-L886 HydrophobicContact CG2-CD1 4.37Å; F843-L886 HydrophobicContact CE1-CD1 4Å; F843-L886 HydrophobicContact CE1-CG 4.43Å; L846-L886 HydrophobicContact CD2-CD2 3.96Å; F882-L886 PolarHBondContact O-N 2.85Å; Q883-L886 PolarHBondContact O-N 3.41Å; L886-Y888 VanDerWaalsContact C-N 3.33Å; L886-Y888 PolarHBondContact O-N 2.99Å; L886-L889 HydrophobicContact CD2-CD1 4.45Å; L886-L889 PolarHBondContact O-N 2.96Å; L886-I890 WeakPolarHBondContact O-CG1 3.29Å; L886-I890 PolarHBondContact O-N 2.86Å; L886-I890 VanDerWaalsContact O-N 3.11Å; L886-F904 HydrophobicContact CD1-CE1 4.24Å; L886-F904 HydrophobicContact CD2-CD1 4.21Å; L886-F904 HydrophobicContact CD2-CE1 3.89Å; L886-L905 HydrophobicContact CD1-CD2 4.36Å; L886-L905 HydrophobicContact CD2-CD2 4.47Å |
| 887 | Q | 88.3 | Confident | 83.8 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 174.9 | -69.8 | 172.9 | -4.1 | 0 | 0 | 112.3 | V687 Q883 Y885 A891 | V687-Q887 WeakPolarHBondContact O-CG 3.22Å; V687-Q887 PolarHBondContact O-NE2 2.98Å; Q883-Q887 WeakPolarHBondContact O-CB 3.49Å; Q883-Q887 WeakPolarHBondContact O-CG 3.25Å; Q883-Q887 PolarHBondContact O-N 3.47Å; Y885-Q887 VanDerWaalsContact C-N 3.31Å; Y885-Q887 PolarHBondContact O-N 3.15Å; Q887-A891 WeakPolarHBondContact O-CB 3.23Å; Q887-A891 PolarHBondContact O-N 3.13Å; Q887-A891 VanDerWaalsContact O-N 3.16Å |
| 888 | Y | 88.9 | Confident | 83.6 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 174.2 | 166 | -90.4 | 0 | 0 | 0 | 112.2 | I858 I859 K860 Y885 L886 A891 Q892 | I858-Y888 HydrophobicContact CG2-CE1 4.32Å; I859-Y888 PolarHBondContact N-OH 3.07Å; K860-Y888 HydrophobicContact CB-CD1 3.83Å; K860-Y888 HydrophobicContact CB-CD2 4.11Å; K860-Y888 HydrophobicContact CB-CE1 3.65Å; K860-Y888 HydrophobicContact CB-CE2 3.9Å; K860-Y888 HydrophobicContact CB-CG 4.07Å; K860-Y888 HydrophobicContact CD-CD1 4.18Å; K860-Y888 HydrophobicContact CD-CD2 3.94Å; K860-Y888 HydrophobicContact CD-CG 3.74Å; Y885-Y888 WeakPolarHBondContact O-CB 3.39Å; Y885-Y888 PolarHBondContact O-N 3.43Å; Y885-Y888 VanDerWaalsContact O-N 3.07Å; L886-Y888 VanDerWaalsContact C-N 3.33Å; L886-Y888 PolarHBondContact O-N 2.99Å; Y888-A891 PolarHBondContact O-N 3.5Å; Y888-Q892 HydrophobicContact CE1-CG 4.29Å; Y888-Q892 VanDerWaalsContact CE2-NE2 3.29Å; Y888-Q892 WeakPolarHBondContact O-CG 3.44Å; Y888-Q892 PolarHBondContact O-N 3.48Å; Y888-Q892 PolarHBondContact O-NE2 3.17Å |
| 889 | L | 86.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 178.6 | -67 | -178.5 | 0 | 0 | 0 | 112.3 | L846 L850 I858 Y885 L886 A891 Q892 L895 L901 | L846-L889 HydrophobicContact CD2-CD1 4.07Å; L850-L889 HydrophobicContact CD1-CD1 3.51Å; L850-L889 HydrophobicContact CD1-CD2 3.98Å; L850-L889 HydrophobicContact CD1-CG 4.37Å; I858-L889 HydrophobicContact CG2-CD2 4.43Å; Y885-L889 HydrophobicContact CD1-CD1 4.02Å; Y885-L889 HydrophobicContact CD1-CG 4.39Å; Y885-L889 HydrophobicContact CE1-CD1 3.53Å; Y885-L889 HydrophobicContact CE1-CD2 4.44Å; Y885-L889 HydrophobicContact CE1-CG 4.1Å; Y885-L889 HydrophobicContact CE2-CD2 4.23Å; Y885-L889 HydrophobicContact CE2-CG 4.46Å; Y885-L889 WeakPolarHBondContact O-CG 3.3Å; Y885-L889 PolarHBondContact O-N 3.49Å; L886-L889 HydrophobicContact CD2-CD1 4.45Å; L886-L889 PolarHBondContact O-N 2.96Å; L889-A891 VanDerWaalsContact C-N 3.32Å; L889-A891 PolarHBondContact O-N 3.08Å; L889-Q892 PolarHBondContact O-N 2.71Å; L889-L895 HydrophobicContact CB-CD1 4.04Å; L889-L895 HydrophobicContact CD2-CD1 3.63Å; L889-L895 HydrophobicContact CG-CD1 4.4Å; L889-L895 WeakPolarHBondContact O-CB 3.46Å; L889-L901 HydrophobicContact CB-CD1 4.36Å; L889-L901 HydrophobicContact CB-CD2 4.14Å; L889-L901 HydrophobicContact CD1-CD1 4.13Å |
| 890 | I | 84.5 | Confident | 83.3 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.6 | -32.5 | 179.6 | -63.2 | 163.3 | 0 | 0 | 0 | 111.5 | L682 C685 V687 L886 Q892 L901 L905 | L682-I890 HydrophobicContact CB-CG2 4.39Å; L682-I890 VanDerWaalsContact O-CG2 3.3Å; L682-I890 WeakPolarHBondContact O-CG2 3.31Å; C685-I890 HydrophobicContact CB-CG2 4.47Å; V687-I890 HydrophobicContact CB-CD1 3.76Å; V687-I890 HydrophobicContact CG2-CD1 3.35Å; L886-I890 WeakPolarHBondContact O-CG1 3.29Å; L886-I890 PolarHBondContact O-N 2.86Å; L886-I890 VanDerWaalsContact O-N 3.11Å; I890-Q892 PolarHBondContact O-N 2.9Å; I890-L901 HydrophobicContact CG1-CD2 4.21Å; I890-L905 HydrophobicContact CD1-CD1 3.82Å; I890-L905 HydrophobicContact CG1-CD1 4.11Å |
| 891 | A | 84.6 | Confident | 83.2 | Confident | 61 Ų | 61 | 44.4 Ų | 44.4 | 50% | 0.504 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.3 | -27.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q887 Y888 L889 | Q887-A891 WeakPolarHBondContact O-CB 3.23Å; Q887-A891 PolarHBondContact O-N 3.13Å; Q887-A891 VanDerWaalsContact O-N 3.16Å; Y888-A891 PolarHBondContact O-N 3.5Å; L889-A891 VanDerWaalsContact C-N 3.32Å; L889-A891 PolarHBondContact O-N 3.08Å |
| 892 | Q | 82.9 | Confident | 83.1 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | trans | -69.4 | 121.2 | -180 | -62.9 | -43.9 | -53.6 | 0 | 0 | 111.8 | Y888 L889 I890 F894 L895 | Y888-Q892 HydrophobicContact CE1-CG 4.29Å; Y888-Q892 VanDerWaalsContact CE2-NE2 3.29Å; Y888-Q892 WeakPolarHBondContact O-CG 3.44Å; Y888-Q892 PolarHBondContact O-N 3.48Å; Y888-Q892 PolarHBondContact O-NE2 3.17Å; L889-Q892 PolarHBondContact O-N 2.71Å; I890-Q892 PolarHBondContact O-N 2.9Å; Q892-F894 VanDerWaalsContact C-N 3.28Å; Q892-F894 HydrophobicContact CB-CD1 4.03Å; Q892-F894 HydrophobicContact CB-CE1 3.7Å; Q892-F894 HydrophobicContact CB-CZ 4.01Å; Q892-F894 HydrophobicContact CG-CE1 3.91Å; Q892-F894 HydrophobicContact CG-CZ 4.02Å; Q892-F894 PolarHBondContact O-N 3.2Å; Q892-L895 HydrophobicContact CB-CB 4.22Å; Q892-L895 HydrophobicContact CB-CD1 4.07Å; Q892-L895 HydrophobicContact CB-CG 4.03Å; Q892-L895 HydrophobicContact CG-CD1 4.31Å; Q892-L895 PolarHBondContact O-N 3.2Å; Q892-L895 VanDerWaalsContact O-N 3.09Å | ||
| 893 | P | 77.4 | Confident | 82.8 | Confident | 90 Ų | 90 | 49.1 Ų | 49.1 | 58% | 0.584 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -62.9 | -34.6 | -176 | 24.9 | -33.6 | 0 | 0 | 0 | 112.6 | L895 R896 | P893-L895 PolarHBondContact O-N 3.09Å; P893-R896 PolarHBondContact O-N 2.98Å |
| 894 | F | 78.7 | Confident | 82.7 | Confident | 73 Ų | 73 | 46.9 Ų | 46.9 | 32% | 0.32 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -71.7 | -12.8 | 179 | 65.2 | -91.6 | 0 | 0 | 0 | 114.3 | H854 L857 I858 Q892 | H854-F894 HydrophobicContact CB-CE2 4.15Å; H854-F894 AromaticContact ND1-CD2 3.9Å; L857-F894 HydrophobicContact CB-CE1 4.32Å; L857-F894 HydrophobicContact CB-CE2 4.09Å; L857-F894 HydrophobicContact CB-CZ 3.78Å; I858-F894 HydrophobicContact CG1-CE2 4.24Å; I858-F894 HydrophobicContact CG1-CZ 4.25Å; Q892-F894 VanDerWaalsContact C-N 3.28Å; Q892-F894 HydrophobicContact CB-CD1 4.03Å; Q892-F894 HydrophobicContact CB-CE1 3.7Å; Q892-F894 HydrophobicContact CB-CZ 4.01Å; Q892-F894 HydrophobicContact CG-CE1 3.91Å; Q892-F894 HydrophobicContact CG-CZ 4.02Å; Q892-F894 PolarHBondContact O-N 3.2Å |
| 895 | L | 79.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -98.8 | -7.9 | 177.5 | -64.5 | -175.7 | 0 | 0 | 0 | 113.8 | L850 H854 L889 Q892 P893 N897 S898 L901 | L850-L895 HydrophobicContact CD2-CD2 3.95Å; H854-L895 WeakPolarHBondContact NE2-CD2 3.45Å; L889-L895 HydrophobicContact CB-CD1 4.04Å; L889-L895 HydrophobicContact CD2-CD1 3.63Å; L889-L895 HydrophobicContact CG-CD1 4.4Å; L889-L895 WeakPolarHBondContact O-CB 3.46Å; Q892-L895 HydrophobicContact CB-CB 4.22Å; Q892-L895 HydrophobicContact CB-CD1 4.07Å; Q892-L895 HydrophobicContact CB-CG 4.03Å; Q892-L895 HydrophobicContact CG-CD1 4.31Å; Q892-L895 PolarHBondContact O-N 3.2Å; Q892-L895 VanDerWaalsContact O-N 3.09Å; P893-L895 PolarHBondContact O-N 3.09Å; L895-N897 VanDerWaalsContact C-N 3.25Å; L895-N897 PolarHBondContact O-N 2.64Å; L895-S898 WeakPolarHBondContact O-CB 3.43Å; L895-S898 PolarHBondContact O-N 3.37Å; L895-L901 HydrophobicContact CB-CD2 4.13Å |
| 896 | R | 72.1 | Confident | 82.2 | Confident | 88 Ų | 88 | 46 Ų | 46 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33 | -175.6 | -68.8 | 177.7 | -179 | -173.9 | 4.9 | 114.1 | L682 P893 | L682-R896 WeakPolarHBondContact CD1-O 3.36Å; L682-R896 WeakPolarHBondContact CG-O 3.45Å; P893-R896 PolarHBondContact O-N 2.98Å |
| 897 | N | 72.3 | Confident | 81.6 | Confident | 116 Ų | 116 | 47.4 Ų | 47.4 | 62% | 0.62 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 12.2 | 176.5 | -62.5 | 1.9 | 0 | 0 | 0 | 112.2 | L895 K899 | L895-N897 VanDerWaalsContact C-N 3.25Å; L895-N897 PolarHBondContact O-N 2.64Å; N897-K899 PolarHBondContact O-N 3.43Å; N897-K899 VanDerWaalsContact O-N 3.09Å |
| 898 | S | 77.1 | Confident | 80.9 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | trans | -72.3 | 105.1 | -178.3 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | L895 L900 L901 Y902 | L895-S898 WeakPolarHBondContact O-CB 3.43Å; L895-S898 PolarHBondContact O-N 3.37Å; S898-L900 PolarHBondContact O-N 3.32Å; S898-L900 VanDerWaalsContact O-N 3.1Å; S898-L901 PolarHBondContact O-N 2.85Å; S898-Y902 PolarHBondContact O-N 2.91Å | ||
| 899 | K | 78.5 | Confident | 80 | Confident | 145 Ų | 145 | 51.7 Ų | 51.7 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -57.1 | -25.7 | 177.6 | -160.1 | 170 | -176.9 | -171.9 | 0 | 112.8 | N897 S903 F916 | N897-K899 PolarHBondContact O-N 3.43Å; N897-K899 VanDerWaalsContact O-N 3.09Å; K899-S903 WeakPolarHBondContact O-CB 3.39Å; K899-S903 PolarHBondContact O-N 2.91Å; K899-F916 HydrophobicContact CD-CE1 4.23Å; K899-F916 HydrophobicContact CD-CZ 3.62Å; K899-F916 HydrophobicContact CG-CE2 4.42Å; K899-F916 HydrophobicContact CG-CZ 3.87Å |
| 900 | L | 81.8 | Confident | 78.8 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.4 | -47.5 | 173.1 | -175.4 | 69.8 | 0 | 0 | 0 | 112.1 | L846 K849 L850 F853 S898 S903 F904 F911 | L846-L900 HydrophobicContact CD1-CD2 4.34Å; L846-L900 HydrophobicContact CD1-CG 4.11Å; K849-L900 HydrophobicContact CB-CD2 3.66Å; K849-L900 HydrophobicContact CD-CD1 4.45Å; L850-L900 HydrophobicContact CD2-CD2 3.91Å; L850-L900 HydrophobicContact CG-CD2 3.98Å; F853-L900 HydrophobicContact CD2-CD2 4.36Å; S898-L900 PolarHBondContact O-N 3.32Å; S898-L900 VanDerWaalsContact O-N 3.1Å; L900-S903 PolarHBondContact O-N 3.18Å; L900-F904 PolarHBondContact O-N 3.37Å; L900-F911 HydrophobicContact CD1-CE2 4.28Å; L900-F911 HydrophobicContact CD1-CZ 3.73Å; L900-F911 HydrophobicContact CG-CZ 4.33Å |
| 901 | L | 84 | Confident | 77.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 177.3 | -177 | 59.3 | 0 | 0 | 0 | 111 | L682 L846 L889 I890 L895 S898 S903 F904 L905 | L682-L901 HydrophobicContact CD1-CB 4.39Å; L682-L901 HydrophobicContact CD1-CD2 3.92Å; L682-L901 HydrophobicContact CD1-CG 4.02Å; L846-L901 HydrophobicContact CD2-CD1 4.4Å; L889-L901 HydrophobicContact CB-CD1 4.36Å; L889-L901 HydrophobicContact CB-CD2 4.14Å; L889-L901 HydrophobicContact CD1-CD1 4.13Å; I890-L901 HydrophobicContact CG1-CD2 4.21Å; L895-L901 HydrophobicContact CB-CD2 4.13Å; S898-L901 PolarHBondContact O-N 2.85Å; L901-S903 PolarHBondContact O-N 2.8Å; L901-F904 PolarHBondContact O-N 2.92Å; L901-L905 HydrophobicContact CD1-CD1 3.96Å; L901-L905 HydrophobicContact CD1-CG 4.21Å; L901-L905 HydrophobicContact CG-CD1 3.96Å; L901-L905 WeakPolarHBondContact O-CB 3.27Å; L901-L905 WeakPolarHBondContact O-CG 3.48Å; L901-L905 PolarHBondContact O-N 2.9Å |
| 902 | Y | 84.2 | Confident | 76.5 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 172.9 | -177.7 | -88.7 | 0 | 0 | 0 | 111.7 | L680 L682 S898 F904 L905 M906 | L680-Y902 HydrophobicContact CB-CE2 4.12Å; L680-Y902 HydrophobicContact CD2-CE2 4.4Å; L682-Y902 HydrophobicContact CD2-CD2 4.32Å; S898-Y902 PolarHBondContact O-N 2.91Å; Y902-F904 PolarHBondContact O-N 3.5Å; Y902-L905 PolarHBondContact O-N 3.04Å; Y902-M906 HydrophobicContact CD1-CB 4.48Å; Y902-M906 HydrophobicContact CD1-CG 4.37Å; Y902-M906 HydrophobicContact CD2-CG 3.97Å; Y902-M906 HydrophobicContact CE1-CB 4.19Å; Y902-M906 HydrophobicContact CE1-CG 4.21Å; Y902-M906 HydrophobicContact CE2-CE 4.29Å; Y902-M906 HydrophobicContact CE2-CG 3.79Å; Y902-M906 HydrophobicContact CG-CG 4.25Å; Y902-M906 VanDerWaalsContact O-CB 3.28Å; Y902-M906 WeakPolarHBondContact O-CB 3.45Å; Y902-M906 VanDerWaalsContact O-CG 3.3Å; Y902-M906 WeakPolarHBondContact O-CG 3.45Å; Y902-M906 PolarHBondContact O-N 3.36Å |
| 903 | S | 83.1 | Confident | 74.8 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 176 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | R838 K899 L900 L901 L905 S907 | R838-S903 PolarHBondContact NH2-O 3.13Å; K899-S903 WeakPolarHBondContact O-CB 3.39Å; K899-S903 PolarHBondContact O-N 2.91Å; L900-S903 PolarHBondContact O-N 3.18Å; L901-S903 PolarHBondContact O-N 2.8Å; S903-L905 PolarHBondContact O-N 2.91Å; S903-S907 WeakPolarHBondContact O-CB 3.37Å; S903-S907 PolarHBondContact O-N 3.02Å |
| 904 | F | 85.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 177 | -174 | -87.9 | 0 | 0 | 0 | 112.8 | R838 E842 F843 L846 L886 L900 L901 Y902 F911 | R838-F904 HydrophobicContact CB-CZ 4.13Å; R838-F904 HydrophobicContact CG-CE1 4.01Å; R838-F904 HydrophobicContact CG-CE2 4.06Å; R838-F904 HydrophobicContact CG-CZ 3.66Å; R838-F904 PolarHBondContact NE-O 3.3Å; R838-F904 PolarHBondContact NH2-O 2.97Å; E842-F904 HydrophobicContact CB-CE2 4.19Å; F843-F904 HydrophobicContact CD1-CE1 4.48Å; F843-F904 AromaticContact CD1-CZ 3.93Å; F843-F904 HydrophobicContact CD1-CZ 3.93Å; F843-F904 HydrophobicContact CD2-CZ 4.42Å; F843-F904 HydrophobicContact CE1-CE1 4.21Å; F843-F904 AromaticContact CE1-CZ 3.92Å; F843-F904 HydrophobicContact CE1-CZ 3.92Å; F843-F904 HydrophobicContact CE2-CZ 4.38Å; F843-F904 HydrophobicContact CG-CZ 4.19Å; F843-F904 HydrophobicContact CZ-CZ 4.14Å; L846-F904 HydrophobicContact CB-CD2 4.01Å; L846-F904 HydrophobicContact CB-CE2 4.11Å; L846-F904 HydrophobicContact CD1-CB 4.03Å; L846-F904 HydrophobicContact CD1-CD2 4.28Å; L846-F904 HydrophobicContact CD1-CG 4.21Å; L846-F904 HydrophobicContact CD2-CB 4.32Å; L846-F904 HydrophobicContact CD2-CD1 3.81Å; L846-F904 HydrophobicContact CD2-CD2 3.9Å; L846-F904 HydrophobicContact CD2-CE1 4.04Å; L846-F904 HydrophobicContact CD2-CE2 4.1Å; L846-F904 HydrophobicContact CD2-CG 3.74Å; L846-F904 HydrophobicContact CD2-CZ 4.17Å; L846-F904 HydrophobicContact CG-CD2 4.27Å; L846-F904 HydrophobicContact CG-CG 4.4Å; L886-F904 HydrophobicContact CD1-CE1 4.24Å; L886-F904 HydrophobicContact CD2-CD1 4.21Å; L886-F904 HydrophobicContact CD2-CE1 3.89Å; L900-F904 PolarHBondContact O-N 3.37Å; L901-F904 PolarHBondContact O-N 2.92Å; Y902-F904 PolarHBondContact O-N 3.5Å; F904-F911 HydrophobicContact CB-CD2 4.2Å; F904-F911 HydrophobicContact CB-CE2 3.78Å; F904-F911 HydrophobicContact CB-CZ 4.13Å; F904-F911 HydrophobicContact CD2-CB 4.41Å; F904-F911 AromaticContact CD2-CD1 3.7Å; F904-F911 HydrophobicContact CD2-CD1 3.7Å; F904-F911 AromaticContact CD2-CD2 3.86Å; F904-F911 HydrophobicContact CD2-CD2 3.86Å; F904-F911 AromaticContact CD2-CE1 3.78Å; F904-F911 HydrophobicContact CD2-CE1 3.78Å; F904-F911 AromaticContact CD2-CE2 3.93Å; F904-F911 HydrophobicContact CD2-CE2 3.93Å; F904-F911 AromaticContact CD2-CG 3.74Å; F904-F911 HydrophobicContact CD2-CG 3.74Å; F904-F911 AromaticContact CD2-CZ 3.88Å; F904-F911 HydrophobicContact CD2-CZ 3.88Å; F904-F911 HydrophobicContact CE2-CD1 4.13Å; F904-F911 HydrophobicContact CE2-CE1 4.45Å; F904-F911 HydrophobicContact CE2-CG 4.34Å; F904-F911 HydrophobicContact CG-CD2 4.49Å; F904-F911 HydrophobicContact CG-CE2 4.37Å |
| 905 | L | 85.9 | Confident | 71.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -84.6 | -18.3 | -175.7 | -67.6 | 175.4 | 0 | 0 | 0 | 115 | V687 V820 T822 A834 V836 L886 I890 L901 Y902 S903 | V687-L905 HydrophobicContact CG1-CD2 4.04Å; V687-L905 HydrophobicContact CG2-CD1 4.26Å; V687-L905 HydrophobicContact CG2-CD2 3.94Å; V820-L905 HydrophobicContact CG1-CD2 4.02Å; T822-L905 PolarHBondContact OG1-O 3.31Å; A834-L905 WeakPolarHBondContact CB-O 3.26Å; V836-L905 WeakPolarHBondContact CG2-O 3.26Å; L886-L905 HydrophobicContact CD1-CD2 4.36Å; L886-L905 HydrophobicContact CD2-CD2 4.47Å; I890-L905 HydrophobicContact CD1-CD1 3.82Å; I890-L905 HydrophobicContact CG1-CD1 4.11Å; L901-L905 HydrophobicContact CD1-CD1 3.96Å; L901-L905 HydrophobicContact CD1-CG 4.21Å; L901-L905 HydrophobicContact CG-CD1 3.96Å; L901-L905 WeakPolarHBondContact O-CB 3.27Å; L901-L905 WeakPolarHBondContact O-CG 3.48Å; L901-L905 PolarHBondContact O-N 2.9Å; Y902-L905 PolarHBondContact O-N 3.04Å; S903-L905 PolarHBondContact O-N 2.91Å |
| 906 | M | 81.4 | Confident | 69.3 | Low | 35 Ų | 35 | 62.9 Ų | 62.9 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -123.9 | -23.7 | -170.2 | -54.3 | -62.7 | -172.7 | 0 | 0 | 115.4 | L680 L682 T822 V833 A834 Y902 | L680-M906 HydrophobicContact CD2-CE 4.04Å; L682-M906 HydrophobicContact CD2-CE 4.25Å; T822-M906 HydrophobicContact CG2-CE 3.85Å; T822-M906 HydrophobicContact CG2-SD 4.46Å; V833-M906 HydrophobicContact CG1-CE 3.94Å; V833-M906 HydrophobicContact CG1-SD 3.85Å; A834-M906 HydrophobicContact CB-SD 3.73Å; Y902-M906 HydrophobicContact CD1-CB 4.48Å; Y902-M906 HydrophobicContact CD1-CG 4.37Å; Y902-M906 HydrophobicContact CD2-CG 3.97Å; Y902-M906 HydrophobicContact CE1-CB 4.19Å; Y902-M906 HydrophobicContact CE1-CG 4.21Å; Y902-M906 HydrophobicContact CE2-CE 4.29Å; Y902-M906 HydrophobicContact CE2-CG 3.79Å; Y902-M906 HydrophobicContact CG-CG 4.25Å; Y902-M906 VanDerWaalsContact O-CB 3.28Å; Y902-M906 WeakPolarHBondContact O-CB 3.45Å; Y902-M906 VanDerWaalsContact O-CG 3.3Å; Y902-M906 WeakPolarHBondContact O-CG 3.45Å; Y902-M906 PolarHBondContact O-N 3.36Å |
| 907 | S | 76.4 | Confident | 67.6 | Low | 30 Ų | 30 | 62.3 Ų | 62.3 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | trans | -86.8 | 131.4 | 178.4 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | V836 R838 S903 E909 | V836-S907 WeakPolarHBondContact CG1-O 3.42Å; R838-S907 PolarHBondContact NH1-O 3.28Å; R838-S907 PolarHBondContact NH2-O 2.93Å; S903-S907 WeakPolarHBondContact O-CB 3.37Å; S903-S907 PolarHBondContact O-N 3.02Å; S907-E909 VanDerWaalsContact C-N 3.27Å; S907-E909 PolarHBondContact O-N 3.04Å; S907-E909 WeakPolarHBondContact OG-CB 3.3Å; S907-E909 PolarHBondContact OG-N 2.82Å; S907-E909 PolarHBondContact OG-OE2 2.69Å | ||
| 908 | N | 73.3 | Confident | 65.9 | Low | 118 Ų | 118 | 62.5 Ų | 62.5 | 63% | 0.631 | 32% | 0.318 | S | S | * | . | trans | -77.4 | -9.4 | 173.8 | -72.3 | -15.1 | 0 | 0 | 0 | 113.8 | K835 | K835-N908 PolarHBondContact O-OD1 3.47Š| ||
| 909 | E | 68.6 | Low | 64.1 | Low | 109 Ų | 109 | 62.6 Ų | 62.6 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -66.6 | 150.1 | 176.5 | -63.3 | 170.7 | 134.1 | 0 | 0 | 110.9 | R838 S907 F911 I915 | R838-E909 PolarHBondContact NH1-O 3.21Å; S907-E909 VanDerWaalsContact C-N 3.27Å; S907-E909 PolarHBondContact O-N 3.04Å; S907-E909 WeakPolarHBondContact OG-CB 3.3Å; S907-E909 PolarHBondContact OG-N 2.82Å; S907-E909 PolarHBondContact OG-OE2 2.69Å; E909-F911 PolarHBondContact O-N 3.5Å; E909-I915 WeakPolarHBondContact OE2-CD1 3.41Å |
| 910 | P | 62.7 | Low | 62.3 | Low | 75 Ų | 75 | 60.8 Ų | 60.8 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | trans | -58.3 | 137.5 | 174 | 26 | -34.7 | 0 | 0 | 0 | 110.2 | N912 | P910-N912 PolarHBondContact O-N 2.85Š| ||
| 911 | F | 65.5 | Low | 60.2 | Low | 9 Ų | 9 | 61.1 Ų | 61.1 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -81.5 | 48.1 | -174.9 | -167.3 | -103.3 | 0 | 0 | 0 | 112.1 | E842 V845 L846 L900 F904 E909 T913 | E842-F911 HydrophobicContact CB-CB 4.01Å; E842-F911 HydrophobicContact CB-CD1 4.21Å; E842-F911 HydrophobicContact CG-CB 3.85Å; E842-F911 PolarHBondContact OE1-N 3.35Å; V845-F911 HydrophobicContact CG1-CD1 4.26Å; V845-F911 HydrophobicContact CG1-CE1 4.07Å; L846-F911 HydrophobicContact CB-CE1 4.01Å; L846-F911 HydrophobicContact CB-CZ 4.47Å; L846-F911 HydrophobicContact CD1-CE1 4.43Å; L846-F911 HydrophobicContact CD1-CZ 4.05Å; L900-F911 HydrophobicContact CD1-CE2 4.28Å; L900-F911 HydrophobicContact CD1-CZ 3.73Å; L900-F911 HydrophobicContact CG-CZ 4.33Å; F904-F911 HydrophobicContact CB-CD2 4.2Å; F904-F911 HydrophobicContact CB-CE2 3.78Å; F904-F911 HydrophobicContact CB-CZ 4.13Å; F904-F911 HydrophobicContact CD2-CB 4.41Å; F904-F911 AromaticContact CD2-CD1 3.7Å; F904-F911 HydrophobicContact CD2-CD1 3.7Å; F904-F911 AromaticContact CD2-CD2 3.86Å; F904-F911 HydrophobicContact CD2-CD2 3.86Å; F904-F911 AromaticContact CD2-CE1 3.78Å; F904-F911 HydrophobicContact CD2-CE1 3.78Å; F904-F911 AromaticContact CD2-CE2 3.93Å; F904-F911 HydrophobicContact CD2-CE2 3.93Å; F904-F911 AromaticContact CD2-CG 3.74Å; F904-F911 HydrophobicContact CD2-CG 3.74Å; F904-F911 AromaticContact CD2-CZ 3.88Å; F904-F911 HydrophobicContact CD2-CZ 3.88Å; F904-F911 HydrophobicContact CE2-CD1 4.13Å; F904-F911 HydrophobicContact CE2-CE1 4.45Å; F904-F911 HydrophobicContact CE2-CG 4.34Å; F904-F911 HydrophobicContact CG-CD2 4.49Å; F904-F911 HydrophobicContact CG-CE2 4.37Å; E909-F911 PolarHBondContact O-N 3.5Å; F911-T913 HydrophobicContact CD1-CG2 4.36Å; F911-T913 HydrophobicContact CE1-CG2 4.01Å; F911-T913 HydrophobicContact CE2-CG2 4.44Å; F911-T913 HydrophobicContact CZ-CG2 4.07Å |
| 912 | N | 56.3 | Low | 58.1 | Low | 101 Ų | 101 | 64.5 Ų | 64.5 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | trans | -81 | 120.6 | 157.2 | -58.5 | -22 | 0 | 0 | 0 | 106.1 | P910 N914 | P910-N912 PolarHBondContact O-N 2.85Å; N912-N914 WeakPolarHBondContact CB-OD1 3.41Å; N912-N914 PolarHBondContact O-N 3.41Å | ||
| 913 | T | 46.1 | Very low | 56 | Low | 14 Ų | 14 | 61.4 Ų | 61.4 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | trans | -80 | 36.3 | -166.9 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | V845 K849 F911 I915 F916 E917 | V845-T913 HydrophobicContact CG1-CG2 4.21Å; K849-T913 HydrophobicContact CD-CG2 4.01Å; K849-T913 WeakPolarHBondContact CE-OG1 3.43Å; K849-T913 PolarHBondContact NZ-OG1 3.45Å; F911-T913 HydrophobicContact CD1-CG2 4.36Å; F911-T913 HydrophobicContact CE1-CG2 4.01Å; F911-T913 HydrophobicContact CE2-CG2 4.44Å; F911-T913 HydrophobicContact CZ-CG2 4.07Å; T913-I915 PolarHBondContact O-N 2.83Å; T913-F916 CarbonylContact O-C 3.58Å; T913-F916 VanDerWaalsContact O-C 3.31Å; T913-F916 PolarHBondContact O-N 3.29Å; T913-F916 VanDerWaalsContact O-N 3.11Å; T913-E917 WeakPolarHBondContact O-CB 3.39Å; T913-E917 PolarHBondContact O-N 2.97Å | ||
| 914 | N | 44 | Very low | 54.1 | Low | 102 Ų | 102 | 62.5 Ų | 62.5 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -64.8 | -17 | -178.2 | -64.2 | 81.7 | 0 | 0 | 0 | 113.4 | N912 E917 | N912-N914 WeakPolarHBondContact CB-OD1 3.41Å; N912-N914 PolarHBondContact O-N 3.41Å; N914-E917 WeakPolarHBondContact CA-OE2 3.13Å; N914-E917 PolarHBondContact ND2-OE2 2.92Å; N914-E917 WeakPolarHBondContact O-CB 3.36Å |
| 915 | I | 41.6 | Very low | 52.1 | Low | 121 Ų | 121 | 69.4 Ų | 69.4 | 62% | 0.621 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -91.9 | -16 | 177.9 | -58.5 | 173.7 | 0 | 0 | 0 | 112.1 | E909 T913 | E909-I915 WeakPolarHBondContact OE2-CD1 3.41Å; T913-I915 PolarHBondContact O-N 2.83Å |
| 916 | F | 34.5 | Very low | 50 | Low | 89 Ų | 89 | 71 Ų | 71 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -113.6 | 45.8 | 165.1 | -80.6 | -79.5 | 0 | 0 | 0 | 110.1 | K899 T913 | K899-F916 HydrophobicContact CD-CE1 4.23Å; K899-F916 HydrophobicContact CD-CZ 3.62Å; K899-F916 HydrophobicContact CG-CE2 4.42Å; K899-F916 HydrophobicContact CG-CZ 3.87Å; T913-F916 CarbonylContact O-C 3.58Å; T913-F916 VanDerWaalsContact O-C 3.31Å; T913-F916 PolarHBondContact O-N 3.29Å; T913-F916 VanDerWaalsContact O-N 3.11Å |
| 917 | E | 37.4 | Very low | 48 | Very low | 76 Ų | 76 | 70.2 Ų | 70.2 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | trans | -108.5 | 17.8 | -173.4 | -130.5 | 162.4 | -140.2 | 0 | 0 | 115.8 | T913 N914 N919 | T913-E917 WeakPolarHBondContact O-CB 3.39Å; T913-E917 PolarHBondContact O-N 2.97Å; N914-E917 WeakPolarHBondContact CA-OE2 3.13Å; N914-E917 PolarHBondContact ND2-OE2 2.92Å; N914-E917 WeakPolarHBondContact O-CB 3.36Å; E917-N919 HydrophobicContact CG-CB 3.7Å; E917-N919 WeakPolarHBondContact CG-ND2 3.38Å; E917-N919 PolarHBondContact O-N 2.86Å; E917-N919 PolarHBondContact OE1-ND2 2.8Å | ||
| 918 | L | 36.6 | Very low | 46.2 | Very low | 120 Ų | 120 | 69.8 Ų | 69.8 | 63% | 0.628 | 36% | 0.364 | S | S | * | . | S | Bend | -58.5 | 76.7 | 121.8 | -73.9 | 178.3 | 0 | 0 | 0 | 107.8 | L920 | L918-L920 PolarHBondContact O-N 3.03Š| |
| 919 | N | 38.9 | Very low | 44.7 | Very low | 19 Ų | 19 | 69.7 Ų | 69.7 | 10% | 0.102 | 36% | 0.363 | C | S | . | . | trans | -76.9 | 31.4 | -161.4 | -139.3 | -9.3 | 0 | 0 | 0 | 111.7 | K849 E917 G921 R922 L923 | K849-N919 PolarHBondContact NZ-OD1 3.26Å; E917-N919 HydrophobicContact CG-CB 3.7Å; E917-N919 WeakPolarHBondContact CG-ND2 3.38Å; E917-N919 PolarHBondContact O-N 2.86Å; E917-N919 PolarHBondContact OE1-ND2 2.8Å; N919-G921 VanDerWaalsContact C-N 3.33Å; N919-G921 CarbonylContact O-C 3.31Å; N919-G921 PolarHBondContact O-N 2.93Å; N919-R922 HydrophobicContact CB-CB 4.18Å; N919-R922 CarbonylContact O-C 3.59Å; N919-R922 VanDerWaalsContact O-CA 3.29Å; N919-R922 WeakPolarHBondContact O-CA 3.47Å; N919-R922 WeakPolarHBondContact O-CB 3.46Å; N919-R922 PolarHBondContact O-N 3.5Å; N919-L923 HydrophobicContact CB-CB 4.01Å; N919-L923 HydrophobicContact CB-CD1 4.49Å; N919-L923 PolarHBondContact O-N 2.85Å | ||
| 920 | L | 41.2 | Very low | 43.5 | Very low | 108 Ų | 108 | 71.1 Ų | 71.1 | 57% | 0.565 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -41 | -44.2 | -138.3 | -142.3 | 74.6 | 0 | 0 | 0 | 116.7 | L918 L923 V924 | L918-L920 PolarHBondContact O-N 3.03Å; L920-L923 PolarHBondContact O-N 3.44Å; L920-V924 VanDerWaalsContact O-CB 3.28Å; L920-V924 WeakPolarHBondContact O-CB 3.32Å; L920-V924 WeakPolarHBondContact O-CG2 3.49Å; L920-V924 PolarHBondContact O-N 2.94Å |
| 921 | G | 36.5 | Very low | 42.4 | Very low | 23 Ų | 23 | 68.3 Ų | 68.3 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.9 | -46.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E852 N919 L923 K925 | E852-G921 VanDerWaalsContact OE1-CA 3.3Å; E852-G921 WeakPolarHBondContact OE1-CA 3.49Å; N919-G921 VanDerWaalsContact C-N 3.33Å; N919-G921 CarbonylContact O-C 3.31Å; N919-G921 PolarHBondContact O-N 2.93Å; G921-L923 VanDerWaalsContact C-N 3.29Å; G921-K925 WeakPolarHBondContact O-CB 3.33Å; G921-K925 VanDerWaalsContact O-CG 3.32Å; G921-K925 WeakPolarHBondContact O-CG 3.34Å; G921-K925 PolarHBondContact O-N 3.35Å |
| 922 | R | 39.4 | Very low | 41.3 | Very low | 71 Ų | 71 | 70.8 Ų | 70.8 | 27% | 0.268 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.6 | -21 | 167.1 | -72.2 | -174.3 | 178.8 | -176.1 | -1.8 | 113.4 | E852 N919 S926 | E852-R922 PolarHBondContact OE1-N 3.16Å; N919-R922 HydrophobicContact CB-CB 4.18Å; N919-R922 CarbonylContact O-C 3.59Å; N919-R922 VanDerWaalsContact O-CA 3.29Å; N919-R922 WeakPolarHBondContact O-CA 3.47Å; N919-R922 WeakPolarHBondContact O-CB 3.46Å; N919-R922 PolarHBondContact O-N 3.5Å; R922-S926 WeakPolarHBondContact O-CA 3.41Å; R922-S926 WeakPolarHBondContact O-CB 3.39Å; R922-S926 PolarHBondContact O-N 3.48Å; R922-S926 PolarHBondContact O-OG 3.24Å; R922-S926 VanDerWaalsContact O-OG 3.05Å |
| 923 | L | 39.8 | Very low | 40.9 | Very low | 36 Ų | 36 | 74.3 Ų | 74.3 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.3 | -55.1 | 171.4 | -155.1 | 57.3 | 0 | 0 | 0 | 107.5 | F93 N919 L920 G921 K925 S926 V927 | F93-L923 HydrophobicContact CD1-CD2 4.12Å; F93-L923 HydrophobicContact CE1-CD2 3.44Å; F93-L923 VanDerWaalsContact CE1-CD2 3.44Å; F93-L923 HydrophobicContact CE1-CG 3.84Å; F93-L923 HydrophobicContact CZ-CD2 4.17Å; F93-L923 HydrophobicContact CZ-CG 4.16Å; N919-L923 HydrophobicContact CB-CB 4.01Å; N919-L923 HydrophobicContact CB-CD1 4.49Å; N919-L923 PolarHBondContact O-N 2.85Å; L920-L923 PolarHBondContact O-N 3.44Å; G921-L923 VanDerWaalsContact C-N 3.29Å; L923-K925 PolarHBondContact O-N 2.83Å; L923-S926 CarbonylContact O-C 3.57Å; L923-S926 PolarHBondContact O-N 3.25Å; L923-S926 VanDerWaalsContact O-N 3.13Å; L923-V927 HydrophobicContact CB-CG2 4.4Å; L923-V927 HydrophobicContact CD1-CG2 3.72Å; L923-V927 HydrophobicContact CG-CG2 3.7Å; L923-V927 WeakPolarHBondContact O-CA 3.28Å; L923-V927 WeakPolarHBondContact O-CB 3.28Å; L923-V927 WeakPolarHBondContact O-CG2 3.23Å; L923-V927 PolarHBondContact O-N 3.17Å |
| 924 | V | 45.3 | Very low | 40.9 | Very low | 56 Ų | 56 | 79.7 Ų | 79.7 | 34% | 0.339 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.1 | -22.3 | 171.8 | 167.8 | 0 | 0 | 0 | 0 | 113.8 | L920 P928 F947 | L920-V924 VanDerWaalsContact O-CB 3.28Å; L920-V924 WeakPolarHBondContact O-CB 3.32Å; L920-V924 WeakPolarHBondContact O-CG2 3.49Å; L920-V924 PolarHBondContact O-N 2.94Å; V924-P928 WeakPolarHBondContact O-CD 3.43Å; V924-P928 VanDerWaalsContact O-CG 3.23Å; V924-P928 WeakPolarHBondContact O-CG 3.32Å; V924-F947 HydrophobicContact CB-CE2 4.5Å; V924-F947 HydrophobicContact CG1-CE2 3.67Å; V924-F947 HydrophobicContact CG1-CZ 3.9Å; V924-F947 HydrophobicContact CG2-CE2 3.94Å; V924-F947 HydrophobicContact CG2-CZ 3.85Å |
| 925 | K | 42.8 | Very low | 40.9 | Very low | 145 Ų | 145 | 81.1 Ų | 81.1 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -99.4 | -24.8 | 174.3 | -69.9 | 169.5 | -177.7 | 169.1 | 0 | 115.6 | G921 L923 | G921-K925 WeakPolarHBondContact O-CB 3.33Å; G921-K925 VanDerWaalsContact O-CG 3.32Å; G921-K925 WeakPolarHBondContact O-CG 3.34Å; G921-K925 PolarHBondContact O-N 3.35Å; L923-K925 PolarHBondContact O-N 2.83Å |
| 926 | S | 42 | Very low | 41.1 | Very low | 33 Ų | 33 | 76.4 Ų | 76.4 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -111.3 | 1.7 | 178.5 | 98.3 | 0 | 0 | 0 | 0 | 113.8 | R922 L923 K930 | R922-S926 WeakPolarHBondContact O-CA 3.41Å; R922-S926 WeakPolarHBondContact O-CB 3.39Å; R922-S926 PolarHBondContact O-N 3.48Å; R922-S926 PolarHBondContact O-OG 3.24Å; R922-S926 VanDerWaalsContact O-OG 3.05Å; L923-S926 CarbonylContact O-C 3.57Å; L923-S926 PolarHBondContact O-N 3.25Å; L923-S926 VanDerWaalsContact O-N 3.13Å; S926-K930 WeakPolarHBondContact O-CB 3.1Å; S926-K930 WeakPolarHBondContact O-CG 3.38Å; S926-K930 PolarHBondContact O-N 3.37Å |
| 927 | V | 40.2 | Very low | 41.7 | Very low | 19 Ų | 19 | 77.9 Ų | 77.9 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73 | -52.9 | 160.8 | 169.4 | 0 | 0 | 0 | 0 | 106.8 | F93 L923 L929 K930 L931 L943 | F93-V927 HydrophobicContact CZ-CG2 3.85Å; L923-V927 HydrophobicContact CB-CG2 4.4Å; L923-V927 HydrophobicContact CD1-CG2 3.72Å; L923-V927 HydrophobicContact CG-CG2 3.7Å; L923-V927 WeakPolarHBondContact O-CA 3.28Å; L923-V927 WeakPolarHBondContact O-CB 3.28Å; L923-V927 WeakPolarHBondContact O-CG2 3.23Å; L923-V927 PolarHBondContact O-N 3.17Å; V927-L929 VanDerWaalsContact C-N 3.34Å; V927-L929 PolarHBondContact O-N 3.35Å; V927-K930 PolarHBondContact O-N 2.87Å; V927-L931 HydrophobicContact CG1-CD1 3.37Å; V927-L931 HydrophobicContact CG1-CG 4.1Å; V927-L931 WeakPolarHBondContact O-CB 3.3Å; V927-L931 WeakPolarHBondContact O-CG 3.38Å; V927-L931 PolarHBondContact O-N 2.92Å; V927-L943 HydrophobicContact CG1-CD1 4.02Å |
| 928 | P | 37.9 | Very low | 42.4 | Very low | 22 Ų | 22 | 76.9 Ų | 76.9 | 14% | 0.143 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -43.9 | -56.1 | 160.5 | -32.4 | 37.3 | 0 | 0 | 0 | 113.1 | V924 K930 T932 D940 L943 | V924-P928 WeakPolarHBondContact O-CD 3.43Å; V924-P928 VanDerWaalsContact O-CG 3.23Å; V924-P928 WeakPolarHBondContact O-CG 3.32Å; P928-K930 PolarHBondContact O-N 3.1Å; P928-T932 VanDerWaalsContact O-CB 3.32Å; P928-T932 WeakPolarHBondContact O-CB 3.4Å; P928-T932 VanDerWaalsContact O-CG2 3.29Å; P928-T932 WeakPolarHBondContact O-CG2 3.43Å; P928-T932 PolarHBondContact O-N 3.43Å; P928-T932 PolarHBondContact O-OG1 2.97Å; P928-D940 VanDerWaalsContact CA-OD1 3.31Å; P928-D940 WeakPolarHBondContact CA-OD1 3.46Å; P928-D940 WeakPolarHBondContact CB-OD1 3.4Å; P928-D940 VanDerWaalsContact CG-OD1 3.28Å; P928-D940 WeakPolarHBondContact CG-OD1 3.32Å; P928-L943 HydrophobicContact CG-CD1 4.12Å |
| 929 | L | 42.4 | Very low | 43.2 | Very low | 115 Ų | 115 | 72.3 Ų | 72.3 | 60% | 0.602 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -76.3 | -12 | -172.9 | -128.2 | 76.3 | 0 | 0 | 0 | 116.4 | V927 T932 | V927-L929 VanDerWaalsContact C-N 3.34Å; V927-L929 PolarHBondContact O-N 3.35Å; L929-T932 WeakPolarHBondContact CA-OG1 3.49Å |
| 930 | K | 42 | Very low | 43.9 | Very low | 140 Ų | 140 | 75 Ų | 75 | 61% | 0.609 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -98.4 | -40.2 | 171 | -74.8 | 179.4 | 176.1 | -169.9 | 0 | 111.2 | S926 V927 P928 K933 E934 | S926-K930 WeakPolarHBondContact O-CB 3.1Å; S926-K930 WeakPolarHBondContact O-CG 3.38Å; S926-K930 PolarHBondContact O-N 3.37Å; V927-K930 PolarHBondContact O-N 2.87Å; P928-K930 PolarHBondContact O-N 3.1Å; K930-K933 CarbonylContact O-C 3.59Å; K930-K933 WeakPolarHBondContact O-CA 3.36Å; K930-K933 PolarHBondContact O-N 3.08Å; K930-E934 PolarHBondContact O-N 2.99Å |
| 931 | L | 40.3 | Very low | 44.5 | Very low | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.9 | -36.3 | 176.7 | -64.2 | 174.5 | 0 | 0 | 0 | 111.9 | V927 K933 E934 G936 L939 | V927-L931 HydrophobicContact CG1-CD1 3.37Å; V927-L931 HydrophobicContact CG1-CG 4.1Å; V927-L931 WeakPolarHBondContact O-CB 3.3Å; V927-L931 WeakPolarHBondContact O-CG 3.38Å; V927-L931 PolarHBondContact O-N 2.92Å; L931-K933 PolarHBondContact O-N 3.16Å; L931-E934 CarbonylContact O-C 3.56Å; L931-E934 PolarHBondContact O-N 3.16Å; L931-G936 WeakPolarHBondContact CB-O 3.45Å; L931-G936 CarbonylContact O-C 3.38Å; L931-G936 VanDerWaalsContact O-C 3.23Å; L931-G936 WeakPolarHBondContact O-CA 3.46Å; L931-G936 PolarHBondContact O-N 2.98Å; L931-L939 HydrophobicContact CD1-CB 3.5Å; L931-L939 VanDerWaalsContact CD1-CB 3.5Å; L931-L939 HydrophobicContact CD1-CD1 3.66Å; L931-L939 HydrophobicContact CD1-CD2 4.08Å; L931-L939 HydrophobicContact CD1-CG 3.92Å |
| 932 | T | 42.7 | Very low | 45.3 | Very low | 61 Ų | 61 | 73.8 Ų | 73.8 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.2 | 169.1 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | P928 L929 | P928-T932 VanDerWaalsContact O-CB 3.32Å; P928-T932 WeakPolarHBondContact O-CB 3.4Å; P928-T932 VanDerWaalsContact O-CG2 3.29Å; P928-T932 WeakPolarHBondContact O-CG2 3.43Å; P928-T932 PolarHBondContact O-N 3.43Å; P928-T932 PolarHBondContact O-OG1 2.97Å; L929-T932 WeakPolarHBondContact CA-OG1 3.49Å |
| 933 | K | 48.3 | Very low | 46.2 | Very low | 174 Ų | 174 | 71.8 Ų | 71.8 | 76% | 0.757 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -31.4 | 173.9 | -78.2 | -169.8 | 169.2 | -168.7 | 0 | 114 | K930 L931 | K930-K933 CarbonylContact O-C 3.59Å; K930-K933 WeakPolarHBondContact O-CA 3.36Å; K930-K933 PolarHBondContact O-N 3.08Å; L931-K933 PolarHBondContact O-N 3.16Å |
| 934 | E | 44.3 | Very low | 47 | Very low | 128 Ų | 128 | 72.3 Ų | 72.3 | 60% | 0.598 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | 85.9 | -174.7 | -68.8 | 179.2 | -160.8 | 0 | 0 | 109.9 | K930 L931 G936 | K930-E934 PolarHBondContact O-N 2.99Å; L931-E934 CarbonylContact O-C 3.56Å; L931-E934 PolarHBondContact O-N 3.16Å; E934-G936 PolarHBondContact O-N 2.68Å |
| 935 | K | 44.7 | Very low | 47.6 | Very low | 131 Ų | 131 | 70.7 Ų | 70.7 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | -19.8 | 170.9 | -68.2 | -167.8 | 169.9 | -165.8 | 0 | 119.4 | Q937 H1373 | K935-Q937 PolarHBondContact O-N 2.87Å; K935-H1373 PolarHBondContact NZ-NE2 3.15Å |
| 936 | G | 45.1 | Very low | 48.2 | Very low | 23 Ų | 23 | 69.3 Ų | 69.3 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | trans | -88.7 | 46.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L931 E934 F938 L939 | L931-G936 WeakPolarHBondContact CB-O 3.45Å; L931-G936 CarbonylContact O-C 3.38Å; L931-G936 VanDerWaalsContact O-C 3.23Å; L931-G936 WeakPolarHBondContact O-CA 3.46Å; L931-G936 PolarHBondContact O-N 2.98Å; E934-G936 PolarHBondContact O-N 2.68Å; G936-F938 PolarHBondContact O-N 3.37Å; G936-L939 PolarHBondContact O-N 2.93Å | ||
| 937 | Q | 48.5 | Very low | 49 | Very low | 119 Ų | 119 | 72.4 Ų | 72.4 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -3.4 | -161.2 | -70.6 | -176 | -20.3 | 0 | 0 | 118.5 | K935 | K935-Q937 PolarHBondContact O-N 2.87Š|
| 938 | F | 51.8 | Low | 49.9 | Very low | 56 Ų | 56 | 76.7 Ų | 76.7 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | 6.7 | -167.3 | -55.9 | -68.4 | 0 | 0 | 0 | 115.3 | R207 E297 T301 G936 D940 N941 | R207-F938 VanDerWaalsContact NH2-CE1 3.3Å; E297-F938 HydrophobicContact CG-CB 3.6Å; E297-F938 HydrophobicContact CG-CD2 4.49Å; E297-F938 HydrophobicContact CG-CG 4.42Å; E297-F938 WeakPolarHBondContact OE1-CD2 3.4Å; E297-F938 WeakPolarHBondContact OE2-CB 3.34Å; T301-F938 HydrophobicContact CG2-CD2 3.96Å; T301-F938 HydrophobicContact CG2-CE2 3.81Å; G936-F938 PolarHBondContact O-N 3.37Å; F938-D940 PolarHBondContact O-N 3.05Å; F938-D940 VanDerWaalsContact O-N 3.1Å; F938-N941 PolarHBondContact O-N 3.41Å |
| 939 | L | 52.7 | Low | 50.7 | Low | 23 Ų | 23 | 78.6 Ų | 78.6 | 12% | 0.12 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68 | -13 | -174.4 | -135 | 142.6 | 0 | 0 | 0 | 113.3 | L931 G936 N941 F942 L943 | L931-L939 HydrophobicContact CD1-CB 3.5Å; L931-L939 VanDerWaalsContact CD1-CB 3.5Å; L931-L939 HydrophobicContact CD1-CD1 3.66Å; L931-L939 HydrophobicContact CD1-CD2 4.08Å; L931-L939 HydrophobicContact CD1-CG 3.92Å; G936-L939 PolarHBondContact O-N 2.93Å; L939-N941 PolarHBondContact O-N 2.77Å; L939-F942 HydrophobicContact CD2-CB 4.26Å; L939-F942 HydrophobicContact CD2-CD1 3.56Å; L939-F942 HydrophobicContact CD2-CE1 4.37Å; L939-F942 HydrophobicContact CD2-CG 4.28Å; L939-F942 HydrophobicContact CG-CB 4.5Å; L939-F942 WeakPolarHBondContact O-CB 3.46Å; L939-F942 PolarHBondContact O-N 3.29Å; L939-F942 VanDerWaalsContact O-N 3.16Å; L939-L943 HydrophobicContact CD2-CG 4.17Å; L939-L943 WeakPolarHBondContact O-CG 3.28Å; L939-L943 PolarHBondContact O-N 3.37Å |
| 940 | D | 53.2 | Low | 50.9 | Low | 75 Ų | 75 | 76.4 Ų | 76.4 | 40% | 0.401 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -54.5 | -35.9 | 173.7 | -68.2 | -4.3 | 0 | 0 | 0 | 113.2 | P928 F938 L943 S944 | P928-D940 VanDerWaalsContact CA-OD1 3.31Å; P928-D940 WeakPolarHBondContact CA-OD1 3.46Å; P928-D940 WeakPolarHBondContact CB-OD1 3.4Å; P928-D940 VanDerWaalsContact CG-OD1 3.28Å; P928-D940 WeakPolarHBondContact CG-OD1 3.32Å; F938-D940 PolarHBondContact O-N 3.05Å; F938-D940 VanDerWaalsContact O-N 3.1Å; D940-L943 PolarHBondContact O-N 3.47Å; D940-S944 PolarHBondContact O-N 2.87Å |
| 941 | N | 54.9 | Low | 51 | Low | 70 Ų | 70 | 76 Ų | 76 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -86.4 | -20.3 | -179.3 | -145.8 | 53.9 | 0 | 0 | 0 | 113.8 | F938 L939 S944 T945 Y1050 | F938-N941 PolarHBondContact O-N 3.41Å; L939-N941 PolarHBondContact O-N 2.77Å; N941-S944 WeakPolarHBondContact CA-OG 3.35Å; N941-S944 PolarHBondContact O-OG 3.15Å; N941-S944 VanDerWaalsContact O-OG 3.13Å; N941-S944 PolarHBondContact OD1-OG 3.04Å; N941-T945 WeakPolarHBondContact O-CB 3.41Å; N941-T945 PolarHBondContact O-N 3.28Å; N941-T945 PolarHBondContact O-OG1 3.08Å; N941-Y1050 VanDerWaalsContact ND2-CE1 3.27Å; N941-Y1050 WeakPolarHBondContact ND2-CE1 3.34Å; N941-Y1050 PolarHBondContact ND2-OH 3.29Å |
| 942 | F | 52.8 | Low | 50.9 | Low | 36 Ų | 36 | 81 Ų | 81 | 16% | 0.158 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 159.5 | 167.2 | -100.4 | 0 | 0 | 0 | 109.7 | S290 F294 L939 S944 T945 Y946 | S290-F942 WeakPolarHBondContact O-CD2 3.37Å; F294-F942 HydrophobicContact CB-CD2 3.75Å; F294-F942 HydrophobicContact CB-CE2 4.29Å; F294-F942 HydrophobicContact CB-CG 4.46Å; F294-F942 HydrophobicContact CD2-CB 4.45Å; F294-F942 HydrophobicContact CD2-CD2 4.09Å; F294-F942 HydrophobicContact CD2-CG 4.15Å; F294-F942 HydrophobicContact CG-CD2 4.18Å; F294-F942 HydrophobicContact CG-CE2 4.49Å; L939-F942 HydrophobicContact CD2-CB 4.26Å; L939-F942 HydrophobicContact CD2-CD1 3.56Å; L939-F942 HydrophobicContact CD2-CE1 4.37Å; L939-F942 HydrophobicContact CD2-CG 4.28Å; L939-F942 HydrophobicContact CG-CB 4.5Å; L939-F942 WeakPolarHBondContact O-CB 3.46Å; L939-F942 PolarHBondContact O-N 3.29Å; L939-F942 VanDerWaalsContact O-N 3.16Å; F942-S944 PolarHBondContact O-N 2.98Å; F942-T945 PolarHBondContact O-N 3.31Å; F942-Y946 HydrophobicContact CE1-CG 4.47Å; F942-Y946 HydrophobicContact CZ-CD2 4.05Å; F942-Y946 HydrophobicContact CZ-CG 4.27Å; F942-Y946 WeakPolarHBondContact O-CB 3.32Å; F942-Y946 PolarHBondContact O-N 3.14Å |
| 943 | L | 58.6 | Low | 50.6 | Low | 29 Ų | 29 | 86.4 Ų | 86.4 | 15% | 0.152 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | -178.5 | -69.7 | 172 | 0 | 0 | 0 | 112.2 | V927 P928 L939 D940 Y946 F947 | V927-L943 HydrophobicContact CG1-CD1 4.02Å; P928-L943 HydrophobicContact CG-CD1 4.12Å; L939-L943 HydrophobicContact CD2-CG 4.17Å; L939-L943 WeakPolarHBondContact O-CG 3.28Å; L939-L943 PolarHBondContact O-N 3.37Å; D940-L943 PolarHBondContact O-N 3.47Å; L943-Y946 PolarHBondContact O-N 3.28Å; L943-F947 WeakPolarHBondContact O-CB 3.13Å; L943-F947 VanDerWaalsContact O-CD2 3.3Å; L943-F947 WeakPolarHBondContact O-CD2 3.23Å; L943-F947 PolarHBondContact O-N 3.39Å |
| 944 | S | 57.3 | Low | 49.8 | Very low | 47 Ų | 47 | 83.5 Ų | 83.5 | 33% | 0.329 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 176.5 | 69 | 0 | 0 | 0 | 0 | 111.7 | D940 N941 F942 F947 L948 | D940-S944 PolarHBondContact O-N 2.87Å; N941-S944 WeakPolarHBondContact CA-OG 3.35Å; N941-S944 PolarHBondContact O-OG 3.15Å; N941-S944 VanDerWaalsContact O-OG 3.13Å; N941-S944 PolarHBondContact OD1-OG 3.04Å; F942-S944 PolarHBondContact O-N 2.98Å; S944-F947 PolarHBondContact O-N 3.31Å; S944-L948 WeakPolarHBondContact O-CG 3.14Å; S944-L948 PolarHBondContact O-N 2.93Å |
| 945 | T | 57.1 | Low | 49 | Very low | 22 Ų | 22 | 85.6 Ų | 85.6 | 14% | 0.135 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68 | -37 | 179.4 | -45 | 0 | 0 | 0 | 0 | 111.2 | P289 S290 N941 F942 L948 S949 | P289-T945 HydrophobicContact CB-CG2 3.98Å; P289-T945 HydrophobicContact CG-CG2 3.95Å; S290-T945 VanDerWaalsContact OG-C 3.22Å; S290-T945 WeakPolarHBondContact OG-CG2 3.43Å; S290-T945 PolarHBondContact OG-O 2.74Å; N941-T945 WeakPolarHBondContact O-CB 3.41Å; N941-T945 PolarHBondContact O-N 3.28Å; N941-T945 PolarHBondContact O-OG1 3.08Å; F942-T945 PolarHBondContact O-N 3.31Å; T945-L948 PolarHBondContact O-N 3.2Å; T945-S949 WeakPolarHBondContact O-CB 3.16Å; T945-S949 PolarHBondContact O-N 3.02Å; T945-S949 PolarHBondContact O-OG 2.86Å |
| 946 | Y | 55.3 | Low | 48.3 | Very low | 116 Ų | 116 | 87.7 Ų | 87.7 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 173.5 | -176.9 | -102.8 | 0 | 0 | 0 | 111.3 | S290 F942 L943 L948 S949 C950 | S290-Y946 PolarHBondContact OG-N 3.32Å; F942-Y946 HydrophobicContact CE1-CG 4.47Å; F942-Y946 HydrophobicContact CZ-CD2 4.05Å; F942-Y946 HydrophobicContact CZ-CG 4.27Å; F942-Y946 WeakPolarHBondContact O-CB 3.32Å; F942-Y946 PolarHBondContact O-N 3.14Å; L943-Y946 PolarHBondContact O-N 3.28Å; Y946-L948 VanDerWaalsContact C-N 3.29Å; Y946-L948 PolarHBondContact O-N 2.81Å; Y946-S949 WeakPolarHBondContact CA-OG 3.41Å; Y946-S949 CarbonylContact O-C 3.34Å; Y946-S949 PolarHBondContact O-N 3.42Å; Y946-S949 VanDerWaalsContact O-N 3.08Å; Y946-S949 PolarHBondContact O-OG 2.92Å; Y946-C950 VanDerWaalsContact CZ-SG 3.5Å; Y946-C950 WeakPolarHBondContact O-CB 3.45Å; Y946-C950 PolarHBondContact O-N 3.33Å; Y946-C950 PolarHBondContact O-SG 3.34Å; Y946-C950 VanDerWaalsContact O-SG 3.35Å |
| 947 | F | 58.9 | Low | 47.3 | Very low | 98 Ų | 98 | 90.6 Ų | 90.6 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 174.8 | -96.4 | -72 | 0 | 0 | 0 | 112.9 | V924 L943 S944 C950 H951 | V924-F947 HydrophobicContact CB-CE2 4.5Å; V924-F947 HydrophobicContact CG1-CE2 3.67Å; V924-F947 HydrophobicContact CG1-CZ 3.9Å; V924-F947 HydrophobicContact CG2-CE2 3.94Å; V924-F947 HydrophobicContact CG2-CZ 3.85Å; L943-F947 WeakPolarHBondContact O-CB 3.13Å; L943-F947 VanDerWaalsContact O-CD2 3.3Å; L943-F947 WeakPolarHBondContact O-CD2 3.23Å; L943-F947 PolarHBondContact O-N 3.39Å; S944-F947 PolarHBondContact O-N 3.31Å; F947-C950 PolarHBondContact O-N 3.26Å; F947-H951 PolarHBondContact O-N 3.17Å; F947-H951 PolarHBondContact O-ND1 3.47Å |
| 948 | L | 58.9 | Low | 46.3 | Very low | 110 Ų | 110 | 92 Ų | 92 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 174.1 | -70.4 | 167.2 | 0 | 0 | 0 | 111.8 | S944 T945 Y946 C950 H951 | S944-L948 WeakPolarHBondContact O-CG 3.14Å; S944-L948 PolarHBondContact O-N 2.93Å; T945-L948 PolarHBondContact O-N 3.2Å; Y946-L948 VanDerWaalsContact C-N 3.29Å; Y946-L948 PolarHBondContact O-N 2.81Å; L948-C950 VanDerWaalsContact C-N 3.32Å; L948-C950 PolarHBondContact O-N 3.38Å; L948-H951 PolarHBondContact O-N 3.09Å |
| 949 | S | 54.1 | Low | 45.1 | Very low | 62 Ų | 62 | 96.7 Ų | 96.7 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72 | -21.2 | 176.9 | 66 | 0 | 0 | 0 | 0 | 114.3 | S290 T945 Y946 | S290-S949 PolarHBondContact OG-OG 2.93Å; T945-S949 WeakPolarHBondContact O-CB 3.16Å; T945-S949 PolarHBondContact O-N 3.02Å; T945-S949 PolarHBondContact O-OG 2.86Å; Y946-S949 WeakPolarHBondContact CA-OG 3.41Å; Y946-S949 CarbonylContact O-C 3.34Å; Y946-S949 PolarHBondContact O-N 3.42Å; Y946-S949 VanDerWaalsContact O-N 3.08Å; Y946-S949 PolarHBondContact O-OG 2.92Å |
| 950 | C | 47.4 | Very low | 43.9 | Very low | 68 Ų | 68 | 101.5 Ų | 101.5 | 46% | 0.459 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.5 | 175.5 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | Y946 F947 L948 | Y946-C950 VanDerWaalsContact CZ-SG 3.5Å; Y946-C950 WeakPolarHBondContact O-CB 3.45Å; Y946-C950 PolarHBondContact O-N 3.33Å; Y946-C950 PolarHBondContact O-SG 3.34Å; Y946-C950 VanDerWaalsContact O-SG 3.35Å; F947-C950 PolarHBondContact O-N 3.26Å; L948-C950 VanDerWaalsContact C-N 3.32Å; L948-C950 PolarHBondContact O-N 3.38Å |
| 951 | H | 43.6 | Very low | 42.7 | Very low | 131 Ų | 131 | 103.4 Ų | 103.4 | 61% | 0.606 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -87.7 | 123.1 | 165.2 | -82.5 | 52.9 | 0 | 0 | 0 | 108.9 | F947 L948 Q953 | F947-H951 PolarHBondContact O-N 3.17Å; F947-H951 PolarHBondContact O-ND1 3.47Å; L948-H951 PolarHBondContact O-N 3.09Å; H951-Q953 PolarHBondContact O-N 2.98Å; H951-Q953 VanDerWaalsContact O-N 3.09Å |
| 952 | P | 39.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 106 Ų | 106 | 79% | 0.792 | 58% | 0.579 | S | S | * | * | trans | -65.5 | 114.2 | 172 | 27.6 | -32.5 | 0 | 0 | 0 | 108.5 | ||||
| 953 | Q | 35 | Very low | 40.3 | Very low | 174 Ų | 174 | 109.1 Ų | 109.1 | 81% | 0.813 | 61% | 0.605 | S | S | * | * | trans | -61.8 | 136.5 | 164.7 | -66.7 | -172.7 | 2 | 0 | 0 | 108.1 | H951 M955 | H951-Q953 PolarHBondContact O-N 2.98Å; H951-Q953 VanDerWaalsContact O-N 3.09Å; Q953-M955 PolarHBondContact O-N 3.32Å | ||
| 954 | P | 32 | Very low | 38.8 | Very low | 114 Ų | 114 | 114.8 Ų | 114.8 | 74% | 0.74 | 63% | 0.634 | S | S | * | * | trans | -61.8 | 132.3 | 174.9 | 27 | -33.5 | 0 | 0 | 0 | 109.1 | E956 | P954-E956 PolarHBondContact O-N 3.29Š| ||
| 955 | M | 27.8 | Very low | 37.4 | Very low | 171 Ų | 171 | 119.1 Ų | 119.1 | 84% | 0.842 | 65% | 0.653 | S | S | * | * | trans | -69.6 | 100.1 | 172.3 | -71.4 | 175.6 | 61.9 | 0 | 0 | 109.1 | Q953 C957 | Q953-M955 PolarHBondContact O-N 3.32Å; M955-C957 PolarHBondContact O-N 2.98Å; M955-C957 VanDerWaalsContact O-N 3.08Å | ||
| 956 | E | 29.2 | Very low | 36.2 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -71.1 | 96.4 | 159.9 | -70.9 | -171.5 | 130 | 0 | 0 | 107.8 | P954 D958 | P954-E956 PolarHBondContact O-N 3.29Å; E956-D958 PolarHBondContact O-N 3.09Å; E956-D958 VanDerWaalsContact O-N 3.13Å | ||
| 957 | C | 24.9 | Very low | 34.9 | Very low | 83 Ų | 83 | 128.6 Ų | 128.6 | 56% | 0.561 | 70% | 0.703 | S | S | * | * | trans | -73.9 | 95.4 | 170.7 | -69.4 | 0 | 0 | 0 | 0 | 109.2 | M955 N959 | M955-C957 PolarHBondContact O-N 2.98Å; M955-C957 VanDerWaalsContact O-N 3.08Å; C957-N959 VanDerWaalsContact C-N 3.34Å; C957-N959 PolarHBondContact O-N 3.39Å | ||
| 958 | D | 28.4 | Very low | 33.4 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -64.3 | 91.4 | 173.5 | -85.5 | -31.4 | 0 | 0 | 0 | 111.2 | E956 T960 | E956-D958 PolarHBondContact O-N 3.09Å; E956-D958 VanDerWaalsContact O-N 3.13Å; D958-T960 PolarHBondContact O-N 3.37Å | ||
| 959 | N | 25.7 | Very low | 32 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | trans | -75.2 | 83.4 | 179.7 | -76.2 | -32.1 | 0 | 0 | 0 | 111.7 | C957 | C957-N959 VanDerWaalsContact C-N 3.34Å; C957-N959 PolarHBondContact O-N 3.39Å | ||
| 960 | T | 27.8 | Very low | 31 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | -101.7 | 118.7 | 157.7 | 65 | 0 | 0 | 0 | 0 | 107.7 | D958 | D958-T960 PolarHBondContact O-N 3.37Š| ||
| 961 | T | 27.6 | Very low | 29.9 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | S | Bend | cis | -155.5 | 173.2 | 24.5 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 962 | T | 27.6 | Very low | 29.1 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 83.5 | 144 | 160.3 | 66.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 963 | S | 29.6 | Very low | 28.6 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 56.8 | 99.6 | -178.4 | 40.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 964 | I | 27.9 | Very low | 28.4 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 81.2 | 111 | 73.7 | -70.8 | 162.1 | 0 | 0 | 0 | 111.8 | |||||
| 965 | N | 27.1 | Very low | 28 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 54.8 | 125.7 | 161.5 | -52.5 | 0.5 | 0 | 0 | 0 | 116.3 | ||||
| 966 | D | 33.1 | Very low | 28.1 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | cis | -140.7 | 176.9 | 48.3 | -86.7 | -42.8 | 0 | 0 | 0 | 115.3 | ||||
| 967 | F | 27.5 | Very low | 28 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -82.1 | 160.5 | -172.3 | -100.6 | -132.1 | 0 | 0 | 0 | 115.2 | ||||
| 968 | E | 27.8 | Very low | 28 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 46.4 | 115.7 | 147.8 | -64.9 | 174.9 | 134.8 | 0 | 0 | 120.3 | ||||
| 969 | M | 29 | Very low | 27.9 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | -163.5 | 127 | 111.5 | -165.3 | 150.7 | 54.7 | 0 | 0 | 114 | |||||
| 970 | I | 32 | Very low | 27.9 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 56 | 97.9 | 159.4 | -61.9 | 164.4 | 0 | 0 | 0 | 118.6 | ||||
| 971 | R | 25.1 | Very low | 27.8 | Very low | 245 Ų | 245 | 146 Ų | 146 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -82.1 | 134.6 | 142.3 | 159.1 | -164.8 | -86.9 | 177.2 | -6.7 | 108.8 | ||||
| 972 | S | 27.5 | Very low | 27.6 | Very low | 84 Ų | 84 | 148.9 Ų | 148.9 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | 173 | 153.9 | 136.4 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 973 | K | 28.9 | Very low | 27.5 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 70.8 | 133.9 | 173.1 | -54.8 | 171.5 | -172.4 | 174.4 | 0 | 114.7 | ||||
| 974 | S | 30.4 | Very low | 27.4 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | -153.5 | 129 | -2.9 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 975 | L | 23.7 | Very low | 27.2 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -94.7 | 178.2 | 150.5 | -141.8 | 80.1 | 0 | 0 | 0 | 108.8 | ||||
| 976 | S | 28.6 | Very low | 27.2 | Very low | 103 Ų | 103 | 153.5 Ų | 153.5 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 75.8 | 145.1 | -176.9 | 84.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 977 | I | 28.2 | Very low | 26.7 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | cis | -148.3 | 163.7 | 0.9 | -131.1 | 159.7 | 0 | 0 | 0 | 110.9 | ||||
| 978 | Y | 24.6 | Very low | 26.8 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -87.7 | -178.8 | 178.7 | -104.6 | -99.9 | 0 | 0 | 0 | 112.6 | ||||
| 979 | S | 26.9 | Very low | 26.6 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 63.2 | 94.4 | 157.6 | 53 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 980 | T | 24.2 | Very low | 26.4 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | 51.3 | 134.6 | 117.2 | 54.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 981 | T | 25.6 | Very low | 26.2 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | 71.4 | 103.7 | 143.4 | 50.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 982 | E | 24.8 | Very low | 26.5 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | 79.5 | 158.8 | 127.5 | -63.4 | -171.3 | 155.5 | 0 | 0 | 121.5 | |||||
| 983 | T | 26 | Very low | 26.4 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 63.2 | 107.2 | 176.5 | 46.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 984 | D | 26 | Very low | 26.3 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | 69.7 | 116.3 | 130.7 | -52.1 | -18.4 | 0 | 0 | 0 | 120.5 | ||||
| 985 | A | 24 | Very low | 26.2 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -80.1 | 134 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 986 | Y | 26.8 | Very low | 26.5 | Very low | 242 Ų | 242 | 135.7 Ų | 135.7 | 95% | 0.949 | 76% | 0.756 | S | S | * | * | trans | -154.2 | 160.4 | 133.5 | -101 | -64.6 | 0 | 0 | 0 | 111.3 | ||||
| 987 | S | 23.5 | Very low | 26.6 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -104.9 | 117.6 | -163.7 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 988 | A | 28.3 | Very low | 26.6 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | -164.7 | 134 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 989 | S | 23.5 | Very low | 26.8 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | cis | 54.4 | 81.7 | 21.6 | -171.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 990 | Y | 25.6 | Very low | 27 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | 177.7 | 150.1 | 114.2 | -104.2 | -69.6 | 0 | 0 | 0 | 112.1 | |||||
| 991 | N | 28.1 | Very low | 27.2 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 68.1 | 152.3 | 149.2 | -69.6 | -20.5 | 0 | 0 | 0 | 118.7 | ||||
| 992 | S | 30.4 | Very low | 27.3 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | -152.1 | 142.4 | -3.4 | 153.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 993 | L | 26.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 134 Ų | 134 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | trans | 29.4 | 119.7 | 149.4 | -70.1 | 93.9 | 0 | 0 | 0 | 119.5 | ||||
| 994 | L | 26.7 | Very low | 27.4 | Very low | 144 Ų | 144 | 133 Ų | 133 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | 64.3 | 117.2 | 86.6 | -86.5 | 79.3 | 0 | 0 | 0 | 113.5 | |||||
| 995 | N | 27.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | 98.7 | 170.5 | 55.6 | -164.2 | 16.6 | 0 | 0 | 0 | 111 | |||||
| 996 | T | 30.8 | Very low | 27.9 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | trans | 73.2 | 152.7 | 172.4 | 76.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 997 | T | 31.3 | Very low | 28.2 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | cis | -159.1 | 158 | -7.7 | 8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 998 | N | 27.5 | Very low | 28.7 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | -175.5 | 165.2 | 107.8 | -104.3 | -44.5 | 0 | 0 | 0 | 114.9 | |||||
| 999 | N | 28.8 | Very low | 29 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 66.6 | 109.4 | 178.3 | -59.2 | -9.5 | 0 | 0 | 0 | 113.9 | ||
| 1000 | N | 30.1 | Very low | 29.4 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | S | Bend | cis | -139.2 | 165.7 | 17.6 | -77 | -40 | 0 | 0 | 0 | 114.5 | ||
| 1001 | H | 29.3 | Very low | 29.7 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 78.8 | 97.9 | 169.2 | -75.1 | -80.4 | 0 | 0 | 0 | 120.5 | ||
| 1002 | I | 27.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 68.6 | 87.2 | 134.8 | -52.1 | 166.4 | 0 | 0 | 0 | 116.9 | ||||
| 1003 | S | 26.8 | Very low | 29.7 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | -178.9 | 125.5 | 106.4 | -75.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1004 | S | 26.6 | Very low | 29.7 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | 48.9 | 104.3 | 149.7 | 58 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1005 | T | 30.2 | Very low | 29.8 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | 77.5 | 115.9 | 124.2 | 57.9 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1006 | K | 30.4 | Very low | 29.7 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | 69 | 144.8 | 134.7 | -61.7 | 174.3 | -178.2 | 178.1 | 0 | 117 | ||||
| 1007 | N | 32.8 | Very low | 29.3 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | cis | -171.3 | 169.2 | 8 | -111.1 | 18.3 | 0 | 0 | 0 | 108.1 | ||||
| 1008 | I | 34.8 | Very low | 29.1 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 65% | 0.651 | 74% | 0.739 | S | S | * | * | cis | -169.1 | 147.3 | -23.6 | -129.5 | 177.1 | 0 | 0 | 0 | 108.9 | ||||
| 1009 | I | 33.6 | Very low | 28.9 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 82% | 0.821 | 74% | 0.741 | S | S | * | * | trans | 63.8 | 146.6 | 171.6 | -64.9 | 164.3 | 0 | 0 | 0 | 115.8 | ||||
| 1010 | G | 32.9 | Very low | 28.9 | Very low | 59 Ų | 59 | 131 Ų | 131 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | cis | 136 | 161.9 | 3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1011 | D | 30.6 | Very low | 28.8 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | -172.9 | 171.4 | -9.7 | -112.2 | -65.4 | 0 | 0 | 0 | 111.2 | ||||
| 1012 | T | 31.5 | Very low | 28.7 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | trans | 64 | 165.1 | 164.9 | 53.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1013 | T | 27.1 | Very low | 28.8 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | -167.3 | 167.6 | -58.1 | 28.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 1014 | F | 27.3 | Very low | 28.9 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | trans | 79.3 | 119 | 152.6 | -67.8 | -56 | 0 | 0 | 0 | 124.8 | ||||
| 1015 | H | 28.6 | Very low | 29 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | 52.4 | 129.2 | 132.4 | -76.6 | -49.2 | 0 | 0 | 0 | 125.5 | ||||
| 1016 | S | 25.8 | Very low | 28.9 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | 98.4 | 122.1 | 129.2 | 72.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1017 | S | 22.9 | Very low | 28.7 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | 44.8 | 97.8 | 133.6 | -50.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1018 | S | 26.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | -169.8 | 151.8 | 120.1 | -83.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1019 | T | 23.9 | Very low | 28.1 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -70 | 134.7 | 172.5 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1020 | N | 28.2 | Very low | 27.9 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -170 | 141.5 | 147.1 | -104.9 | -27.5 | 0 | 0 | 0 | 114.8 | ||||
| 1021 | I | 28.6 | Very low | 27.6 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 68% | 0.677 | 75% | 0.745 | S | S | * | * | trans | 62.4 | 100.1 | 135.5 | -64.3 | 167.8 | 0 | 0 | 0 | 119.2 | ||||
| 1022 | L | 25.8 | Very low | 27.4 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | 64.7 | 147.2 | 128.4 | -78 | 155.9 | 0 | 0 | 0 | 123.9 | |||||
| 1023 | Q | 30.3 | Very low | 27.2 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 80.5 | 85.9 | 146.4 | -77.5 | 163.6 | -17 | 0 | 0 | 122.2 | ||||
| 1024 | D | 29.4 | Very low | 27.3 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | 85.8 | 127.5 | 111.4 | -141.8 | 28.6 | 0 | 0 | 0 | 122.4 | |||||
| 1025 | R | 28.1 | Very low | 27.2 | Very low | 193 Ų | 193 | 139 Ų | 139 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | trans | 55.6 | 105.7 | 153 | -79 | 167.4 | 175.6 | 117.8 | -6.7 | 122.7 | ||||
| 1026 | N | 27.4 | Very low | 27.1 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | 43.1 | 122.9 | 115.4 | -53.7 | -18.5 | 0 | 0 | 0 | 120.6 | |||||
| 1027 | L | 27.3 | Very low | 27.1 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | 175 | 154.7 | 103.6 | -94.2 | 168.4 | 0 | 0 | 0 | 115 | |||||
| 1028 | I | 27.4 | Very low | 27.3 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 77.6 | 129 | 148.3 | -74 | 160.4 | 0 | 0 | 0 | 121.6 | ||||
| 1029 | H | 27.9 | Very low | 27.3 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | trans | 55.8 | 131.7 | 163.2 | -89.2 | -121.5 | 0 | 0 | 0 | 120.4 | ||||
| 1030 | K | 28.2 | Very low | 27.3 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | cis | 81.4 | 101.8 | 20.3 | -164.5 | -170.7 | -178.5 | -178.5 | 0 | 116.2 | ||||
| 1031 | S | 26.8 | Very low | 27.1 | Very low | 94 Ų | 94 | 148.6 Ų | 148.6 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | 168.1 | 147.7 | 112.8 | 61.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 1032 | I | 25.8 | Very low | 27.2 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | 66.7 | 115.5 | 150.7 | -60.9 | 152 | 0 | 0 | 0 | 119.3 | ||||
| 1033 | S | 27.8 | Very low | 27.1 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | -174.6 | 129.2 | 106.9 | 67.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1034 | N | 28.9 | Very low | 27 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | 61.5 | 111 | 139.2 | -57.1 | -8.3 | 0 | 0 | 0 | 123.3 | ||||
| 1035 | N | 25.3 | Very low | 27 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | 55.7 | 113.6 | 121.4 | -49.6 | -15.4 | 0 | 0 | 0 | 120.8 | |||||
| 1036 | F | 27.9 | Very low | 26.9 | Very low | 215 Ų | 215 | 149.9 Ų | 149.9 | 94% | 0.943 | 76% | 0.757 | S | S | * | * | -151.6 | 146.4 | 119.7 | -117.3 | -78 | 0 | 0 | 0 | 112.9 | |||||
| 1037 | K | 24.4 | Very low | 27 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 64% | 0.635 | 76% | 0.76 | S | S | * | * | trans | -56.2 | 142.4 | -174.1 | -178.4 | -169.5 | 177.8 | -153.9 | 0 | 115.6 | D1039 | K1037-D1039 WeakPolarHBondContact CE-OD1 3.44Å; K1037-D1039 WeakPolarHBondContact CE-OD2 3.42Å; K1037-D1039 IonicContact NZ-OD1 2.83Å; K1037-D1039 PolarHBondContact NZ-OD1 3.46Å; K1037-D1039 IonicContact NZ-OD2 2.96Å; K1037-D1039 PolarHBondContact NZ-OD2 3.26Å | ||
| 1038 | M | 27.2 | Very low | 27.2 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 86% | 0.862 | 74% | 0.742 | S | S | * | * | trans | -143.1 | 153.3 | 154.6 | -91.7 | -65.6 | 109 | 0 | 0 | 109.7 | ||||
| 1039 | D | 26 | Very low | 27.2 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | trans | -102.5 | 173.9 | -163.3 | -65.4 | -71.5 | 0 | 0 | 0 | 114.3 | K1037 | K1037-D1039 WeakPolarHBondContact CE-OD1 3.44Å; K1037-D1039 WeakPolarHBondContact CE-OD2 3.42Å; K1037-D1039 IonicContact NZ-OD1 2.83Å; K1037-D1039 PolarHBondContact NZ-OD1 3.46Å; K1037-D1039 IonicContact NZ-OD2 2.96Å; K1037-D1039 PolarHBondContact NZ-OD2 3.26Å | ||
| 1040 | T | 25 | Very low | 27.3 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | trans | -94.6 | 137.4 | -159.2 | -33.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1041 | Y | 24.4 | Very low | 27.5 | Very low | 215 Ų | 215 | 140.6 Ų | 140.6 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | 169.3 | 168.3 | 118.2 | -92 | -57.6 | 0 | 0 | 0 | 111.9 | |||||
| 1042 | P | 29.5 | Very low | 27.6 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | trans | -127.1 | -160.6 | -133.2 | 44.4 | -26.6 | 0 | 0 | 0 | 114.9 | ||||
| 1043 | I | 24.3 | Very low | 27.8 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | 106.9 | 161.5 | -178.4 | -58.7 | 161.1 | 0 | 0 | 0 | 111.3 | ||||
| 1044 | D | 27.7 | Very low | 28.2 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | trans | 59.2 | 79 | -177.4 | -71.4 | -2.3 | 0 | 0 | 0 | 118.8 | ||||
| 1045 | K | 28.9 | Very low | 28.2 | Very low | 203 Ų | 203 | 145 Ų | 145 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | trans | -137.3 | 75.7 | 159.3 | -79.7 | -173.2 | 177.9 | 170.4 | 0 | 112.6 | ||||
| 1046 | H | 27.7 | Very low | 28.3 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | trans | -146.1 | 17.6 | 167.3 | -114.3 | -78.6 | 0 | 0 | 0 | 116.7 | ||||
| 1047 | I | 27.9 | Very low | 28.2 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | trans | -132.9 | 86.3 | 179.3 | -50.3 | 175.4 | 0 | 0 | 0 | 111.1 | ||||
| 1048 | D | 31.6 | Very low | 28.4 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 42% | 0.422 | 69% | 0.69 | S | S | . | * | trans | -167.1 | 16.8 | 159.2 | -136.6 | 14.9 | 0 | 0 | 0 | 118.4 | S1051 R1052 | D1048-S1051 PolarHBondContact O-OG 3.36Å; D1048-S1051 WeakPolarHBondContact OD1-CB 3.22Å; D1048-S1051 PolarHBondContact OD1-OG 3.47Å; D1048-R1052 IonicContact OD2-CZ 2.96Å; D1048-R1052 IonicContact OD2-NE 2.63Å; D1048-R1052 PolarHBondContact OD2-NE 3.09Å; D1048-R1052 IonicContact OD2-NH2 2.82Å; D1048-R1052 PolarHBondContact OD2-NH2 2.77Å | ||
| 1049 | Y | 29.2 | Very low | 28.5 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 66% | 0.655 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -82.1 | -32.7 | -174.3 | -143.2 | -89.8 | 0 | 0 | 0 | 114.2 | Y1053 | Y1049-Y1053 HydrophobicContact CE1-CD2 4.24Å; Y1049-Y1053 HydrophobicContact CE1-CE2 4.14Å |
| 1050 | Y | 29.7 | Very low | 28.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 46% | 0.455 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -78.4 | -37.1 | -178.4 | -94.8 | -91.5 | 0 | 0 | 0 | 113.9 | S293 N941 R1052 | S293-Y1050 WeakPolarHBondContact CB-OH 3.15Å; S293-Y1050 WeakPolarHBondContact OG-CE2 3.2Å; S293-Y1050 PolarHBondContact OG-OH 3.05Å; N941-Y1050 VanDerWaalsContact ND2-CE1 3.27Å; N941-Y1050 WeakPolarHBondContact ND2-CE1 3.34Å; N941-Y1050 PolarHBondContact ND2-OH 3.29Å; Y1050-R1052 VanDerWaalsContact C-N 3.28Å; Y1050-R1052 PolarHBondContact O-N 3.23Å |
| 1051 | S | 31.3 | Very low | 28.8 | Very low | 55 Ų | 55 | 144.8 Ų | 144.8 | 39% | 0.385 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -60.4 | -31.3 | -177.2 | 37.2 | 0 | 0 | 0 | 0 | 113.5 | D1048 | D1048-S1051 PolarHBondContact O-OG 3.36Å; D1048-S1051 WeakPolarHBondContact OD1-CB 3.22Å; D1048-S1051 PolarHBondContact OD1-OG 3.47Å |
| 1052 | R | 28.3 | Very low | 29.1 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 63% | 0.634 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -94.3 | -22.1 | -170.1 | -57.8 | -177 | -171.2 | 176.9 | 3.9 | 115.3 | D1048 Y1050 | D1048-R1052 IonicContact OD2-CZ 2.96Å; D1048-R1052 IonicContact OD2-NE 2.63Å; D1048-R1052 PolarHBondContact OD2-NE 3.09Å; D1048-R1052 IonicContact OD2-NH2 2.82Å; D1048-R1052 PolarHBondContact OD2-NH2 2.77Å; Y1050-R1052 VanDerWaalsContact C-N 3.28Å; Y1050-R1052 PolarHBondContact O-N 3.23Å |
| 1053 | Y | 31.7 | Very low | 29.2 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 63% | 0.627 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -94 | -17.3 | -167.9 | -99.9 | -78.4 | 0 | 0 | 0 | 116 | Y1049 | Y1049-Y1053 HydrophobicContact CE1-CD2 4.24Å; Y1049-Y1053 HydrophobicContact CE1-CE2 4.14Å |
| 1054 | V | 34.6 | Very low | 29.4 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 58% | 0.576 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -106.5 | -14.1 | -176.3 | -175.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1055 | L | 30 | Very low | 29.8 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | trans | -89.2 | 5.4 | -174 | -75.3 | 174.8 | 0 | 0 | 0 | 115.8 | S1057 | L1055-S1057 VanDerWaalsContact C-N 3.25Å; L1055-S1057 PolarHBondContact O-N 3.06Å; L1055-S1057 VanDerWaalsContact O-N 3.16Å | ||
| 1056 | N | 26.3 | Very low | 30.5 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | trans | -86.7 | 37.2 | 179.9 | -76.1 | -34.9 | 0 | 0 | 0 | 114.2 | ||||
| 1057 | S | 26.6 | Very low | 31.3 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | trans | -88.9 | 124.4 | 167.6 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | L1055 Q1059 | L1055-S1057 VanDerWaalsContact C-N 3.25Å; L1055-S1057 PolarHBondContact O-N 3.06Å; L1055-S1057 VanDerWaalsContact O-N 3.16Å; S1057-Q1059 PolarHBondContact O-N 3.46Å | ||
| 1058 | P | 27.8 | Very low | 32.1 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 83% | 0.831 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 7.1 | -160.2 | -23.3 | 35.5 | 0 | 0 | 0 | 118.7 | ||
| 1059 | Q | 29.7 | Very low | 32.6 | Very low | 172 Ų | 172 | 124.1 Ų | 124.1 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -6 | -164.6 | -71 | -174.5 | -30.1 | 0 | 0 | 116.7 | S1057 | S1057-Q1059 PolarHBondContact O-N 3.46Š|
| 1060 | H | 31.5 | Very low | 33.3 | Very low | 176 Ų | 176 | 122.7 Ų | 122.7 | 82% | 0.815 | 61% | 0.61 | S | S | * | * | trans | -125.9 | 88 | 175.8 | -73.8 | -85.6 | 0 | 0 | 0 | 112.6 | ||||
| 1061 | K | 26.5 | Very low | 34 | Very low | 190 Ų | 190 | 120.7 Ų | 120.7 | 83% | 0.826 | 60% | 0.602 | S | S | * | * | trans | -85.6 | 146.2 | 155.8 | -74.1 | -177.5 | 175.9 | 179.2 | 0 | 108.7 | ||||
| 1062 | H | 30.4 | Very low | 34.5 | Very low | 182 Ų | 182 | 118.7 Ų | 118.7 | 84% | 0.843 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 75.9 | 52.9 | -179 | -51.3 | -83.8 | 0 | 0 | 0 | 118.1 | ||
| 1063 | Q | 31.1 | Very low | 35.1 | Very low | 182 Ų | 182 | 115.5 Ų | 115.5 | 85% | 0.85 | 57% | 0.574 | S | S | * | * | trans | -162.5 | 77.3 | 147.8 | -111.4 | 157.5 | 6.5 | 0 | 0 | 112.7 | R1065 | Q1063-R1065 PolarHBondContact O-N 3.06Š| ||
| 1064 | S | 29.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 110.1 Ų | 110.1 | 87% | 0.874 | 56% | 0.56 | S | S | * | * | trans | -96.5 | 58.3 | -179.7 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1065 | R | 35.6 | Very low | 35.4 | Very low | 166 Ų | 166 | 108.9 Ų | 108.9 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -161.3 | 145.9 | 169.5 | -103.9 | 159.9 | -172.4 | 149.5 | 5.5 | 108.4 | Q1063 D1069 | Q1063-R1065 PolarHBondContact O-N 3.06Å; R1065-D1069 HydrophobicContact CB-CB 4.43Å; R1065-D1069 HydrophobicContact CG-CB 4.24Å; R1065-D1069 IonicContact NE-OD2 2.91Å |
| 1066 | T | 43.9 | Very low | 35.9 | Very low | 63 Ų | 63 | 104.1 Ų | 104.1 | 39% | 0.387 | 52% | 0.52 | S | S | . | . | trans | -74 | 156.5 | 175.5 | 64.3 | 0 | 0 | 0 | 0 | 110.4 | L1068 D1069 H1070 | T1066-L1068 PolarHBondContact O-N 3.15Å; T1066-D1069 WeakPolarHBondContact O-CA 3.16Å; T1066-D1069 WeakPolarHBondContact O-CB 3.45Å; T1066-D1069 PolarHBondContact O-N 3.45Å; T1066-D1069 PolarHBondContact OG1-N 3.44Å; T1066-H1070 PolarHBondContact O-N 2.92Å | ||
| 1067 | S | 44.2 | Very low | 36.1 | Very low | 32 Ų | 32 | 105.6 Ų | 105.6 | 22% | 0.224 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -60.6 | -31.7 | 172.7 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | A194 H1070 R1071 | A194-S1067 VanDerWaalsContact CB-CB 3.48Å; A194-S1067 WeakPolarHBondContact CB-OG 3.42Å; S1067-H1070 CarbonylContact O-C 3.56Å; S1067-H1070 PolarHBondContact O-N 3.42Å; S1067-R1071 WeakPolarHBondContact O-CB 3.22Å; S1067-R1071 WeakPolarHBondContact O-CG 3.29Å; S1067-R1071 PolarHBondContact O-N 2.77Å |
| 1068 | L | 43.9 | Very low | 36.3 | Very low | 24 Ų | 24 | 106.7 Ų | 106.7 | 13% | 0.126 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 173.1 | -176.8 | 147.9 | 0 | 0 | 0 | 110.9 | Y205 V209 T1066 L1072 | Y205-L1068 HydrophobicContact CE2-CB 4.22Å; Y205-L1068 HydrophobicContact CE2-CD1 3.92Å; V209-L1068 HydrophobicContact CG2-CD1 3.9Å; T1066-L1068 PolarHBondContact O-N 3.15Å; L1068-L1072 HydrophobicContact CD2-CD1 3.6Å; L1068-L1072 HydrophobicContact CD2-CG 4.36Å; L1068-L1072 HydrophobicContact CG-CD1 4.48Å; L1068-L1072 WeakPolarHBondContact O-CB 3.34Å; L1068-L1072 VanDerWaalsContact O-CG 3.31Å; L1068-L1072 WeakPolarHBondContact O-CG 3.5Å; L1068-L1072 PolarHBondContact O-N 3.02Å |
| 1069 | D | 42.8 | Very low | 36.8 | Very low | 30 Ų | 30 | 105.9 Ų | 105.9 | 16% | 0.16 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66 | -36.4 | 170.8 | -138.1 | 73 | 0 | 0 | 0 | 111.7 | R212 R1065 T1066 R1073 | R212-D1069 IonicContact CZ-OD1 2.73Å; R212-D1069 IonicContact NH1-OD1 3.97Å; R212-D1069 IonicContact NH2-OD1 3.24Å; R212-D1069 PolarHBondContact NH2-OD1 2.98Å; R1065-D1069 HydrophobicContact CB-CB 4.43Å; R1065-D1069 HydrophobicContact CG-CB 4.24Å; R1065-D1069 IonicContact NE-OD2 2.91Å; T1066-D1069 WeakPolarHBondContact O-CA 3.16Å; T1066-D1069 WeakPolarHBondContact O-CB 3.45Å; T1066-D1069 PolarHBondContact O-N 3.45Å; T1066-D1069 PolarHBondContact OG1-N 3.44Å; D1069-R1073 WeakPolarHBondContact O-CB 3.32Å; D1069-R1073 WeakPolarHBondContact O-CD 3.21Å; D1069-R1073 WeakPolarHBondContact O-CG 3.44Å; D1069-R1073 PolarHBondContact O-N 3.23Å; D1069-R1073 IonicContact OD2-CZ 2.69Å; D1069-R1073 IonicContact OD2-NE 3.48Å; D1069-R1073 PolarHBondContact OD2-NE 3.35Å; D1069-R1073 IonicContact OD2-NH2 2.75Å |
| 1070 | H | 44.9 | Very low | 37 | Very low | 136 Ų | 136 | 102.6 Ų | 102.6 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.8 | -42.6 | 175.7 | -165 | -86.3 | 0 | 0 | 0 | 112.7 | T1066 S1067 R1073 S1074 | T1066-H1070 PolarHBondContact O-N 2.92Å; S1067-H1070 CarbonylContact O-C 3.56Å; S1067-H1070 PolarHBondContact O-N 3.42Å; H1070-R1073 PolarHBondContact O-N 3.34Å; H1070-S1074 WeakPolarHBondContact O-CB 3.41Å; H1070-S1074 PolarHBondContact O-N 2.61Å; H1070-S1074 PolarHBondContact O-OG 2.94Å |
| 1071 | R | 44.6 | Very low | 37.1 | Very low | 74 Ų | 74 | 96.6 Ų | 96.6 | 28% | 0.279 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 176.2 | -71.2 | -176.2 | 82 | -168.6 | 5.1 | 110.8 | S1067 S1074 R1075 D1438 | S1067-R1071 WeakPolarHBondContact O-CB 3.22Å; S1067-R1071 WeakPolarHBondContact O-CG 3.29Å; S1067-R1071 PolarHBondContact O-N 2.77Å; R1071-S1074 WeakPolarHBondContact CA-OG 3.28Å; R1071-S1074 PolarHBondContact O-N 2.9Å; R1071-S1074 PolarHBondContact O-OG 3.43Å; R1071-R1075 WeakPolarHBondContact O-CB 3.41Å; R1071-R1075 PolarHBondContact O-N 3.01Å; R1071-D1438 WeakPolarHBondContact CD-OD2 3.48Å; R1071-D1438 IonicContact CZ-OD2 3.46Å; R1071-D1438 IonicContact NE-OD2 3.5Å; R1071-D1438 VanDerWaalsContact NH1-CB 3.25Å; R1071-D1438 IonicContact NH1-OD2 3.85Å; R1071-D1438 PolarHBondContact NH1-OD2 2.64Å |
| 1072 | L | 41.8 | Very low | 37.3 | Very low | 13 Ų | 13 | 90.9 Ų | 90.9 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -55.9 | -55.2 | 169.8 | -82.6 | 173.4 | 0 | 0 | 0 | 111.1 | R212 L1068 S1074 R1075 I1076 L1442 | R212-L1072 VanDerWaalsContact NH1-CD1 3.26Å; L1068-L1072 HydrophobicContact CD2-CD1 3.6Å; L1068-L1072 HydrophobicContact CD2-CG 4.36Å; L1068-L1072 HydrophobicContact CG-CD1 4.48Å; L1068-L1072 WeakPolarHBondContact O-CB 3.34Å; L1068-L1072 VanDerWaalsContact O-CG 3.31Å; L1068-L1072 WeakPolarHBondContact O-CG 3.5Å; L1068-L1072 PolarHBondContact O-N 3.02Å; L1072-S1074 VanDerWaalsContact C-N 3.33Å; L1072-S1074 PolarHBondContact O-N 3.5Å; L1072-R1075 PolarHBondContact O-N 3.41Å; L1072-R1075 VanDerWaalsContact O-N 3.13Å; L1072-I1076 HydrophobicContact CB-CD1 4.36Å; L1072-I1076 WeakPolarHBondContact O-CB 3.4Å; L1072-I1076 VanDerWaalsContact O-CG1 3.24Å; L1072-I1076 WeakPolarHBondContact O-CG1 3.47Å; L1072-I1076 PolarHBondContact O-N 3.08Å; L1072-L1442 HydrophobicContact CD2-CD2 3.53Å |
| 1073 | R | 39.4 | Very low | 37.5 | Very low | 101 Ų | 101 | 85 Ų | 85 | 38% | 0.381 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | -179.8 | -76.7 | 171.6 | 178.5 | -81 | -14.7 | 112.2 | D1069 H1070 I1076 Y1077 | D1069-R1073 WeakPolarHBondContact O-CB 3.32Å; D1069-R1073 WeakPolarHBondContact O-CD 3.21Å; D1069-R1073 WeakPolarHBondContact O-CG 3.44Å; D1069-R1073 PolarHBondContact O-N 3.23Å; D1069-R1073 IonicContact OD2-CZ 2.69Å; D1069-R1073 IonicContact OD2-NE 3.48Å; D1069-R1073 PolarHBondContact OD2-NE 3.35Å; D1069-R1073 IonicContact OD2-NH2 2.75Å; H1070-R1073 PolarHBondContact O-N 3.34Å; R1073-I1076 PolarHBondContact O-N 3.32Å; R1073-Y1077 WeakPolarHBondContact O-CB 3.41Å; R1073-Y1077 PolarHBondContact O-N 3.5Å |
| 1074 | S | 36.5 | Very low | 38.1 | Very low | 47 Ų | 47 | 80.4 Ų | 80.4 | 33% | 0.329 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.5 | 68.7 | 0 | 0 | 0 | 0 | 112 | H1070 R1071 L1072 Y1077 W1078 | H1070-S1074 WeakPolarHBondContact O-CB 3.41Å; H1070-S1074 PolarHBondContact O-N 2.61Å; H1070-S1074 PolarHBondContact O-OG 2.94Å; R1071-S1074 WeakPolarHBondContact CA-OG 3.28Å; R1071-S1074 PolarHBondContact O-N 2.9Å; R1071-S1074 PolarHBondContact O-OG 3.43Å; L1072-S1074 VanDerWaalsContact C-N 3.33Å; L1072-S1074 PolarHBondContact O-N 3.5Å; S1074-Y1077 PolarHBondContact O-N 2.82Å; S1074-W1078 PolarHBondContact O-N 3.1Å |
| 1075 | R | 35.9 | Very low | 38.5 | Very low | 69 Ų | 69 | 81.8 Ų | 81.8 | 26% | 0.26 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 179.3 | -154.1 | 178.3 | -160 | 167 | 7.4 | 112.4 | R1071 L1072 N1079 Q1439 | R1071-R1075 WeakPolarHBondContact O-CB 3.41Å; R1071-R1075 PolarHBondContact O-N 3.01Å; L1072-R1075 PolarHBondContact O-N 3.41Å; L1072-R1075 VanDerWaalsContact O-N 3.13Å; R1075-N1079 WeakPolarHBondContact O-CB 3.45Å; R1075-N1079 PolarHBondContact O-N 3.09Å; R1075-Q1439 VanDerWaalsContact CZ-OE1 3.28Å |
| 1076 | I | 40.5 | Very low | 38.8 | Very low | 44 Ų | 44 | 80.8 Ų | 80.8 | 23% | 0.226 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 171.8 | -67.7 | 165.6 | 0 | 0 | 0 | 110.3 | L1072 R1073 N1079 N1080 | L1072-I1076 HydrophobicContact CB-CD1 4.36Å; L1072-I1076 WeakPolarHBondContact O-CB 3.4Å; L1072-I1076 VanDerWaalsContact O-CG1 3.24Å; L1072-I1076 WeakPolarHBondContact O-CG1 3.47Å; L1072-I1076 PolarHBondContact O-N 3.08Å; R1073-I1076 PolarHBondContact O-N 3.32Å; I1076-N1079 PolarHBondContact O-N 2.85Å; I1076-N1080 WeakPolarHBondContact O-CB 3.47Å; I1076-N1080 PolarHBondContact O-N 2.75Å; I1076-N1080 PolarHBondContact O-OD1 3.5Å |
| 1077 | Y | 31.5 | Very low | 38.6 | Very low | 178 Ų | 178 | 84 Ų | 84 | 70% | 0.698 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 175.3 | -166.2 | -95.5 | 0 | 0 | 0 | 111.2 | R1073 S1074 A1081 | R1073-Y1077 WeakPolarHBondContact O-CB 3.41Å; R1073-Y1077 PolarHBondContact O-N 3.5Å; S1074-Y1077 PolarHBondContact O-N 2.82Å; Y1077-A1081 WeakPolarHBondContact O-CB 3.45Å; Y1077-A1081 PolarHBondContact O-N 3.04Å; Y1077-A1081 VanDerWaalsContact O-N 3.16Å |
| 1078 | W | 31.5 | Very low | 38.3 | Very low | 108 Ų | 108 | 84.6 Ų | 84.6 | 41% | 0.409 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 174.6 | -72.2 | 118.6 | 0 | 0 | 0 | 113.5 | S1074 Q1088 I1092 | S1074-W1078 PolarHBondContact O-N 3.1Å; W1078-Q1088 HydrophobicContact CE3-CG 4.46Å; W1078-Q1088 PolarHBondContact O-NE2 2.98Å; W1078-I1092 HydrophobicContact CH2-CG1 4.43Å |
| 1079 | N | 37.2 | Very low | 38.1 | Very low | 112 Ų | 112 | 89.5 Ų | 89.5 | 60% | 0.599 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -78.5 | -39.2 | 178.8 | -78 | 11.3 | 0 | 0 | 0 | 113.6 | R1075 I1076 | R1075-N1079 WeakPolarHBondContact O-CB 3.45Å; R1075-N1079 PolarHBondContact O-N 3.09Å; I1076-N1079 PolarHBondContact O-N 2.85Å |
| 1080 | N | 34.8 | Very low | 37.9 | Very low | 102 Ų | 102 | 92.6 Ų | 92.6 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -82.9 | -14.6 | -176.2 | -69.2 | 19.1 | 0 | 0 | 0 | 113 | I1076 G1082 | I1076-N1080 WeakPolarHBondContact O-CB 3.47Å; I1076-N1080 PolarHBondContact O-N 2.75Å; I1076-N1080 PolarHBondContact O-OD1 3.5Å; N1080-G1082 PolarHBondContact O-N 3.02Å; N1080-G1082 VanDerWaalsContact O-N 3.14Å |
| 1081 | A | 33.9 | Very low | 37.5 | Very low | 51 Ų | 51 | 89.5 Ų | 89.5 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1077 L1083 | Y1077-A1081 WeakPolarHBondContact O-CB 3.45Å; Y1077-A1081 PolarHBondContact O-N 3.04Å; Y1077-A1081 VanDerWaalsContact O-N 3.16Å; A1081-L1083 HydrophobicContact CB-CD1 4.01Å; A1081-L1083 WeakPolarHBondContact O-CD1 3.31Å; A1081-L1083 PolarHBondContact O-N 2.88Å |
| 1082 | G | 29.7 | Very low | 37.1 | Very low | 69 Ų | 69 | 88.4 Ų | 88.4 | 71% | 0.711 | 44% | 0.443 | S | S | * | . | trans | 66.9 | 7.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N1080 T1084 | N1080-G1082 PolarHBondContact O-N 3.02Å; N1080-G1082 VanDerWaalsContact O-N 3.14Å; G1082-T1084 PolarHBondContact O-N 3.33Å | ||
| 1083 | L | 35.2 | Very low | 36.7 | Very low | 60 Ų | 60 | 92.9 Ų | 92.9 | 31% | 0.314 | 47% | 0.467 | S | S | . | . | trans | -67.5 | 124.5 | 174.7 | -89.1 | 67.8 | 0 | 0 | 0 | 109.8 | A1081 K1087 Q1088 | A1081-L1083 HydrophobicContact CB-CD1 4.01Å; A1081-L1083 WeakPolarHBondContact O-CD1 3.31Å; A1081-L1083 PolarHBondContact O-N 2.88Å; L1083-K1087 HydrophobicContact CB-CB 4.18Å; L1083-K1087 HydrophobicContact CD2-CB 4.13Å; L1083-K1087 HydrophobicContact CG-CB 3.95Å; L1083-Q1088 HydrophobicContact CB-CG 3.84Å; L1083-Q1088 HydrophobicContact CD2-CG 4.33Å | ||
| 1084 | T | 42.6 | Very low | 36.4 | Very low | 85 Ų | 85 | 96.3 Ų | 96.3 | 52% | 0.521 | 49% | 0.487 | S | S | . | . | trans | -57.3 | 152.5 | 163.3 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | G1082 E1086 K1087 Q1088 | G1082-T1084 PolarHBondContact O-N 3.33Å; T1084-E1086 PolarHBondContact O-N 3.29Å; T1084-E1086 VanDerWaalsContact O-N 3.1Å; T1084-K1087 PolarHBondContact O-N 2.77Å; T1084-Q1088 PolarHBondContact O-N 3.16Å | ||
| 1085 | Y | 39 | Very low | 36 | Very low | 154 Ų | 154 | 98.5 Ų | 98.5 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -50.2 | -37.7 | -179.2 | 178.5 | -105.2 | 0 | 0 | 0 | 113.2 | Q1088 K1089 | Y1085-Q1088 PolarHBondContact O-N 3.46Å; Y1085-K1089 PolarHBondContact O-N 2.67Å; Y1085-K1089 VanDerWaalsContact O-N 3.08Å |
| 1086 | E | 40.7 | Very low | 35.6 | Very low | 144 Ų | 144 | 98.4 Ų | 98.4 | 67% | 0.673 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.2 | -42 | 175.5 | -59.7 | -172.9 | 135.6 | 0 | 0 | 112.7 | T1084 Q1088 K1089 D1090 | T1084-E1086 PolarHBondContact O-N 3.29Å; T1084-E1086 VanDerWaalsContact O-N 3.1Å; E1086-Q1088 PolarHBondContact O-N 2.86Å; E1086-K1089 WeakPolarHBondContact O-CB 3.33Å; E1086-K1089 PolarHBondContact O-N 2.78Å; E1086-D1090 PolarHBondContact O-N 3.4Å |
| 1087 | K | 40.9 | Very low | 34.8 | Very low | 131 Ų | 131 | 105.7 Ų | 105.7 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.4 | -32.6 | 175.6 | -75.1 | -176.6 | 176.4 | 176.7 | 0 | 112.8 | L1083 T1084 T1091 | L1083-K1087 HydrophobicContact CB-CB 4.18Å; L1083-K1087 HydrophobicContact CD2-CB 4.13Å; L1083-K1087 HydrophobicContact CG-CB 3.95Å; T1084-K1087 PolarHBondContact O-N 2.77Å; K1087-T1091 WeakPolarHBondContact O-CB 3.38Å; K1087-T1091 PolarHBondContact O-N 3.32Å; K1087-T1091 PolarHBondContact O-OG1 2.96Å |
| 1088 | Q | 37.7 | Very low | 34.5 | Very low | 45 Ų | 45 | 104.6 Ų | 104.6 | 21% | 0.21 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -61.7 | -46.1 | 170.1 | -72.6 | -172.2 | -11.1 | 0 | 0 | 110.6 | W1078 L1083 T1084 Y1085 E1086 D1090 T1091 I1092 | W1078-Q1088 HydrophobicContact CE3-CG 4.46Å; W1078-Q1088 PolarHBondContact O-NE2 2.98Å; L1083-Q1088 HydrophobicContact CB-CG 3.84Å; L1083-Q1088 HydrophobicContact CD2-CG 4.33Å; T1084-Q1088 PolarHBondContact O-N 3.16Å; Y1085-Q1088 PolarHBondContact O-N 3.46Å; E1086-Q1088 PolarHBondContact O-N 2.86Å; Q1088-D1090 PolarHBondContact O-N 2.76Å; Q1088-T1091 PolarHBondContact O-N 3.05Å; Q1088-I1092 WeakPolarHBondContact O-CB 3.25Å; Q1088-I1092 VanDerWaalsContact O-CG1 3.3Å; Q1088-I1092 WeakPolarHBondContact O-CG1 3.4Å; Q1088-I1092 PolarHBondContact O-N 2.9Å |
| 1089 | K | 39.5 | Very low | 34.3 | Very low | 127 Ų | 127 | 104.3 Ų | 104.3 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.6 | -48.6 | 177.1 | -170.6 | 176.9 | -178.4 | 176.1 | 0 | 111.9 | Y1085 E1086 N1093 | Y1085-K1089 PolarHBondContact O-N 2.67Å; Y1085-K1089 VanDerWaalsContact O-N 3.08Å; E1086-K1089 WeakPolarHBondContact O-CB 3.33Å; E1086-K1089 PolarHBondContact O-N 2.78Å; K1089-N1093 WeakPolarHBondContact O-CB 3.26Å; K1089-N1093 PolarHBondContact O-N 2.95Å; K1089-N1093 VanDerWaalsContact O-N 3.08Å; K1089-N1093 PolarHBondContact O-ND2 3.17Å; K1089-N1093 VanDerWaalsContact O-ND2 3.12Å |
| 1090 | D | 39.2 | Very low | 34.1 | Very low | 95 Ų | 95 | 101.7 Ų | 101.7 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.3 | -40.6 | 179.3 | -70.4 | -20.2 | 0 | 0 | 0 | 113.1 | E1086 Q1088 N1093 Q1094 | E1086-D1090 PolarHBondContact O-N 3.4Å; Q1088-D1090 PolarHBondContact O-N 2.76Å; D1090-N1093 PolarHBondContact O-N 2.82Å; D1090-Q1094 PolarHBondContact O-N 3.33Å |
| 1091 | T | 35.3 | Very low | 34.1 | Very low | 71 Ų | 71 | 101 Ų | 101 | 44% | 0.436 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69 | -38.3 | -179.1 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | K1087 Q1088 | K1087-T1091 WeakPolarHBondContact O-CB 3.38Å; K1087-T1091 PolarHBondContact O-N 3.32Å; K1087-T1091 PolarHBondContact O-OG1 2.96Å; Q1088-T1091 PolarHBondContact O-N 3.05Å |
| 1092 | I | 37.3 | Very low | 34.4 | Very low | 51 Ų | 51 | 105.5 Ų | 105.5 | 26% | 0.262 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -44.9 | 175.5 | -69.4 | 167.3 | 0 | 0 | 0 | 110.4 | W1078 Q1088 Q1094 S1095 | W1078-I1092 HydrophobicContact CH2-CG1 4.43Å; Q1088-I1092 WeakPolarHBondContact O-CB 3.25Å; Q1088-I1092 VanDerWaalsContact O-CG1 3.3Å; Q1088-I1092 WeakPolarHBondContact O-CG1 3.4Å; Q1088-I1092 PolarHBondContact O-N 2.9Å; I1092-Q1094 PolarHBondContact O-N 3.08Å; I1092-Q1094 VanDerWaalsContact O-N 3.09Å; I1092-S1095 PolarHBondContact O-N 3.23Å; I1092-S1095 PolarHBondContact O-OG 3.2Å |
| 1093 | N | 33.1 | Very low | 35.3 | Very low | 106 Ų | 106 | 103.1 Ų | 103.1 | 57% | 0.567 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.1 | -21.9 | -179.1 | -75.3 | -23 | 0 | 0 | 0 | 114.7 | K1089 D1090 | K1089-N1093 WeakPolarHBondContact O-CB 3.26Å; K1089-N1093 PolarHBondContact O-N 2.95Å; K1089-N1093 VanDerWaalsContact O-N 3.08Å; K1089-N1093 PolarHBondContact O-ND2 3.17Å; K1089-N1093 VanDerWaalsContact O-ND2 3.12Å; D1090-N1093 PolarHBondContact O-N 2.82Å |
| 1094 | Q | 31.8 | Very low | 36 | Very low | 174 Ų | 174 | 104.3 Ų | 104.3 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10 | 178.6 | -68.1 | -178 | 8.2 | 0 | 0 | 114.1 | D1090 I1092 | D1090-Q1094 PolarHBondContact O-N 3.33Å; I1092-Q1094 PolarHBondContact O-N 3.08Å; I1092-Q1094 VanDerWaalsContact O-N 3.09Å |
| 1095 | S | 28 | Very low | 36.6 | Very low | 93 Ų | 93 | 101 Ų | 101 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -23.3 | -164.4 | 67.2 | 0 | 0 | 0 | 0 | 116.2 | I1092 | I1092-S1095 PolarHBondContact O-N 3.23Å; I1092-S1095 PolarHBondContact O-OG 3.2Å |
| 1096 | S | 27.9 | Very low | 37.4 | Very low | 66 Ų | 66 | 94.3 Ų | 94.3 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | trans | -153.7 | 119.4 | 173.9 | 58.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1097 | Q | 24.9 | Very low | 38.3 | Very low | 198 Ų | 198 | 87.4 Ų | 87.4 | 93% | 0.925 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -68.5 | 141.6 | 165.6 | -66.3 | 179.4 | -7.4 | 0 | 0 | 109.2 | ||
| 1098 | L | 23.7 | Very low | 39.1 | Very low | 155 Ų | 155 | 84.4 Ų | 84.4 | 81% | 0.812 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 72.3 | 120.8 | -172.6 | -110.8 | 67.3 | 0 | 0 | 0 | 117.3 | ||
| 1099 | S | 27.6 | Very low | 40.1 | Very low | 101 Ų | 101 | 82.4 Ų | 82.4 | 71% | 0.706 | 45% | 0.447 | S | S | * | . | trans | 77 | 43.9 | 148.2 | 71.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1100 | T | 33 | Very low | 41.1 | Very low | 57 Ų | 57 | 78.7 Ų | 78.7 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | trans | -129.3 | 81.6 | 149.7 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | H1102 | T1100-H1102 PolarHBondContact O-N 2.85Å; T1100-H1102 VanDerWaalsContact O-N 3.16Å | ||
| 1101 | V | 35 | Very low | 42.1 | Very low | 89 Ų | 89 | 75.5 Ų | 75.5 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | trans | -70.7 | 107.3 | 162.4 | -177 | 0 | 0 | 0 | 0 | 106.6 | L1103 Y1112 | V1101-L1103 HydrophobicContact CB-CD2 4.24Å; V1101-L1103 HydrophobicContact CB-CG 4.47Å; V1101-L1103 HydrophobicContact CG1-CD2 3.56Å; V1101-L1103 HydrophobicContact CG1-CG 4.07Å; V1101-L1103 PolarHBondContact O-N 3.09Å; V1101-L1103 VanDerWaalsContact O-N 3.08Å; V1101-Y1112 HydrophobicContact CG2-CD2 4.22Å; V1101-Y1112 HydrophobicContact CG2-CE2 4.19Å | ||
| 1102 | H | 40.9 | Very low | 43.2 | Very low | 144 Ų | 144 | 74.1 Ų | 74.1 | 67% | 0.667 | 40% | 0.402 | S | S | * | . | trans | -72.1 | 99.8 | 168.1 | -110.7 | -80.1 | 0 | 0 | 0 | 107.7 | T1100 T1104 | T1100-H1102 PolarHBondContact O-N 2.85Å; T1100-H1102 VanDerWaalsContact O-N 3.16Å; H1102-T1104 WeakPolarHBondContact O-CG2 3.42Å; H1102-T1104 PolarHBondContact O-N 3.32Å | ||
| 1103 | L | 49 | Very low | 44 | Very low | 20 Ų | 20 | 73.3 Ų | 73.3 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | trans | -77.9 | 94.3 | -176 | -56.6 | 153 | 0 | 0 | 0 | 107.9 | V1101 S1105 E1108 M1109 Y1112 | V1101-L1103 HydrophobicContact CB-CD2 4.24Å; V1101-L1103 HydrophobicContact CB-CG 4.47Å; V1101-L1103 HydrophobicContact CG1-CD2 3.56Å; V1101-L1103 HydrophobicContact CG1-CG 4.07Å; V1101-L1103 PolarHBondContact O-N 3.09Å; V1101-L1103 VanDerWaalsContact O-N 3.08Å; L1103-S1105 VanDerWaalsContact C-N 3.26Å; L1103-S1105 PolarHBondContact O-N 3.49Å; L1103-E1108 HydrophobicContact CD2-CB 4.33Å; L1103-E1108 WeakPolarHBondContact CD2-O 3.24Å; L1103-M1109 HydrophobicContact CB-CG 3.46Å; L1103-M1109 VanDerWaalsContact CB-CG 3.46Å; L1103-M1109 HydrophobicContact CB-SD 4.4Å; L1103-M1109 HydrophobicContact CD1-CG 4Å; L1103-M1109 HydrophobicContact CD2-CG 4.44Å; L1103-M1109 HydrophobicContact CG-CG 4.13Å; L1103-Y1112 HydrophobicContact CD2-CG 4.08Å | ||
| 1104 | T | 48.3 | Very low | 45.2 | Very low | 84 Ų | 84 | 69.7 Ų | 69.7 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | trans | -79.1 | -11.6 | -172.1 | 70.4 | 0 | 0 | 0 | 0 | 113.1 | H1102 E1108 | H1102-T1104 WeakPolarHBondContact O-CG2 3.42Å; H1102-T1104 PolarHBondContact O-N 3.32Å; T1104-E1108 WeakPolarHBondContact CA-OE2 3.45Å; T1104-E1108 WeakPolarHBondContact CB-OE2 3.39Å; T1104-E1108 PolarHBondContact N-OE2 3.02Å; T1104-E1108 PolarHBondContact OG1-OE2 3.38Å | ||
| 1105 | S | 55 | Low | 46.6 | Very low | 16 Ų | 16 | 66.2 Ų | 66.2 | 11% | 0.112 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -145.9 | 153.1 | -174.7 | 52 | 0 | 0 | 0 | 0 | 112.9 | L1103 S1107 E1108 M1109 N1339 | L1103-S1105 VanDerWaalsContact C-N 3.26Å; L1103-S1105 PolarHBondContact O-N 3.49Å; S1105-S1107 WeakPolarHBondContact CB-OG 3.47Å; S1105-S1107 PolarHBondContact O-N 3.28Å; S1105-S1107 PolarHBondContact OG-OG 2.91Å; S1105-E1108 PolarHBondContact N-OE2 3.16Å; S1105-E1108 PolarHBondContact O-N 2.89Å; S1105-E1108 VanDerWaalsContact O-N 3.12Å; S1105-E1108 WeakPolarHBondContact OG-CB 3.45Å; S1105-E1108 WeakPolarHBondContact OG-CG 3.25Å; S1105-E1108 PolarHBondContact OG-N 2.86Å; S1105-E1108 PolarHBondContact OG-OE2 2.99Å; S1105-M1109 WeakPolarHBondContact O-CE 3.43Å; S1105-M1109 WeakPolarHBondContact O-CG 3.33Å; S1105-M1109 PolarHBondContact O-N 3.44Å; S1105-N1339 WeakPolarHBondContact CB-ND2 3.36Å |
| 1106 | L | 57.1 | Low | 47.9 | Very low | 13 Ų | 13 | 64.9 Ų | 64.9 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.6 | -33.8 | 176.9 | -85.7 | 160.6 | 0 | 0 | 0 | 112 | I128 I132 M1109 I1110 N1339 L1342 | I128-L1106 HydrophobicContact CG2-CD1 4.12Å; I132-L1106 HydrophobicContact CD1-CD2 4.13Å; I132-L1106 HydrophobicContact CG2-CD2 3.76Å; L1106-M1109 HydrophobicContact CG-CE 4.49Å; L1106-M1109 PolarHBondContact O-N 3.35Å; L1106-I1110 WeakPolarHBondContact O-CG1 3.41Å; L1106-I1110 PolarHBondContact O-N 3.42Å; L1106-I1110 VanDerWaalsContact O-N 3.07Å; L1106-N1339 PolarHBondContact N-OD1 3.47Å; L1106-L1342 HydrophobicContact CD1-CB 4.43Å; L1106-L1342 HydrophobicContact CD1-CD2 3.92Å; L1106-L1342 HydrophobicContact CD2-CD2 4.02Å; L1106-L1342 HydrophobicContact CG-CD2 4.38Å |
| 1107 | S | 58.5 | Low | 48.8 | Very low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -52.1 | 169.2 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | S1105 M1109 I1110 L1111 F1331 N1335 N1339 | S1105-S1107 WeakPolarHBondContact CB-OG 3.47Å; S1105-S1107 PolarHBondContact O-N 3.28Å; S1105-S1107 PolarHBondContact OG-OG 2.91Å; S1107-M1109 VanDerWaalsContact C-N 3.27Å; S1107-M1109 PolarHBondContact O-N 2.97Å; S1107-I1110 PolarHBondContact O-N 3.06Å; S1107-I1110 VanDerWaalsContact O-N 3.15Å; S1107-L1111 PolarHBondContact O-N 3.16Å; S1107-F1331 VanDerWaalsContact O-CE1 3.25Å; S1107-F1331 WeakPolarHBondContact O-CE1 3.19Å; S1107-N1335 WeakPolarHBondContact CB-OD1 3.31Å; S1107-N1335 PolarHBondContact OG-OD1 3.34Å; S1107-N1339 WeakPolarHBondContact CB-OD1 3.42Å; S1107-N1339 PolarHBondContact N-OD1 3.3Å; S1107-N1339 PolarHBondContact OG-ND2 3.43Å; S1107-N1339 VanDerWaalsContact OG-ND2 3.13Å; S1107-N1339 PolarHBondContact OG-OD1 3.1Å; S1107-N1339 VanDerWaalsContact OG-OD1 3.13Å |
| 1108 | E | 58.8 | Low | 50.1 | Low | 67 Ų | 67 | 55.7 Ų | 55.7 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -35.9 | 176.2 | -75.8 | 166 | 162.8 | 0 | 0 | 112.5 | L1103 T1104 S1105 L1111 Y1112 | L1103-E1108 HydrophobicContact CD2-CB 4.33Å; L1103-E1108 WeakPolarHBondContact CD2-O 3.24Å; T1104-E1108 WeakPolarHBondContact CA-OE2 3.45Å; T1104-E1108 WeakPolarHBondContact CB-OE2 3.39Å; T1104-E1108 PolarHBondContact N-OE2 3.02Å; T1104-E1108 PolarHBondContact OG1-OE2 3.38Å; S1105-E1108 PolarHBondContact N-OE2 3.16Å; S1105-E1108 PolarHBondContact O-N 2.89Å; S1105-E1108 VanDerWaalsContact O-N 3.12Å; S1105-E1108 WeakPolarHBondContact OG-CB 3.45Å; S1105-E1108 WeakPolarHBondContact OG-CG 3.25Å; S1105-E1108 PolarHBondContact OG-N 2.86Å; S1105-E1108 PolarHBondContact OG-OE2 2.99Å; E1108-L1111 PolarHBondContact O-N 3.13Å; E1108-Y1112 WeakPolarHBondContact O-CB 3.24Å; E1108-Y1112 PolarHBondContact O-N 3.04Å |
| 1109 | M | 58.3 | Low | 51.4 | Low | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 174 | -65.8 | -177.4 | -119 | 0 | 0 | 111.9 | I132 P133 F136 L1103 S1105 L1106 S1107 Y1112 F1113 | I132-M1109 HydrophobicContact CG2-CE 3.96Å; I132-M1109 HydrophobicContact CG2-SD 3.65Å; P133-M1109 HydrophobicContact CG-CE 3.97Å; F136-M1109 HydrophobicContact CB-SD 4.15Å; F136-M1109 HydrophobicContact CD2-CB 4.35Å; F136-M1109 HydrophobicContact CD2-CG 4.27Å; F136-M1109 HydrophobicContact CD2-SD 3.32Å; F136-M1109 WeakPolarHBondContact CD2-SD 3.18Å; F136-M1109 HydrophobicContact CE2-CB 4.46Å; F136-M1109 HydrophobicContact CE2-SD 3.98Å; F136-M1109 HydrophobicContact CG-SD 4.02Å; L1103-M1109 HydrophobicContact CB-CG 3.46Å; L1103-M1109 VanDerWaalsContact CB-CG 3.46Å; L1103-M1109 HydrophobicContact CB-SD 4.4Å; L1103-M1109 HydrophobicContact CD1-CG 4Å; L1103-M1109 HydrophobicContact CD2-CG 4.44Å; L1103-M1109 HydrophobicContact CG-CG 4.13Å; S1105-M1109 WeakPolarHBondContact O-CE 3.43Å; S1105-M1109 WeakPolarHBondContact O-CG 3.33Å; S1105-M1109 PolarHBondContact O-N 3.44Å; L1106-M1109 HydrophobicContact CG-CE 4.49Å; L1106-M1109 PolarHBondContact O-N 3.35Å; S1107-M1109 VanDerWaalsContact C-N 3.27Å; S1107-M1109 PolarHBondContact O-N 2.97Å; M1109-Y1112 PolarHBondContact O-N 3.48Å; M1109-F1113 WeakPolarHBondContact O-CD2 3.44Å; M1109-F1113 PolarHBondContact O-N 3.08Å |
| 1110 | I | 59.9 | Low | 52.2 | Low | 48 Ų | 48 | 48.3 Ų | 48.3 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 176.5 | -69.2 | 165.7 | 0 | 0 | 0 | 111.3 | L1106 S1107 F1113 L1114 F1331 L1342 | L1106-I1110 WeakPolarHBondContact O-CG1 3.41Å; L1106-I1110 PolarHBondContact O-N 3.42Å; L1106-I1110 VanDerWaalsContact O-N 3.07Å; S1107-I1110 PolarHBondContact O-N 3.06Å; S1107-I1110 VanDerWaalsContact O-N 3.15Å; I1110-F1113 PolarHBondContact O-N 3.37Å; I1110-L1114 HydrophobicContact CG2-CD1 3.87Å; I1110-L1114 HydrophobicContact CG2-CG 4.34Å; I1110-L1114 WeakPolarHBondContact O-CB 3.21Å; I1110-L1114 VanDerWaalsContact O-CG 3.3Å; I1110-L1114 WeakPolarHBondContact O-CG 3.14Å; I1110-L1114 PolarHBondContact O-N 3.21Å; I1110-F1331 HydrophobicContact CB-CZ 3.81Å; I1110-F1331 HydrophobicContact CD1-CZ 4.45Å; I1110-F1331 HydrophobicContact CG2-CE2 3.84Å; I1110-F1331 HydrophobicContact CG2-CZ 3.62Å; I1110-L1342 HydrophobicContact CD1-CD1 3.42Å; I1110-L1342 VanDerWaalsContact CD1-CD1 3.42Å |
| 1111 | L | 60.1 | Low | 52.5 | Low | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 174.9 | -80.6 | 171.3 | 0 | 0 | 0 | 112 | S1107 E1108 F1113 L1114 E1115 I1328 F1331 I1332 | S1107-L1111 PolarHBondContact O-N 3.16Å; E1108-L1111 PolarHBondContact O-N 3.13Å; L1111-F1113 VanDerWaalsContact C-N 3.33Å; L1111-F1113 PolarHBondContact O-N 3.04Å; L1111-L1114 PolarHBondContact O-N 3.41Å; L1111-E1115 WeakPolarHBondContact O-CB 3.44Å; L1111-E1115 PolarHBondContact O-N 2.8Å; L1111-I1328 HydrophobicContact CD2-CG1 4.38Å; L1111-I1328 HydrophobicContact CD2-CG2 4.46Å; L1111-F1331 HydrophobicContact CD1-CD1 3.76Å; L1111-F1331 HydrophobicContact CD1-CE1 4.11Å; L1111-F1331 HydrophobicContact CD2-CB 4.29Å; L1111-F1331 HydrophobicContact CD2-CD1 3.77Å; L1111-F1331 HydrophobicContact CD2-CE1 4.33Å; L1111-F1331 HydrophobicContact CD2-CG 4.15Å; L1111-F1331 HydrophobicContact CG-CD1 3.52Å; L1111-F1331 HydrophobicContact CG-CE1 3.69Å; L1111-F1331 HydrophobicContact CG-CG 4.36Å; L1111-I1332 HydrophobicContact CD1-CG1 4.17Å |
| 1112 | Y | 58.9 | Low | 52.8 | Low | 41 Ų | 41 | 49.4 Ų | 49.4 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.9 | 179 | -96.4 | 0 | 0 | 0 | 111.9 | V140 V1101 L1103 E1108 M1109 K1116 | V140-Y1112 HydrophobicContact CB-CE1 4.27Å; V140-Y1112 HydrophobicContact CG1-CE1 3.64Å; V140-Y1112 VanDerWaalsContact CG1-OH 3.23Å; V140-Y1112 WeakPolarHBondContact CG1-OH 3.39Å; V140-Y1112 HydrophobicContact CG2-CD1 4.1Å; V140-Y1112 HydrophobicContact CG2-CE1 3.53Å; V1101-Y1112 HydrophobicContact CG2-CD2 4.22Å; V1101-Y1112 HydrophobicContact CG2-CE2 4.19Å; L1103-Y1112 HydrophobicContact CD2-CG 4.08Å; E1108-Y1112 WeakPolarHBondContact O-CB 3.24Å; E1108-Y1112 PolarHBondContact O-N 3.04Å; M1109-Y1112 PolarHBondContact O-N 3.48Å; Y1112-K1116 HydrophobicContact CE1-CD 3.9Å; Y1112-K1116 VanDerWaalsContact O-CB 3.25Å; Y1112-K1116 WeakPolarHBondContact O-CB 3.25Å; Y1112-K1116 PolarHBondContact O-N 2.98Å; Y1112-K1116 PolarHBondContact OH-NZ 3.45Å; Y1112-K1116 VanDerWaalsContact OH-NZ 3.12Å |
| 1113 | F | 55.1 | Low | 52.6 | Low | 35 Ų | 35 | 47.9 Ų | 47.9 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 173.3 | -93.2 | -96.9 | 0 | 0 | 0 | 112.4 | F136 I139 V140 L143 M1109 I1110 L1111 K1116 S1117 I1419 | F136-F1113 HydrophobicContact CD1-CD2 4.22Å; F136-F1113 AromaticContact CD1-CE2 3.41Å; F136-F1113 HydrophobicContact CD1-CE2 3.41Å; F136-F1113 VanDerWaalsContact CD1-CE2 3.41Å; F136-F1113 AromaticContact CD1-CZ 3.86Å; F136-F1113 HydrophobicContact CD1-CZ 3.86Å; F136-F1113 HydrophobicContact CE1-CD2 4.22Å; F136-F1113 AromaticContact CE1-CE2 3.71Å; F136-F1113 HydrophobicContact CE1-CE2 3.71Å; F136-F1113 HydrophobicContact CE1-CZ 4.04Å; F136-F1113 HydrophobicContact CG-CE2 4.46Å; I139-F1113 HydrophobicContact CG2-CZ 3.95Å; V140-F1113 HydrophobicContact CG2-CE2 3.99Å; V140-F1113 HydrophobicContact CG2-CZ 4.31Å; L143-F1113 HydrophobicContact CD1-CE1 4.25Å; L143-F1113 HydrophobicContact CD1-CZ 4.39Å; M1109-F1113 WeakPolarHBondContact O-CD2 3.44Å; M1109-F1113 PolarHBondContact O-N 3.08Å; I1110-F1113 PolarHBondContact O-N 3.37Å; L1111-F1113 VanDerWaalsContact C-N 3.33Å; L1111-F1113 PolarHBondContact O-N 3.04Å; F1113-K1116 PolarHBondContact O-N 3.17Å; F1113-S1117 WeakPolarHBondContact O-CB 3.13Å; F1113-S1117 PolarHBondContact O-N 3.1Å; F1113-S1117 PolarHBondContact O-OG 3.37Å; F1113-I1419 HydrophobicContact CD1-CD1 4.32Å; F1113-I1419 HydrophobicContact CE1-CD1 3.81Å; F1113-I1419 HydrophobicContact CE1-CG1 4.26Å |
| 1114 | L | 58.2 | Low | 51.8 | Low | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 174.9 | -71.7 | 168.8 | 0 | 0 | 0 | 111.8 | I1110 L1111 S1117 I1118 L1403 | I1110-L1114 HydrophobicContact CG2-CD1 3.87Å; I1110-L1114 HydrophobicContact CG2-CG 4.34Å; I1110-L1114 WeakPolarHBondContact O-CB 3.21Å; I1110-L1114 VanDerWaalsContact O-CG 3.3Å; I1110-L1114 WeakPolarHBondContact O-CG 3.14Å; I1110-L1114 PolarHBondContact O-N 3.21Å; L1111-L1114 PolarHBondContact O-N 3.41Å; L1114-S1117 PolarHBondContact O-N 3.32Å; L1114-I1118 WeakPolarHBondContact O-CB 3.09Å; L1114-I1118 WeakPolarHBondContact O-CG1 3.43Å; L1114-I1118 PolarHBondContact O-N 2.98Å; L1114-L1403 HydrophobicContact CD2-CD2 4.27Å |
| 1115 | E | 60.9 | Low | 51 | Low | 101 Ų | 101 | 51.5 Ų | 51.5 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.5 | -178.2 | 173 | -157.1 | 0 | 0 | 112 | L1111 S1117 I1118 T1119 Y1324 | L1111-E1115 WeakPolarHBondContact O-CB 3.44Å; L1111-E1115 PolarHBondContact O-N 2.8Å; E1115-S1117 VanDerWaalsContact C-N 3.28Å; E1115-S1117 PolarHBondContact O-N 2.82Å; E1115-I1118 PolarHBondContact O-N 2.82Å; E1115-T1119 HydrophobicContact CG-CG2 4.38Å; E1115-T1119 WeakPolarHBondContact O-CB 3.21Å; E1115-T1119 WeakPolarHBondContact O-CG2 3.3Å; E1115-T1119 PolarHBondContact O-N 3.47Å; E1115-T1119 PolarHBondContact O-OG1 2.99Å; E1115-Y1324 VanDerWaalsContact CA-OH 3.25Å; E1115-Y1324 WeakPolarHBondContact CA-OH 3.33Å; E1115-Y1324 WeakPolarHBondContact CB-OH 3.3Å |
| 1116 | K | 54.3 | Low | 49.7 | Very low | 66 Ų | 66 | 55.4 Ų | 55.4 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68 | -28.2 | 177.3 | -157.7 | 161.3 | -168.3 | 167.2 | 0 | 112.9 | Y1112 F1113 T1119 S1120 | Y1112-K1116 HydrophobicContact CE1-CD 3.9Å; Y1112-K1116 VanDerWaalsContact O-CB 3.25Å; Y1112-K1116 WeakPolarHBondContact O-CB 3.25Å; Y1112-K1116 PolarHBondContact O-N 2.98Å; Y1112-K1116 PolarHBondContact OH-NZ 3.45Å; Y1112-K1116 VanDerWaalsContact OH-NZ 3.12Å; F1113-K1116 PolarHBondContact O-N 3.17Å; K1116-T1119 WeakPolarHBondContact CA-OG1 3.09Å; K1116-T1119 PolarHBondContact O-OG1 3.49Å; K1116-S1120 PolarHBondContact O-OG 2.91Å |
| 1117 | S | 47.9 | Very low | 48.3 | Very low | 23 Ų | 23 | 61.9 Ų | 61.9 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -77.1 | -22.1 | 175.3 | -57.4 | 0 | 0 | 0 | 0 | 114 | F1113 L1114 E1115 S1120 M1411 H1415 | F1113-S1117 WeakPolarHBondContact O-CB 3.13Å; F1113-S1117 PolarHBondContact O-N 3.1Å; F1113-S1117 PolarHBondContact O-OG 3.37Å; L1114-S1117 PolarHBondContact O-N 3.32Å; E1115-S1117 VanDerWaalsContact C-N 3.28Å; E1115-S1117 PolarHBondContact O-N 2.82Å; S1117-S1120 PolarHBondContact O-OG 3.5Å; S1117-M1411 WeakPolarHBondContact O-CE 3.23Å; S1117-H1415 VanDerWaalsContact CA-CE1 3.48Å; S1117-H1415 WeakPolarHBondContact CA-CE1 3.46Å |
| 1118 | I | 51.1 | Low | 46.9 | Very low | 47 Ų | 47 | 68.6 Ų | 68.6 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -105.6 | -22.8 | -177 | -67 | 168.7 | 0 | 0 | 0 | 111.6 | L1114 E1115 L1121 S1122 Y1324 | L1114-I1118 WeakPolarHBondContact O-CB 3.09Å; L1114-I1118 WeakPolarHBondContact O-CG1 3.43Å; L1114-I1118 PolarHBondContact O-N 2.98Å; E1115-I1118 PolarHBondContact O-N 2.82Å; I1118-L1121 WeakPolarHBondContact O-CB 3.31Å; I1118-L1121 PolarHBondContact O-N 3.12Å; I1118-S1122 PolarHBondContact O-N 3.01Å; I1118-S1122 VanDerWaalsContact O-N 3.13Å; I1118-S1122 PolarHBondContact O-OG 2.94Å; I1118-Y1324 HydrophobicContact CB-CE2 4.49Å; I1118-Y1324 HydrophobicContact CD1-CD2 3.47Å; I1118-Y1324 VanDerWaalsContact CD1-CD2 3.47Å; I1118-Y1324 HydrophobicContact CD1-CE2 3.66Å; I1118-Y1324 HydrophobicContact CD1-CG 4.21Å; I1118-Y1324 HydrophobicContact CG2-CD1 4.32Å; I1118-Y1324 HydrophobicContact CG2-CE1 4.34Å; I1118-Y1324 HydrophobicContact CG2-CG 4.42Å |
| 1119 | T | 50.6 | Low | 45.6 | Very low | 67 Ų | 67 | 70.9 Ų | 70.9 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.1 | -31.8 | 165.9 | 46.5 | 0 | 0 | 0 | 0 | 112.2 | E1115 K1116 S1122 T1123 | E1115-T1119 HydrophobicContact CG-CG2 4.38Å; E1115-T1119 WeakPolarHBondContact O-CB 3.21Å; E1115-T1119 WeakPolarHBondContact O-CG2 3.3Å; E1115-T1119 PolarHBondContact O-N 3.47Å; E1115-T1119 PolarHBondContact O-OG1 2.99Å; K1116-T1119 WeakPolarHBondContact CA-OG1 3.09Å; K1116-T1119 PolarHBondContact O-OG1 3.49Å; T1119-S1122 WeakPolarHBondContact CA-OG 3.35Å; T1119-S1122 PolarHBondContact O-N 3.42Å; T1119-S1122 PolarHBondContact O-OG 3.36Å; T1119-T1123 PolarHBondContact O-N 3.26Å; T1119-T1123 PolarHBondContact O-OG1 3.47Å; T1119-T1123 VanDerWaalsContact O-OG1 3.05Å |
| 1120 | S | 46.1 | Very low | 44.3 | Very low | 34 Ų | 34 | 77.5 Ų | 77.5 | 24% | 0.238 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 167.6 | 61.4 | 0 | 0 | 0 | 0 | 112 | K1116 S1117 S1122 T1123 S1124 | K1116-S1120 PolarHBondContact O-OG 2.91Å; S1117-S1120 PolarHBondContact O-OG 3.5Å; S1120-S1122 PolarHBondContact O-N 2.94Å; S1120-T1123 PolarHBondContact O-N 2.89Å; S1120-T1123 PolarHBondContact O-OG1 2.95Å; S1120-T1123 VanDerWaalsContact O-OG1 3.08Å; S1120-S1124 PolarHBondContact O-N 3.44Å; S1120-S1124 PolarHBondContact O-OG 3Å |
| 1121 | L | 38.7 | Very low | 42.9 | Very low | 82 Ų | 82 | 82.8 Ų | 82.8 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.8 | -20.4 | 176 | -170 | 60 | 0 | 0 | 0 | 114.4 | I1118 S1124 M1411 | I1118-L1121 WeakPolarHBondContact O-CB 3.31Å; I1118-L1121 PolarHBondContact O-N 3.12Å; L1121-S1124 PolarHBondContact O-OG 3.41Å; L1121-S1124 VanDerWaalsContact O-OG 3.12Å; L1121-M1411 HydrophobicContact CB-CE 3.87Å; L1121-M1411 HydrophobicContact CD1-CE 4.01Å; L1121-M1411 HydrophobicContact CD1-CG 4.19Å; L1121-M1411 HydrophobicContact CD1-SD 3.91Å; L1121-M1411 HydrophobicContact CG-CE 4.4Å |
| 1122 | S | 40.3 | Very low | 41.5 | Very low | 88 Ų | 88 | 85.2 Ų | 85.2 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -101.5 | -7.5 | 179 | 38.7 | 0 | 0 | 0 | 0 | 113.9 | I1118 T1119 S1120 | I1118-S1122 PolarHBondContact O-N 3.01Å; I1118-S1122 VanDerWaalsContact O-N 3.13Å; I1118-S1122 PolarHBondContact O-OG 2.94Å; T1119-S1122 WeakPolarHBondContact CA-OG 3.35Å; T1119-S1122 PolarHBondContact O-N 3.42Å; T1119-S1122 PolarHBondContact O-OG 3.36Å; S1120-S1122 PolarHBondContact O-N 2.94Å |
| 1123 | T | 38.4 | Very low | 40.2 | Very low | 112 Ų | 112 | 86.4 Ų | 86.4 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -93.1 | -18.4 | 169.9 | 44.5 | 0 | 0 | 0 | 0 | 113.1 | T1119 S1120 S1125 | T1119-T1123 PolarHBondContact O-N 3.26Å; T1119-T1123 PolarHBondContact O-OG1 3.47Å; T1119-T1123 VanDerWaalsContact O-OG1 3.05Å; S1120-T1123 PolarHBondContact O-N 2.89Å; S1120-T1123 PolarHBondContact O-OG1 2.95Å; S1120-T1123 VanDerWaalsContact O-OG1 3.08Å; T1123-S1125 PolarHBondContact O-N 3.33Å |
| 1124 | S | 32 | Very low | 39 | Very low | 85 Ų | 85 | 89.9 Ų | 89.9 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | trans | -73 | 60.3 | 170.2 | 50 | 0 | 0 | 0 | 0 | 113.2 | S1120 L1121 | S1120-S1124 PolarHBondContact O-N 3.44Å; S1120-S1124 PolarHBondContact O-OG 3Å; L1121-S1124 PolarHBondContact O-OG 3.41Å; L1121-S1124 VanDerWaalsContact O-OG 3.12Å | ||
| 1125 | S | 30.1 | Very low | 37.6 | Very low | 95 Ų | 95 | 94 Ų | 94 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | trans | -73.6 | 153.2 | 176.4 | 62 | 0 | 0 | 0 | 0 | 112.8 | T1123 L1127 | T1123-S1125 PolarHBondContact O-N 3.33Å; S1125-L1127 PolarHBondContact O-N 3.12Å | ||
| 1126 | P | 27.9 | Very low | 36.2 | Very low | 97 Ų | 97 | 92.3 Ų | 92.3 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -93.6 | 91.3 | -149.7 | 35 | -36.1 | 0 | 0 | 0 | 114.6 | ||
| 1127 | L | 27.7 | Very low | 35.1 | Very low | 149 Ų | 149 | 93 Ų | 93 | 78% | 0.78 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -126.8 | 3.5 | 175.3 | -99.2 | 166.4 | 0 | 0 | 0 | 116.4 | S1125 | S1125-L1127 PolarHBondContact O-N 3.12Š|
| 1128 | N | 29.8 | Very low | 34.2 | Very low | 141 Ų | 141 | 100.3 Ų | 100.3 | 75% | 0.754 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -123.1 | -9.9 | -177.8 | -103.5 | -34.2 | 0 | 0 | 0 | 116.5 | K1130 | N1128-K1130 VanDerWaalsContact C-N 3.31Å; N1128-K1130 PolarHBondContact O-N 3.25Å |
| 1129 | E | 32.3 | Very low | 33.2 | Very low | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.542 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.6 | -23.7 | -176 | -67.4 | 179 | 106.8 | 0 | 0 | 114.1 | K1131 S1132 S1133 K1313 | E1129-K1131 PolarHBondContact O-N 3.33Å; E1129-S1132 PolarHBondContact O-OG 3.47Å; E1129-S1133 PolarHBondContact O-OG 3.02Å; E1129-S1133 VanDerWaalsContact O-OG 3.1Å; E1129-K1313 IonicContact OE1-NZ 2.64Å; E1129-K1313 IonicContact OE2-NZ 2.77Å; E1129-K1313 PolarHBondContact OE2-NZ 3.02Å |
| 1130 | K | 30.6 | Very low | 32.3 | Very low | 142 Ų | 142 | 105.4 Ų | 105.4 | 62% | 0.617 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -76.3 | 1.2 | -177.7 | -124 | 177.1 | -178.5 | 176.5 | 0 | 114.3 | N1128 D1183 | N1128-K1130 VanDerWaalsContact C-N 3.31Å; N1128-K1130 PolarHBondContact O-N 3.25Å; K1130-D1183 IonicContact NZ-OD1 3.19Å; K1130-D1183 IonicContact NZ-OD2 3.48Å; K1130-D1183 PolarHBondContact NZ-OD2 2.84Å |
| 1131 | K | 30.3 | Very low | 31.4 | Very low | 159 Ų | 159 | 109.5 Ų | 109.5 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -119.5 | -14.8 | 178.3 | -92.9 | 173.2 | 177.4 | 160.8 | 0 | 115.8 | E1129 | E1129-K1131 PolarHBondContact O-N 3.33Å |
| 1132 | S | 29.8 | Very low | 31.1 | Very low | 81 Ų | 81 | 110.6 Ų | 110.6 | 57% | 0.566 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84.4 | -36.5 | 173.3 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | E1129 N1135 S1136 | E1129-S1132 PolarHBondContact O-OG 3.47Å; S1132-N1135 PolarHBondContact O-N 3.35Å; S1132-S1136 PolarHBondContact O-N 3.3Å |
| 1133 | S | 32.7 | Very low | 30.6 | Very low | 65 Ų | 65 | 110.6 Ų | 110.6 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67 | -32.1 | -178.8 | 45 | 0 | 0 | 0 | 0 | 114.7 | E1129 S1136 T1137 | E1129-S1133 PolarHBondContact O-OG 3.02Å; E1129-S1133 VanDerWaalsContact O-OG 3.1Å; S1133-S1136 PolarHBondContact O-OG 3.46Å; S1133-T1137 PolarHBondContact O-OG1 2.85Å |
| 1134 | L | 29.5 | Very low | 30.2 | Very low | 108 Ų | 108 | 111.3 Ų | 111.3 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.8 | -35 | 176.2 | -83.8 | 160.1 | 0 | 0 | 0 | 112.6 | Y1138 | L1134-Y1138 PolarHBondContact O-N 2.93Å |
| 1135 | N | 29.3 | Very low | 30.1 | Very low | 117 Ų | 117 | 113.3 Ų | 113.3 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.9 | -30.6 | -175.6 | -72.1 | 6.2 | 0 | 0 | 0 | 112.9 | S1132 T1137 S1139 | S1132-N1135 PolarHBondContact O-N 3.35Å; N1135-T1137 VanDerWaalsContact C-N 3.34Å; N1135-S1139 PolarHBondContact O-N 3.47Å; N1135-S1139 PolarHBondContact O-OG 3.48Å; N1135-S1139 VanDerWaalsContact O-OG 3.1Å |
| 1136 | S | 30.4 | Very low | 29.9 | Very low | 65 Ų | 65 | 117.1 Ų | 117.1 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.3 | -32.2 | 173.5 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | S1132 S1133 S1139 | S1132-S1136 PolarHBondContact O-N 3.3Å; S1133-S1136 PolarHBondContact O-OG 3.46Å; S1136-S1139 WeakPolarHBondContact CA-OG 3.03Å; S1136-S1139 PolarHBondContact O-OG 2.85Å |
| 1137 | T | 31.3 | Very low | 29.9 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 49% | 0.485 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.3 | -44.8 | 177.1 | -50.1 | 0 | 0 | 0 | 0 | 111.4 | S1133 N1135 S1139 Q1140 L1141 | S1133-T1137 PolarHBondContact O-OG1 2.85Å; N1135-T1137 VanDerWaalsContact C-N 3.34Å; T1137-S1139 VanDerWaalsContact C-N 3.3Å; T1137-S1139 PolarHBondContact O-N 3.39Å; T1137-Q1140 PolarHBondContact O-N 2.92Å; T1137-Q1140 VanDerWaalsContact O-N 3.1Å; T1137-L1141 HydrophobicContact CG2-CD1 4.24Å; T1137-L1141 WeakPolarHBondContact O-CD1 3.07Å; T1137-L1141 PolarHBondContact O-N 3.42Å |
| 1138 | Y | 28.7 | Very low | 29.8 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 70% | 0.698 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.8 | -34 | 177.3 | -99.9 | -90.7 | 0 | 0 | 0 | 113.2 | L1134 Q1140 L1141 | L1134-Y1138 PolarHBondContact O-N 2.93Å; Y1138-Q1140 VanDerWaalsContact C-N 3.26Å; Y1138-Q1140 PolarHBondContact O-N 3.25Å; Y1138-L1141 PolarHBondContact O-N 2.89Å |
| 1139 | S | 31.1 | Very low | 29.7 | Very low | 80 Ų | 80 | 120.4 Ų | 120.4 | 56% | 0.559 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.9 | -14.5 | 174.8 | 51 | 0 | 0 | 0 | 0 | 115.1 | N1135 S1136 T1137 | N1135-S1139 PolarHBondContact O-N 3.47Å; N1135-S1139 PolarHBondContact O-OG 3.48Å; N1135-S1139 VanDerWaalsContact O-OG 3.1Å; S1136-S1139 WeakPolarHBondContact CA-OG 3.03Å; S1136-S1139 PolarHBondContact O-OG 2.85Å; T1137-S1139 VanDerWaalsContact C-N 3.3Å; T1137-S1139 PolarHBondContact O-N 3.39Å |
| 1140 | Q | 31.6 | Very low | 29.5 | Very low | 141 Ų | 141 | 119.9 Ų | 119.9 | 66% | 0.659 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -97.7 | -14.7 | 175.5 | -71.5 | -167.4 | -11.2 | 0 | 0 | 114.2 | T1137 Y1138 N1144 | T1137-Q1140 PolarHBondContact O-N 2.92Å; T1137-Q1140 VanDerWaalsContact O-N 3.1Å; Y1138-Q1140 VanDerWaalsContact C-N 3.26Å; Y1138-Q1140 PolarHBondContact O-N 3.25Å; Q1140-N1144 PolarHBondContact O-ND2 3.23Å |
| 1141 | L | 27.9 | Very low | 29.5 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 63% | 0.628 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -83 | -25.6 | 172.7 | -87.9 | 77.4 | 0 | 0 | 0 | 112.7 | T1137 Y1138 S1143 | T1137-L1141 HydrophobicContact CG2-CD1 4.24Å; T1137-L1141 WeakPolarHBondContact O-CD1 3.07Å; T1137-L1141 PolarHBondContact O-N 3.42Å; Y1138-L1141 PolarHBondContact O-N 2.89Å; L1141-S1143 VanDerWaalsContact C-N 3.31Å; L1141-S1143 PolarHBondContact O-N 3.11Å |
| 1142 | S | 31.2 | Very low | 29.3 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -2.5 | -175 | -165.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1143 | S | 30.9 | Very low | 29.2 | Very low | 88 Ų | 88 | 118 Ų | 118 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 2 | -177.3 | 67 | 0 | 0 | 0 | 0 | 114.8 | L1141 | L1141-S1143 VanDerWaalsContact C-N 3.31Å; L1141-S1143 PolarHBondContact O-N 3.11Å |
| 1144 | N | 29.7 | Very low | 29.1 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | trans | -115.9 | 26.9 | -171.8 | -68.2 | -41.9 | 0 | 0 | 0 | 113 | Q1140 | Q1140-N1144 PolarHBondContact O-ND2 3.23Š| ||
| 1145 | V | 30.1 | Very low | 29.1 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -100.4 | -14.1 | -174.8 | 177.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1146 | E | 26.1 | Very low | 29.2 | Very low | 175 Ų | 175 | 117.4 Ų | 117.4 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -116 | 147.6 | 173.8 | -63.7 | -169.5 | 136 | 0 | 0 | 111 | ||
| 1147 | M | 27 | Very low | 29.1 | Very low | 180 Ų | 180 | 121.3 Ų | 121.3 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 61.7 | 75.7 | -173 | -59.6 | -168.2 | -64.7 | 0 | 0 | 116.7 | ||
| 1148 | L | 26 | Very low | 29.1 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -160.5 | 49.9 | 134.1 | -109.1 | 166.1 | 0 | 0 | 0 | 112.5 | ||||
| 1149 | S | 26.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 117.8 Ų | 117.8 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -75.3 | 126.4 | 166.3 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1150 | S | 28.8 | Very low | 29.2 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 69.4 | 147.7 | -170 | 83.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1151 | S | 30 | Very low | 29.2 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | cis | -138.7 | 156.6 | 7.2 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1152 | S | 26.8 | Very low | 29.3 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -84.3 | 163.7 | -168.1 | 51.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1153 | S | 27.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 116.7 Ų | 116.7 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 73.6 | 151.4 | 159.6 | 81.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 1154 | A | 30.1 | Very low | 29.1 | Very low | 96 Ų | 96 | 118.1 Ų | 118.1 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | cis | -158.4 | 165.8 | 6.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1155 | A | 30.1 | Very low | 29 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | cis | -173.6 | 176.3 | -19.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1156 | A | 30.6 | Very low | 29 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 70.6 | 147.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1157 | T | 29.2 | Very low | 29 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | cis | -161.2 | 149.9 | -8.8 | 11.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1158 | G | 31 | Very low | 29 | Very low | 65 Ų | 65 | 118.8 Ų | 118.8 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 134.9 | 78.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1159 | S | 30.9 | Very low | 29.2 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | 35 | 135.6 | 123.4 | 56.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1160 | S | 32.1 | Very low | 29.2 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | -168.2 | 136.8 | 5.4 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1161 | S | 29.8 | Very low | 29.2 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 21.4 | 142.9 | 138.1 | 65.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1162 | S | 31 | Very low | 28.9 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -158.2 | -165.1 | 20.2 | 63.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1163 | S | 29.9 | Very low | 29 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | cis | -160 | -168.6 | 3.4 | 14.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1164 | V | 27.3 | Very low | 29 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | -177 | 148.2 | -67 | 146.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1165 | Q | 28.9 | Very low | 28.9 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 93.5 | 131.7 | 159.3 | -92.1 | 160.5 | -2.1 | 0 | 0 | 123.5 | ||||
| 1166 | M | 28.3 | Very low | 28.6 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 71.7 | 149.8 | 149.4 | -72.6 | -171.1 | 153.8 | 0 | 0 | 121.5 | ||||
| 1167 | M | 26.4 | Very low | 28.4 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | cis | -167.3 | 141.3 | -38.5 | -133.5 | 173 | 173.5 | 0 | 0 | 112 | ||||
| 1168 | N | 27.2 | Very low | 28.2 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 25.1 | 105.8 | 150.9 | -57.7 | 2 | 0 | 0 | 0 | 121.2 | ||||
| 1169 | S | 29.8 | Very low | 28 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -157 | 114.2 | 137.7 | -61.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1170 | L | 26.6 | Very low | 27.8 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | 59.8 | 127.2 | 78 | -61.4 | 177 | 0 | 0 | 0 | 113.9 | |||||
| 1171 | Q | 28.2 | Very low | 27.8 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 65% | 0.654 | 77% | 0.77 | S | S | * | * | cis | -164.9 | 125.4 | -13.5 | -174.6 | 168.9 | -15.2 | 0 | 0 | 111.2 | ||||
| 1172 | E | 25.7 | Very low | 27.8 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 56.9 | 171.2 | 154.9 | -64.6 | 170.4 | 143.9 | 0 | 0 | 121 | ||||
| 1173 | I | 28.1 | Very low | 27.7 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | 78.6 | 113.2 | 178.2 | -49.6 | 173.6 | 0 | 0 | 0 | 115.9 | ||||
| 1174 | N | 27.4 | Very low | 27.8 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | -156 | 103.8 | -20.6 | -156.4 | 29.2 | 0 | 0 | 0 | 112.3 | ||||
| 1175 | I | 27.4 | Very low | 28.3 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 61.3 | 133.6 | 146.1 | -63.3 | 174.9 | 0 | 0 | 0 | 119.7 | ||||
| 1176 | D | 24.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 61.6 | 47.4 | 162.9 | -58.9 | -12.3 | 0 | 0 | 0 | 119.8 | ||
| 1177 | N | 26.8 | Very low | 28.9 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | trans | -153.3 | 100.8 | 155.7 | -100.1 | -58.4 | 0 | 0 | 0 | 111.9 | ||||
| 1178 | M | 24.2 | Very low | 29.5 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | trans | 174.5 | 90 | 147.6 | -101.3 | -172.8 | -172.6 | 0 | 0 | 113 | ||||
| 1179 | T | 27 | Very low | 29.7 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | trans | -137.3 | 31.1 | 152.3 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | S1181 | T1179-S1181 PolarHBondContact O-N 3.29Š| ||
| 1180 | S | 27.3 | Very low | 29.9 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | trans | -75.2 | 65.2 | 175 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | I1182 | S1180-I1182 PolarHBondContact O-N 3.02Š| ||
| 1181 | S | 31.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | trans | -75.7 | 102.3 | 163.1 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | T1179 D1183 | T1179-S1181 PolarHBondContact O-N 3.29Å; S1181-D1183 PolarHBondContact O-N 3.04Å; S1181-D1183 VanDerWaalsContact O-N 3.16Å | ||
| 1182 | I | 31.4 | Very low | 30.6 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | trans | -63.1 | 113.8 | 179.1 | -62.9 | 166.4 | 0 | 0 | 0 | 108.4 | S1180 P1184 | S1180-I1182 PolarHBondContact O-N 3.02Å; I1182-P1184 WeakPolarHBondContact O-CD 3.29Å | ||
| 1183 | D | 28.9 | Very low | 30.8 | Very low | 85 Ų | 85 | 120 Ų | 120 | 46% | 0.455 | 65% | 0.653 | S | S | . | * | trans | -71.1 | 113.6 | 178.9 | -134.9 | -22.4 | 0 | 0 | 0 | 108.1 | K1130 S1181 W1185 D1186 | K1130-D1183 IonicContact NZ-OD1 3.19Å; K1130-D1183 IonicContact NZ-OD2 3.48Å; K1130-D1183 PolarHBondContact NZ-OD2 2.84Å; S1181-D1183 PolarHBondContact O-N 3.04Å; S1181-D1183 VanDerWaalsContact O-N 3.16Å; D1183-W1185 PolarHBondContact O-N 2.84Å; D1183-D1186 PolarHBondContact O-N 3.18Å | ||
| 1184 | P | 32 | Very low | 31 | Very low | 82 Ų | 82 | 119 Ų | 119 | 53% | 0.532 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | 31.6 | -168 | 33.7 | -36.4 | 0 | 0 | 0 | 113.4 | I1182 W1192 | I1182-P1184 WeakPolarHBondContact O-CD 3.29Å; P1184-W1192 WeakPolarHBondContact O-CH2 3.27Å; P1184-W1192 WeakPolarHBondContact O-CZ2 3.25Å |
| 1185 | W | 36.3 | Very low | 31.4 | Very low | 194 Ų | 194 | 116.2 Ų | 116.2 | 74% | 0.735 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.3 | 16 | -176 | -61.8 | 105.1 | 0 | 0 | 0 | 112.9 | D1183 I1187 W1192 | D1183-W1185 PolarHBondContact O-N 2.84Å; W1185-I1187 VanDerWaalsContact O-CG1 3.3Å; W1185-I1187 WeakPolarHBondContact O-CG1 3.35Å; W1185-I1187 PolarHBondContact O-N 2.99Å; W1185-W1192 HydrophobicContact CE3-CH2 4.27Å |
| 1186 | D | 36.5 | Very low | 31.6 | Very low | 67 Ų | 67 | 117.6 Ų | 117.6 | 36% | 0.358 | 64% | 0.641 | S | S | . | * | trans | -71.7 | 90.1 | 178.2 | -178.7 | 8.3 | 0 | 0 | 0 | 112.4 | D1183 T1188 N1189 W1192 | D1183-D1186 PolarHBondContact O-N 3.18Å; D1186-T1188 PolarHBondContact O-N 3.31Å; D1186-T1188 WeakPolarHBondContact OD1-CA 3.42Å; D1186-T1188 WeakPolarHBondContact OD1-CB 3.28Å; D1186-T1188 PolarHBondContact OD1-N 3.35Å; D1186-T1188 PolarHBondContact OD1-OG1 3.45Å; D1186-N1189 HydrophobicContact CB-CB 4.35Å; D1186-N1189 WeakPolarHBondContact O-CB 3.21Å; D1186-N1189 PolarHBondContact O-N 2.85Å; D1186-N1189 VanDerWaalsContact O-N 3.16Å; D1186-N1189 PolarHBondContact OD1-N 3.17Å; D1186-W1192 PolarHBondContact O-NE1 3.19Å | ||
| 1187 | I | 34.2 | Very low | 31.9 | Very low | 148 Ų | 148 | 117.2 Ų | 117.2 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -3.6 | 177.5 | -23.2 | 179.9 | 0 | 0 | 0 | 113.2 | W1185 | W1185-I1187 VanDerWaalsContact O-CG1 3.3Å; W1185-I1187 WeakPolarHBondContact O-CG1 3.35Å; W1185-I1187 PolarHBondContact O-N 2.99Å |
| 1188 | T | 38.5 | Very low | 32.1 | Very low | 103 Ų | 103 | 115.9 Ų | 115.9 | 63% | 0.632 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -11.9 | 175.5 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | D1186 | D1186-T1188 PolarHBondContact O-N 3.31Å; D1186-T1188 WeakPolarHBondContact OD1-CA 3.42Å; D1186-T1188 WeakPolarHBondContact OD1-CB 3.28Å; D1186-T1188 PolarHBondContact OD1-N 3.35Å; D1186-T1188 PolarHBondContact OD1-OG1 3.45Å |
| 1189 | N | 31.9 | Very low | 32.3 | Very low | 58 Ų | 58 | 110.6 Ų | 110.6 | 31% | 0.31 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -72.9 | 125.1 | 174 | 173.3 | -11.8 | 0 | 0 | 0 | 110.3 | D1186 C1191 W1192 | D1186-N1189 HydrophobicContact CB-CB 4.35Å; D1186-N1189 WeakPolarHBondContact O-CB 3.21Å; D1186-N1189 PolarHBondContact O-N 2.85Å; D1186-N1189 VanDerWaalsContact O-N 3.16Å; D1186-N1189 PolarHBondContact OD1-N 3.17Å; N1189-C1191 PolarHBondContact O-N 3.3Å; N1189-C1191 WeakPolarHBondContact OD1-CB 3.36Å; N1189-C1191 PolarHBondContact OD1-N 3.31Å; N1189-C1191 PolarHBondContact OD1-SG 2.8Å; N1189-W1192 PolarHBondContact O-N 2.99Å |
| 1190 | P | 34.9 | Very low | 32.3 | Very low | 95 Ų | 95 | 110 Ų | 110 | 62% | 0.617 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -22 | -175.7 | 22.6 | -34 | 0 | 0 | 0 | 114.6 | W1192 N1193 | P1190-W1192 PolarHBondContact O-N 2.85Å; P1190-N1193 WeakPolarHBondContact O-CB 3.25Å; P1190-N1193 PolarHBondContact O-N 3.02Å; P1190-N1193 VanDerWaalsContact O-N 3.14Å |
| 1191 | C | 34.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 110.9 Ų | 110.9 | 51% | 0.507 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.4 | -25.8 | 176.2 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | N1189 N1193 E1194 A1195 | N1189-C1191 PolarHBondContact O-N 3.3Å; N1189-C1191 WeakPolarHBondContact OD1-CB 3.36Å; N1189-C1191 PolarHBondContact OD1-N 3.31Å; N1189-C1191 PolarHBondContact OD1-SG 2.8Å; C1191-N1193 VanDerWaalsContact C-N 3.31Å; C1191-N1193 PolarHBondContact O-N 2.74Å; C1191-E1194 PolarHBondContact O-N 3.05Å; C1191-A1195 PolarHBondContact O-N 3.4Å |
| 1192 | W | 34.7 | Very low | 32.2 | Very low | 74 Ų | 74 | 113.1 Ų | 113.1 | 28% | 0.28 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.1 | -26.7 | 177.3 | -75.7 | 81.9 | 0 | 0 | 0 | 113.1 | P1184 W1185 D1186 N1189 P1190 E1194 A1195 F1196 | P1184-W1192 WeakPolarHBondContact O-CH2 3.27Å; P1184-W1192 WeakPolarHBondContact O-CZ2 3.25Å; W1185-W1192 HydrophobicContact CE3-CH2 4.27Å; D1186-W1192 PolarHBondContact O-NE1 3.19Å; N1189-W1192 PolarHBondContact O-N 2.99Å; P1190-W1192 PolarHBondContact O-N 2.85Å; W1192-E1194 VanDerWaalsContact C-N 3.29Å; W1192-E1194 PolarHBondContact O-N 3.13Å; W1192-A1195 PolarHBondContact O-N 2.73Å; W1192-F1196 HydrophobicContact CE3-CD2 4.26Å; W1192-F1196 HydrophobicContact CE3-CE2 4.3Å; W1192-F1196 HydrophobicContact CZ3-CE2 4.1Å; W1192-F1196 PolarHBondContact O-N 3Å |
| 1193 | N | 30.6 | Very low | 32 | Very low | 116 Ų | 116 | 109.9 Ų | 109.9 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.6 | -25.6 | 174.4 | -71.5 | -35.7 | 0 | 0 | 0 | 112.3 | P1190 C1191 | P1190-N1193 WeakPolarHBondContact O-CB 3.25Å; P1190-N1193 PolarHBondContact O-N 3.02Å; P1190-N1193 VanDerWaalsContact O-N 3.14Å; C1191-N1193 VanDerWaalsContact C-N 3.31Å; C1191-N1193 PolarHBondContact O-N 2.74Å |
| 1194 | E | 32.3 | Very low | 31.9 | Very low | 140 Ų | 140 | 113 Ų | 113 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -81.5 | -29.4 | 172.1 | -65 | -169.4 | 121.8 | 0 | 0 | 112.5 | C1191 W1192 N1198 | C1191-E1194 PolarHBondContact O-N 3.05Å; W1192-E1194 VanDerWaalsContact C-N 3.29Å; W1192-E1194 PolarHBondContact O-N 3.13Å; E1194-N1198 PolarHBondContact O-ND2 2.94Å |
| 1195 | A | 34.5 | Very low | 31.7 | Very low | 73 Ų | 73 | 114.1 Ų | 114.1 | 60% | 0.603 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.2 | -30 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1191 W1192 | C1191-A1195 PolarHBondContact O-N 3.4Å; W1192-A1195 PolarHBondContact O-N 2.73Å |
| 1196 | F | 31.9 | Very low | 31.3 | Very low | 165 Ų | 165 | 111.5 Ų | 111.5 | 72% | 0.724 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -104.1 | -3.5 | -176.2 | -99.9 | -87.3 | 0 | 0 | 0 | 115.6 | W1192 | W1192-F1196 HydrophobicContact CE3-CD2 4.26Å; W1192-F1196 HydrophobicContact CE3-CE2 4.3Å; W1192-F1196 HydrophobicContact CZ3-CE2 4.1Å; W1192-F1196 PolarHBondContact O-N 3Å |
| 1197 | L | 31.1 | Very low | 31 | Very low | 139 Ų | 139 | 114.7 Ų | 114.7 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -116.8 | 9 | -176.5 | -74.6 | 169.4 | 0 | 0 | 0 | 115.1 | ||
| 1198 | N | 29.8 | Very low | 30.6 | Very low | 136 Ų | 136 | 111.4 Ų | 111.4 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -119.6 | 63.2 | 173.8 | -68.6 | -66.2 | 0 | 0 | 0 | 110.2 | E1194 | E1194-N1198 PolarHBondContact O-ND2 2.94Š| ||
| 1199 | G | 28.6 | Very low | 30.2 | Very low | 66 Ų | 66 | 112.7 Ų | 112.7 | 68% | 0.68 | 67% | 0.666 | S | S | * | * | 121.2 | -159.2 | 75.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1200 | P | 27.9 | Very low | 30.1 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 86% | 0.857 | 68% | 0.684 | S | S | * | * | cis | -130.8 | 146.2 | -10.1 | 38.4 | -22.8 | 0 | 0 | 0 | 114.1 | ||||
| 1201 | S | 27.8 | Very low | 29.7 | Very low | 119 Ų | 119 | 116.4 Ų | 116.4 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | trans | -157.8 | 144.3 | 150.2 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | S1203 | S1201-S1203 PolarHBondContact O-N 2.67Š| ||
| 1202 | L | 28.3 | Very low | 29.5 | Very low | 160 Ų | 160 | 118.2 Ų | 118.2 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | trans | -39.3 | 119.2 | -179.4 | -77.4 | 52.9 | 0 | 0 | 0 | 112.4 | ||||
| 1203 | S | 27.1 | Very low | 29.3 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 57% | 0.566 | 73% | 0.729 | S | S | * | * | 73.2 | 133.4 | 62.6 | 80.4 | 0 | 0 | 0 | 0 | 114.8 | S1201 | S1201-S1203 PolarHBondContact O-N 2.67Š| |||
| 1204 | N | 27.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | 75.2 | 142 | 159.9 | -57.5 | -19.7 | 0 | 0 | 0 | 116.2 | ||||
| 1205 | V | 28.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | cis | -157.7 | 146.8 | 1.5 | 112 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1206 | I | 27.7 | Very low | 28.9 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | 23.2 | 126.6 | 146.6 | -41.8 | 157.5 | 0 | 0 | 0 | 116.3 | ||||
| 1207 | T | 30 | Very low | 28.7 | Very low | 134 Ų | 134 | 121.3 Ų | 121.3 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | -167 | 152 | 71.5 | -42.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1208 | A | 26.1 | Very low | 28.6 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | -87.9 | 154.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1209 | T | 29.6 | Very low | 28.5 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | -178.4 | 122.8 | 129.7 | 37.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1210 | T | 29.3 | Very low | 28.6 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | 95.7 | 118.8 | 70.5 | -51.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1211 | T | 27.7 | Very low | 28.8 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | 65.6 | 137.4 | 155.3 | 50.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1212 | T | 29.9 | Very low | 28.9 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | trans | 55.7 | 108.1 | 142.6 | 56.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1213 | T | 28.7 | Very low | 29 | Very low | 151 Ų | 151 | 117.6 Ų | 117.6 | 93% | 0.926 | 72% | 0.724 | S | S | * | * | trans | -64.3 | 126.2 | 146.2 | 25.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1214 | T | 32.7 | Very low | 29.2 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -85.8 | 165.6 | -177.8 | 48 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1215 | T | 27.6 | Very low | 29.4 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | -69.9 | 177.3 | 172.3 | 52 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1216 | T | 29.6 | Very low | 29.5 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | trans | 73 | 92.1 | 150.4 | 35.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1217 | T | 28.4 | Very low | 29.7 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | 73.8 | 141.2 | 121.3 | 50.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 1218 | S | 28.1 | Very low | 29.7 | Very low | 96 Ų | 96 | 115.7 Ų | 115.7 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | trans | 79.3 | 107.3 | 138.9 | 58.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1219 | T | 29.2 | Very low | 30 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | 78.4 | 115 | 124.3 | 57.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1220 | T | 29.3 | Very low | 30 | Very low | 120 Ų | 120 | 117 Ų | 117 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | 83.5 | 147.3 | 127.7 | 52.4 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1221 | T | 31.6 | Very low | 30.1 | Very low | 115 Ų | 115 | 115.4 Ų | 115.4 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | 77.2 | 87.5 | 146.9 | 38.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1222 | T | 30 | Very low | 30.3 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | 67 | 128.6 | 113.1 | 54.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 1223 | T | 30.7 | Very low | 30.6 | Very low | 113 Ų | 113 | 116.1 Ų | 116.1 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | trans | 84.5 | 122.3 | 130.8 | 51.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1224 | T | 31 | Very low | 30.8 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | 88.6 | 119.4 | 127.1 | 52.4 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1225 | T | 32.4 | Very low | 30.9 | Very low | 110 Ų | 110 | 114.4 Ų | 114.4 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | 76.9 | 122.9 | 127.1 | 58 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1226 | T | 30.8 | Very low | 31.4 | Very low | 117 Ų | 117 | 114 Ų | 114 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | trans | 66.7 | 148.9 | 131.4 | 61.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1227 | T | 31.1 | Very low | 31.7 | Very low | 111 Ų | 111 | 114.7 Ų | 114.7 | 68% | 0.681 | 70% | 0.702 | S | S | * | * | cis | -167.5 | 152.1 | -7.4 | 21 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1228 | T | 30.3 | Very low | 32 | Very low | 118 Ų | 118 | 116 Ų | 116 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | trans | 61.6 | 151.6 | 143.6 | 57.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1229 | T | 31.5 | Very low | 32.2 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 69% | 0.693 | 70% | 0.704 | S | S | * | * | trans | 87.2 | 95.9 | 139 | 34.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1230 | T | 31.1 | Very low | 32.4 | Very low | 123 Ų | 123 | 116.7 Ų | 116.7 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | 65.9 | 111.7 | 117.9 | 56.3 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1231 | A | 30.8 | Very low | 32.5 | Very low | 83 Ų | 83 | 118 Ų | 118 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | 89.6 | 154.2 | 110.7 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1232 | T | 32.4 | Very low | 32.5 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | trans | 75.6 | 155.8 | 170.2 | 76.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1233 | T | 34.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 68% | 0.681 | 71% | 0.709 | S | S | * | * | cis | -156 | 151.4 | 7.6 | -7.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1234 | T | 33.6 | Very low | 32.7 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | trans | 65.3 | 133.2 | 142.3 | 49.5 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 1235 | D | 35.3 | Very low | 32.9 | Very low | 126 Ų | 126 | 117.7 Ų | 117.7 | 67% | 0.674 | 71% | 0.706 | S | S | * | * | 108.9 | 113.6 | 123.9 | -82.1 | 26.6 | 0 | 0 | 0 | 125.8 | |||||
| 1236 | N | 36.4 | Very low | 32.8 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | 90.9 | 100 | 127.3 | -67.5 | -25 | 0 | 0 | 0 | 125.2 | |||||
| 1237 | N | 36.2 | Very low | 32.8 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | 102.6 | 126.2 | 111.8 | -69.5 | -20 | 0 | 0 | 0 | 123.7 | |||||
| 1238 | N | 34.5 | Very low | 32.8 | Very low | 149 Ų | 149 | 119.9 Ų | 119.9 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | 73.6 | 136.2 | 147.9 | -61 | -18 | 0 | 0 | 0 | 119.5 | ||||
| 1239 | S | 33.5 | Very low | 32.8 | Very low | 95 Ų | 95 | 119 Ų | 119 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | cis | -163.8 | 155.2 | -3.7 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1240 | T | 32.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 82% | 0.816 | 71% | 0.705 | S | S | * | * | trans | 65.1 | 138.1 | 157.5 | 43.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 1241 | H | 32.6 | Very low | 32.6 | Very low | 149 Ų | 149 | 117.2 Ų | 117.2 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | cis | -163.2 | 121.4 | 0.6 | 174.9 | -87 | 0 | 0 | 0 | 113.1 | ||||
| 1242 | L | 29.8 | Very low | 32.4 | Very low | 145 Ų | 145 | 117.8 Ų | 117.8 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | trans | 57.2 | 150 | 168.1 | -85.6 | 58.1 | 0 | 0 | 0 | 118.5 | ||||
| 1243 | G | 32.6 | Very low | 32.3 | Very low | 68 Ų | 68 | 116.4 Ų | 116.4 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | cis | 115.7 | 144.7 | 3.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1244 | S | 32.4 | Very low | 31.9 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | cis | -171.3 | 175.8 | -4.8 | 38.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1245 | H | 35.4 | Very low | 31.7 | Very low | 140 Ų | 140 | 115.1 Ų | 115.1 | 65% | 0.648 | 70% | 0.697 | S | S | * | * | trans | 114.6 | 104.9 | 156.9 | -66.3 | -81.9 | 0 | 0 | 0 | 115.7 | ||||
| 1246 | Q | 31.6 | Very low | 31.3 | Very low | 155 Ų | 155 | 117 Ų | 117 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | 82.5 | 148.6 | 83.4 | -78.7 | -173.2 | -22.3 | 0 | 0 | 112.8 | |||||
| 1247 | L | 30.5 | Very low | 30.9 | Very low | 133 Ų | 133 | 118 Ų | 118 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | cis | -159.8 | 154.6 | 5.9 | -124 | 164.8 | 0 | 0 | 0 | 111 | ||||
| 1248 | S | 31.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | 33.4 | 157.1 | 144 | 60.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1249 | S | 30.4 | Very low | 30.1 | Very low | 99 Ų | 99 | 116.2 Ų | 116.2 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | cis | -179.6 | 175.6 | -24.1 | 59.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1250 | S | 29.5 | Very low | 30 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | 23.9 | 146.1 | 142.9 | 63.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1251 | S | 28.6 | Very low | 29.8 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | cis | -179.1 | 168.7 | -10.7 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1252 | S | 26.9 | Very low | 29.7 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | trans | 63.3 | 129.7 | 143.4 | 56.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 1253 | S | 29.4 | Very low | 29.6 | Very low | 102 Ų | 102 | 118 Ų | 118 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | trans | 75 | 123.9 | 135.1 | 65.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1254 | S | 27.1 | Very low | 29.4 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | 56 | 142.3 | 139 | 52.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1255 | S | 28.5 | Very low | 29.2 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | cis | -169.2 | 162.6 | -1.7 | 39.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1256 | E | 26.9 | Very low | 28.9 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 77% | 0.771 | 72% | 0.716 | S | S | * | * | trans | 53.7 | 123.8 | 146.3 | -73.7 | -178.8 | 135.9 | 0 | 0 | 122.6 | ||||
| 1257 | T | 28.2 | Very low | 28.8 | Very low | 133 Ų | 133 | 119.8 Ų | 119.8 | 82% | 0.816 | 71% | 0.707 | S | S | * | * | trans | 79 | 154.9 | 138.9 | 61.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1258 | A | 29.1 | Very low | 28.9 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 73.1 | 113.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1259 | L | 25.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | -10 | 139.2 | 126.9 | -64.7 | 129.9 | 0 | 0 | 0 | 113.8 | |||||
| 1260 | D | 29.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | cis | -167.9 | 162.1 | 49.2 | -123.5 | -29.8 | 0 | 0 | 0 | 114.7 | ||||
| 1261 | H | 29.1 | Very low | 28.7 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | 61.7 | 147.5 | 147 | -89.3 | -70.1 | 0 | 0 | 0 | 125.3 | ||||
| 1262 | I | 31.4 | Very low | 28.7 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | 80.9 | 90.2 | 147.4 | -66.3 | 158.8 | 0 | 0 | 0 | 119.4 | ||||
| 1263 | N | 27.4 | Very low | 28.8 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | 42 | 116.4 | 115 | -74.1 | -1.5 | 0 | 0 | 0 | 122.1 | |||||
| 1264 | S | 27.2 | Very low | 28.7 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | 88.5 | 132.5 | 113.9 | 75.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1265 | T | 29 | Very low | 28.7 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 58% | 0.583 | 72% | 0.724 | S | S | * | * | trans | 49.8 | 127.1 | 138.1 | 54.3 | 0 | 0 | 0 | 0 | 122.4 | I1267 | T1265-I1267 HydrophobicContact CG2-CD1 4.05Å; T1265-I1267 HydrophobicContact CG2-CG1 4.28Å | ||
| 1266 | F | 30.1 | Very low | 28.7 | Very low | 200 Ų | 200 | 130 Ų | 130 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | -146.2 | 120.9 | 123.9 | -101 | -84.3 | 0 | 0 | 0 | 106.9 | |||||
| 1267 | I | 28.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 54% | 0.538 | 72% | 0.722 | S | S | . | * | cis | 74.4 | 114.2 | 38.7 | -56 | 175 | 0 | 0 | 0 | 113.3 | T1265 | T1265-I1267 HydrophobicContact CG2-CD1 4.05Å; T1265-I1267 HydrophobicContact CG2-CG1 4.28Å | ||
| 1268 | I | 32.4 | Very low | 28.7 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | trans | 174.7 | 138.9 | 150.6 | -93.1 | 148.9 | 0 | 0 | 0 | 107.2 | ||||
| 1269 | H | 31.5 | Very low | 28.8 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | cis | -158.3 | 160.1 | -38.1 | -137.7 | 17.6 | 0 | 0 | 0 | 109.5 | ||||
| 1270 | S | 31.6 | Very low | 29 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | trans | 37.7 | 105 | 158.4 | 59.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1271 | N | 24.9 | Very low | 29.1 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | 48.3 | 142 | 116.4 | -81 | -1.6 | 0 | 0 | 0 | 124.5 | |||||
| 1272 | Q | 27.9 | Very low | 29.4 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | trans | 91.2 | 133.3 | 140.8 | -83.1 | 177.6 | -8.1 | 0 | 0 | 122.3 | ||||
| 1273 | S | 28.4 | Very low | 29.5 | Very low | 98 Ų | 98 | 121 Ų | 121 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | trans | 65.2 | 105.1 | 145.6 | 58.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1274 | S | 28 | Very low | 29.8 | Very low | 106 Ų | 106 | 119.4 Ų | 119.4 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | 75.9 | 140.4 | 122.8 | 62.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 1275 | S | 27.6 | Very low | 30.1 | Very low | 96 Ų | 96 | 120.7 Ų | 120.7 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | trans | 70.6 | 103.6 | 142 | 56.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1276 | S | 27.2 | Very low | 30.4 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | 96.9 | 153.1 | 110.2 | 73.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1277 | S | 28.1 | Very low | 30.6 | Very low | 96 Ų | 96 | 118.8 Ų | 118.8 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | trans | 55.7 | 96.8 | 159 | 57.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1278 | S | 27.8 | Very low | 30.8 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | 91.2 | 175.4 | 95.4 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1279 | T | 30.3 | Very low | 30.9 | Very low | 104 Ų | 104 | 119 Ų | 119 | 64% | 0.638 | 71% | 0.706 | S | S | * | * | cis | -156.1 | 139 | 11.5 | -11.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1280 | T | 30.6 | Very low | 30.9 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | 59.5 | 156.5 | 141.6 | 55.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1281 | T | 33.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | cis | -164.6 | 163.7 | 7.2 | -0.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1282 | T | 34.7 | Very low | 31 | Very low | 109 Ų | 109 | 118.2 Ų | 118.2 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | trans | 63.4 | 142 | 146.4 | 57.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1283 | N | 32.7 | Very low | 31.2 | Very low | 130 Ų | 130 | 115.8 Ų | 115.8 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | cis | -158.2 | 147.3 | -2 | -117 | 0.5 | 0 | 0 | 0 | 114 | ||||
| 1284 | T | 34.1 | Very low | 31.6 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | trans | 18.6 | 129.1 | 138.9 | 64.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1285 | T | 34.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | cis | -163.4 | 164.2 | 40.7 | 49.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1286 | N | 33.5 | Very low | 33.1 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | cis | -165.5 | 172.6 | -9.9 | -104 | 9.4 | 0 | 0 | 0 | 110.6 | ||||
| 1287 | N | 34.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 69% | 0.69 | 70% | 0.701 | S | S | * | * | trans | 7.7 | 139.5 | 149.7 | -48.4 | -3.8 | 0 | 0 | 0 | 119.7 | ||||
| 1288 | H | 34.1 | Very low | 36.3 | Very low | 162 Ų | 162 | 119.2 Ų | 119.2 | 75% | 0.75 | 69% | 0.694 | S | S | * | * | cis | -155 | 168.4 | 12.7 | -133.2 | -42.8 | 0 | 0 | 0 | 112 | ||||
| 1289 | P | 34.1 | Very low | 38 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | -80.3 | 129.1 | -105.9 | 36 | -24.3 | 0 | 0 | 0 | 115.1 | |||||
| 1290 | N | 31.3 | Very low | 39.7 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | trans | -77.8 | 122 | 162 | -72.9 | -15.3 | 0 | 0 | 0 | 109.8 | V1292 | N1290-V1292 VanDerWaalsContact C-N 3.3Å; N1290-V1292 HydrophobicContact CB-CG2 4.32Å; N1290-V1292 PolarHBondContact O-N 2.75Å | ||
| 1291 | S | 27.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 78% | 0.783 | 67% | 0.669 | S | S | * | * | trans | -75.6 | 81.2 | 168.6 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | V1293 | S1291-V1293 PolarHBondContact O-N 3.44Š| ||
| 1292 | V | 30.8 | Very low | 43 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 76% | 0.758 | 66% | 0.662 | S | S | * | * | trans | -68.2 | 100.2 | 175 | -180 | 0 | 0 | 0 | 0 | 108.9 | N1290 S1294 | N1290-V1292 VanDerWaalsContact C-N 3.3Å; N1290-V1292 HydrophobicContact CB-CG2 4.32Å; N1290-V1292 PolarHBondContact O-N 2.75Å; V1292-S1294 PolarHBondContact O-N 2.87Å | ||
| 1293 | V | 31.3 | Very low | 44.4 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -71.2 | 97.7 | 171.3 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | S1291 I1295 | S1291-V1293 PolarHBondContact O-N 3.44Å; V1293-I1295 PolarHBondContact O-N 2.66Å; V1293-I1295 VanDerWaalsContact O-N 3.09Å | ||
| 1294 | S | 38.6 | Very low | 46.5 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | trans | -70.7 | 100.4 | 173 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | V1292 N1296 | V1292-S1294 PolarHBondContact O-N 2.87Å; S1294-N1296 PolarHBondContact O-N 2.87Å | ||
| 1295 | I | 41.5 | Very low | 48.2 | Very low | 133 Ų | 133 | 114.2 Ų | 114.2 | 68% | 0.682 | 63% | 0.626 | S | S | * | * | trans | -55.2 | 111.3 | 175.1 | -56.5 | 174.4 | 0 | 0 | 0 | 108.4 | V1293 D1299 | V1293-I1295 PolarHBondContact O-N 2.66Å; V1293-I1295 VanDerWaalsContact O-N 3.09Å; I1295-D1299 HydrophobicContact CG2-CB 3.95Å | ||
| 1296 | N | 45.6 | Very low | 49.8 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | trans | -79 | 160.4 | -178.4 | -160.4 | -14.2 | 0 | 0 | 0 | 110 | S1294 N1298 D1299 F1300 | S1294-N1296 PolarHBondContact O-N 2.87Å; N1296-N1298 PolarHBondContact O-N 3.26Å; N1296-D1299 VanDerWaalsContact CB-OD2 3.32Å; N1296-D1299 WeakPolarHBondContact CB-OD2 3.21Å; N1296-D1299 PolarHBondContact N-OD2 2.86Å; N1296-D1299 WeakPolarHBondContact O-CB 3.38Å; N1296-D1299 PolarHBondContact O-N 3.28Å; N1296-F1300 PolarHBondContact O-N 2.81Å; N1296-F1300 VanDerWaalsContact O-N 3.08Å | ||
| 1297 | L | 57 | Low | 51.7 | Low | 142 Ų | 142 | 112 Ų | 112 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.2 | -30.3 | 174.6 | -114.5 | 171.2 | 0 | 0 | 0 | 111.7 | F1301 | L1297-F1301 WeakPolarHBondContact O-CB 3.33Å; L1297-F1301 PolarHBondContact O-N 2.96Å |
| 1298 | N | 64.1 | Low | 53.4 | Low | 96 Ų | 96 | 110.2 Ų | 110.2 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.5 | -34.1 | 172.6 | -168.3 | 73.7 | 0 | 0 | 0 | 113 | N1296 F1301 H1302 | N1296-N1298 PolarHBondContact O-N 3.26Å; N1298-F1301 PolarHBondContact O-N 3.13Å; N1298-H1302 PolarHBondContact O-N 3.46Å |
| 1299 | D | 62.8 | Low | 55 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 38% | 0.38 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75.7 | -38 | 179.9 | -50.3 | -25.6 | 0 | 0 | 0 | 110.2 | I1295 N1296 F1301 H1302 A1303 | I1295-D1299 HydrophobicContact CG2-CB 3.95Å; N1296-D1299 VanDerWaalsContact CB-OD2 3.32Å; N1296-D1299 WeakPolarHBondContact CB-OD2 3.21Å; N1296-D1299 PolarHBondContact N-OD2 2.86Å; N1296-D1299 WeakPolarHBondContact O-CB 3.38Å; N1296-D1299 PolarHBondContact O-N 3.28Å; D1299-F1301 VanDerWaalsContact C-N 3.33Å; D1299-H1302 PolarHBondContact O-N 3.41Å; D1299-A1303 WeakPolarHBondContact O-CB 3.32Å; D1299-A1303 PolarHBondContact O-N 3.37Å |
| 1300 | F | 68 | Low | 56.8 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.6 | -39.8 | 169.1 | -169.3 | -87 | 0 | 0 | 0 | 111.5 | N1296 A1303 F1304 | N1296-F1300 PolarHBondContact O-N 2.81Å; N1296-F1300 VanDerWaalsContact O-N 3.08Å; F1300-A1303 PolarHBondContact O-N 2.93Å; F1300-F1304 VanDerWaalsContact O-CB 3.3Å; F1300-F1304 WeakPolarHBondContact O-CB 3.28Å; F1300-F1304 PolarHBondContact O-N 3.46Å |
| 1301 | F | 69.4 | Low | 58.8 | Low | 126 Ų | 126 | 105 Ų | 105 | 55% | 0.553 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.7 | -38.2 | 174 | -168.9 | -108.4 | 0 | 0 | 0 | 112 | L1297 N1298 D1299 F1304 N1305 | L1297-F1301 WeakPolarHBondContact O-CB 3.33Å; L1297-F1301 PolarHBondContact O-N 2.96Å; N1298-F1301 PolarHBondContact O-N 3.13Å; D1299-F1301 VanDerWaalsContact C-N 3.33Å; F1301-F1304 PolarHBondContact O-N 3.31Å; F1301-N1305 VanDerWaalsContact CD1-ND2 3.3Å; F1301-N1305 WeakPolarHBondContact CD1-ND2 2.97Å; F1301-N1305 WeakPolarHBondContact CE1-ND2 3.33Å; F1301-N1305 WeakPolarHBondContact O-CB 3.46Å; F1301-N1305 VanDerWaalsContact O-CG 3.29Å; F1301-N1305 PolarHBondContact O-N 3Å; F1301-N1305 PolarHBondContact O-ND2 2.83Å |
| 1302 | H | 61.8 | Low | 60.8 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 53% | 0.532 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65 | -46.4 | 173.4 | -124.1 | -71.2 | 0 | 0 | 0 | 111.9 | N1298 D1299 F1304 N1305 E1306 | N1298-H1302 PolarHBondContact O-N 3.46Å; D1299-H1302 PolarHBondContact O-N 3.41Å; H1302-F1304 VanDerWaalsContact C-N 3.33Å; H1302-F1304 PolarHBondContact O-N 3.23Å; H1302-N1305 PolarHBondContact O-N 2.8Å; H1302-E1306 WeakPolarHBondContact O-CG 3.11Å; H1302-E1306 PolarHBondContact O-N 3.03Å |
| 1303 | A | 65.7 | Low | 62.5 | Low | 60 Ų | 60 | 105.9 Ų | 105.9 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1299 F1300 L1307 | D1299-A1303 WeakPolarHBondContact O-CB 3.32Å; D1299-A1303 PolarHBondContact O-N 3.37Å; F1300-A1303 PolarHBondContact O-N 2.93Å; A1303-L1307 VanDerWaalsContact O-CB 3.3Å; A1303-L1307 WeakPolarHBondContact O-CB 3.18Å; A1303-L1307 PolarHBondContact O-N 3.23Å |
| 1304 | F | 76.1 | Confident | 64.3 | Low | 106 Ų | 106 | 103.2 Ų | 103.2 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 173.1 | -175.7 | -94.3 | 0 | 0 | 0 | 112 | F1300 F1301 H1302 L1307 L1308 | F1300-F1304 VanDerWaalsContact O-CB 3.3Å; F1300-F1304 WeakPolarHBondContact O-CB 3.28Å; F1300-F1304 PolarHBondContact O-N 3.46Å; F1301-F1304 PolarHBondContact O-N 3.31Å; H1302-F1304 VanDerWaalsContact C-N 3.33Å; H1302-F1304 PolarHBondContact O-N 3.23Å; F1304-L1307 PolarHBondContact O-N 3.11Å; F1304-L1308 HydrophobicContact CE1-CD2 4.44Å; F1304-L1308 VanDerWaalsContact O-CB 3.26Å; F1304-L1308 WeakPolarHBondContact O-CB 3.16Å; F1304-L1308 PolarHBondContact O-N 3.49Å |
| 1305 | N | 69.3 | Low | 65.7 | Low | 55 Ų | 55 | 102.1 Ų | 102.1 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 174.8 | -75.4 | -40 | 0 | 0 | 0 | 112.2 | F1301 H1302 L1308 L1309 | F1301-N1305 VanDerWaalsContact CD1-ND2 3.3Å; F1301-N1305 WeakPolarHBondContact CD1-ND2 2.97Å; F1301-N1305 WeakPolarHBondContact CE1-ND2 3.33Å; F1301-N1305 WeakPolarHBondContact O-CB 3.46Å; F1301-N1305 VanDerWaalsContact O-CG 3.29Å; F1301-N1305 PolarHBondContact O-N 3Å; F1301-N1305 PolarHBondContact O-ND2 2.83Å; H1302-N1305 PolarHBondContact O-N 2.8Å; N1305-L1308 PolarHBondContact O-N 2.66Å; N1305-L1309 WeakPolarHBondContact O-CB 3.23Å; N1305-L1309 PolarHBondContact O-N 2.93Å |
| 1306 | E | 68.1 | Low | 66.9 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 171.6 | -76.4 | -65.6 | 125.4 | 0 | 0 | 111.4 | H1302 L1308 L1309 F1310 | H1302-E1306 WeakPolarHBondContact O-CG 3.11Å; H1302-E1306 PolarHBondContact O-N 3.03Å; E1306-L1308 PolarHBondContact O-N 2.79Å; E1306-L1309 CarbonylContact O-C 3.59Å; E1306-L1309 WeakPolarHBondContact O-CB 3.28Å; E1306-L1309 PolarHBondContact O-N 2.6Å; E1306-F1310 WeakPolarHBondContact O-CB 3.41Å; E1306-F1310 PolarHBondContact O-N 3.12Å |
| 1307 | L | 73.2 | Confident | 68 | Low | 92 Ų | 92 | 100.3 Ų | 100.3 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 174.9 | 179.7 | 63 | 0 | 0 | 0 | 111.8 | A1303 F1304 F1310 I1311 | A1303-L1307 VanDerWaalsContact O-CB 3.3Å; A1303-L1307 WeakPolarHBondContact O-CB 3.18Å; A1303-L1307 PolarHBondContact O-N 3.23Å; F1304-L1307 PolarHBondContact O-N 3.11Å; L1307-F1310 PolarHBondContact O-N 3.39Å; L1307-I1311 HydrophobicContact CD1-CD1 4.15Å; L1307-I1311 HydrophobicContact CD1-CG1 4.39Å; L1307-I1311 HydrophobicContact CG-CD1 3.98Å; L1307-I1311 WeakPolarHBondContact O-CB 3.24Å; L1307-I1311 VanDerWaalsContact O-CG1 3.27Å; L1307-I1311 WeakPolarHBondContact O-CG1 3.46Å; L1307-I1311 PolarHBondContact O-N 2.92Å |
| 1308 | L | 69.9 | Low | 68.6 | Low | 90 Ų | 90 | 101.2 Ų | 101.2 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 176.1 | -173.3 | 64.1 | 0 | 0 | 0 | 111.5 | F1304 N1305 E1306 K1312 | F1304-L1308 HydrophobicContact CE1-CD2 4.44Å; F1304-L1308 VanDerWaalsContact O-CB 3.26Å; F1304-L1308 WeakPolarHBondContact O-CB 3.16Å; F1304-L1308 PolarHBondContact O-N 3.49Å; N1305-L1308 PolarHBondContact O-N 2.66Å; E1306-L1308 PolarHBondContact O-N 2.79Å; L1308-K1312 WeakPolarHBondContact O-CB 3.23Å; L1308-K1312 PolarHBondContact O-N 3.32Å |
| 1309 | L | 69.4 | Low | 68.9 | Low | 106 Ų | 106 | 102.4 Ų | 102.4 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 170.5 | -103.2 | 141 | 0 | 0 | 0 | 111.7 | N1305 E1306 K1312 K1313 | N1305-L1309 WeakPolarHBondContact O-CB 3.23Å; N1305-L1309 PolarHBondContact O-N 2.93Å; E1306-L1309 CarbonylContact O-C 3.59Å; E1306-L1309 WeakPolarHBondContact O-CB 3.28Å; E1306-L1309 PolarHBondContact O-N 2.6Å; L1309-K1312 PolarHBondContact O-N 3.05Å; L1309-K1313 WeakPolarHBondContact O-CB 3.16Å; L1309-K1313 PolarHBondContact O-N 2.96Å |
| 1310 | F | 70.7 | Confident | 69.1 | Low | 121 Ų | 121 | 103.4 Ų | 103.4 | 53% | 0.531 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 176.2 | -178.9 | -95.8 | 0 | 0 | 0 | 111.3 | E1306 L1307 K1312 K1313 Q1314 | E1306-F1310 WeakPolarHBondContact O-CB 3.41Å; E1306-F1310 PolarHBondContact O-N 3.12Å; L1307-F1310 PolarHBondContact O-N 3.39Å; F1310-K1312 VanDerWaalsContact C-N 3.3Å; F1310-K1312 PolarHBondContact O-N 3.46Å; F1310-K1313 PolarHBondContact O-N 2.64Å; F1310-Q1314 HydrophobicContact CD1-CG 4.08Å; F1310-Q1314 HydrophobicContact CE1-CG 3.71Å; F1310-Q1314 HydrophobicContact CE2-CG 4.25Å; F1310-Q1314 HydrophobicContact CZ-CG 3.81Å; F1310-Q1314 WeakPolarHBondContact O-CB 3.33Å; F1310-Q1314 WeakPolarHBondContact O-CG 3.3Å; F1310-Q1314 PolarHBondContact O-N 2.72Å |
| 1311 | I | 73.4 | Confident | 69.1 | Low | 84 Ų | 84 | 102.7 Ų | 102.7 | 43% | 0.431 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 174 | -69.4 | 167.3 | 0 | 0 | 0 | 110 | L1307 K1313 Q1314 C1315 | L1307-I1311 HydrophobicContact CD1-CD1 4.15Å; L1307-I1311 HydrophobicContact CD1-CG1 4.39Å; L1307-I1311 HydrophobicContact CG-CD1 3.98Å; L1307-I1311 WeakPolarHBondContact O-CB 3.24Å; L1307-I1311 VanDerWaalsContact O-CG1 3.27Å; L1307-I1311 WeakPolarHBondContact O-CG1 3.46Å; L1307-I1311 PolarHBondContact O-N 2.92Å; I1311-K1313 PolarHBondContact O-N 3.01Å; I1311-Q1314 PolarHBondContact O-N 2.91Å; I1311-C1315 WeakPolarHBondContact O-CB 3.48Å; I1311-C1315 PolarHBondContact O-N 3.13Å; I1311-C1315 PolarHBondContact O-SG 2.88Å |
| 1312 | K | 70.7 | Confident | 69.1 | Low | 157 Ų | 157 | 102.8 Ų | 102.8 | 68% | 0.683 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 176.6 | -171.6 | 175.9 | -178.5 | -178.8 | 0 | 112.4 | L1308 L1309 F1310 K1316 | L1308-K1312 WeakPolarHBondContact O-CB 3.23Å; L1308-K1312 PolarHBondContact O-N 3.32Å; L1309-K1312 PolarHBondContact O-N 3.05Å; F1310-K1312 VanDerWaalsContact C-N 3.3Å; F1310-K1312 PolarHBondContact O-N 3.46Å; K1312-K1316 WeakPolarHBondContact O-CB 3.29Å; K1312-K1316 PolarHBondContact O-N 2.88Å |
| 1313 | K | 65.9 | Low | 69.3 | Low | 98 Ų | 98 | 99.4 Ų | 99.4 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 176.7 | -167.4 | 165.1 | -178 | 168 | 0 | 111 | E1129 L1309 F1310 I1311 K1316 I1317 | E1129-K1313 IonicContact OE1-NZ 2.64Å; E1129-K1313 IonicContact OE2-NZ 2.77Å; E1129-K1313 PolarHBondContact OE2-NZ 3.02Å; L1309-K1313 WeakPolarHBondContact O-CB 3.16Å; L1309-K1313 PolarHBondContact O-N 2.96Å; F1310-K1313 PolarHBondContact O-N 2.64Å; I1311-K1313 PolarHBondContact O-N 3.01Å; K1313-K1316 WeakPolarHBondContact O-CB 3.31Å; K1313-K1316 PolarHBondContact O-N 3.06Å; K1313-I1317 WeakPolarHBondContact O-CG1 3.47Å; K1313-I1317 PolarHBondContact O-N 3.48Å |
| 1314 | Q | 69.6 | Low | 69.4 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 174.5 | -68.7 | -65.4 | -5 | 0 | 0 | 112.2 | F1310 I1311 K1316 I1317 Y1318 | F1310-Q1314 HydrophobicContact CD1-CG 4.08Å; F1310-Q1314 HydrophobicContact CE1-CG 3.71Å; F1310-Q1314 HydrophobicContact CE2-CG 4.25Å; F1310-Q1314 HydrophobicContact CZ-CG 3.81Å; F1310-Q1314 WeakPolarHBondContact O-CB 3.33Å; F1310-Q1314 WeakPolarHBondContact O-CG 3.3Å; F1310-Q1314 PolarHBondContact O-N 2.72Å; I1311-Q1314 PolarHBondContact O-N 2.91Å; Q1314-K1316 VanDerWaalsContact C-N 3.28Å; Q1314-K1316 PolarHBondContact O-N 3.14Å; Q1314-I1317 PolarHBondContact O-N 3.13Å; Q1314-I1317 VanDerWaalsContact O-N 3.11Å; Q1314-Y1318 VanDerWaalsContact O-CD2 3.3Å; Q1314-Y1318 WeakPolarHBondContact O-CD2 3.49Å; Q1314-Y1318 PolarHBondContact O-N 3.21Å |
| 1315 | C | 68.2 | Low | 69 | Low | 76 Ų | 76 | 97 Ų | 97 | 51% | 0.514 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 173.4 | -74.4 | 0 | 0 | 0 | 0 | 111.8 | I1311 F1319 | I1311-C1315 WeakPolarHBondContact O-CB 3.48Å; I1311-C1315 PolarHBondContact O-N 3.13Å; I1311-C1315 PolarHBondContact O-SG 2.88Å; C1315-F1319 WeakPolarHBondContact O-CB 3.48Å; C1315-F1319 PolarHBondContact O-N 3.13Å |
| 1316 | K | 66.8 | Low | 69.1 | Low | 107 Ų | 107 | 98 Ų | 98 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 172.3 | -149.5 | -161.5 | -175.4 | -149.8 | 0 | 110.8 | K1312 K1313 Q1314 F1319 Y1320 | K1312-K1316 WeakPolarHBondContact O-CB 3.29Å; K1312-K1316 PolarHBondContact O-N 2.88Å; K1313-K1316 WeakPolarHBondContact O-CB 3.31Å; K1313-K1316 PolarHBondContact O-N 3.06Å; Q1314-K1316 VanDerWaalsContact C-N 3.28Å; Q1314-K1316 PolarHBondContact O-N 3.14Å; K1316-F1319 PolarHBondContact O-N 3.43Å; K1316-Y1320 HydrophobicContact CD-CD2 4.44Å; K1316-Y1320 HydrophobicContact CD-CE2 3.63Å; K1316-Y1320 VanDerWaalsContact CE-CE2 3.43Å; K1316-Y1320 WeakPolarHBondContact CE-OH 3.47Å; K1316-Y1320 HydrophobicContact CG-CD2 4.05Å; K1316-Y1320 HydrophobicContact CG-CE2 3.57Å; K1316-Y1320 PolarHBondContact NZ-OH 3.32Å; K1316-Y1320 WeakPolarHBondContact O-CD2 3.21Å; K1316-Y1320 PolarHBondContact O-N 3.29Å |
| 1317 | I | 68.4 | Low | 69.1 | Low | 90 Ų | 90 | 94.7 Ų | 94.7 | 46% | 0.462 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -52.1 | 179.1 | -66.4 | 161.9 | 0 | 0 | 0 | 111.4 | K1313 Q1314 F1319 Y1320 Y1321 | K1313-I1317 WeakPolarHBondContact O-CG1 3.47Å; K1313-I1317 PolarHBondContact O-N 3.48Å; Q1314-I1317 PolarHBondContact O-N 3.13Å; Q1314-I1317 VanDerWaalsContact O-N 3.11Å; I1317-F1319 VanDerWaalsContact C-N 3.32Å; I1317-F1319 PolarHBondContact O-N 2.92Å; I1317-Y1320 PolarHBondContact O-N 3.5Å; I1317-Y1321 WeakPolarHBondContact O-CB 3.32Å; I1317-Y1321 PolarHBondContact O-N 3.31Å |
| 1318 | Y | 69.3 | Low | 68.7 | Low | 161 Ų | 161 | 92.1 Ų | 92.1 | 63% | 0.631 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.1 | -35.6 | 178.4 | -78.2 | -69 | 0 | 0 | 0 | 112.7 | Q1314 Y1321 F1322 | Q1314-Y1318 VanDerWaalsContact O-CD2 3.3Å; Q1314-Y1318 WeakPolarHBondContact O-CD2 3.49Å; Q1314-Y1318 PolarHBondContact O-N 3.21Å; Y1318-Y1321 PolarHBondContact O-N 2.88Å; Y1318-F1322 VanDerWaalsContact O-CB 3.3Å; Y1318-F1322 WeakPolarHBondContact O-CB 3.44Å; Y1318-F1322 PolarHBondContact O-N 2.82Å |
| 1319 | F | 70.7 | Confident | 68.8 | Low | 120 Ų | 120 | 95.2 Ų | 95.2 | 53% | 0.526 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 175.1 | -178.6 | -108.5 | 0 | 0 | 0 | 112 | C1315 K1316 I1317 F1322 L1323 | C1315-F1319 WeakPolarHBondContact O-CB 3.48Å; C1315-F1319 PolarHBondContact O-N 3.13Å; K1316-F1319 PolarHBondContact O-N 3.43Å; I1317-F1319 VanDerWaalsContact C-N 3.32Å; I1317-F1319 PolarHBondContact O-N 2.92Å; F1319-F1322 PolarHBondContact O-N 3.04Å; F1319-L1323 HydrophobicContact CD1-CD1 3.9Å; F1319-L1323 HydrophobicContact CD1-CG 4.47Å; F1319-L1323 HydrophobicContact CE1-CD1 3.42Å; F1319-L1323 VanDerWaalsContact CE1-CD1 3.42Å; F1319-L1323 HydrophobicContact CE1-CG 4.16Å; F1319-L1323 HydrophobicContact CE2-CD1 4.48Å; F1319-L1323 HydrophobicContact CE2-CG 4.4Å; F1319-L1323 HydrophobicContact CZ-CD1 3.76Å; F1319-L1323 HydrophobicContact CZ-CD2 4.39Å; F1319-L1323 HydrophobicContact CZ-CG 4.12Å; F1319-L1323 WeakPolarHBondContact O-CB 3.5Å; F1319-L1323 WeakPolarHBondContact O-CG 3.38Å; F1319-L1323 PolarHBondContact O-N 3Å |
| 1320 | Y | 66.4 | Low | 68.7 | Low | 92 Ų | 92 | 95 Ų | 95 | 36% | 0.361 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 172.3 | -75 | -52.5 | 0 | 0 | 0 | 112.3 | K1316 I1317 F1322 L1323 Y1324 | K1316-Y1320 HydrophobicContact CD-CD2 4.44Å; K1316-Y1320 HydrophobicContact CD-CE2 3.63Å; K1316-Y1320 VanDerWaalsContact CE-CE2 3.43Å; K1316-Y1320 WeakPolarHBondContact CE-OH 3.47Å; K1316-Y1320 HydrophobicContact CG-CD2 4.05Å; K1316-Y1320 HydrophobicContact CG-CE2 3.57Å; K1316-Y1320 PolarHBondContact NZ-OH 3.32Å; K1316-Y1320 WeakPolarHBondContact O-CD2 3.21Å; K1316-Y1320 PolarHBondContact O-N 3.29Å; I1317-Y1320 PolarHBondContact O-N 3.5Å; Y1320-F1322 VanDerWaalsContact C-N 3.33Å; Y1320-F1322 PolarHBondContact O-N 3.41Å; Y1320-L1323 PolarHBondContact O-N 3.21Å; Y1320-Y1324 WeakPolarHBondContact O-CB 3.28Å; Y1320-Y1324 PolarHBondContact O-N 3.14Å |
| 1321 | Y | 67.3 | Low | 68.4 | Low | 124 Ų | 124 | 90.5 Ų | 90.5 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 175.9 | -175.9 | -97.3 | 0 | 0 | 0 | 112.5 | I1317 Y1318 K1325 | I1317-Y1321 WeakPolarHBondContact O-CB 3.32Å; I1317-Y1321 PolarHBondContact O-N 3.31Å; Y1318-Y1321 PolarHBondContact O-N 2.88Å; Y1321-K1325 HydrophobicContact CE1-CD 3.97Å; Y1321-K1325 PolarHBondContact O-N 3.25Å; Y1321-K1325 WeakPolarHBondContact OH-CE 3.39Å; Y1321-K1325 PolarHBondContact OH-NZ 3.08Å; Y1321-K1325 VanDerWaalsContact OH-NZ 3.15Å |
| 1322 | F | 69.2 | Low | 68.1 | Low | 128 Ų | 128 | 90.9 Ų | 90.9 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68 | -47.3 | 174.2 | 179.3 | -107.4 | 0 | 0 | 0 | 112.1 | Y1318 F1319 Y1320 Y1324 K1325 I1326 | Y1318-F1322 VanDerWaalsContact O-CB 3.3Å; Y1318-F1322 WeakPolarHBondContact O-CB 3.44Å; Y1318-F1322 PolarHBondContact O-N 2.82Å; F1319-F1322 PolarHBondContact O-N 3.04Å; Y1320-F1322 VanDerWaalsContact C-N 3.33Å; Y1320-F1322 PolarHBondContact O-N 3.41Å; F1322-Y1324 VanDerWaalsContact C-N 3.34Å; F1322-Y1324 PolarHBondContact O-N 2.72Å; F1322-K1325 PolarHBondContact O-N 2.91Å; F1322-I1326 HydrophobicContact CD1-CD1 3.91Å; F1322-I1326 HydrophobicContact CE1-CD1 3.46Å; F1322-I1326 VanDerWaalsContact CE1-CD1 3.46Å; F1322-I1326 HydrophobicContact CE2-CD1 4.34Å; F1322-I1326 HydrophobicContact CZ-CD1 3.71Å; F1322-I1326 WeakPolarHBondContact O-CG1 3.44Å; F1322-I1326 PolarHBondContact O-N 2.9Å |
| 1323 | L | 67.6 | Low | 68 | Low | 44 Ų | 44 | 89.4 Ų | 89.4 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 172.4 | -76 | 179.1 | 0 | 0 | 0 | 111.6 | F1319 Y1320 K1325 I1326 I1327 L1406 | F1319-L1323 HydrophobicContact CD1-CD1 3.9Å; F1319-L1323 HydrophobicContact CD1-CG 4.47Å; F1319-L1323 HydrophobicContact CE1-CD1 3.42Å; F1319-L1323 VanDerWaalsContact CE1-CD1 3.42Å; F1319-L1323 HydrophobicContact CE1-CG 4.16Å; F1319-L1323 HydrophobicContact CE2-CD1 4.48Å; F1319-L1323 HydrophobicContact CE2-CG 4.4Å; F1319-L1323 HydrophobicContact CZ-CD1 3.76Å; F1319-L1323 HydrophobicContact CZ-CD2 4.39Å; F1319-L1323 HydrophobicContact CZ-CG 4.12Å; F1319-L1323 WeakPolarHBondContact O-CB 3.5Å; F1319-L1323 WeakPolarHBondContact O-CG 3.38Å; F1319-L1323 PolarHBondContact O-N 3Å; Y1320-L1323 PolarHBondContact O-N 3.21Å; L1323-K1325 PolarHBondContact O-N 3.17Å; L1323-I1326 CarbonylContact O-C 3.47Å; L1323-I1326 WeakPolarHBondContact O-CB 3.29Å; L1323-I1326 PolarHBondContact O-N 2.85Å; L1323-I1326 VanDerWaalsContact O-N 3.12Å; L1323-I1327 WeakPolarHBondContact O-CD1 3.29Å; L1323-I1327 VanDerWaalsContact O-CG1 3.24Å; L1323-I1327 WeakPolarHBondContact O-CG1 3.11Å; L1323-I1327 PolarHBondContact O-N 3.07Å; L1323-L1406 HydrophobicContact CD1-CD2 4.23Å |
| 1324 | Y | 66.7 | Low | 68 | Low | 33 Ų | 33 | 86.9 Ų | 86.9 | 13% | 0.129 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 177 | 172.4 | -121 | 0 | 0 | 0 | 111.7 | E1115 I1118 Y1320 F1322 I1326 I1327 I1328 | E1115-Y1324 VanDerWaalsContact CA-OH 3.25Å; E1115-Y1324 WeakPolarHBondContact CA-OH 3.33Å; E1115-Y1324 WeakPolarHBondContact CB-OH 3.3Å; I1118-Y1324 HydrophobicContact CB-CE2 4.49Å; I1118-Y1324 HydrophobicContact CD1-CD2 3.47Å; I1118-Y1324 VanDerWaalsContact CD1-CD2 3.47Å; I1118-Y1324 HydrophobicContact CD1-CE2 3.66Å; I1118-Y1324 HydrophobicContact CD1-CG 4.21Å; I1118-Y1324 HydrophobicContact CG2-CD1 4.32Å; I1118-Y1324 HydrophobicContact CG2-CE1 4.34Å; I1118-Y1324 HydrophobicContact CG2-CG 4.42Å; Y1320-Y1324 WeakPolarHBondContact O-CB 3.28Å; Y1320-Y1324 PolarHBondContact O-N 3.14Å; F1322-Y1324 VanDerWaalsContact C-N 3.34Å; F1322-Y1324 PolarHBondContact O-N 2.72Å; Y1324-I1326 PolarHBondContact O-N 2.96Å; Y1324-I1327 PolarHBondContact O-N 3.09Å; Y1324-I1328 HydrophobicContact CD1-CD1 4.13Å; Y1324-I1328 HydrophobicContact CD2-CD1 4.3Å; Y1324-I1328 HydrophobicContact CD2-CG1 4.34Å; Y1324-I1328 HydrophobicContact CE1-CD1 3.71Å; Y1324-I1328 HydrophobicContact CE2-CD1 3.88Å; Y1324-I1328 HydrophobicContact CE2-CG1 4Å; Y1324-I1328 HydrophobicContact CG-CD1 4.4Å; Y1324-I1328 WeakPolarHBondContact O-CG1 3.37Å; Y1324-I1328 PolarHBondContact O-N 2.75Å |
| 1325 | K | 67.6 | Low | 67.9 | Low | 83 Ų | 83 | 85.8 Ų | 85.8 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 171.9 | -83.8 | -170.3 | 171.4 | 176.9 | 0 | 112.9 | Y1321 F1322 L1323 I1327 I1328 Y1329 | Y1321-K1325 HydrophobicContact CE1-CD 3.97Å; Y1321-K1325 PolarHBondContact O-N 3.25Å; Y1321-K1325 WeakPolarHBondContact OH-CE 3.39Å; Y1321-K1325 PolarHBondContact OH-NZ 3.08Å; Y1321-K1325 VanDerWaalsContact OH-NZ 3.15Å; F1322-K1325 PolarHBondContact O-N 2.91Å; L1323-K1325 PolarHBondContact O-N 3.17Å; K1325-I1327 VanDerWaalsContact C-N 3.33Å; K1325-I1327 PolarHBondContact O-N 3.29Å; K1325-I1328 PolarHBondContact O-N 3.39Å; K1325-Y1329 HydrophobicContact CB-CD2 4.47Å; K1325-Y1329 HydrophobicContact CB-CE2 4.23Å; K1325-Y1329 WeakPolarHBondContact O-CD2 3.41Å; K1325-Y1329 PolarHBondContact O-N 3.04Å |
| 1326 | I | 72.3 | Confident | 67.8 | Low | 75 Ų | 75 | 89.4 Ų | 89.4 | 39% | 0.385 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 174.5 | -71.1 | 171 | 0 | 0 | 0 | 110.6 | F1322 L1323 Y1324 Y1329 L1330 | F1322-I1326 HydrophobicContact CD1-CD1 3.91Å; F1322-I1326 HydrophobicContact CE1-CD1 3.46Å; F1322-I1326 VanDerWaalsContact CE1-CD1 3.46Å; F1322-I1326 HydrophobicContact CE2-CD1 4.34Å; F1322-I1326 HydrophobicContact CZ-CD1 3.71Å; F1322-I1326 WeakPolarHBondContact O-CG1 3.44Å; F1322-I1326 PolarHBondContact O-N 2.9Å; L1323-I1326 CarbonylContact O-C 3.47Å; L1323-I1326 WeakPolarHBondContact O-CB 3.29Å; L1323-I1326 PolarHBondContact O-N 2.85Å; L1323-I1326 VanDerWaalsContact O-N 3.12Å; Y1324-I1326 PolarHBondContact O-N 2.96Å; I1326-Y1329 PolarHBondContact O-N 2.92Å; I1326-L1330 VanDerWaalsContact O-CB 3.26Å; I1326-L1330 WeakPolarHBondContact O-CB 3.14Å; I1326-L1330 PolarHBondContact O-N 3.27Å |
| 1327 | I | 68 | Low | 68 | Low | 42 Ų | 42 | 87.1 Ų | 87.1 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 178.3 | -67 | 158.8 | 0 | 0 | 0 | 110.4 | L1323 Y1324 K1325 Y1329 L1330 F1331 L1406 | L1323-I1327 WeakPolarHBondContact O-CD1 3.29Å; L1323-I1327 VanDerWaalsContact O-CG1 3.24Å; L1323-I1327 WeakPolarHBondContact O-CG1 3.11Å; L1323-I1327 PolarHBondContact O-N 3.07Å; Y1324-I1327 PolarHBondContact O-N 3.09Å; K1325-I1327 VanDerWaalsContact C-N 3.33Å; K1325-I1327 PolarHBondContact O-N 3.29Å; I1327-Y1329 PolarHBondContact O-N 3.43Å; I1327-L1330 PolarHBondContact O-N 3.16Å; I1327-F1331 WeakPolarHBondContact O-CB 3.12Å; I1327-F1331 PolarHBondContact O-N 3.25Å; I1327-L1406 HydrophobicContact CD1-CD1 3.9Å; I1327-L1406 HydrophobicContact CD1-CD2 4.24Å; I1327-L1406 HydrophobicContact CD1-CG 4.47Å; I1327-L1406 HydrophobicContact CG1-CD1 4.42Å |
| 1328 | I | 65.4 | Low | 67.7 | Low | 39 Ų | 39 | 84.5 Ų | 84.5 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.6 | -52.8 | 174.5 | -65.1 | 164 | 0 | 0 | 0 | 110.6 | L1111 Y1324 K1325 L1330 F1331 I1332 | L1111-I1328 HydrophobicContact CD2-CG1 4.38Å; L1111-I1328 HydrophobicContact CD2-CG2 4.46Å; Y1324-I1328 HydrophobicContact CD1-CD1 4.13Å; Y1324-I1328 HydrophobicContact CD2-CD1 4.3Å; Y1324-I1328 HydrophobicContact CD2-CG1 4.34Å; Y1324-I1328 HydrophobicContact CE1-CD1 3.71Å; Y1324-I1328 HydrophobicContact CE2-CD1 3.88Å; Y1324-I1328 HydrophobicContact CE2-CG1 4Å; Y1324-I1328 HydrophobicContact CG-CD1 4.4Å; Y1324-I1328 WeakPolarHBondContact O-CG1 3.37Å; Y1324-I1328 PolarHBondContact O-N 2.75Å; K1325-I1328 PolarHBondContact O-N 3.39Å; I1328-L1330 VanDerWaalsContact C-N 3.33Å; I1328-L1330 PolarHBondContact O-N 3.45Å; I1328-F1331 PolarHBondContact O-N 3.31Å; I1328-I1332 HydrophobicContact CG2-CD1 3.54Å; I1328-I1332 HydrophobicContact CG2-CG1 4.15Å; I1328-I1332 WeakPolarHBondContact O-CB 3.43Å; I1328-I1332 VanDerWaalsContact O-CG1 3.31Å; I1328-I1332 WeakPolarHBondContact O-CG1 3.2Å; I1328-I1332 PolarHBondContact O-N 2.98Å |
| 1329 | Y | 70.5 | Confident | 67.5 | Low | 155 Ų | 155 | 78 Ų | 78 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | -177.4 | -70.1 | -55.2 | 0 | 0 | 0 | 112.2 | K1325 I1326 I1327 Y1333 | K1325-Y1329 HydrophobicContact CB-CD2 4.47Å; K1325-Y1329 HydrophobicContact CB-CE2 4.23Å; K1325-Y1329 WeakPolarHBondContact O-CD2 3.41Å; K1325-Y1329 PolarHBondContact O-N 3.04Å; I1326-Y1329 PolarHBondContact O-N 2.92Å; I1327-Y1329 PolarHBondContact O-N 3.43Å; Y1329-Y1333 VanDerWaalsContact O-CB 3.26Å; Y1329-Y1333 WeakPolarHBondContact O-CB 3.47Å; Y1329-Y1333 PolarHBondContact O-N 2.89Å |
| 1330 | L | 67.5 | Low | 67.3 | Low | 100 Ų | 100 | 78.6 Ų | 78.6 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.6 | -159.7 | 100.1 | 0 | 0 | 0 | 111.4 | I1326 I1327 I1328 Y1333 F1334 | I1326-L1330 VanDerWaalsContact O-CB 3.26Å; I1326-L1330 WeakPolarHBondContact O-CB 3.14Å; I1326-L1330 PolarHBondContact O-N 3.27Å; I1327-L1330 PolarHBondContact O-N 3.16Å; I1328-L1330 VanDerWaalsContact C-N 3.33Å; I1328-L1330 PolarHBondContact O-N 3.45Å; L1330-Y1333 PolarHBondContact O-N 3.39Å; L1330-F1334 HydrophobicContact CD1-CE2 4.19Å; L1330-F1334 HydrophobicContact CD2-CD2 4.09Å; L1330-F1334 HydrophobicContact CD2-CE2 4.11Å; L1330-F1334 HydrophobicContact CG-CD2 3.82Å; L1330-F1334 HydrophobicContact CG-CE2 3.85Å; L1330-F1334 WeakPolarHBondContact O-CB 3.2Å; L1330-F1334 VanDerWaalsContact O-CD2 3.28Å; L1330-F1334 WeakPolarHBondContact O-CD2 3.48Å; L1330-F1334 PolarHBondContact O-N 3.44Å |
| 1331 | F | 65 | Low | 67.3 | Low | 28 Ų | 28 | 80.4 Ų | 80.4 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -75.8 | -34.5 | -177.6 | -165.6 | -74.8 | 0 | 0 | 0 | 112.3 | S1107 I1110 L1111 I1327 I1328 N1335 I1338 | S1107-F1331 VanDerWaalsContact O-CE1 3.25Å; S1107-F1331 WeakPolarHBondContact O-CE1 3.19Å; I1110-F1331 HydrophobicContact CB-CZ 3.81Å; I1110-F1331 HydrophobicContact CD1-CZ 4.45Å; I1110-F1331 HydrophobicContact CG2-CE2 3.84Å; I1110-F1331 HydrophobicContact CG2-CZ 3.62Å; L1111-F1331 HydrophobicContact CD1-CD1 3.76Å; L1111-F1331 HydrophobicContact CD1-CE1 4.11Å; L1111-F1331 HydrophobicContact CD2-CB 4.29Å; L1111-F1331 HydrophobicContact CD2-CD1 3.77Å; L1111-F1331 HydrophobicContact CD2-CE1 4.33Å; L1111-F1331 HydrophobicContact CD2-CG 4.15Å; L1111-F1331 HydrophobicContact CG-CD1 3.52Å; L1111-F1331 HydrophobicContact CG-CE1 3.69Å; L1111-F1331 HydrophobicContact CG-CG 4.36Å; I1327-F1331 WeakPolarHBondContact O-CB 3.12Å; I1327-F1331 PolarHBondContact O-N 3.25Å; I1328-F1331 PolarHBondContact O-N 3.31Å; F1331-N1335 WeakPolarHBondContact O-CA 3.5Å; F1331-N1335 PolarHBondContact O-N 3.24Å; F1331-I1338 HydrophobicContact CB-CD1 4.45Å; F1331-I1338 HydrophobicContact CD1-CD1 4.15Å; F1331-I1338 HydrophobicContact CD2-CD1 3.58Å; F1331-I1338 HydrophobicContact CE1-CD1 4.31Å; F1331-I1338 HydrophobicContact CE2-CD1 3.75Å; F1331-I1338 HydrophobicContact CE2-CG2 4.24Å; F1331-I1338 HydrophobicContact CG-CD1 3.79Å; F1331-I1338 HydrophobicContact CZ-CD1 4.11Å; F1331-I1338 HydrophobicContact CZ-CG2 3.95Å |
| 1332 | I | 67.2 | Low | 67.1 | Low | 91 Ų | 91 | 75 Ų | 75 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 167 | -70.7 | 173.5 | 0 | 0 | 0 | 110.2 | L1111 I1328 N1335 | L1111-I1332 HydrophobicContact CD1-CG1 4.17Å; I1328-I1332 HydrophobicContact CG2-CD1 3.54Å; I1328-I1332 HydrophobicContact CG2-CG1 4.15Å; I1328-I1332 WeakPolarHBondContact O-CB 3.43Å; I1328-I1332 VanDerWaalsContact O-CG1 3.31Å; I1328-I1332 WeakPolarHBondContact O-CG1 3.2Å; I1328-I1332 PolarHBondContact O-N 2.98Å; I1332-N1335 WeakPolarHBondContact O-CB 3.39Å; I1332-N1335 PolarHBondContact O-N 2.88Å |
| 1333 | Y | 68.7 | Low | 66.8 | Low | 126 Ų | 126 | 70.6 Ų | 70.6 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 179.1 | -173.2 | -82.2 | 0 | 0 | 0 | 112.4 | Y16 C19 Y1329 L1330 N1335 | Y16-Y1333 HydrophobicContact CD2-CE2 4.46Å; Y16-Y1333 VanDerWaalsContact CD2-OH 3.28Å; Y16-Y1333 WeakPolarHBondContact CD2-OH 3.41Å; Y16-Y1333 WeakPolarHBondContact CE2-OH 3.34Å; C19-Y1333 HydrophobicContact CB-CE1 3.6Å; C19-Y1333 VanDerWaalsContact SG-CE1 3.51Å; Y1329-Y1333 VanDerWaalsContact O-CB 3.26Å; Y1329-Y1333 WeakPolarHBondContact O-CB 3.47Å; Y1329-Y1333 PolarHBondContact O-N 2.89Å; L1330-Y1333 PolarHBondContact O-N 3.39Å; Y1333-N1335 VanDerWaalsContact C-N 3.31Å; Y1333-N1335 PolarHBondContact O-N 3.36Å |
| 1334 | F | 65.7 | Low | 66.7 | Low | 46 Ų | 46 | 71.6 Ų | 71.6 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 5.9 | 176.4 | -73.7 | -62.5 | 0 | 0 | 0 | 114.5 | C19 L1330 Q1336 S1337 I1338 | C19-F1334 HydrophobicContact CB-CE1 4.42Å; C19-F1334 HydrophobicContact CB-CZ 4.46Å; C19-F1334 WeakPolarHBondContact SG-CZ 3.27Å; L1330-F1334 HydrophobicContact CD1-CE2 4.19Å; L1330-F1334 HydrophobicContact CD2-CD2 4.09Å; L1330-F1334 HydrophobicContact CD2-CE2 4.11Å; L1330-F1334 HydrophobicContact CG-CD2 3.82Å; L1330-F1334 HydrophobicContact CG-CE2 3.85Å; L1330-F1334 WeakPolarHBondContact O-CB 3.2Å; L1330-F1334 VanDerWaalsContact O-CD2 3.28Å; L1330-F1334 WeakPolarHBondContact O-CD2 3.48Å; L1330-F1334 PolarHBondContact O-N 3.44Å; F1334-Q1336 VanDerWaalsContact C-N 3.28Å; F1334-Q1336 PolarHBondContact O-N 2.78Å; F1334-Q1336 VanDerWaalsContact O-N 3.1Å; F1334-S1337 WeakPolarHBondContact O-CA 3.17Å; F1334-S1337 PolarHBondContact O-N 2.67Å; F1334-I1338 HydrophobicContact CB-CD1 3.83Å; F1334-I1338 HydrophobicContact CB-CG1 4.05Å; F1334-I1338 WeakPolarHBondContact O-CG1 3.38Å; F1334-I1338 PolarHBondContact O-N 3.02Å |
| 1335 | N | 68 | Low | 66.5 | Low | 41 Ų | 41 | 73.3 Ų | 73.3 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -44.6 | -49.6 | -173.3 | -179.1 | -11 | 0 | 0 | 0 | 112.8 | S1107 F1331 I1332 Y1333 S1337 I1338 N1339 | S1107-N1335 WeakPolarHBondContact CB-OD1 3.31Å; S1107-N1335 PolarHBondContact OG-OD1 3.34Å; F1331-N1335 WeakPolarHBondContact O-CA 3.5Å; F1331-N1335 PolarHBondContact O-N 3.24Å; I1332-N1335 WeakPolarHBondContact O-CB 3.39Å; I1332-N1335 PolarHBondContact O-N 2.88Å; Y1333-N1335 VanDerWaalsContact C-N 3.31Å; Y1333-N1335 PolarHBondContact O-N 3.36Å; N1335-S1337 PolarHBondContact O-N 3.45Å; N1335-I1338 PolarHBondContact O-N 3.27Å; N1335-N1339 WeakPolarHBondContact O-CB 3.49Å; N1335-N1339 PolarHBondContact O-N 2.85Å; N1335-N1339 PolarHBondContact O-ND2 2.95Å; N1335-N1339 PolarHBondContact OD1-ND2 3.13Å |
| 1336 | Q | 66.1 | Low | 66.3 | Low | 153 Ų | 153 | 71.2 Ų | 71.2 | 72% | 0.715 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 178.8 | -168.4 | 65 | 12.4 | 0 | 0 | 113.7 | F1334 Y1340 | F1334-Q1336 VanDerWaalsContact C-N 3.28Å; F1334-Q1336 PolarHBondContact O-N 2.78Å; F1334-Q1336 VanDerWaalsContact O-N 3.1Å; Q1336-Y1340 WeakPolarHBondContact O-CB 3.25Å; Q1336-Y1340 PolarHBondContact O-N 2.84Å |
| 1337 | S | 69.7 | Low | 65.9 | Low | 59 Ų | 59 | 69 Ų | 69 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.9 | -38.4 | 177.5 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | F1334 N1335 Y1340 W1341 | F1334-S1337 WeakPolarHBondContact O-CA 3.17Å; F1334-S1337 PolarHBondContact O-N 2.67Å; N1335-S1337 PolarHBondContact O-N 3.45Å; S1337-Y1340 PolarHBondContact O-N 2.93Å; S1337-W1341 WeakPolarHBondContact O-CB 3.32Å; S1337-W1341 PolarHBondContact O-N 2.81Å |
| 1338 | I | 62.9 | Low | 65.8 | Low | 34 Ų | 34 | 72.9 Ų | 72.9 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 176.1 | -65.2 | 169.2 | 0 | 0 | 0 | 109.6 | F1331 F1334 N1335 Y1340 W1341 L1342 | F1331-I1338 HydrophobicContact CB-CD1 4.45Å; F1331-I1338 HydrophobicContact CD1-CD1 4.15Å; F1331-I1338 HydrophobicContact CD2-CD1 3.58Å; F1331-I1338 HydrophobicContact CE1-CD1 4.31Å; F1331-I1338 HydrophobicContact CE2-CD1 3.75Å; F1331-I1338 HydrophobicContact CE2-CG2 4.24Å; F1331-I1338 HydrophobicContact CG-CD1 3.79Å; F1331-I1338 HydrophobicContact CZ-CD1 4.11Å; F1331-I1338 HydrophobicContact CZ-CG2 3.95Å; F1334-I1338 HydrophobicContact CB-CD1 3.83Å; F1334-I1338 HydrophobicContact CB-CG1 4.05Å; F1334-I1338 WeakPolarHBondContact O-CG1 3.38Å; F1334-I1338 PolarHBondContact O-N 3.02Å; N1335-I1338 PolarHBondContact O-N 3.27Å; I1338-Y1340 VanDerWaalsContact C-N 3.32Å; I1338-Y1340 PolarHBondContact O-N 2.91Å; I1338-W1341 PolarHBondContact O-N 3.26Å; I1338-L1342 VanDerWaalsContact O-CB 3.3Å; I1338-L1342 WeakPolarHBondContact O-CB 3.44Å; I1338-L1342 PolarHBondContact O-N 3.42Å |
| 1339 | N | 64.5 | Low | 65.6 | Low | 25 Ų | 25 | 72.4 Ų | 72.4 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 174 | -80.2 | -28.8 | 0 | 0 | 0 | 112.1 | S1105 L1106 S1107 N1335 T1343 | S1105-N1339 WeakPolarHBondContact CB-ND2 3.36Å; L1106-N1339 PolarHBondContact N-OD1 3.47Å; S1107-N1339 WeakPolarHBondContact CB-OD1 3.42Å; S1107-N1339 PolarHBondContact N-OD1 3.3Å; S1107-N1339 PolarHBondContact OG-ND2 3.43Å; S1107-N1339 VanDerWaalsContact OG-ND2 3.13Å; S1107-N1339 PolarHBondContact OG-OD1 3.1Å; S1107-N1339 VanDerWaalsContact OG-OD1 3.13Å; N1335-N1339 WeakPolarHBondContact O-CB 3.49Å; N1335-N1339 PolarHBondContact O-N 2.85Å; N1335-N1339 PolarHBondContact O-ND2 2.95Å; N1335-N1339 PolarHBondContact OD1-ND2 3.13Å; N1339-T1343 WeakPolarHBondContact O-CB 3.49Å; N1339-T1343 PolarHBondContact O-N 2.92Å; N1339-T1343 PolarHBondContact O-OG1 2.85Å |
| 1340 | Y | 67.3 | Low | 65.3 | Low | 133 Ų | 133 | 65.6 Ų | 65.6 | 52% | 0.522 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 177.7 | -179.6 | -105.3 | 0 | 0 | 0 | 112.5 | Q1336 S1337 I1338 N1344 | Q1336-Y1340 WeakPolarHBondContact O-CB 3.25Å; Q1336-Y1340 PolarHBondContact O-N 2.84Å; S1337-Y1340 PolarHBondContact O-N 2.93Å; I1338-Y1340 VanDerWaalsContact C-N 3.32Å; I1338-Y1340 PolarHBondContact O-N 2.91Å; Y1340-N1344 WeakPolarHBondContact CE1-ND2 3.39Å; Y1340-N1344 WeakPolarHBondContact O-CB 3.46Å; Y1340-N1344 VanDerWaalsContact O-CG 3.27Å; Y1340-N1344 PolarHBondContact O-N 3.26Å; Y1340-N1344 PolarHBondContact O-ND2 3.31Å |
| 1341 | W | 67.2 | Low | 65.1 | Low | 130 Ų | 130 | 67 Ų | 67 | 49% | 0.492 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 175.2 | 175 | 82.8 | 0 | 0 | 0 | 111.7 | S1337 I1338 N1344 Y1345 | S1337-W1341 WeakPolarHBondContact O-CB 3.32Å; S1337-W1341 PolarHBondContact O-N 2.81Å; I1338-W1341 PolarHBondContact O-N 3.26Å; W1341-N1344 PolarHBondContact O-N 3.3Å; W1341-Y1345 WeakPolarHBondContact O-CB 3.28Å; W1341-Y1345 PolarHBondContact O-N 3.37Å |
| 1342 | L | 61.3 | Low | 65.1 | Low | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.1 | -32.1 | -176.7 | -138.6 | 155.1 | 0 | 0 | 0 | 111.6 | L1106 I1110 I1338 Y1345 M1346 | L1106-L1342 HydrophobicContact CD1-CB 4.43Å; L1106-L1342 HydrophobicContact CD1-CD2 3.92Å; L1106-L1342 HydrophobicContact CD2-CD2 4.02Å; L1106-L1342 HydrophobicContact CG-CD2 4.38Å; I1110-L1342 HydrophobicContact CD1-CD1 3.42Å; I1110-L1342 VanDerWaalsContact CD1-CD1 3.42Å; I1338-L1342 VanDerWaalsContact O-CB 3.3Å; I1338-L1342 WeakPolarHBondContact O-CB 3.44Å; I1338-L1342 PolarHBondContact O-N 3.42Å; L1342-Y1345 PolarHBondContact O-N 3.21Å; L1342-M1346 HydrophobicContact CD2-CG 3.9Å; L1342-M1346 WeakPolarHBondContact O-CB 3.49Å; L1342-M1346 VanDerWaalsContact O-CG 3.3Å; L1342-M1346 WeakPolarHBondContact O-CG 3.37Å; L1342-M1346 PolarHBondContact O-N 3.37Å |
| 1343 | T | 63.7 | Low | 64.8 | Low | 36 Ų | 36 | 66.9 Ų | 66.9 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.7 | -54.1 | 165.1 | -70.4 | 0 | 0 | 0 | 0 | 110.8 | I128 N1339 Y1345 M1346 I1347 | I128-T1343 HydrophobicContact CD1-CG2 3.64Å; N1339-T1343 WeakPolarHBondContact O-CB 3.49Å; N1339-T1343 PolarHBondContact O-N 2.92Å; N1339-T1343 PolarHBondContact O-OG1 2.85Å; T1343-Y1345 VanDerWaalsContact C-N 3.34Å; T1343-Y1345 PolarHBondContact O-N 2.93Å; T1343-M1346 PolarHBondContact O-N 3.29Å; T1343-I1347 HydrophobicContact CG2-CD1 3.6Å; T1343-I1347 HydrophobicContact CG2-CG1 4.45Å; T1343-I1347 WeakPolarHBondContact O-CB 3.42Å; T1343-I1347 WeakPolarHBondContact O-CG1 3.47Å; T1343-I1347 PolarHBondContact O-N 2.92Å |
| 1344 | N | 65.1 | Low | 64.5 | Low | 66 Ų | 66 | 66 Ų | 66 | 35% | 0.353 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | -179.4 | -70.6 | -21.7 | 0 | 0 | 0 | 112.8 | Y1340 W1341 I1347 H1348 | Y1340-N1344 WeakPolarHBondContact CE1-ND2 3.39Å; Y1340-N1344 WeakPolarHBondContact O-CB 3.46Å; Y1340-N1344 VanDerWaalsContact O-CG 3.27Å; Y1340-N1344 PolarHBondContact O-N 3.26Å; Y1340-N1344 PolarHBondContact O-ND2 3.31Å; W1341-N1344 PolarHBondContact O-N 3.3Å; N1344-I1347 PolarHBondContact O-N 2.94Å; N1344-H1348 PolarHBondContact O-N 3.13Å |
| 1345 | Y | 63.9 | Low | 64.5 | Low | 68 Ų | 68 | 66.4 Ų | 66.4 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 175 | -178.7 | -96.5 | 0 | 0 | 0 | 111.9 | W1341 L1342 T1343 I1347 H1348 M1349 L1400 | W1341-Y1345 WeakPolarHBondContact O-CB 3.28Å; W1341-Y1345 PolarHBondContact O-N 3.37Å; L1342-Y1345 PolarHBondContact O-N 3.21Å; T1343-Y1345 VanDerWaalsContact C-N 3.34Å; T1343-Y1345 PolarHBondContact O-N 2.93Å; Y1345-I1347 VanDerWaalsContact C-N 3.33Å; Y1345-I1347 PolarHBondContact O-N 3.15Å; Y1345-H1348 WeakPolarHBondContact O-CB 3.45Å; Y1345-H1348 PolarHBondContact O-N 3.26Å; Y1345-M1349 HydrophobicContact CD1-CE 4.3Å; Y1345-M1349 HydrophobicContact CD1-CG 4.45Å; Y1345-M1349 HydrophobicContact CE1-CE 3.68Å; Y1345-M1349 HydrophobicContact CE1-CG 4Å; Y1345-M1349 HydrophobicContact CE1-SD 3.65Å; Y1345-M1349 PolarHBondContact O-N 3.05Å; Y1345-L1400 HydrophobicContact CE1-CD1 3.81Å; Y1345-L1400 HydrophobicContact CE1-CD2 4.16Å; Y1345-L1400 HydrophobicContact CE1-CG 4.09Å; Y1345-L1400 WeakPolarHBondContact OH-CD1 3.2Å |
| 1346 | M | 61.9 | Low | 64.5 | Low | 39 Ų | 39 | 67.1 Ų | 67.1 | 19% | 0.192 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 174.4 | -70.3 | -57.8 | -62.5 | 0 | 0 | 111.3 | I132 L1342 T1343 H1348 M1349 I1350 | I132-M1346 HydrophobicContact CD1-CE 3.96Å; I132-M1346 HydrophobicContact CD1-CG 4.38Å; L1342-M1346 HydrophobicContact CD2-CG 3.9Å; L1342-M1346 WeakPolarHBondContact O-CB 3.49Å; L1342-M1346 VanDerWaalsContact O-CG 3.3Å; L1342-M1346 WeakPolarHBondContact O-CG 3.37Å; L1342-M1346 PolarHBondContact O-N 3.37Å; T1343-M1346 PolarHBondContact O-N 3.29Å; M1346-H1348 VanDerWaalsContact C-N 3.31Å; M1346-H1348 PolarHBondContact O-N 2.71Å; M1346-M1349 HydrophobicContact CE-CE 4.13Å; M1346-M1349 PolarHBondContact O-N 3.13Å; M1346-M1349 HydrophobicContact SD-CE 3.56Å; M1346-M1349 VanDerWaalsContact SD-CE 3.56Å; M1346-I1350 HydrophobicContact CB-CD1 4.47Å; M1346-I1350 WeakPolarHBondContact O-CB 3.11Å; M1346-I1350 VanDerWaalsContact O-CD1 3.28Å; M1346-I1350 WeakPolarHBondContact O-CD1 3Å; M1346-I1350 WeakPolarHBondContact O-CG1 3.47Å; M1346-I1350 PolarHBondContact O-N 2.79Å |
| 1347 | I | 65.5 | Low | 64.6 | Low | 30 Ų | 30 | 63.7 Ų | 63.7 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 174.3 | -73.1 | 171.8 | 0 | 0 | 0 | 111.3 | I128 T1343 N1344 Y1345 I1350 Y1351 | I128-I1347 HydrophobicContact CD1-CG1 4.42Å; T1343-I1347 HydrophobicContact CG2-CD1 3.6Å; T1343-I1347 HydrophobicContact CG2-CG1 4.45Å; T1343-I1347 WeakPolarHBondContact O-CB 3.42Å; T1343-I1347 WeakPolarHBondContact O-CG1 3.47Å; T1343-I1347 PolarHBondContact O-N 2.92Å; N1344-I1347 PolarHBondContact O-N 2.94Å; Y1345-I1347 VanDerWaalsContact C-N 3.33Å; Y1345-I1347 PolarHBondContact O-N 3.15Å; I1347-I1350 PolarHBondContact O-N 3.17Å; I1347-Y1351 HydrophobicContact CG2-CD2 3.68Å; I1347-Y1351 HydrophobicContact CG2-CE2 3.39Å; I1347-Y1351 WeakPolarHBondContact O-CD2 3.37Å; I1347-Y1351 PolarHBondContact O-N 3.48Å |
| 1348 | H | 64.3 | Low | 64.4 | Low | 122 Ų | 122 | 62.9 Ų | 62.9 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.1 | -49.1 | 174.6 | -171 | -81.3 | 0 | 0 | 0 | 111.7 | N1344 Y1345 M1346 I1350 Y1351 Q1352 | N1344-H1348 PolarHBondContact O-N 3.13Å; Y1345-H1348 WeakPolarHBondContact O-CB 3.45Å; Y1345-H1348 PolarHBondContact O-N 3.26Å; M1346-H1348 VanDerWaalsContact C-N 3.31Å; M1346-H1348 PolarHBondContact O-N 2.71Å; H1348-I1350 VanDerWaalsContact C-N 3.31Å; H1348-I1350 PolarHBondContact O-N 3.36Å; H1348-Y1351 PolarHBondContact O-N 2.96Å; H1348-Q1352 PolarHBondContact O-N 2.94Å |
| 1349 | M | 62 | Low | 64.7 | Low | 30 Ų | 30 | 63.7 Ų | 63.7 | 15% | 0.148 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 176.6 | -66.9 | -149.5 | -58.4 | 0 | 0 | 112.6 | F325 Y1345 M1346 Q1352 L1353 | F325-M1349 HydrophobicContact CE1-SD 4.22Å; Y1345-M1349 HydrophobicContact CD1-CE 4.3Å; Y1345-M1349 HydrophobicContact CD1-CG 4.45Å; Y1345-M1349 HydrophobicContact CE1-CE 3.68Å; Y1345-M1349 HydrophobicContact CE1-CG 4Å; Y1345-M1349 HydrophobicContact CE1-SD 3.65Å; Y1345-M1349 PolarHBondContact O-N 3.05Å; M1346-M1349 HydrophobicContact CE-CE 4.13Å; M1346-M1349 PolarHBondContact O-N 3.13Å; M1346-M1349 HydrophobicContact SD-CE 3.56Å; M1346-M1349 VanDerWaalsContact SD-CE 3.56Å; M1349-Q1352 PolarHBondContact O-N 3.35Å; M1349-L1353 WeakPolarHBondContact O-CB 3.45Å; M1349-L1353 WeakPolarHBondContact O-CG 3.49Å; M1349-L1353 PolarHBondContact O-N 3.14Å |
| 1350 | I | 63.4 | Low | 65 | Low | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 175.5 | -69.4 | 159.6 | 0 | 0 | 0 | 110.2 | I127 M1346 I1347 H1348 Q1352 L1353 F1354 | I127-I1350 HydrophobicContact CB-CD1 3.89Å; I127-I1350 HydrophobicContact CD1-CD1 3.63Å; I127-I1350 HydrophobicContact CD1-CG1 3.71Å; I127-I1350 HydrophobicContact CD1-CG2 4.18Å; I127-I1350 HydrophobicContact CG1-CD1 4.33Å; I127-I1350 HydrophobicContact CG2-CD1 3.86Å; M1346-I1350 HydrophobicContact CB-CD1 4.47Å; M1346-I1350 WeakPolarHBondContact O-CB 3.11Å; M1346-I1350 VanDerWaalsContact O-CD1 3.28Å; M1346-I1350 WeakPolarHBondContact O-CD1 3Å; M1346-I1350 WeakPolarHBondContact O-CG1 3.47Å; M1346-I1350 PolarHBondContact O-N 2.79Å; I1347-I1350 PolarHBondContact O-N 3.17Å; H1348-I1350 VanDerWaalsContact C-N 3.31Å; H1348-I1350 PolarHBondContact O-N 3.36Å; I1350-Q1352 VanDerWaalsContact C-N 3.28Å; I1350-Q1352 PolarHBondContact O-N 3.13Å; I1350-L1353 PolarHBondContact O-N 2.9Å; I1350-F1354 HydrophobicContact CG2-CD2 3.8Å; I1350-F1354 HydrophobicContact CG2-CE2 4.1Å; I1350-F1354 WeakPolarHBondContact O-CD2 3.18Å; I1350-F1354 PolarHBondContact O-N 3.17Å |
| 1351 | Y | 64.9 | Low | 65.1 | Low | 128 Ų | 128 | 60.4 Ų | 60.4 | 50% | 0.502 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -31.5 | 175.8 | -74.7 | -52.4 | 0 | 0 | 0 | 113 | M37 I1347 H1348 S1355 | M37-Y1351 HydrophobicContact CE-CE2 4.08Å; I1347-Y1351 HydrophobicContact CG2-CD2 3.68Å; I1347-Y1351 HydrophobicContact CG2-CE2 3.39Å; I1347-Y1351 WeakPolarHBondContact O-CD2 3.37Å; I1347-Y1351 PolarHBondContact O-N 3.48Å; H1348-Y1351 PolarHBondContact O-N 2.96Å; Y1351-S1355 PolarHBondContact O-N 3.19Å |
| 1352 | Q | 63.7 | Low | 65.2 | Low | 65 Ų | 65 | 55.8 Ų | 55.8 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.8 | -43.2 | 174.1 | -169 | 160.8 | 1.1 | 0 | 0 | 111.8 | E478 H1348 M1349 I1350 F1354 S1355 M1358 | E478-Q1352 PolarHBondContact OE1-NE2 3.41Å; H1348-Q1352 PolarHBondContact O-N 2.94Å; M1349-Q1352 PolarHBondContact O-N 3.35Å; I1350-Q1352 VanDerWaalsContact C-N 3.28Å; I1350-Q1352 PolarHBondContact O-N 3.13Å; Q1352-F1354 PolarHBondContact O-N 2.87Å; Q1352-S1355 WeakPolarHBondContact O-CB 3.46Å; Q1352-S1355 PolarHBondContact O-N 2.95Å; Q1352-M1358 WeakPolarHBondContact O-CG 3.27Å |
| 1353 | L | 60.6 | Low | 65.7 | Low | 52 Ų | 52 | 56.7 Ų | 56.7 | 27% | 0.272 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 174.6 | -82.8 | 160.8 | 0 | 0 | 0 | 113.4 | M1349 I1350 M1358 | M1349-L1353 WeakPolarHBondContact O-CB 3.45Å; M1349-L1353 WeakPolarHBondContact O-CG 3.49Å; M1349-L1353 PolarHBondContact O-N 3.14Å; I1350-L1353 PolarHBondContact O-N 2.9Å; L1353-M1358 WeakPolarHBondContact O-CB 3.46Å |
| 1354 | F | 63.3 | Low | 66.2 | Low | 107 Ų | 107 | 57.6 Ų | 57.6 | 47% | 0.469 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 12.5 | 176 | -75.3 | -72.9 | 0 | 0 | 0 | 114.1 | L123 I1350 Q1352 | L123-F1354 HydrophobicContact CD1-CE2 4.43Å; I1350-F1354 HydrophobicContact CG2-CD2 3.8Å; I1350-F1354 HydrophobicContact CG2-CE2 4.1Å; I1350-F1354 WeakPolarHBondContact O-CD2 3.18Å; I1350-F1354 PolarHBondContact O-N 3.17Å; Q1352-F1354 PolarHBondContact O-N 2.87Å |
| 1355 | S | 65.6 | Low | 66.3 | Low | 56 Ų | 56 | 55.5 Ų | 55.5 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -58.3 | 142.4 | 167.8 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | Y1351 Q1352 D1357 M1358 L1359 | Y1351-S1355 PolarHBondContact O-N 3.19Å; Q1352-S1355 WeakPolarHBondContact O-CB 3.46Å; Q1352-S1355 PolarHBondContact O-N 2.95Å; S1355-D1357 PolarHBondContact O-N 2.94Å; S1355-D1357 VanDerWaalsContact O-N 3.08Å; S1355-M1358 PolarHBondContact O-N 3.18Å; S1355-L1359 PolarHBondContact O-N 2.88Å |
| 1356 | D | 68.5 | Low | 66.6 | Low | 55 Ų | 55 | 54.2 Ų | 54.2 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.6 | -33.4 | -176.2 | -89.5 | -41.7 | 0 | 0 | 0 | 113.2 | G67 S70 S1360 | G67-D1356 VanDerWaalsContact CA-CG 3.46Å; G67-D1356 WeakPolarHBondContact CA-OD1 3.33Å; G67-D1356 WeakPolarHBondContact CA-OD2 3.42Å; G67-D1356 PolarHBondContact N-OD1 3.16Å; G67-D1356 VanDerWaalsContact N-OD1 3.08Å; S70-D1356 PolarHBondContact OG-O 2.79Å; D1356-S1360 VanDerWaalsContact O-CB 3.27Å; D1356-S1360 WeakPolarHBondContact O-CB 3.38Å; D1356-S1360 PolarHBondContact O-N 3.2Å; D1356-S1360 PolarHBondContact O-OG 3.42Å |
| 1357 | D | 67.3 | Low | 67.1 | Low | 81 Ų | 81 | 54.2 Ų | 54.2 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.9 | -47.1 | 177.7 | -76.3 | -2.6 | 0 | 0 | 0 | 111.5 | R69 S1355 S1360 Y1361 | R69-D1357 VanDerWaalsContact CD-OD1 3.26Å; R69-D1357 WeakPolarHBondContact CD-OD1 3.45Å; R69-D1357 IonicContact CZ-OD1 3.8Å; R69-D1357 IonicContact NE-OD1 3.53Å; R69-D1357 IonicContact NH1-OD1 2.67Å; R69-D1357 PolarHBondContact NH1-OD1 3.33Å; R69-D1357 IonicContact NH1-OD2 2.8Å; R69-D1357 PolarHBondContact NH1-OD2 2.8Å; S1355-D1357 PolarHBondContact O-N 2.94Å; S1355-D1357 VanDerWaalsContact O-N 3.08Å; D1357-S1360 PolarHBondContact O-N 3.37Å; D1357-S1360 PolarHBondContact O-OG 2.85Å; D1357-Y1361 WeakPolarHBondContact O-CB 3.47Å; D1357-Y1361 PolarHBondContact O-N 3.03Å |
| 1358 | M | 65 | Low | 67.1 | Low | 43 Ų | 43 | 55.7 Ų | 55.7 | 21% | 0.212 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 177 | -65.5 | -61.4 | -81 | 0 | 0 | 111.3 | L323 Q1352 L1353 S1355 S1360 Y1361 I1362 | L323-M1358 HydrophobicContact CB-CE 3.83Å; L323-M1358 HydrophobicContact CD2-CE 3.89Å; L323-M1358 HydrophobicContact CG-CE 4.43Å; L323-M1358 WeakPolarHBondContact O-CE 3.3Å; Q1352-M1358 WeakPolarHBondContact O-CG 3.27Å; L1353-M1358 WeakPolarHBondContact O-CB 3.46Å; S1355-M1358 PolarHBondContact O-N 3.18Å; M1358-S1360 PolarHBondContact O-N 3.43Å; M1358-Y1361 PolarHBondContact O-N 2.8Å; M1358-I1362 WeakPolarHBondContact O-CB 3.2Å; M1358-I1362 VanDerWaalsContact O-CG1 3.26Å; M1358-I1362 WeakPolarHBondContact O-CG1 3.29Å; M1358-I1362 PolarHBondContact O-N 3.23Å |
| 1359 | L | 69.3 | Low | 67 | Low | 50 Ų | 50 | 53.1 Ų | 53.1 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.4 | -178.4 | 61.5 | 0 | 0 | 0 | 111.4 | S70 S1355 Y1361 I1362 L1363 | S70-L1359 WeakPolarHBondContact OG-CB 3.36Å; S70-L1359 WeakPolarHBondContact OG-CG 3.47Å; S1355-L1359 PolarHBondContact O-N 2.88Å; L1359-Y1361 VanDerWaalsContact C-N 3.32Å; L1359-Y1361 PolarHBondContact O-N 3.23Å; L1359-I1362 PolarHBondContact O-N 3.36Å; L1359-L1363 HydrophobicContact CD1-CD1 4.25Å; L1359-L1363 HydrophobicContact CD1-CG 4.28Å; L1359-L1363 HydrophobicContact CG-CD1 4.06Å; L1359-L1363 WeakPolarHBondContact O-CB 3.22Å; L1359-L1363 VanDerWaalsContact O-CG 3.25Å; L1359-L1363 WeakPolarHBondContact O-CG 3.49Å; L1359-L1363 PolarHBondContact O-N 3.32Å |
| 1360 | S | 71.8 | Confident | 67.1 | Low | 15 Ų | 15 | 52.4 Ų | 52.4 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67 | -33.6 | 177.2 | 79.5 | 0 | 0 | 0 | 0 | 112.5 | S70 D1356 D1357 M1358 N1364 | S70-S1360 PolarHBondContact OG-N 2.92Å; S70-S1360 VanDerWaalsContact OG-N 3.08Å; D1356-S1360 VanDerWaalsContact O-CB 3.27Å; D1356-S1360 WeakPolarHBondContact O-CB 3.38Å; D1356-S1360 PolarHBondContact O-N 3.2Å; D1356-S1360 PolarHBondContact O-OG 3.42Å; D1357-S1360 PolarHBondContact O-N 3.37Å; D1357-S1360 PolarHBondContact O-OG 2.85Å; M1358-S1360 PolarHBondContact O-N 3.43Å; S1360-N1364 WeakPolarHBondContact O-CB 3.35Å; S1360-N1364 PolarHBondContact O-N 2.58Å; S1360-N1364 PolarHBondContact O-ND2 3.11Å |
| 1361 | Y | 68.5 | Low | 66.9 | Low | 74 Ų | 74 | 52.7 Ų | 52.7 | 29% | 0.29 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.2 | -44.2 | 175.8 | -172.2 | -110.6 | 0 | 0 | 0 | 111.5 | H319 L323 D1357 M1358 L1359 N1364 N1365 | H319-Y1361 AromaticContact CE1-CE1 3.92Å; H319-Y1361 AromaticContact CE1-CZ 3.82Å; H319-Y1361 PolarHBondContact CE1-OH 3.21Å; H319-Y1361 AromaticContact NE2-CD1 3.93Å; H319-Y1361 AromaticContact NE2-CE1 2.77Å; H319-Y1361 WeakPolarHBondContact NE2-CE1 3.37Å; H319-Y1361 AromaticContact NE2-CZ 2.88Å; H319-Y1361 PolarHBondContact NE2-OH 3.06Å; L323-Y1361 HydrophobicContact CD1-CD1 3.88Å; L323-Y1361 HydrophobicContact CD1-CE1 3.8Å; L323-Y1361 HydrophobicContact CD2-CD1 3.68Å; L323-Y1361 HydrophobicContact CD2-CE1 3.56Å; L323-Y1361 HydrophobicContact CG-CD1 4.44Å; L323-Y1361 HydrophobicContact CG-CE1 4.21Å; D1357-Y1361 WeakPolarHBondContact O-CB 3.47Å; D1357-Y1361 PolarHBondContact O-N 3.03Å; M1358-Y1361 PolarHBondContact O-N 2.8Å; L1359-Y1361 VanDerWaalsContact C-N 3.32Å; L1359-Y1361 PolarHBondContact O-N 3.23Å; Y1361-N1364 PolarHBondContact O-N 2.99Å; Y1361-N1365 WeakPolarHBondContact CD1-ND2 3.35Å; Y1361-N1365 WeakPolarHBondContact CE1-ND2 3.05Å; Y1361-N1365 WeakPolarHBondContact O-CB 3.47Å; Y1361-N1365 VanDerWaalsContact O-CG 3.29Å; Y1361-N1365 PolarHBondContact O-N 3.16Å; Y1361-N1365 PolarHBondContact O-ND2 3.05Å; Y1361-N1365 VanDerWaalsContact O-ND2 3.1Å |
| 1362 | I | 69.1 | Low | 66.5 | Low | 33 Ų | 33 | 52.2 Ų | 52.2 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 174 | -69.5 | 164.6 | 0 | 0 | 0 | 110.4 | L320 M1358 L1359 N1364 N1365 I1366 | L320-I1362 HydrophobicContact CD2-CD1 4.5Å; L320-I1362 HydrophobicContact CD2-CG1 4.41Å; M1358-I1362 WeakPolarHBondContact O-CB 3.2Å; M1358-I1362 VanDerWaalsContact O-CG1 3.26Å; M1358-I1362 WeakPolarHBondContact O-CG1 3.29Å; M1358-I1362 PolarHBondContact O-N 3.23Å; L1359-I1362 PolarHBondContact O-N 3.36Å; I1362-N1364 PolarHBondContact O-N 2.88Å; I1362-N1365 PolarHBondContact O-N 3.17Å; I1362-I1366 HydrophobicContact CG2-CD1 3.78Å; I1362-I1366 HydrophobicContact CG2-CG1 4.47Å; I1362-I1366 WeakPolarHBondContact O-CB 3.35Å; I1362-I1366 VanDerWaalsContact O-CG1 3.31Å; I1362-I1366 WeakPolarHBondContact O-CG1 3.22Å; I1362-I1366 PolarHBondContact O-N 3.27Å |
| 1363 | L | 72 | Confident | 65.8 | Low | 29 Ų | 29 | 56.5 Ų | 56.5 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.5 | -73.1 | 170.7 | 0 | 0 | 0 | 112.1 | A73 I77 L1359 I1366 K1367 | A73-L1363 HydrophobicContact CB-CB 3.68Å; A73-L1363 HydrophobicContact CB-CD1 4.21Å; I77-L1363 HydrophobicContact CD1-CB 4.32Å; I77-L1363 HydrophobicContact CD1-CD2 4.03Å; L1359-L1363 HydrophobicContact CD1-CD1 4.25Å; L1359-L1363 HydrophobicContact CD1-CG 4.28Å; L1359-L1363 HydrophobicContact CG-CD1 4.06Å; L1359-L1363 WeakPolarHBondContact O-CB 3.22Å; L1359-L1363 VanDerWaalsContact O-CG 3.25Å; L1359-L1363 WeakPolarHBondContact O-CG 3.49Å; L1359-L1363 PolarHBondContact O-N 3.32Å; L1363-I1366 PolarHBondContact O-N 3.28Å; L1363-K1367 WeakPolarHBondContact O-CB 3.15Å; L1363-K1367 PolarHBondContact O-N 3.18Å |
| 1364 | N | 74 | Confident | 64.7 | Low | 54 Ų | 54 | 57.8 Ų | 57.8 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.1 | -30.2 | 175.4 | -80.5 | -65.7 | 0 | 0 | 0 | 113.2 | S1360 Y1361 I1362 K1367 T1368 | S1360-N1364 WeakPolarHBondContact O-CB 3.35Å; S1360-N1364 PolarHBondContact O-N 2.58Å; S1360-N1364 PolarHBondContact O-ND2 3.11Å; Y1361-N1364 PolarHBondContact O-N 2.99Å; I1362-N1364 PolarHBondContact O-N 2.88Å; N1364-K1367 PolarHBondContact OD1-NZ 2.93Å; N1364-T1368 WeakPolarHBondContact O-CG2 3.45Å; N1364-T1368 PolarHBondContact O-N 3.25Å; N1364-T1368 PolarHBondContact O-OG1 3.46Å |
| 1365 | N | 68 | Low | 63.6 | Low | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.9 | -39.7 | 171.4 | -73 | -37.9 | 0 | 0 | 0 | 112 | F316 H319 Y1361 I1362 T1368 N1369 | F316-N1365 HydrophobicContact CE2-CB 4.27Å; H319-N1365 VanDerWaalsContact NE2-CG 3.25Å; H319-N1365 PolarHBondContact NE2-ND2 3.06Å; H319-N1365 PolarHBondContact NE2-OD1 2.81Å; Y1361-N1365 WeakPolarHBondContact CD1-ND2 3.35Å; Y1361-N1365 WeakPolarHBondContact CE1-ND2 3.05Å; Y1361-N1365 WeakPolarHBondContact O-CB 3.47Å; Y1361-N1365 VanDerWaalsContact O-CG 3.29Å; Y1361-N1365 PolarHBondContact O-N 3.16Å; Y1361-N1365 PolarHBondContact O-ND2 3.05Å; Y1361-N1365 VanDerWaalsContact O-ND2 3.1Å; I1362-N1365 PolarHBondContact O-N 3.17Å; N1365-T1368 WeakPolarHBondContact CA-OG1 3.49Å; N1365-T1368 PolarHBondContact O-N 3.13Å; N1365-T1368 PolarHBondContact O-OG1 2.61Å; N1365-N1369 WeakPolarHBondContact O-CB 3.33Å; N1365-N1369 PolarHBondContact O-N 3.37Å; N1365-N1369 PolarHBondContact O-ND2 2.83Å |
| 1366 | I | 69.6 | Low | 62.3 | Low | 41 Ų | 41 | 64.3 Ų | 64.3 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 172.9 | -70.9 | 168.7 | 0 | 0 | 0 | 109.7 | F316 I1362 L1363 N1369 I1370 | F316-I1366 HydrophobicContact CE2-CG1 4.36Å; F316-I1366 HydrophobicContact CZ-CG1 4.03Å; I1362-I1366 HydrophobicContact CG2-CD1 3.78Å; I1362-I1366 HydrophobicContact CG2-CG1 4.47Å; I1362-I1366 WeakPolarHBondContact O-CB 3.35Å; I1362-I1366 VanDerWaalsContact O-CG1 3.31Å; I1362-I1366 WeakPolarHBondContact O-CG1 3.22Å; I1362-I1366 PolarHBondContact O-N 3.27Å; L1363-I1366 PolarHBondContact O-N 3.28Å; I1366-N1369 PolarHBondContact O-N 3.1Å; I1366-I1370 HydrophobicContact CG2-CD1 3.52Å; I1366-I1370 HydrophobicContact CG2-CG1 4.2Å; I1366-I1370 WeakPolarHBondContact O-CB 3.13Å; I1366-I1370 VanDerWaalsContact O-CG1 3.29Å; I1366-I1370 WeakPolarHBondContact O-CG1 3.19Å; I1366-I1370 PolarHBondContact O-N 2.74Å |
| 1367 | K | 71.8 | Confident | 61 | Low | 38 Ų | 38 | 69.4 Ų | 69.4 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.1 | -50 | 174.2 | 177.1 | 178.8 | 130.5 | -169.2 | 0 | 112.7 | S76 I77 L80 L1363 N1364 F1371 | S76-K1367 WeakPolarHBondContact OG-CD 3.14Å; S76-K1367 WeakPolarHBondContact OG-CE 3.4Å; S76-K1367 PolarHBondContact OG-NZ 2.93Å; I77-K1367 HydrophobicContact CD1-CB 4.24Å; I77-K1367 HydrophobicContact CG1-CB 3.74Å; I77-K1367 HydrophobicContact CG1-CD 4.23Å; I77-K1367 HydrophobicContact CG1-CG 4.07Å; L80-K1367 HydrophobicContact CD1-CD 4Å; L80-K1367 HydrophobicContact CD1-CG 3.68Å; L1363-K1367 WeakPolarHBondContact O-CB 3.15Å; L1363-K1367 PolarHBondContact O-N 3.18Å; N1364-K1367 PolarHBondContact OD1-NZ 2.93Å; K1367-F1371 HydrophobicContact CG-CD2 4.2Å; K1367-F1371 VanDerWaalsContact O-CD2 3.29Å; K1367-F1371 WeakPolarHBondContact O-CD2 3.42Å; K1367-F1371 PolarHBondContact O-N 3.38Å |
| 1368 | T | 67.2 | Low | 60.2 | Low | 62 Ų | 62 | 70.3 Ų | 70.3 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 179.3 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | N1364 N1365 F1372 | N1364-T1368 WeakPolarHBondContact O-CG2 3.45Å; N1364-T1368 PolarHBondContact O-N 3.25Å; N1364-T1368 PolarHBondContact O-OG1 3.46Å; N1365-T1368 WeakPolarHBondContact CA-OG1 3.49Å; N1365-T1368 PolarHBondContact O-N 3.13Å; N1365-T1368 PolarHBondContact O-OG1 2.61Å; T1368-F1372 CarbonylContact O-C 3.51Å; T1368-F1372 WeakPolarHBondContact O-CA 3.3Å; T1368-F1372 VanDerWaalsContact O-CB 3.31Å; T1368-F1372 WeakPolarHBondContact O-CB 3.3Å; T1368-F1372 PolarHBondContact O-N 3.43Å |
| 1369 | N | 61.5 | Low | 59.3 | Low | 68 Ų | 68 | 75.8 Ų | 75.8 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.2 | -29.5 | -179.3 | -73.2 | -81.7 | 0 | 0 | 0 | 114.5 | I310 N1365 I1366 | I310-N1369 HydrophobicContact CD1-CB 3.83Å; I310-N1369 HydrophobicContact CG1-CB 4.17Å; I310-N1369 HydrophobicContact CG2-CB 4.05Å; N1365-N1369 WeakPolarHBondContact O-CB 3.33Å; N1365-N1369 PolarHBondContact O-N 3.37Å; N1365-N1369 PolarHBondContact O-ND2 2.83Å; I1366-N1369 PolarHBondContact O-N 3.1Å |
| 1370 | I | 63.4 | Low | 58.7 | Low | 15 Ų | 15 | 75.8 Ų | 75.8 | 8% | 0.077 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.2 | -49.6 | 176.3 | -74.2 | 178.4 | 0 | 0 | 0 | 111.5 | A307 I310 I1366 | A307-I1370 HydrophobicContact CB-CD1 4.48Å; I310-I1370 HydrophobicContact CD1-CB 4.26Å; I310-I1370 HydrophobicContact CD1-CG1 3.42Å; I310-I1370 VanDerWaalsContact CD1-CG1 3.42Å; I1366-I1370 HydrophobicContact CG2-CD1 3.52Å; I1366-I1370 HydrophobicContact CG2-CG1 4.2Å; I1366-I1370 WeakPolarHBondContact O-CB 3.13Å; I1366-I1370 VanDerWaalsContact O-CG1 3.29Å; I1366-I1370 WeakPolarHBondContact O-CG1 3.19Å; I1366-I1370 PolarHBondContact O-N 2.74Å |
| 1371 | F | 60.3 | Low | 58.2 | Low | 17 Ų | 17 | 80.3 Ų | 80.3 | 8% | 0.075 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -94 | -37.5 | -169.9 | -61.8 | -71.1 | 0 | 0 | 0 | 112.4 | I77 L80 L81 Y85 K1367 H1373 | I77-F1371 HydrophobicContact CG2-CE2 4.23Å; I77-F1371 HydrophobicContact CG2-CZ 4.48Å; L80-F1371 HydrophobicContact CB-CD1 3.86Å; L80-F1371 HydrophobicContact CB-CD2 3.73Å; L80-F1371 HydrophobicContact CB-CE1 3.75Å; L80-F1371 HydrophobicContact CB-CE2 3.63Å; L80-F1371 HydrophobicContact CB-CG 3.86Å; L80-F1371 HydrophobicContact CB-CZ 3.64Å; L80-F1371 HydrophobicContact CD1-CD2 3.73Å; L80-F1371 HydrophobicContact CD1-CE2 4.19Å; L80-F1371 HydrophobicContact CD1-CG 4.17Å; L80-F1371 HydrophobicContact CG-CD2 4.31Å; L80-F1371 HydrophobicContact CG-CG 4.46Å; L81-F1371 HydrophobicContact CB-CE1 4.43Å; L81-F1371 HydrophobicContact CB-CZ 4.13Å; Y85-F1371 HydrophobicContact CD2-CE1 4.35Å; Y85-F1371 HydrophobicContact CE2-CD1 4.33Å; Y85-F1371 AromaticContact CE2-CE1 3.92Å; Y85-F1371 HydrophobicContact CE2-CE1 3.92Å; K1367-F1371 HydrophobicContact CG-CD2 4.2Å; K1367-F1371 VanDerWaalsContact O-CD2 3.29Å; K1367-F1371 WeakPolarHBondContact O-CD2 3.42Å; K1367-F1371 PolarHBondContact O-N 3.38Å; F1371-H1373 PolarHBondContact O-N 3.31Å |
| 1372 | F | 56.7 | Low | 58.2 | Low | 118 Ų | 118 | 81.6 Ų | 81.6 | 52% | 0.518 | 42% | 0.417 | S | S | . | . | trans | -104.9 | 83.2 | -173.6 | -57.4 | -94 | 0 | 0 | 0 | 111.5 | L80 T1368 S1374 | L80-F1372 HydrophobicContact CD1-CE2 4.15Å; L80-F1372 HydrophobicContact CD2-CE2 4.45Å; L80-F1372 HydrophobicContact CD2-CZ 4.35Å; T1368-F1372 CarbonylContact O-C 3.51Å; T1368-F1372 WeakPolarHBondContact O-CA 3.3Å; T1368-F1372 VanDerWaalsContact O-CB 3.31Å; T1368-F1372 WeakPolarHBondContact O-CB 3.3Å; T1368-F1372 PolarHBondContact O-N 3.43Å; F1372-S1374 PolarHBondContact O-N 3.34Å | ||
| 1373 | H | 49.3 | Very low | 58.1 | Low | 156 Ų | 156 | 83.7 Ų | 83.7 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | trans | -58.6 | 14.6 | 175.9 | -79.5 | -57.5 | 0 | 0 | 0 | 116.4 | K935 F1371 | K935-H1373 PolarHBondContact NZ-NE2 3.15Å; F1371-H1373 PolarHBondContact O-N 3.31Å | ||
| 1374 | S | 37.2 | Very low | 58 | Low | 79 Ų | 79 | 86.1 Ų | 86.1 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | trans | -131.5 | 90.2 | -176.9 | 169 | 0 | 0 | 0 | 0 | 110.8 | F1372 K1376 | F1372-S1374 PolarHBondContact O-N 3.34Å; S1374-K1376 VanDerWaalsContact C-N 3.28Å; S1374-K1376 PolarHBondContact O-N 2.94Å | ||
| 1375 | S | 39.4 | Very low | 57.9 | Low | 118 Ų | 118 | 85.1 Ų | 85.1 | 83% | 0.825 | 44% | 0.437 | S | S | * | . | trans | -68.7 | 80.9 | 170.9 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1376 | K | 38.3 | Very low | 58.4 | Low | 182 Ų | 182 | 87.2 Ų | 87.2 | 79% | 0.791 | 45% | 0.445 | S | S | * | . | trans | -109.9 | 137.1 | 158.3 | -69.4 | -173.3 | 175.6 | -173.8 | 0 | 107.1 | S1374 | S1374-K1376 VanDerWaalsContact C-N 3.28Å; S1374-K1376 PolarHBondContact O-N 2.94Å | ||
| 1377 | K | 40.6 | Very low | 58.8 | Low | 161 Ų | 161 | 89.3 Ų | 89.3 | 70% | 0.7 | 45% | 0.454 | S | S | * | . | trans | 72.7 | 65.5 | -162.6 | -62.3 | -164.4 | 164.1 | -152.2 | 0 | 115.6 | D338 | D338-K1377 IonicContact OD2-NZ 2.88Å; D338-K1377 PolarHBondContact OD2-NZ 2.87Å | ||
| 1378 | I | 50.5 | Low | 59 | Low | 100 Ų | 100 | 91.1 Ų | 91.1 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | -133 | 112.2 | 128 | -55 | 178 | 0 | 0 | 0 | 104.1 | M1380 | I1378-M1380 HydrophobicContact CG2-CB 4.26Å; I1378-M1380 PolarHBondContact O-N 3.28Å | |||
| 1379 | D | 47.8 | Very low | 59.6 | Low | 159 Ų | 159 | 88.1 Ų | 88.1 | 85% | 0.85 | 44% | 0.443 | S | S | * | . | trans | -80.5 | 28.2 | -167.1 | -57.1 | -28.3 | 0 | 0 | 0 | 113.4 | ||||
| 1380 | M | 55.3 | Low | 60.5 | Low | 49 Ų | 49 | 86 Ų | 86 | 24% | 0.241 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -129.3 | 133.4 | -173.9 | -154.3 | 171.5 | 75.2 | 0 | 0 | 108.4 | I1378 E1384 R1385 K1388 | I1378-M1380 HydrophobicContact CG2-CB 4.26Å; I1378-M1380 PolarHBondContact O-N 3.28Å; M1380-E1384 HydrophobicContact CG-CB 4.15Å; M1380-E1384 HydrophobicContact CG-CG 3.89Å; M1380-E1384 WeakPolarHBondContact CG-OE2 3.08Å; M1380-E1384 HydrophobicContact SD-CG 4.41Å; M1380-R1385 HydrophobicContact CE-CB 4.25Å; M1380-R1385 HydrophobicContact CE-CG 3.34Å; M1380-R1385 PolarHBondContact O-NH1 3.38Å; M1380-K1388 HydrophobicContact CE-CD 4Å; M1380-K1388 HydrophobicContact SD-CD 3.85Å; M1380-K1388 PolarHBondContact SD-NZ 2.7Å |
| 1381 | D | 61.6 | Low | 61.2 | Low | 110 Ų | 110 | 87.6 Ų | 87.6 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | trans | -73.5 | 158 | -167.8 | -146.6 | -18.3 | 0 | 0 | 0 | 112.2 | S1383 E1384 R1385 | D1381-S1383 VanDerWaalsContact C-N 3.26Å; D1381-S1383 PolarHBondContact O-N 3.27Å; D1381-E1384 HydrophobicContact CB-CB 4.26Å; D1381-E1384 PolarHBondContact O-N 3.44Å; D1381-E1384 VanDerWaalsContact O-N 3.09Å; D1381-R1385 PolarHBondContact O-N 2.93Å | ||
| 1382 | K | 67.8 | Low | 61.9 | Low | 102 Ų | 102 | 86.8 Ų | 86.8 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | -179.2 | 176.3 | 172.7 | 172 | 130.7 | 0 | 111.5 | D315 K1386 | D315-K1382 WeakPolarHBondContact OD1-CE 3.45Å; D315-K1382 IonicContact OD1-NZ 2.76Å; D315-K1382 PolarHBondContact OD1-NZ 3Å; D315-K1382 WeakPolarHBondContact OD2-CD 3.47Å; D315-K1382 WeakPolarHBondContact OD2-CE 3.25Å; D315-K1382 IonicContact OD2-NZ 3.26Å; D315-K1382 PolarHBondContact OD2-NZ 3.19Å; K1382-K1386 PolarHBondContact O-N 3.46Å |
| 1383 | S | 67 | Low | 62.8 | Low | 77 Ų | 77 | 82.1 Ų | 82.1 | 54% | 0.538 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 171.3 | 41.5 | 0 | 0 | 0 | 0 | 112.2 | D1381 K1386 E1387 | D1381-S1383 VanDerWaalsContact C-N 3.26Å; D1381-S1383 PolarHBondContact O-N 3.27Å; S1383-K1386 WeakPolarHBondContact O-CB 3.37Å; S1383-K1386 PolarHBondContact O-N 3.34Å; S1383-E1387 PolarHBondContact O-N 3.46Å |
| 1384 | E | 70.4 | Confident | 63.8 | Low | 79 Ų | 79 | 76 Ų | 76 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71 | -40 | -178.3 | -168.6 | -174.5 | 172.3 | 0 | 0 | 112.4 | M1380 D1381 K1386 E1387 K1388 | M1380-E1384 HydrophobicContact CG-CB 4.15Å; M1380-E1384 HydrophobicContact CG-CG 3.89Å; M1380-E1384 WeakPolarHBondContact CG-OE2 3.08Å; M1380-E1384 HydrophobicContact SD-CG 4.41Å; D1381-E1384 HydrophobicContact CB-CB 4.26Å; D1381-E1384 PolarHBondContact O-N 3.44Å; D1381-E1384 VanDerWaalsContact O-N 3.09Å; E1384-K1386 VanDerWaalsContact C-N 3.3Å; E1384-K1386 PolarHBondContact O-N 2.93Å; E1384-E1387 PolarHBondContact O-N 3.46Å; E1384-K1388 HydrophobicContact CG-CD 4.29Å; E1384-K1388 WeakPolarHBondContact O-CB 3.24Å; E1384-K1388 WeakPolarHBondContact O-CG 3.41Å; E1384-K1388 PolarHBondContact O-N 3.09Å; E1384-K1388 WeakPolarHBondContact OE1-CE 3.23Å; E1384-K1388 IonicContact OE1-NZ 3.1Å; E1384-K1388 PolarHBondContact OE1-NZ 2.98Å |
| 1385 | R | 72.2 | Confident | 65.5 | Low | 33 Ų | 33 | 76.2 Ų | 76.2 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 168.6 | -92.5 | -167.2 | -60.6 | -67.4 | -6 | 111.6 | M1380 D1381 A1389 | M1380-R1385 HydrophobicContact CE-CB 4.25Å; M1380-R1385 HydrophobicContact CE-CG 3.34Å; M1380-R1385 PolarHBondContact O-NH1 3.38Å; D1381-R1385 PolarHBondContact O-N 2.93Å; R1385-A1389 WeakPolarHBondContact O-CB 3.31Å; R1385-A1389 PolarHBondContact O-N 3.34Å |
| 1386 | K | 79 | Confident | 66.8 | Low | 67 Ų | 67 | 70.9 Ų | 70.9 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 176.6 | -178.5 | -179.1 | 172.9 | 179.2 | 0 | 110.7 | K1382 S1383 E1384 A1389 R1390 F1420 N1421 Q1424 | K1382-K1386 PolarHBondContact O-N 3.46Å; S1383-K1386 WeakPolarHBondContact O-CB 3.37Å; S1383-K1386 PolarHBondContact O-N 3.34Å; E1384-K1386 VanDerWaalsContact C-N 3.3Å; E1384-K1386 PolarHBondContact O-N 2.93Å; K1386-A1389 PolarHBondContact O-N 2.66Å; K1386-R1390 PolarHBondContact O-N 2.87Å; K1386-F1420 HydrophobicContact CD-CE1 4.13Å; K1386-F1420 HydrophobicContact CG-CE1 3.55Å; K1386-F1420 HydrophobicContact CG-CZ 3.61Å; K1386-F1420 WeakPolarHBondContact O-CZ 3.49Å; K1386-N1421 PolarHBondContact NZ-OD1 3.28Å; K1386-Q1424 HydrophobicContact CD-CG 4.32Å |
| 1387 | E | 77.2 | Confident | 68.2 | Low | 85 Ų | 85 | 65 Ų | 65 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | -175.9 | -171.7 | 53.9 | -148.6 | 0 | 0 | 112.6 | S1383 E1384 A1389 R1390 V1391 | S1383-E1387 PolarHBondContact O-N 3.46Å; E1384-E1387 PolarHBondContact O-N 3.46Å; E1387-A1389 VanDerWaalsContact C-N 3.31Å; E1387-A1389 PolarHBondContact O-N 3.41Å; E1387-R1390 VanDerWaalsContact CD-NE 3.32Å; E1387-R1390 WeakPolarHBondContact O-CB 3.18Å; E1387-R1390 PolarHBondContact O-N 3.28Å; E1387-R1390 IonicContact OE1-CZ 3.66Å; E1387-R1390 VanDerWaalsContact OE1-CZ 3.27Å; E1387-R1390 IonicContact OE1-NE 3.8Å; E1387-R1390 PolarHBondContact OE1-NE 3.06Å; E1387-R1390 IonicContact OE1-NH2 3.72Å; E1387-R1390 PolarHBondContact OE1-NH2 2.69Å; E1387-R1390 WeakPolarHBondContact OE2-CD 3.17Å; E1387-R1390 IonicContact OE2-NE 2.77Å; E1387-R1390 PolarHBondContact OE2-NE 2.87Å; E1387-R1390 VanDerWaalsContact OE2-NE 3.12Å; E1387-V1391 WeakPolarHBondContact O-CG2 3.48Å; E1387-V1391 PolarHBondContact O-N 2.87Å |
| 1388 | K | 77.2 | Confident | 69.4 | Low | 76 Ų | 76 | 60.9 Ų | 60.9 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 173.5 | -69.8 | 179.9 | -176.5 | 172.9 | 0 | 111.9 | L322 M1380 E1384 A1392 | L322-K1388 HydrophobicContact CD1-CB 4.45Å; L322-K1388 HydrophobicContact CD2-CB 3.93Å; M1380-K1388 HydrophobicContact CE-CD 4Å; M1380-K1388 HydrophobicContact SD-CD 3.85Å; M1380-K1388 PolarHBondContact SD-NZ 2.7Å; E1384-K1388 HydrophobicContact CG-CD 4.29Å; E1384-K1388 WeakPolarHBondContact O-CB 3.24Å; E1384-K1388 WeakPolarHBondContact O-CG 3.41Å; E1384-K1388 PolarHBondContact O-N 3.09Å; E1384-K1388 WeakPolarHBondContact OE1-CE 3.23Å; E1384-K1388 IonicContact OE1-NZ 3.1Å; E1384-K1388 PolarHBondContact OE1-NZ 2.98Å; K1388-A1392 VanDerWaalsContact O-CB 3.27Å; K1388-A1392 WeakPolarHBondContact O-CB 3.41Å; K1388-A1392 PolarHBondContact O-N 3.4Å |
| 1389 | A | 78.3 | Confident | 69.9 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.8 | -37 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N318 I321 L322 R1385 K1386 E1387 A1392 I1393 F1420 | N318-A1389 HydrophobicContact CB-CB 3.92Å; I321-A1389 HydrophobicContact CB-CB 4.34Å; I321-A1389 HydrophobicContact CG2-CB 3.96Å; L322-A1389 HydrophobicContact CG-CB 4.26Å; R1385-A1389 WeakPolarHBondContact O-CB 3.31Å; R1385-A1389 PolarHBondContact O-N 3.34Å; K1386-A1389 PolarHBondContact O-N 2.66Å; E1387-A1389 VanDerWaalsContact C-N 3.31Å; E1387-A1389 PolarHBondContact O-N 3.41Å; A1389-A1392 PolarHBondContact O-N 3.42Å; A1389-I1393 PolarHBondContact O-N 2.78Å; A1389-I1393 VanDerWaalsContact O-N 3.09Å; A1389-F1420 HydrophobicContact CB-CE2 4.01Å; A1389-F1420 HydrophobicContact CB-CZ 4.14Å |
| 1390 | R | 80.2 | Confident | 70.4 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -53.7 | 173.2 | -160.8 | -169.4 | 75.2 | 57.1 | 22 | 110.8 | K1386 E1387 A1392 I1393 E1394 H1413 D1417 F1420 | K1386-R1390 PolarHBondContact O-N 2.87Å; E1387-R1390 VanDerWaalsContact CD-NE 3.32Å; E1387-R1390 WeakPolarHBondContact O-CB 3.18Å; E1387-R1390 PolarHBondContact O-N 3.28Å; E1387-R1390 IonicContact OE1-CZ 3.66Å; E1387-R1390 VanDerWaalsContact OE1-CZ 3.27Å; E1387-R1390 IonicContact OE1-NE 3.8Å; E1387-R1390 PolarHBondContact OE1-NE 3.06Å; E1387-R1390 IonicContact OE1-NH2 3.72Å; E1387-R1390 PolarHBondContact OE1-NH2 2.69Å; E1387-R1390 WeakPolarHBondContact OE2-CD 3.17Å; E1387-R1390 IonicContact OE2-NE 2.77Å; E1387-R1390 PolarHBondContact OE2-NE 2.87Å; E1387-R1390 VanDerWaalsContact OE2-NE 3.12Å; R1390-A1392 VanDerWaalsContact C-N 3.31Å; R1390-A1392 PolarHBondContact O-N 3.21Å; R1390-I1393 PolarHBondContact O-N 3.03Å; R1390-E1394 IonicContact CZ-OE2 3.01Å; R1390-E1394 VanDerWaalsContact CZ-OE2 3.26Å; R1390-E1394 IonicContact NH1-OE2 3.11Å; R1390-E1394 PolarHBondContact NH1-OE2 2.97Å; R1390-E1394 IonicContact NH2-OE2 3.63Å; R1390-E1394 PolarHBondContact NH2-OE2 2.83Å; R1390-E1394 WeakPolarHBondContact O-CB 3.48Å; R1390-E1394 PolarHBondContact O-N 2.94Å; R1390-H1413 PolarHBondContact NH1-CE1 2.96Å; R1390-D1417 VanDerWaalsContact CD-OD1 3.25Å; R1390-D1417 WeakPolarHBondContact CD-OD1 3.44Å; R1390-D1417 IonicContact CZ-OD1 2.95Å; R1390-D1417 IonicContact NE-OD1 2.9Å; R1390-D1417 IonicContact NH1-OD1 3.18Å; R1390-D1417 PolarHBondContact NH1-OD1 2.92Å; R1390-F1420 HydrophobicContact CB-CD1 3.8Å; R1390-F1420 HydrophobicContact CB-CE1 3.47Å; R1390-F1420 VanDerWaalsContact CB-CE1 3.47Å; R1390-F1420 HydrophobicContact CB-CE2 4.48Å; R1390-F1420 HydrophobicContact CB-CG 4.38Å; R1390-F1420 HydrophobicContact CB-CZ 3.87Å; R1390-F1420 HydrophobicContact CG-CD1 3.49Å; R1390-F1420 VanDerWaalsContact CG-CD1 3.49Å; R1390-F1420 HydrophobicContact CG-CE1 3.69Å; R1390-F1420 HydrophobicContact CG-CG 4.09Å; R1390-F1420 HydrophobicContact CG-CZ 4.48Å |
| 1391 | V | 78.6 | Confident | 70.3 | Confident | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -34.2 | 178.3 | 172.3 | 0 | 0 | 0 | 0 | 112 | E1387 E1394 K1395 | E1387-V1391 WeakPolarHBondContact O-CG2 3.48Å; E1387-V1391 PolarHBondContact O-N 2.87Å; V1391-E1394 PolarHBondContact O-N 2.8Å; V1391-K1395 HydrophobicContact CG1-CD 4.21Å; V1391-K1395 HydrophobicContact CG1-CG 4.39Å; V1391-K1395 WeakPolarHBondContact O-CB 3.42Å; V1391-K1395 VanDerWaalsContact O-CG 3.3Å; V1391-K1395 WeakPolarHBondContact O-CG 3.14Å; V1391-K1395 PolarHBondContact O-N 2.86Å |
| 1392 | A | 75.1 | Confident | 69.9 | Low | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L322 F325 C328 K1388 A1389 R1390 A1396 | L322-A1392 HydrophobicContact CD2-CB 4.19Å; F325-A1392 HydrophobicContact CB-CB 4.47Å; C328-A1392 HydrophobicContact CB-CB 3.91Å; K1388-A1392 VanDerWaalsContact O-CB 3.27Å; K1388-A1392 WeakPolarHBondContact O-CB 3.41Å; K1388-A1392 PolarHBondContact O-N 3.4Å; A1389-A1392 PolarHBondContact O-N 3.42Å; R1390-A1392 VanDerWaalsContact C-N 3.31Å; R1390-A1392 PolarHBondContact O-N 3.21Å; A1392-A1396 WeakPolarHBondContact O-CB 3.41Å; A1392-A1396 PolarHBondContact O-N 2.98Å |
| 1393 | I | 75.1 | Confident | 69.1 | Low | 20 Ų | 20 | 50.4 Ų | 50.4 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 173.9 | -71.9 | 166.6 | 0 | 0 | 0 | 111.2 | I321 F325 A1389 R1390 A1396 I1397 V1416 F1420 | I321-I1393 HydrophobicContact CD1-CD1 3.73Å; I321-I1393 HydrophobicContact CG1-CD1 4.1Å; I321-I1393 HydrophobicContact CG2-CD1 3.73Å; I321-I1393 HydrophobicContact CG2-CG1 3.66Å; F325-I1393 HydrophobicContact CE2-CG1 4.35Å; A1389-I1393 PolarHBondContact O-N 2.78Å; A1389-I1393 VanDerWaalsContact O-N 3.09Å; R1390-I1393 PolarHBondContact O-N 3.03Å; I1393-A1396 PolarHBondContact O-N 3.1Å; I1393-I1397 HydrophobicContact CG2-CD1 3.68Å; I1393-I1397 HydrophobicContact CG2-CG1 4.5Å; I1393-I1397 WeakPolarHBondContact O-CB 3.47Å; I1393-I1397 WeakPolarHBondContact O-CG1 3.46Å; I1393-I1397 PolarHBondContact O-N 3.16Å; I1393-V1416 HydrophobicContact CG2-CG1 3.97Å; I1393-F1420 HydrophobicContact CD1-CD2 3.77Å; I1393-F1420 HydrophobicContact CD1-CE2 4.28Å |
| 1394 | E | 71.8 | Confident | 68.3 | Low | 26 Ų | 26 | 50.2 Ų | 50.2 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -50.2 | 178 | -172 | 172 | 179.2 | 0 | 0 | 111.3 | R1390 V1391 I1397 Q1398 H1413 V1416 | R1390-E1394 IonicContact CZ-OE2 3.01Å; R1390-E1394 VanDerWaalsContact CZ-OE2 3.26Å; R1390-E1394 IonicContact NH1-OE2 3.11Å; R1390-E1394 PolarHBondContact NH1-OE2 2.97Å; R1390-E1394 IonicContact NH2-OE2 3.63Å; R1390-E1394 PolarHBondContact NH2-OE2 2.83Å; R1390-E1394 WeakPolarHBondContact O-CB 3.48Å; R1390-E1394 PolarHBondContact O-N 2.94Å; V1391-E1394 PolarHBondContact O-N 2.8Å; E1394-I1397 PolarHBondContact O-N 3.45Å; E1394-Q1398 VanDerWaalsContact O-CG 3.24Å; E1394-Q1398 WeakPolarHBondContact O-CG 3.5Å; E1394-Q1398 PolarHBondContact O-N 2.83Å; E1394-Q1398 VanDerWaalsContact O-N 3.08Å; E1394-H1413 IonicContact OE1-CE1 2.87Å; E1394-H1413 IonicContact OE1-CG 3.88Å; E1394-H1413 IonicContact OE1-ND1 2.67Å; E1394-H1413 PolarHBondContact OE1-ND1 3.1Å; E1394-H1413 IonicContact OE2-CE1 3.79Å; E1394-H1413 IonicContact OE2-ND1 3.03Å; E1394-H1413 PolarHBondContact OE2-ND1 2.94Å; E1394-V1416 HydrophobicContact CB-CG1 4.15Å |
| 1395 | K | 71.7 | Confident | 67.3 | Low | 84 Ų | 84 | 56.8 Ų | 56.8 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 172.6 | -73.2 | 177.2 | -179.4 | -174.3 | 0 | 112.8 | C328 V1391 I1397 Q1398 N1399 | C328-K1395 HydrophobicContact CB-CB 4.48Å; C328-K1395 HydrophobicContact CB-CD 3.98Å; C328-K1395 PolarHBondContact O-NZ 2.86Å; C328-K1395 VanDerWaalsContact SG-CB 3.52Å; V1391-K1395 HydrophobicContact CG1-CD 4.21Å; V1391-K1395 HydrophobicContact CG1-CG 4.39Å; V1391-K1395 WeakPolarHBondContact O-CB 3.42Å; V1391-K1395 VanDerWaalsContact O-CG 3.3Å; V1391-K1395 WeakPolarHBondContact O-CG 3.14Å; V1391-K1395 PolarHBondContact O-N 2.86Å; K1395-I1397 VanDerWaalsContact C-N 3.3Å; K1395-I1397 PolarHBondContact O-N 3.3Å; K1395-Q1398 CarbonylContact O-C 3.32Å; K1395-Q1398 PolarHBondContact O-N 2.99Å; K1395-N1399 WeakPolarHBondContact O-CB 3.5Å; K1395-N1399 PolarHBondContact O-N 2.72Å |
| 1396 | A | 67.5 | Low | 65.9 | Low | 6 Ų | 6 | 58.7 Ų | 58.7 | 5% | 0.05 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | F325 A1392 I1393 N1399 L1400 | F325-A1396 HydrophobicContact CD1-CB 3.66Å; F325-A1396 HydrophobicContact CD2-CB 4.19Å; F325-A1396 HydrophobicContact CE1-CB 3.54Å; F325-A1396 HydrophobicContact CE2-CB 4.07Å; F325-A1396 HydrophobicContact CG-CB 4Å; F325-A1396 HydrophobicContact CZ-CB 3.75Å; A1392-A1396 WeakPolarHBondContact O-CB 3.41Å; A1392-A1396 PolarHBondContact O-N 2.98Å; I1393-A1396 PolarHBondContact O-N 3.1Å; A1396-N1399 PolarHBondContact O-N 3.24Å; A1396-L1400 WeakPolarHBondContact O-CB 3.46Å; A1396-L1400 WeakPolarHBondContact O-CD1 3.45Å; A1396-L1400 PolarHBondContact O-N 3.45Å |
| 1397 | I | 67 | Low | 64.5 | Low | 58 Ų | 58 | 57.3 Ų | 57.3 | 30% | 0.297 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.5 | -38.5 | 176.4 | -72.3 | 166.5 | 0 | 0 | 0 | 111.3 | I1393 E1394 K1395 N1399 T1401 V1412 V1416 | I1393-I1397 HydrophobicContact CG2-CD1 3.68Å; I1393-I1397 HydrophobicContact CG2-CG1 4.5Å; I1393-I1397 WeakPolarHBondContact O-CB 3.47Å; I1393-I1397 WeakPolarHBondContact O-CG1 3.46Å; I1393-I1397 PolarHBondContact O-N 3.16Å; E1394-I1397 PolarHBondContact O-N 3.45Å; K1395-I1397 VanDerWaalsContact C-N 3.3Å; K1395-I1397 PolarHBondContact O-N 3.3Å; I1397-N1399 VanDerWaalsContact C-N 3.26Å; I1397-N1399 PolarHBondContact O-N 3.04Å; I1397-T1401 PolarHBondContact O-N 3.29Å; I1397-T1401 VanDerWaalsContact O-N 3.16Å; I1397-T1401 PolarHBondContact O-OG1 3.37Å; I1397-V1412 HydrophobicContact CG2-CG1 4.32Å; I1397-V1416 HydrophobicContact CD1-CG2 3.8Å |
| 1398 | Q | 65.7 | Low | 63.6 | Low | 76 Ų | 76 | 57.1 Ų | 57.1 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -29.4 | 171.3 | -70.5 | 168.1 | 7.8 | 0 | 0 | 112.9 | E1394 K1395 T1401 | E1394-Q1398 VanDerWaalsContact O-CG 3.24Å; E1394-Q1398 WeakPolarHBondContact O-CG 3.5Å; E1394-Q1398 PolarHBondContact O-N 2.83Å; E1394-Q1398 VanDerWaalsContact O-N 3.08Å; K1395-Q1398 CarbonylContact O-C 3.32Å; K1395-Q1398 PolarHBondContact O-N 2.99Å; Q1398-T1401 VanDerWaalsContact O-O 3.06Å |
| 1399 | N | 62.4 | Low | 62.9 | Low | 110 Ų | 110 | 58.9 Ų | 58.9 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -84.9 | -40.5 | 176.8 | -74.4 | 2.4 | 0 | 0 | 0 | 113.1 | K1395 A1396 I1397 T1401 | K1395-N1399 WeakPolarHBondContact O-CB 3.5Å; K1395-N1399 PolarHBondContact O-N 2.72Å; A1396-N1399 PolarHBondContact O-N 3.24Å; I1397-N1399 VanDerWaalsContact C-N 3.26Å; I1397-N1399 PolarHBondContact O-N 3.04Å; N1399-T1401 PolarHBondContact O-N 2.89Å |
| 1400 | L | 57.4 | Low | 62.2 | Low | 56 Ų | 56 | 66.4 Ų | 66.4 | 29% | 0.293 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.8 | -20.9 | 174.8 | -97.7 | 80.4 | 0 | 0 | 0 | 112.3 | Y1345 A1396 | Y1345-L1400 HydrophobicContact CE1-CD1 3.81Å; Y1345-L1400 HydrophobicContact CE1-CD2 4.16Å; Y1345-L1400 HydrophobicContact CE1-CG 4.09Å; Y1345-L1400 WeakPolarHBondContact OH-CD1 3.2Å; A1396-L1400 WeakPolarHBondContact O-CB 3.46Å; A1396-L1400 WeakPolarHBondContact O-CD1 3.45Å; A1396-L1400 PolarHBondContact O-N 3.45Å |
| 1401 | T | 53.5 | Low | 61.1 | Low | 38 Ų | 38 | 67.6 Ų | 67.6 | 23% | 0.233 | 36% | 0.357 | C | S | . | . | trans | -127.9 | 113.3 | -175.7 | 65.7 | 0 | 0 | 0 | 0 | 112.6 | I1397 Q1398 N1399 L1403 | I1397-T1401 PolarHBondContact O-N 3.29Å; I1397-T1401 VanDerWaalsContact O-N 3.16Å; I1397-T1401 PolarHBondContact O-OG1 3.37Å; Q1398-T1401 VanDerWaalsContact O-O 3.06Å; N1399-T1401 PolarHBondContact O-N 2.89Å; T1401-L1403 HydrophobicContact CG2-CD1 4.08Å; T1401-L1403 PolarHBondContact O-N 3.25Å | ||
| 1402 | G | 51.9 | Low | 60.2 | Low | 66 Ų | 66 | 66.8 Ų | 66.8 | 68% | 0.68 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -63.7 | 13.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1404 | G1402-S1404 PolarHBondContact O-N 3.47Š|
| 1403 | L | 50.9 | Low | 59.8 | Low | 30 Ų | 30 | 70.1 Ų | 70.1 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -76.2 | 1.3 | 174.9 | -81.9 | 126.9 | 0 | 0 | 0 | 113.1 | L1114 T1401 Y1405 L1406 T1407 | L1114-L1403 HydrophobicContact CD2-CD2 4.27Å; T1401-L1403 HydrophobicContact CG2-CD1 4.08Å; T1401-L1403 PolarHBondContact O-N 3.25Å; L1403-Y1405 PolarHBondContact O-N 3.07Å; L1403-Y1405 VanDerWaalsContact O-N 3.11Å; L1403-L1406 HydrophobicContact CD2-CB 4.12Å; L1403-L1406 PolarHBondContact O-N 2.79Å; L1403-T1407 HydrophobicContact CB-CG2 4.32Å; L1403-T1407 HydrophobicContact CD2-CG2 3.87Å; L1403-T1407 PolarHBondContact O-N 2.94Å; L1403-T1407 PolarHBondContact O-OG1 3.26Å |
| 1404 | S | 51.1 | Low | 59.3 | Low | 73 Ų | 73 | 72.1 Ų | 72.1 | 51% | 0.51 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -56.3 | -20.7 | 168.8 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | G1402 | G1402-S1404 PolarHBondContact O-N 3.47Š|
| 1405 | Y | 49.1 | Very low | 58.9 | Low | 217 Ų | 217 | 72.3 Ų | 72.3 | 85% | 0.851 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -90.8 | -6 | 171.9 | -71.6 | -83.3 | 0 | 0 | 0 | 114.9 | L1403 | L1403-Y1405 PolarHBondContact O-N 3.07Å; L1403-Y1405 VanDerWaalsContact O-N 3.11Å |
| 1406 | L | 44.1 | Very low | 58.8 | Low | 73 Ų | 73 | 68.5 Ų | 68.5 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | -23.5 | -166.2 | -75.4 | 168.3 | 0 | 0 | 0 | 115 | L1323 I1327 L1403 | L1323-L1406 HydrophobicContact CD1-CD2 4.23Å; I1327-L1406 HydrophobicContact CD1-CD1 3.9Å; I1327-L1406 HydrophobicContact CD1-CD2 4.24Å; I1327-L1406 HydrophobicContact CD1-CG 4.47Å; I1327-L1406 HydrophobicContact CG1-CD1 4.42Å; L1403-L1406 HydrophobicContact CD2-CB 4.12Å; L1403-L1406 PolarHBondContact O-N 2.79Å |
| 1407 | T | 48.9 | Very low | 59 | Low | 38 Ų | 38 | 70.1 Ų | 70.1 | 23% | 0.233 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -107.8 | 140.8 | 176.7 | 46.4 | 0 | 0 | 0 | 0 | 110.8 | L1403 V1412 | L1403-T1407 HydrophobicContact CB-CG2 4.32Å; L1403-T1407 HydrophobicContact CD2-CG2 3.87Å; L1403-T1407 PolarHBondContact O-N 2.94Å; L1403-T1407 PolarHBondContact O-OG1 3.26Å; T1407-V1412 WeakPolarHBondContact OG1-CG2 3.43Å |
| 1408 | D | 57.8 | Low | 59.1 | Low | 80 Ų | 80 | 72.7 Ų | 72.7 | 43% | 0.428 | 38% | 0.377 | S | S | . | . | trans | -68.4 | 131.1 | 176.4 | -144 | -42.7 | 0 | 0 | 0 | 109.8 | E1410 M1411 V1412 | D1408-E1410 VanDerWaalsContact C-N 3.29Å; D1408-E1410 PolarHBondContact O-N 3.36Å; D1408-M1411 HydrophobicContact CB-CB 4.26Å; D1408-M1411 HydrophobicContact CB-CG 4.1Å; D1408-M1411 WeakPolarHBondContact O-CB 3.13Å; D1408-M1411 PolarHBondContact O-N 3.3Å; D1408-V1412 PolarHBondContact O-N 3.34Å; D1408-V1412 VanDerWaalsContact O-N 3.11Å | ||
| 1409 | I | 62.1 | Low | 59.4 | Low | 113 Ų | 113 | 70.5 Ų | 70.5 | 58% | 0.579 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | -167.4 | -61.2 | 175.1 | 0 | 0 | 0 | 110.4 | M1411 V1412 H1413 | I1409-M1411 VanDerWaalsContact C-N 3.3Å; I1409-M1411 PolarHBondContact O-N 3.38Å; I1409-V1412 PolarHBondContact O-N 3.5Å; I1409-H1413 WeakPolarHBondContact O-CB 3.43Å; I1409-H1413 PolarHBondContact O-N 3.44Å |
| 1410 | E | 63.5 | Low | 60.2 | Low | 159 Ų | 159 | 65.3 Ų | 65.3 | 74% | 0.743 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.8 | -37.3 | 176 | -59.8 | -177 | -180 | 0 | 0 | 112 | D1408 H1413 D1414 | D1408-E1410 VanDerWaalsContact C-N 3.29Å; D1408-E1410 PolarHBondContact O-N 3.36Å; E1410-H1413 PolarHBondContact O-N 2.82Å; E1410-D1414 PolarHBondContact O-N 3.09Å |
| 1411 | M | 57.4 | Low | 61 | Low | 48 Ų | 48 | 63.7 Ų | 63.7 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72 | -33.7 | 177.6 | -71.1 | -68 | -60.7 | 0 | 0 | 112.2 | S1117 L1121 D1408 I1409 H1415 | S1117-M1411 WeakPolarHBondContact O-CE 3.23Å; L1121-M1411 HydrophobicContact CB-CE 3.87Å; L1121-M1411 HydrophobicContact CD1-CE 4.01Å; L1121-M1411 HydrophobicContact CD1-CG 4.19Å; L1121-M1411 HydrophobicContact CD1-SD 3.91Å; L1121-M1411 HydrophobicContact CG-CE 4.4Å; D1408-M1411 HydrophobicContact CB-CB 4.26Å; D1408-M1411 HydrophobicContact CB-CG 4.1Å; D1408-M1411 WeakPolarHBondContact O-CB 3.13Å; D1408-M1411 PolarHBondContact O-N 3.3Å; I1409-M1411 VanDerWaalsContact C-N 3.3Å; I1409-M1411 PolarHBondContact O-N 3.38Å; M1411-H1415 PolarHBondContact O-N 3.23Å; M1411-H1415 PolarHBondContact O-ND1 3.4Å |
| 1412 | V | 59.6 | Low | 62 | Low | 30 Ų | 30 | 62.1 Ų | 62.1 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | I1397 T1407 D1408 I1409 H1415 V1416 | I1397-V1412 HydrophobicContact CG2-CG1 4.32Å; T1407-V1412 WeakPolarHBondContact OG1-CG2 3.43Å; D1408-V1412 PolarHBondContact O-N 3.34Å; D1408-V1412 VanDerWaalsContact O-N 3.11Å; I1409-V1412 PolarHBondContact O-N 3.5Å; V1412-H1415 PolarHBondContact O-N 3.36Å; V1412-V1416 HydrophobicContact CG1-CG2 4.14Å; V1412-V1416 WeakPolarHBondContact O-CB 3.39Å; V1412-V1416 VanDerWaalsContact O-CG2 3.31Å; V1412-V1416 WeakPolarHBondContact O-CG2 3.39Å; V1412-V1416 PolarHBondContact O-N 3.09Å |
| 1413 | H | 67 | Low | 63.3 | Low | 72 Ų | 72 | 60 Ų | 60 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.8 | -50.2 | -179.7 | -166.8 | 92.2 | 0 | 0 | 0 | 112.3 | R1390 E1394 I1409 E1410 H1415 V1416 D1417 | R1390-H1413 PolarHBondContact NH1-CE1 2.96Å; E1394-H1413 IonicContact OE1-CE1 2.87Å; E1394-H1413 IonicContact OE1-CG 3.88Å; E1394-H1413 IonicContact OE1-ND1 2.67Å; E1394-H1413 PolarHBondContact OE1-ND1 3.1Å; E1394-H1413 IonicContact OE2-CE1 3.79Å; E1394-H1413 IonicContact OE2-ND1 3.03Å; E1394-H1413 PolarHBondContact OE2-ND1 2.94Å; I1409-H1413 WeakPolarHBondContact O-CB 3.43Å; I1409-H1413 PolarHBondContact O-N 3.44Å; E1410-H1413 PolarHBondContact O-N 2.82Å; H1413-H1415 PolarHBondContact O-N 3.26Å; H1413-V1416 PolarHBondContact O-N 3Å; H1413-D1417 WeakPolarHBondContact O-CB 3.33Å; H1413-D1417 PolarHBondContact O-N 3.42Å |
| 1414 | D | 64.3 | Low | 64.8 | Low | 61 Ų | 61 | 60.1 Ų | 60.1 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 177.1 | 172.7 | 50 | 0 | 0 | 0 | 112.9 | E1410 D1417 R1418 | E1410-D1414 PolarHBondContact O-N 3.09Å; D1414-D1417 PolarHBondContact O-N 3.38Å; D1414-R1418 WeakPolarHBondContact O-CB 3.47Å; D1414-R1418 WeakPolarHBondContact O-CG 3.34Å; D1414-R1418 PolarHBondContact O-N 3.31Å; D1414-R1418 IonicContact OD1-CZ 3.54Å; D1414-R1418 IonicContact OD1-NE 2.63Å; D1414-R1418 PolarHBondContact OD1-NE 2.91Å; D1414-R1418 IonicContact OD1-NH2 3.07Å; D1414-R1418 PolarHBondContact OD1-NH2 2.83Å; D1414-R1418 IonicContact OD2-CZ 2.64Å; D1414-R1418 IonicContact OD2-NE 3.67Å; D1414-R1418 PolarHBondContact OD2-NE 3.03Å; D1414-R1418 IonicContact OD2-NH2 3.91Å; D1414-R1418 PolarHBondContact OD2-NH2 3.01Å |
| 1415 | H | 63.5 | Low | 66 | Low | 30 Ų | 30 | 58.2 Ų | 58.2 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 176 | -71.8 | 108.9 | 0 | 0 | 0 | 113 | S1117 M1411 V1412 H1413 R1418 I1419 | S1117-H1415 VanDerWaalsContact CA-CE1 3.48Å; S1117-H1415 WeakPolarHBondContact CA-CE1 3.46Å; M1411-H1415 PolarHBondContact O-N 3.23Å; M1411-H1415 PolarHBondContact O-ND1 3.4Å; V1412-H1415 PolarHBondContact O-N 3.36Å; H1413-H1415 PolarHBondContact O-N 3.26Å; H1415-R1418 PolarHBondContact O-N 3.09Å; H1415-I1419 WeakPolarHBondContact O-CG1 3.29Å; H1415-I1419 PolarHBondContact O-N 3.46Å |
| 1416 | V | 69.9 | Low | 67.5 | Low | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 171.5 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | I1393 E1394 I1397 V1412 H1413 R1418 I1419 F1420 | I1393-V1416 HydrophobicContact CG2-CG1 3.97Å; E1394-V1416 HydrophobicContact CB-CG1 4.15Å; I1397-V1416 HydrophobicContact CD1-CG2 3.8Å; V1412-V1416 HydrophobicContact CG1-CG2 4.14Å; V1412-V1416 WeakPolarHBondContact O-CB 3.39Å; V1412-V1416 VanDerWaalsContact O-CG2 3.31Å; V1412-V1416 WeakPolarHBondContact O-CG2 3.39Å; V1412-V1416 PolarHBondContact O-N 3.09Å; H1413-V1416 PolarHBondContact O-N 3Å; V1416-R1418 VanDerWaalsContact C-N 3.34Å; V1416-R1418 PolarHBondContact O-N 3.16Å; V1416-I1419 PolarHBondContact O-N 2.83Å; V1416-F1420 WeakPolarHBondContact O-CB 3.28Å; V1416-F1420 PolarHBondContact O-N 3.23Å |
| 1417 | D | 72.2 | Confident | 69.2 | Low | 41 Ų | 41 | 49.8 Ų | 49.8 | 22% | 0.219 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -35.8 | 178.5 | -101.3 | 46.6 | 0 | 0 | 0 | 112.4 | R1390 H1413 D1414 N1421 | R1390-D1417 VanDerWaalsContact CD-OD1 3.25Å; R1390-D1417 WeakPolarHBondContact CD-OD1 3.44Å; R1390-D1417 IonicContact CZ-OD1 2.95Å; R1390-D1417 IonicContact NE-OD1 2.9Å; R1390-D1417 IonicContact NH1-OD1 3.18Å; R1390-D1417 PolarHBondContact NH1-OD1 2.92Å; H1413-D1417 WeakPolarHBondContact O-CB 3.33Å; H1413-D1417 PolarHBondContact O-N 3.42Å; D1414-D1417 PolarHBondContact O-N 3.38Å; D1417-N1421 WeakPolarHBondContact O-CB 3.39Å; D1417-N1421 VanDerWaalsContact O-CG 3.26Å; D1417-N1421 PolarHBondContact O-N 3.4Å; D1417-N1421 PolarHBondContact O-ND2 3Å |
| 1418 | R | 68.1 | Low | 70.7 | Confident | 111 Ų | 111 | 48.3 Ų | 48.3 | 42% | 0.419 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.2 | -51.5 | 172.1 | -73.4 | 167.9 | -166.2 | -142.5 | 8.9 | 111.7 | L143 D1414 H1415 V1416 N1421 C1422 | L143-R1418 HydrophobicContact CD2-CB 4.2Å; D1414-R1418 WeakPolarHBondContact O-CB 3.47Å; D1414-R1418 WeakPolarHBondContact O-CG 3.34Å; D1414-R1418 PolarHBondContact O-N 3.31Å; D1414-R1418 IonicContact OD1-CZ 3.54Å; D1414-R1418 IonicContact OD1-NE 2.63Å; D1414-R1418 PolarHBondContact OD1-NE 2.91Å; D1414-R1418 IonicContact OD1-NH2 3.07Å; D1414-R1418 PolarHBondContact OD1-NH2 2.83Å; D1414-R1418 IonicContact OD2-CZ 2.64Å; D1414-R1418 IonicContact OD2-NE 3.67Å; D1414-R1418 PolarHBondContact OD2-NE 3.03Å; D1414-R1418 IonicContact OD2-NH2 3.91Å; D1414-R1418 PolarHBondContact OD2-NH2 3.01Å; H1415-R1418 PolarHBondContact O-N 3.09Å; V1416-R1418 VanDerWaalsContact C-N 3.34Å; V1416-R1418 PolarHBondContact O-N 3.16Å; R1418-N1421 PolarHBondContact O-N 3.49Å; R1418-C1422 PolarHBondContact O-N 2.74Å; R1418-C1422 PolarHBondContact O-SG 2.87Å |
| 1419 | I | 73.1 | Confident | 72 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 178.5 | -65.2 | 164.3 | 0 | 0 | 0 | 110.3 | I139 F1113 H1415 V1416 N1421 C1422 L1423 | I139-I1419 HydrophobicContact CD1-CG2 4.3Å; F1113-I1419 HydrophobicContact CD1-CD1 4.32Å; F1113-I1419 HydrophobicContact CE1-CD1 3.81Å; F1113-I1419 HydrophobicContact CE1-CG1 4.26Å; H1415-I1419 WeakPolarHBondContact O-CG1 3.29Å; H1415-I1419 PolarHBondContact O-N 3.46Å; V1416-I1419 PolarHBondContact O-N 2.83Å; I1419-N1421 PolarHBondContact O-N 2.77Å; I1419-C1422 VanDerWaalsContact O-CB 3.31Å; I1419-C1422 WeakPolarHBondContact O-CB 3.4Å; I1419-C1422 PolarHBondContact O-N 2.97Å; I1419-C1422 VanDerWaalsContact O-N 3.13Å; I1419-L1423 HydrophobicContact CG2-CD1 4.49Å; I1419-L1423 PolarHBondContact O-N 3.49Å; I1419-L1423 VanDerWaalsContact O-N 3.17Å |
| 1420 | F | 79.2 | Confident | 73.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | -178.7 | -177.3 | -114.9 | 0 | 0 | 0 | 112.4 | N318 I321 K1386 A1389 R1390 I1393 V1416 C1422 L1423 Q1424 | N318-F1420 WeakPolarHBondContact OD1-CE2 3.45Å; I321-F1420 HydrophobicContact CD1-CE2 4.42Å; K1386-F1420 HydrophobicContact CD-CE1 4.13Å; K1386-F1420 HydrophobicContact CG-CE1 3.55Å; K1386-F1420 HydrophobicContact CG-CZ 3.61Å; K1386-F1420 WeakPolarHBondContact O-CZ 3.49Å; A1389-F1420 HydrophobicContact CB-CE2 4.01Å; A1389-F1420 HydrophobicContact CB-CZ 4.14Å; R1390-F1420 HydrophobicContact CB-CD1 3.8Å; R1390-F1420 HydrophobicContact CB-CE1 3.47Å; R1390-F1420 VanDerWaalsContact CB-CE1 3.47Å; R1390-F1420 HydrophobicContact CB-CE2 4.48Å; R1390-F1420 HydrophobicContact CB-CG 4.38Å; R1390-F1420 HydrophobicContact CB-CZ 3.87Å; R1390-F1420 HydrophobicContact CG-CD1 3.49Å; R1390-F1420 VanDerWaalsContact CG-CD1 3.49Å; R1390-F1420 HydrophobicContact CG-CE1 3.69Å; R1390-F1420 HydrophobicContact CG-CG 4.09Å; R1390-F1420 HydrophobicContact CG-CZ 4.48Å; I1393-F1420 HydrophobicContact CD1-CD2 3.77Å; I1393-F1420 HydrophobicContact CD1-CE2 4.28Å; V1416-F1420 WeakPolarHBondContact O-CB 3.28Å; V1416-F1420 PolarHBondContact O-N 3.23Å; F1420-C1422 VanDerWaalsContact C-N 3.32Å; F1420-C1422 PolarHBondContact O-N 2.75Å; F1420-L1423 PolarHBondContact O-N 3.11Å; F1420-Q1424 VanDerWaalsContact CE2-NE2 3.29Å; F1420-Q1424 VanDerWaalsContact CZ-NE2 3.34Å; F1420-Q1424 WeakPolarHBondContact O-CG 3.49Å; F1420-Q1424 PolarHBondContact O-N 2.82Å; F1420-Q1424 PolarHBondContact O-NE2 2.89Å |
| 1421 | N | 73.8 | Confident | 74.2 | Confident | 22 Ų | 22 | 32.9 Ų | 32.9 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -36.3 | 173.2 | -78.9 | -58.3 | 0 | 0 | 0 | 111.8 | L176 K1386 D1417 R1418 I1419 L1423 Q1424 Y1425 | L176-N1421 HydrophobicContact CD1-CB 4.39Å; K1386-N1421 PolarHBondContact NZ-OD1 3.28Å; D1417-N1421 WeakPolarHBondContact O-CB 3.39Å; D1417-N1421 VanDerWaalsContact O-CG 3.26Å; D1417-N1421 PolarHBondContact O-N 3.4Å; D1417-N1421 PolarHBondContact O-ND2 3Å; R1418-N1421 PolarHBondContact O-N 3.49Å; I1419-N1421 PolarHBondContact O-N 2.77Å; N1421-L1423 VanDerWaalsContact C-N 3.31Å; N1421-L1423 PolarHBondContact O-N 2.93Å; N1421-Q1424 PolarHBondContact O-N 3.25Å; N1421-Q1424 VanDerWaalsContact O-N 3.16Å; N1421-Y1425 WeakPolarHBondContact O-CD2 3.34Å; N1421-Y1425 WeakPolarHBondContact O-CE2 3.47Å |
| 1422 | C | 74.7 | Confident | 75.4 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 172.2 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | I142 R1418 I1419 F1420 Q1424 Y1425 | I142-C1422 HydrophobicContact CG2-CB 4.35Å; I142-C1422 VanDerWaalsContact CG2-SG 3.54Å; R1418-C1422 PolarHBondContact O-N 2.74Å; R1418-C1422 PolarHBondContact O-SG 2.87Å; I1419-C1422 VanDerWaalsContact O-CB 3.31Å; I1419-C1422 WeakPolarHBondContact O-CB 3.4Å; I1419-C1422 PolarHBondContact O-N 2.97Å; I1419-C1422 VanDerWaalsContact O-N 3.13Å; F1420-C1422 VanDerWaalsContact C-N 3.32Å; F1420-C1422 PolarHBondContact O-N 2.75Å; C1422-Q1424 PolarHBondContact O-N 2.72Å; C1422-Y1425 PolarHBondContact O-N 3.32Å |
| 1423 | L | 78.6 | Confident | 76.7 | Confident | 22 Ų | 22 | 31.1 Ų | 31.1 | 12% | 0.115 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -9.4 | 178.5 | -64.9 | 172.8 | 0 | 0 | 0 | 114.5 | F135 I321 I1419 F1420 N1421 N1429 | F135-L1423 HydrophobicContact CE2-CD2 4.13Å; F135-L1423 HydrophobicContact CZ-CD2 4.34Å; I321-L1423 HydrophobicContact CD1-CD1 4.47Å; I1419-L1423 HydrophobicContact CG2-CD1 4.49Å; I1419-L1423 PolarHBondContact O-N 3.49Å; I1419-L1423 VanDerWaalsContact O-N 3.17Å; F1420-L1423 PolarHBondContact O-N 3.11Å; N1421-L1423 VanDerWaalsContact C-N 3.31Å; N1421-L1423 PolarHBondContact O-N 2.93Å; L1423-N1429 PolarHBondContact O-ND2 3.47Å; L1423-N1429 PolarHBondContact O-OD1 2.81Å |
| 1424 | Q | 82 | Confident | 77.6 | Confident | 31 Ų | 31 | 27.7 Ų | 27.7 | 15% | 0.145 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -14.8 | 174.4 | -57.9 | -51.6 | -75.6 | 0 | 0 | 113.7 | N318 K1386 F1420 N1421 C1422 S1426 | N318-Q1424 PolarHBondContact ND2-OE1 2.99Å; N318-Q1424 PolarHBondContact OD1-NE2 3.25Å; K1386-Q1424 HydrophobicContact CD-CG 4.32Å; F1420-Q1424 VanDerWaalsContact CE2-NE2 3.29Å; F1420-Q1424 VanDerWaalsContact CZ-NE2 3.34Å; F1420-Q1424 WeakPolarHBondContact O-CG 3.49Å; F1420-Q1424 PolarHBondContact O-N 2.82Å; F1420-Q1424 PolarHBondContact O-NE2 2.89Å; N1421-Q1424 PolarHBondContact O-N 3.25Å; N1421-Q1424 VanDerWaalsContact O-N 3.16Å; C1422-Q1424 PolarHBondContact O-N 2.72Å; Q1424-S1426 PolarHBondContact O-N 3.43Å |
| 1425 | Y | 77.7 | Confident | 78.5 | Confident | 33 Ų | 33 | 25.9 Ų | 25.9 | 13% | 0.129 | 13% | 0.126 | C | C | . | . | trans | -87.8 | 104 | -176.7 | -67.9 | -78.7 | 0 | 0 | 0 | 111.2 | L176 E181 N1421 C1422 K1427 L1428 N1429 | L176-Y1425 HydrophobicContact CB-CE2 3.95Å; L176-Y1425 VanDerWaalsContact CB-OH 3.29Å; L176-Y1425 WeakPolarHBondContact CB-OH 3.49Å; L176-Y1425 HydrophobicContact CD1-CE2 4.04Å; L176-Y1425 PolarHBondContact O-OH 3.38Å; E181-Y1425 HydrophobicContact CG-CD1 4.41Å; N1421-Y1425 WeakPolarHBondContact O-CD2 3.34Å; N1421-Y1425 WeakPolarHBondContact O-CE2 3.47Å; C1422-Y1425 PolarHBondContact O-N 3.32Å; Y1425-K1427 VanDerWaalsContact C-N 3.29Å; Y1425-K1427 PolarHBondContact O-N 3.44Å; Y1425-L1428 HydrophobicContact CD2-CD1 4.32Å; Y1425-L1428 HydrophobicContact CG-CD1 4.24Å; Y1425-L1428 PolarHBondContact O-N 2.98Å; Y1425-N1429 PolarHBondContact O-N 3.37Å | ||
| 1426 | S | 80.5 | Confident | 79.4 | Confident | 51 Ų | 51 | 25.6 Ų | 25.6 | 36% | 0.357 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -59.7 | -34.8 | -174.8 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | A312 Q1424 L1428 N1429 K1430 | A312-S1426 VanDerWaalsContact O-CA 3.22Å; A312-S1426 WeakPolarHBondContact O-CA 3.45Å; A312-S1426 VanDerWaalsContact O-CB 3.23Å; A312-S1426 WeakPolarHBondContact O-CB 3.33Å; Q1424-S1426 PolarHBondContact O-N 3.43Å; S1426-L1428 VanDerWaalsContact C-N 3.33Å; S1426-L1428 PolarHBondContact O-N 3.16Å; S1426-N1429 PolarHBondContact O-N 2.89Å; S1426-K1430 VanDerWaalsContact O-CB 3.29Å; S1426-K1430 WeakPolarHBondContact O-CB 3.3Å; S1426-K1430 PolarHBondContact O-N 3.27Å |
| 1427 | K | 79.5 | Confident | 80.1 | Confident | 63 Ų | 63 | 26.8 Ų | 26.8 | 27% | 0.274 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -64.4 | -34.4 | 174.5 | -67.3 | 176.9 | -176.2 | 153.9 | 0 | 112.9 | E181 E182 L185 Y1425 K1430 Q1431 | E181-K1427 HydrophobicContact CB-CD 4.04Å; E181-K1427 WeakPolarHBondContact OE2-CD 3.35Å; E181-K1427 WeakPolarHBondContact OE2-CE 3.3Å; E181-K1427 IonicContact OE2-NZ 2.89Å; E181-K1427 PolarHBondContact OE2-NZ 3.04Å; E182-K1427 IonicContact OE1-NZ 3.01Å; E182-K1427 PolarHBondContact OE1-NZ 3.22Å; L185-K1427 HydrophobicContact CD1-CB 4.09Å; L185-K1427 HydrophobicContact CD1-CD 3.83Å; L185-K1427 HydrophobicContact CD1-CG 4.48Å; Y1425-K1427 VanDerWaalsContact C-N 3.29Å; Y1425-K1427 PolarHBondContact O-N 3.44Å; K1427-K1430 WeakPolarHBondContact O-CB 3.42Å; K1427-K1430 PolarHBondContact O-N 3Å; K1427-Q1431 PolarHBondContact O-N 3.18Å; K1427-Q1431 VanDerWaalsContact O-N 3.12Å |
| 1428 | L | 80.5 | Confident | 80.7 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -76.2 | -41.7 | 175.8 | -59.2 | -179.5 | 0 | 0 | 0 | 110.7 | H138 I142 I184 L185 F188 Y1425 S1426 K1430 Q1431 L1432 | H138-L1428 PolarHBondContact CE1-O 3.32Å; H138-L1428 PolarHBondContact NE2-O 3.45Å; I142-L1428 HydrophobicContact CD1-CB 4.28Å; I142-L1428 HydrophobicContact CD1-CD1 3.84Å; I142-L1428 HydrophobicContact CD1-CG 4.46Å; I142-L1428 HydrophobicContact CG1-CD1 4.18Å; I142-L1428 HydrophobicContact CG2-CD1 4.33Å; I184-L1428 HydrophobicContact CG2-CD1 4.42Å; I184-L1428 HydrophobicContact CG2-CD2 4.2Å; L185-L1428 HydrophobicContact CD2-CD2 4.06Å; F188-L1428 HydrophobicContact CE2-CD2 3.97Å; Y1425-L1428 HydrophobicContact CD2-CD1 4.32Å; Y1425-L1428 HydrophobicContact CG-CD1 4.24Å; Y1425-L1428 PolarHBondContact O-N 2.98Å; S1426-L1428 VanDerWaalsContact C-N 3.33Å; S1426-L1428 PolarHBondContact O-N 3.16Å; L1428-K1430 PolarHBondContact O-N 3.49Å; L1428-Q1431 WeakPolarHBondContact O-CB 3.27Å; L1428-Q1431 PolarHBondContact O-N 2.98Å; L1428-L1432 PolarHBondContact O-N 3.04Å |
| 1429 | N | 85 | Confident | 81.2 | Confident | 6 Ų | 6 | 20.4 Ų | 20.4 | 3% | 0.032 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.1 | -35.4 | 170.3 | -63 | -15.6 | 0 | 0 | 0 | 111.4 | A312 L1423 Y1425 S1426 T1433 | A312-N1429 HydrophobicContact CB-CB 4.46Å; A312-N1429 WeakPolarHBondContact O-CB 3.28Å; A312-N1429 PolarHBondContact O-ND2 3.39Å; L1423-N1429 PolarHBondContact O-ND2 3.47Å; L1423-N1429 PolarHBondContact O-OD1 2.81Å; Y1425-N1429 PolarHBondContact O-N 3.37Å; S1426-N1429 PolarHBondContact O-N 2.89Å; N1429-T1433 WeakPolarHBondContact O-CB 3.27Å; N1429-T1433 PolarHBondContact O-N 3.02Å; N1429-T1433 PolarHBondContact O-OG1 2.83Å |
| 1430 | K | 86.2 | Confident | 81.5 | Confident | 21 Ų | 21 | 22.5 Ų | 22.5 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.8 | -41.8 | 176.6 | -163.3 | 161.6 | -179.7 | 173.4 | 0 | 112.9 | L196 E202 D309 A312 S1426 K1427 L1428 T1433 Y1434 | L196-K1430 HydrophobicContact CD2-CB 4.34Å; L196-K1430 HydrophobicContact CD2-CD 4.15Å; L196-K1430 HydrophobicContact CD2-CG 4.14Å; E202-K1430 WeakPolarHBondContact OE1-CE 3.4Å; E202-K1430 IonicContact OE1-NZ 3.45Å; E202-K1430 PolarHBondContact OE1-NZ 3.46Å; E202-K1430 IonicContact OE2-NZ 3.62Å; E202-K1430 PolarHBondContact OE2-NZ 3.34Å; D309-K1430 IonicContact OD1-NZ 3.58Å; D309-K1430 PolarHBondContact OD1-NZ 2.99Å; A312-K1430 HydrophobicContact CB-CB 3.72Å; A312-K1430 HydrophobicContact CB-CD 4.34Å; A312-K1430 HydrophobicContact CB-CG 4.15Å; S1426-K1430 VanDerWaalsContact O-CB 3.29Å; S1426-K1430 WeakPolarHBondContact O-CB 3.3Å; S1426-K1430 PolarHBondContact O-N 3.27Å; K1427-K1430 WeakPolarHBondContact O-CB 3.42Å; K1427-K1430 PolarHBondContact O-N 3Å; L1428-K1430 PolarHBondContact O-N 3.49Å; K1430-T1433 PolarHBondContact O-N 2.85Å; K1430-Y1434 HydrophobicContact CD-CE2 4.49Å; K1430-Y1434 HydrophobicContact CG-CD2 3.99Å; K1430-Y1434 HydrophobicContact CG-CE2 3.87Å; K1430-Y1434 WeakPolarHBondContact O-CD2 3.19Å; K1430-Y1434 PolarHBondContact O-N 3.42Å |
| 1431 | Q | 85.1 | Confident | 81.6 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.7 | -51.8 | 172.5 | 168.1 | 70.6 | -6.4 | 0 | 0 | 110.4 | R191 L196 K1427 L1428 T1433 Y1434 I1435 | R191-Q1431 PolarHBondContact O-NE2 2.63Å; L196-Q1431 VanDerWaalsContact CD1-CA 3.48Å; L196-Q1431 HydrophobicContact CD1-CB 3.57Å; L196-Q1431 HydrophobicContact CD1-CG 4.49Å; K1427-Q1431 PolarHBondContact O-N 3.18Å; K1427-Q1431 VanDerWaalsContact O-N 3.12Å; L1428-Q1431 WeakPolarHBondContact O-CB 3.27Å; L1428-Q1431 PolarHBondContact O-N 2.98Å; Q1431-T1433 PolarHBondContact O-N 2.88Å; Q1431-Y1434 PolarHBondContact O-N 2.72Å; Q1431-I1435 HydrophobicContact CG-CD1 4.06Å; Q1431-I1435 WeakPolarHBondContact O-CG1 3.42Å; Q1431-I1435 PolarHBondContact O-N 3.4Å |
| 1432 | L | 83.9 | Confident | 81.8 | Confident | 14 Ų | 14 | 23.2 Ų | 23.2 | 7% | 0.073 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.4 | -48.7 | 174 | 175.1 | 62.9 | 0 | 0 | 0 | 112.2 | F135 H138 L1428 Y1434 I1435 L1436 | F135-L1432 HydrophobicContact CD2-CD1 4.31Å; F135-L1432 HydrophobicContact CD2-CD2 3.72Å; F135-L1432 HydrophobicContact CE2-CD2 4.05Å; H138-L1432 HydrophobicContact CB-CD1 4.34Å; L1428-L1432 PolarHBondContact O-N 3.04Å; L1432-Y1434 VanDerWaalsContact C-N 3.33Å; L1432-Y1434 PolarHBondContact O-N 2.86Å; L1432-I1435 PolarHBondContact O-N 2.88Å; L1432-I1435 VanDerWaalsContact O-N 3.17Å; L1432-L1436 HydrophobicContact CD1-CD1 3.74Å; L1432-L1436 HydrophobicContact CD1-CG 4.01Å; L1432-L1436 HydrophobicContact CG-CD1 3.83Å; L1432-L1436 HydrophobicContact CG-CG 4.46Å; L1432-L1436 WeakPolarHBondContact O-CB 3.49Å; L1432-L1436 VanDerWaalsContact O-CG 3.3Å; L1432-L1436 WeakPolarHBondContact O-CG 3.21Å; L1432-L1436 PolarHBondContact O-N 2.85Å |
| 1433 | T | 85.4 | Confident | 81.8 | Confident | 26 Ų | 26 | 25.5 Ų | 25.5 | 16% | 0.16 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | -178.4 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | M308 L311 N1429 K1430 Q1431 L1436 L1437 | M308-T1433 HydrophobicContact CE-CG2 3.47Å; M308-T1433 VanDerWaalsContact CE-CG2 3.47Å; M308-T1433 HydrophobicContact SD-CG2 3.88Å; L311-T1433 HydrophobicContact CB-CG2 3.96Å; L311-T1433 HydrophobicContact CD1-CG2 4Å; N1429-T1433 WeakPolarHBondContact O-CB 3.27Å; N1429-T1433 PolarHBondContact O-N 3.02Å; N1429-T1433 PolarHBondContact O-OG1 2.83Å; K1430-T1433 PolarHBondContact O-N 2.85Å; Q1431-T1433 PolarHBondContact O-N 2.88Å; T1433-L1436 PolarHBondContact O-N 3.42Å; T1433-L1437 WeakPolarHBondContact O-CB 3.48Å; T1433-L1437 PolarHBondContact O-N 3.08Å |
| 1434 | Y | 85.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.3 | -37.2 | 174.7 | -85.2 | -69.4 | 0 | 0 | 0 | 113.4 | H193 A195 E202 Y205 L206 M308 K1430 Q1431 L1432 L1436 L1437 D1438 | H193-Y1434 AromaticContact CE1-CD1 3.83Å; H193-Y1434 WeakPolarHBondContact ND1-CB 3.24Å; H193-Y1434 AromaticContact ND1-CD1 3.98Å; H193-Y1434 AromaticContact ND1-CG 3.73Å; A195-Y1434 HydrophobicContact CB-CD1 3.77Å; A195-Y1434 HydrophobicContact CB-CD2 3.89Å; A195-Y1434 HydrophobicContact CB-CE1 3.71Å; A195-Y1434 HydrophobicContact CB-CE2 3.84Å; A195-Y1434 HydrophobicContact CB-CG 3.9Å; E202-Y1434 HydrophobicContact CG-CE2 4.23Å; E202-Y1434 WeakPolarHBondContact CG-OH 3.43Å; E202-Y1434 PolarHBondContact OE1-OH 2.91Å; Y205-Y1434 HydrophobicContact CD1-CD1 4Å; Y205-Y1434 AromaticContact CD1-CE1 3.65Å; Y205-Y1434 HydrophobicContact CD1-CE1 3.65Å; Y205-Y1434 AromaticContact CE1-CD1 3.53Å; Y205-Y1434 HydrophobicContact CE1-CD1 3.53Å; Y205-Y1434 AromaticContact CE1-CE1 3.49Å; Y205-Y1434 HydrophobicContact CE1-CE1 3.49Å; Y205-Y1434 VanDerWaalsContact CE1-CE1 3.49Å; L206-Y1434 HydrophobicContact CD2-CE1 4.09Å; M308-Y1434 HydrophobicContact CE-CD1 3.72Å; M308-Y1434 HydrophobicContact CE-CD2 3.78Å; M308-Y1434 HydrophobicContact CE-CE1 3.65Å; M308-Y1434 HydrophobicContact CE-CE2 3.7Å; M308-Y1434 HydrophobicContact CE-CG 3.76Å; M308-Y1434 HydrophobicContact CG-CE1 4.44Å; K1430-Y1434 HydrophobicContact CD-CE2 4.49Å; K1430-Y1434 HydrophobicContact CG-CD2 3.99Å; K1430-Y1434 HydrophobicContact CG-CE2 3.87Å; K1430-Y1434 WeakPolarHBondContact O-CD2 3.19Å; K1430-Y1434 PolarHBondContact O-N 3.42Å; Q1431-Y1434 PolarHBondContact O-N 2.72Å; L1432-Y1434 VanDerWaalsContact C-N 3.33Å; L1432-Y1434 PolarHBondContact O-N 2.86Å; Y1434-L1436 VanDerWaalsContact C-N 3.31Å; Y1434-L1436 PolarHBondContact O-N 3.47Å; Y1434-L1437 HydrophobicContact CD1-CD2 4.19Å; Y1434-L1437 HydrophobicContact CE1-CD2 4.27Å; Y1434-L1437 PolarHBondContact O-N 3.22Å; Y1434-D1438 PolarHBondContact O-N 3.3Å; Y1434-D1438 VanDerWaalsContact O-N 3.12Å |
| 1435 | I | 82.9 | Confident | 81.4 | Confident | 24 Ų | 24 | 23.9 Ų | 23.9 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 173.1 | -74 | 168.9 | 0 | 0 | 0 | 110.8 | H134 Q1431 L1432 Q1439 | H134-I1435 HydrophobicContact CB-CG2 4.13Å; Q1431-I1435 HydrophobicContact CG-CD1 4.06Å; Q1431-I1435 WeakPolarHBondContact O-CG1 3.42Å; Q1431-I1435 PolarHBondContact O-N 3.4Å; L1432-I1435 PolarHBondContact O-N 2.88Å; L1432-I1435 VanDerWaalsContact O-N 3.17Å; I1435-Q1439 PolarHBondContact O-N 3.44Å |
| 1436 | L | 83.1 | Confident | 81 | Confident | 24 Ų | 24 | 25.9 Ų | 25.9 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.9 | -36 | 179 | -67.5 | 171 | 0 | 0 | 0 | 112.7 | F131 H134 L1432 T1433 Y1434 Q1439 L1440 | F131-L1436 HydrophobicContact CB-CD2 4.26Å; F131-L1436 HydrophobicContact CD2-CD1 3.85Å; F131-L1436 HydrophobicContact CD2-CD2 3.61Å; F131-L1436 HydrophobicContact CD2-CG 4.31Å; F131-L1436 HydrophobicContact CE2-CD1 3.48Å; F131-L1436 VanDerWaalsContact CE2-CD1 3.48Å; F131-L1436 HydrophobicContact CE2-CD2 4.15Å; F131-L1436 HydrophobicContact CE2-CG 4.41Å; F131-L1436 HydrophobicContact CG-CD2 3.96Å; F131-L1436 HydrophobicContact CZ-CD1 4.04Å; H134-L1436 HydrophobicContact CB-CD2 4.37Å; L1432-L1436 HydrophobicContact CD1-CD1 3.74Å; L1432-L1436 HydrophobicContact CD1-CG 4.01Å; L1432-L1436 HydrophobicContact CG-CD1 3.83Å; L1432-L1436 HydrophobicContact CG-CG 4.46Å; L1432-L1436 WeakPolarHBondContact O-CB 3.49Å; L1432-L1436 VanDerWaalsContact O-CG 3.3Å; L1432-L1436 WeakPolarHBondContact O-CG 3.21Å; L1432-L1436 PolarHBondContact O-N 2.85Å; T1433-L1436 PolarHBondContact O-N 3.42Å; Y1434-L1436 VanDerWaalsContact C-N 3.31Å; Y1434-L1436 PolarHBondContact O-N 3.47Å; L1436-Q1439 PolarHBondContact O-N 3.06Å; L1436-Q1439 VanDerWaalsContact O-N 3.14Å; L1436-L1440 WeakPolarHBondContact O-CB 3.37Å; L1436-L1440 PolarHBondContact O-N 3.14Å |
| 1437 | L | 85.5 | Confident | 80.4 | Confident | 29 Ų | 29 | 25.7 Ų | 25.7 | 15% | 0.152 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -46.9 | 173.8 | 179.1 | 62.7 | 0 | 0 | 0 | 111.3 | Y205 L206 M308 T1433 Y1434 Q1439 L1440 L1441 | Y205-L1437 HydrophobicContact CE1-CD2 4.11Å; L206-L1437 HydrophobicContact CD2-CD2 4.47Å; M308-L1437 HydrophobicContact CE-CD2 4.17Å; M308-L1437 HydrophobicContact SD-CD2 4.15Å; T1433-L1437 WeakPolarHBondContact O-CB 3.48Å; T1433-L1437 PolarHBondContact O-N 3.08Å; Y1434-L1437 HydrophobicContact CD1-CD2 4.19Å; Y1434-L1437 HydrophobicContact CE1-CD2 4.27Å; Y1434-L1437 PolarHBondContact O-N 3.22Å; L1437-Q1439 VanDerWaalsContact C-N 3.26Å; L1437-Q1439 PolarHBondContact O-N 2.57Å; L1437-L1440 PolarHBondContact O-N 2.94Å; L1437-L1441 HydrophobicContact CD1-CD1 4.03Å; L1437-L1441 HydrophobicContact CD1-CD2 4.4Å; L1437-L1441 HydrophobicContact CD1-CG 3.96Å; L1437-L1441 HydrophobicContact CG-CD1 3.89Å; L1437-L1441 HydrophobicContact CG-CG 4.27Å; L1437-L1441 WeakPolarHBondContact O-CB 3.31Å; L1437-L1441 VanDerWaalsContact O-CG 3.25Å; L1437-L1441 WeakPolarHBondContact O-CG 3.48Å; L1437-L1441 PolarHBondContact O-N 2.79Å |
| 1438 | D | 83 | Confident | 79.9 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -33.4 | 174.3 | -94.1 | -2.9 | 0 | 0 | 0 | 112.2 | H193 Y205 R1071 Y1434 L1442 | H193-D1438 IonicContact CD2-OD2 3.31Å; H193-D1438 IonicContact NE2-OD2 3.77Å; H193-D1438 PolarHBondContact NE2-OD2 3.24Å; Y205-D1438 PolarHBondContact OH-OD1 2.98Å; R1071-D1438 WeakPolarHBondContact CD-OD2 3.48Å; R1071-D1438 IonicContact CZ-OD2 3.46Å; R1071-D1438 IonicContact NE-OD2 3.5Å; R1071-D1438 VanDerWaalsContact NH1-CB 3.25Å; R1071-D1438 IonicContact NH1-OD2 3.85Å; R1071-D1438 PolarHBondContact NH1-OD2 2.64Å; Y1434-D1438 PolarHBondContact O-N 3.3Å; Y1434-D1438 VanDerWaalsContact O-N 3.12Å; D1438-L1442 WeakPolarHBondContact O-CD1 3.23Å; D1438-L1442 VanDerWaalsContact O-CG 3.24Å; D1438-L1442 WeakPolarHBondContact O-CG 3.36Å |
| 1439 | Q | 79.4 | Confident | 78.8 | Confident | 9 Ų | 9 | 27.1 Ų | 27.1 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71 | -43.5 | 174.3 | -69.4 | -63.5 | -13.7 | 0 | 0 | 112.3 | F126 H134 R1075 I1435 L1436 L1437 E1443 | F126-Q1439 HydrophobicContact CE2-CB 4.24Å; F126-Q1439 HydrophobicContact CZ-CB 4.14Å; H134-Q1439 PolarHBondContact CE1-NE2 3.2Å; H134-Q1439 PolarHBondContact NE2-NE2 3.22Å; R1075-Q1439 VanDerWaalsContact CZ-OE1 3.28Å; I1435-Q1439 PolarHBondContact O-N 3.44Å; L1436-Q1439 PolarHBondContact O-N 3.06Å; L1436-Q1439 VanDerWaalsContact O-N 3.14Å; L1437-Q1439 VanDerWaalsContact C-N 3.26Å; L1437-Q1439 PolarHBondContact O-N 2.57Å; Q1439-E1443 PolarHBondContact O-N 3.14Å |
| 1440 | L | 80.3 | Confident | 76.9 | Confident | 74 Ų | 74 | 32.5 Ų | 32.5 | 39% | 0.387 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70 | -36.5 | -177.1 | 176.4 | 134.7 | 0 | 0 | 0 | 112.5 | F126 L1436 L1437 E1443 L1444 | F126-L1440 HydrophobicContact CZ-CB 3.85Å; L1436-L1440 WeakPolarHBondContact O-CB 3.37Å; L1436-L1440 PolarHBondContact O-N 3.14Å; L1437-L1440 PolarHBondContact O-N 2.94Å; L1440-E1443 PolarHBondContact O-N 3.03Å; L1440-L1444 HydrophobicContact CD2-CD1 3.52Å; L1440-L1444 HydrophobicContact CG-CD1 3.88Å; L1440-L1444 WeakPolarHBondContact O-CG 3.47Å; L1440-L1444 PolarHBondContact O-N 2.93Å |
| 1441 | L | 81.2 | Confident | 74.5 | Confident | 16 Ų | 16 | 38.6 Ų | 38.6 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 176.5 | -73.2 | 173.7 | 0 | 0 | 0 | 112.6 | V209 L213 L1437 E1443 F1445 | V209-L1441 HydrophobicContact CG1-CD1 3.69Å; V209-L1441 HydrophobicContact CG1-CD2 4.43Å; V209-L1441 HydrophobicContact CG2-CD1 4.13Å; L213-L1441 HydrophobicContact CD1-CD2 3.85Å; L213-L1441 HydrophobicContact CD2-CD2 4.26Å; L1437-L1441 HydrophobicContact CD1-CD1 4.03Å; L1437-L1441 HydrophobicContact CD1-CD2 4.4Å; L1437-L1441 HydrophobicContact CD1-CG 3.96Å; L1437-L1441 HydrophobicContact CG-CD1 3.89Å; L1437-L1441 HydrophobicContact CG-CG 4.27Å; L1437-L1441 WeakPolarHBondContact O-CB 3.31Å; L1437-L1441 VanDerWaalsContact O-CG 3.25Å; L1437-L1441 WeakPolarHBondContact O-CG 3.48Å; L1437-L1441 PolarHBondContact O-N 2.79Å; L1441-E1443 VanDerWaalsContact C-N 3.31Å; L1441-E1443 PolarHBondContact O-N 2.85Å; L1441-F1445 HydrophobicContact CD2-CD2 4.44Å; L1441-F1445 WeakPolarHBondContact O-CB 3.45Å; L1441-F1445 PolarHBondContact O-N 3.35Å |
| 1442 | L | 77.1 | Confident | 71.9 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.1 | -27.3 | 179.2 | -62.6 | 173.6 | 0 | 0 | 0 | 112.5 | L1072 D1438 | L1072-L1442 HydrophobicContact CD2-CD2 3.53Å; D1438-L1442 WeakPolarHBondContact O-CD1 3.23Å; D1438-L1442 VanDerWaalsContact O-CG 3.24Å; D1438-L1442 WeakPolarHBondContact O-CG 3.36Å |
| 1443 | E | 75.7 | Confident | 69.6 | Low | 53 Ų | 53 | 46.4 Ų | 46.4 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -80.4 | -39.4 | 175.9 | -141.5 | 73.9 | 152.6 | 0 | 0 | 112.8 | I121 F126 R130 Q1439 L1440 L1441 | I121-E1443 HydrophobicContact CD1-CB 4.12Å; I121-E1443 HydrophobicContact CD1-CG 4.12Å; I121-E1443 WeakPolarHBondContact CD1-O 3.45Å; I121-E1443 HydrophobicContact CG1-CG 4.42Å; I121-E1443 HydrophobicContact CG2-CG 4.09Å; F126-E1443 HydrophobicContact CD2-CB 3.97Å; F126-E1443 HydrophobicContact CD2-CG 3.88Å; F126-E1443 HydrophobicContact CE2-CB 4.07Å; F126-E1443 HydrophobicContact CE2-CG 4.46Å; R130-E1443 IonicContact CZ-OE1 3.51Å; R130-E1443 IonicContact CZ-OE2 3.78Å; R130-E1443 IonicContact NE-OE1 3.75Å; R130-E1443 PolarHBondContact NE-OE1 3.18Å; R130-E1443 IonicContact NE-OE2 3.87Å; R130-E1443 IonicContact NH1-OE1 3.78Å; R130-E1443 IonicContact NH1-OE2 2.67Å; R130-E1443 PolarHBondContact NH1-OE2 2.9Å; R130-E1443 IonicContact NH2-OE1 2.79Å; R130-E1443 PolarHBondContact NH2-OE1 3.22Å; R130-E1443 IonicContact NH2-OE2 2.67Å; R130-E1443 PolarHBondContact NH2-OE2 2.79Å; Q1439-E1443 PolarHBondContact O-N 3.14Å; L1440-E1443 PolarHBondContact O-N 3.03Å; L1441-E1443 VanDerWaalsContact C-N 3.31Å; L1441-E1443 PolarHBondContact O-N 2.85Å |
| 1444 | L | 74.9 | Confident | 67.2 | Low | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.8 | -30.8 | 176.8 | -73.3 | 167.7 | 0 | 0 | 0 | 113.3 | R117 V118 I121 L1440 | R117-L1444 HydrophobicContact CB-CD2 3.86Å; R117-L1444 WeakPolarHBondContact CD-O 3.43Å; R117-L1444 PolarHBondContact NH1-O 2.82Å; V118-L1444 HydrophobicContact CB-CD2 4.4Å; V118-L1444 HydrophobicContact CG2-CD2 3.58Å; I121-L1444 HydrophobicContact CD1-CD2 3.59Å; I121-L1444 HydrophobicContact CD1-CG 3.99Å; L1440-L1444 HydrophobicContact CD2-CD1 3.52Å; L1440-L1444 HydrophobicContact CG-CD1 3.88Å; L1440-L1444 WeakPolarHBondContact O-CG 3.47Å; L1440-L1444 PolarHBondContact O-N 2.93Å |
| 1445 | F | 76.2 | Confident | 64.7 | Low | 5 Ų | 5 | 56.7 Ų | 56.7 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | trans | -133.3 | 68.5 | -174.2 | -54 | -82 | 0 | 0 | 0 | 110.3 | I114 R117 L213 V216 L217 L1441 E1447 L1448 | I114-F1445 HydrophobicContact CG1-CZ 4.29Å; R117-F1445 VanDerWaalsContact CD-CE1 3.46Å; L213-F1445 HydrophobicContact CD2-CB 4.43Å; L213-F1445 HydrophobicContact CD2-CD1 4.12Å; L213-F1445 HydrophobicContact CD2-CD2 3.38Å; L213-F1445 HydrophobicContact CD2-CE1 4.21Å; L213-F1445 HydrophobicContact CD2-CE2 3.52Å; L213-F1445 HydrophobicContact CD2-CG 3.71Å; L213-F1445 HydrophobicContact CD2-CZ 3.94Å; V216-F1445 HydrophobicContact CB-CD1 4.32Å; V216-F1445 HydrophobicContact CG1-CD1 3.63Å; V216-F1445 HydrophobicContact CG1-CE1 4.22Å; L217-F1445 HydrophobicContact CD2-CE1 3.97Å; L217-F1445 HydrophobicContact CD2-CZ 3.79Å; L217-F1445 HydrophobicContact CG-CE1 4.46Å; L217-F1445 HydrophobicContact CG-CZ 4.46Å; L1441-F1445 HydrophobicContact CD2-CD2 4.44Å; L1441-F1445 WeakPolarHBondContact O-CB 3.45Å; L1441-F1445 PolarHBondContact O-N 3.35Å; F1445-E1447 PolarHBondContact O-N 2.91Å; F1445-E1447 VanDerWaalsContact O-N 3.13Å; F1445-L1448 HydrophobicContact CB-CD1 3.74Å; F1445-L1448 HydrophobicContact CB-CG 3.77Å; F1445-L1448 VanDerWaalsContact O-CB 3.29Å; F1445-L1448 WeakPolarHBondContact O-CB 3.36Å; F1445-L1448 WeakPolarHBondContact O-CG 3.46Å; F1445-L1448 PolarHBondContact O-N 2.96Å | ||
| 1446 | P | 69.8 | Low | 62.3 | Low | 74 Ų | 74 | 62 Ų | 62 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -60.5 | -21.6 | 175.6 | 26.5 | -35.4 | 0 | 0 | 0 | 112.3 | L1448 H1449 | P1446-L1448 PolarHBondContact O-N 3.32Å; P1446-L1448 VanDerWaalsContact O-N 3.15Å; P1446-H1449 WeakPolarHBondContact O-CB 3.5Å; P1446-H1449 PolarHBondContact O-N 3.28Å |
| 1447 | E | 68.4 | Low | 60 | Low | 47 Ų | 47 | 68.8 Ų | 68.8 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -51.7 | -29.3 | 167.4 | -67.7 | 149.8 | -84.1 | 0 | 0 | 112.9 | R117 V216 S224 F1445 H1449 L1450 | R117-E1447 IonicContact CZ-OE1 3.65Å; R117-E1447 IonicContact NH1-OE1 3.54Å; R117-E1447 PolarHBondContact NH1-OE1 2.61Å; R117-E1447 IonicContact NH2-OE1 3.17Å; R117-E1447 PolarHBondContact NH2-OE1 3.18Å; R117-E1447 IonicContact NH2-OE2 2.66Å; R117-E1447 PolarHBondContact NH2-OE2 2.8Å; V216-E1447 WeakPolarHBondContact CG1-OE2 3.24Å; S224-E1447 VanDerWaalsContact CB-OE2 3.26Å; S224-E1447 WeakPolarHBondContact CB-OE2 3.43Å; F1445-E1447 PolarHBondContact O-N 2.91Å; F1445-E1447 VanDerWaalsContact O-N 3.13Å; E1447-H1449 PolarHBondContact O-N 2.87Å; E1447-L1450 PolarHBondContact O-N 3.17Å; E1447-L1450 VanDerWaalsContact O-N 3.16Å |
| 1448 | L | 67.7 | Low | 57.5 | Low | 39 Ų | 39 | 74.4 Ų | 74.4 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -71.8 | -9.1 | 177 | -61.3 | 179.5 | 0 | 0 | 0 | 114.3 | R212 L213 F1445 P1446 | R212-L1448 HydrophobicContact CB-CD2 4.04Å; L213-L1448 HydrophobicContact CD2-CD1 4.08Å; F1445-L1448 HydrophobicContact CB-CD1 3.74Å; F1445-L1448 HydrophobicContact CB-CG 3.77Å; F1445-L1448 VanDerWaalsContact O-CB 3.29Å; F1445-L1448 WeakPolarHBondContact O-CB 3.36Å; F1445-L1448 WeakPolarHBondContact O-CG 3.46Å; F1445-L1448 PolarHBondContact O-N 2.96Å; P1446-L1448 PolarHBondContact O-N 3.32Å; P1446-L1448 VanDerWaalsContact O-N 3.15Å |
| 1449 | H | 58.4 | Low | 55.1 | Low | 60 Ų | 60 | 78.7 Ų | 78.7 | 28% | 0.278 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -81.5 | -14.9 | 170.1 | -86.6 | -89.2 | 0 | 0 | 0 | 113.2 | P1446 E1447 | P1446-H1449 WeakPolarHBondContact O-CB 3.5Å; P1446-H1449 PolarHBondContact O-N 3.28Å; E1447-H1449 PolarHBondContact O-N 2.87Å |
| 1450 | L | 43.9 | Very low | 52.8 | Low | 120 Ų | 120 | 84 Ų | 84 | 63% | 0.628 | 44% | 0.439 | S | S | * | . | trans | -105.9 | 100.8 | -170.7 | -67.2 | 171.2 | 0 | 0 | 0 | 111.9 | E1447 | E1447-L1450 PolarHBondContact O-N 3.17Å; E1447-L1450 VanDerWaalsContact O-N 3.16Å | ||
| 1451 | N | 36.6 | Very low | 50.5 | Low | 148 Ų | 148 | 88.7 Ų | 88.7 | 79% | 0.791 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -177.1 | 75.4 | 147.2 | -102.6 | -6.2 | 0 | 0 | 0 | 109.8 | ||
| 1452 | N | 31.2 | Very low | 48 | Very low | 82 Ų | 82 | 93.7 Ų | 93.7 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -164.1 | -3.5 | 165.8 | -138.5 | 100.1 | 0 | 0 | 0 | 114.9 | ||
| 1453 | N | 34.5 | Very low | 45.6 | Very low | 98 Ų | 98 | 98.6 Ų | 98.6 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -85.9 | -28.9 | -175 | -70.2 | 11.5 | 0 | 0 | 0 | 112.9 | N1455 | N1453-N1455 VanDerWaalsContact C-N 3.29Å; N1453-N1455 PolarHBondContact O-N 3.45Å |
| 1454 | D | 35.7 | Very low | 43.5 | Very low | 119 Ų | 119 | 102.2 Ų | 102.2 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 17.4 | -167.1 | -43.1 | -84.8 | 0 | 0 | 0 | 114.6 | ||
| 1455 | N | 32.6 | Very low | 41.2 | Very low | 123 Ų | 123 | 109.5 Ų | 109.5 | 66% | 0.658 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | -7.2 | -175.9 | -77.1 | -72.8 | 0 | 0 | 0 | 115.2 | N1453 T1459 | N1453-N1455 VanDerWaalsContact C-N 3.29Å; N1453-N1455 PolarHBondContact O-N 3.45Å; N1455-T1459 PolarHBondContact O-OG1 2.96Å |
| 1456 | E | 34.2 | Very low | 39 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 64% | 0.64 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -22.9 | -176.5 | -70.2 | -174 | 169.9 | 0 | 0 | 114.2 | ||
| 1457 | E | 34 | Very low | 37 | Very low | 165 Ų | 165 | 117.8 Ų | 117.8 | 77% | 0.771 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -70.5 | -42.5 | 176.5 | -64.7 | -162.5 | 144.1 | 0 | 0 | 112.8 | T1459 I1460 | E1457-T1459 PolarHBondContact O-N 2.83Å; E1457-I1460 PolarHBondContact O-N 3.22Å |
| 1458 | D | 32.2 | Very low | 35.4 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -13.8 | 179.5 | -84.5 | -27.3 | 0 | 0 | 0 | 114.1 | ||
| 1459 | T | 33.3 | Very low | 33.7 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -7.6 | -178.8 | -48.2 | 0 | 0 | 0 | 0 | 113.1 | N1455 E1457 | N1455-T1459 PolarHBondContact O-OG1 2.96Å; E1457-T1459 PolarHBondContact O-N 2.83Å |
| 1460 | I | 32.1 | Very low | 32.5 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -25.7 | -178.9 | -67.8 | 172.1 | 0 | 0 | 0 | 112 | E1457 T1462 | E1457-I1460 PolarHBondContact O-N 3.22Å; I1460-T1462 VanDerWaalsContact C-N 3.29Å; I1460-T1462 PolarHBondContact O-N 3.21Å |
| 1461 | H | 30.6 | Very low | 31.9 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 44.2 | -179 | -80 | -54.6 | 0 | 0 | 0 | 114.9 | ||
| 1462 | T | 28.4 | Very low | 31.7 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.6 | -10.2 | 169.3 | -8.4 | 0 | 0 | 0 | 0 | 118.8 | I1460 | I1460-T1462 VanDerWaalsContact C-N 3.29Å; I1460-T1462 PolarHBondContact O-N 3.21Å |
| 1463 | T | 28 | Very low | 31.8 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -141.6 | 60.1 | -173.8 | 45.9 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1464 | T | 31 | Very low | 31.6 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | -144.8 | 44.3 | 164.6 | 23.9 | 0 | 0 | 0 | 0 | 114.2 | T1466 | T1464-T1466 VanDerWaalsContact C-N 3.3Å; T1464-T1466 PolarHBondContact O-N 2.95Å | ||
| 1465 | N | 27 | Very low | 31.5 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -73.8 | 81.3 | 162.6 | -97.7 | -17.3 | 0 | 0 | 0 | 110.5 | ||||
| 1466 | T | 30.4 | Very low | 31.4 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -177 | 135.4 | 144.6 | 15 | 0 | 0 | 0 | 0 | 113.3 | T1464 | T1464-T1466 VanDerWaalsContact C-N 3.3Å; T1464-T1466 PolarHBondContact O-N 2.95Å |
| 1467 | T | 28 | Very low | 31.2 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 47.3 | 92.3 | 152.7 | 57.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1468 | T | 33.5 | Very low | 31.1 | Very low | 145 Ų | 145 | 137 Ų | 137 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -141.9 | 125.7 | 135.4 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1469 | D | 32.5 | Very low | 31 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -80.1 | 130.4 | 174.1 | -107.4 | -65.3 | 0 | 0 | 0 | 111.6 | ||||
| 1470 | N | 32.4 | Very low | 30.9 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | trans | 38.4 | 133.8 | 135 | -75.8 | -59 | 0 | 0 | 0 | 122.4 | ||||
| 1471 | N | 32.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 66% | 0.658 | 80% | 0.804 | S | S | * | * | trans | 92 | 94.2 | 140.6 | -65.1 | -26.1 | 0 | 0 | 0 | 122 | ||||
| 1472 | N | 31.9 | Very low | 30.8 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | 92.4 | 151.4 | 109.8 | -64.4 | -20.2 | 0 | 0 | 0 | 122.1 | |||||
| 1473 | S | 32.4 | Very low | 31 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | 59.7 | 111.1 | 174.4 | 41.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1474 | S | 29.8 | Very low | 31.2 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | cis | 70.5 | 110 | 41.7 | 88.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1475 | I | 33.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -172.2 | 121.1 | 135.1 | -95.6 | 148.1 | 0 | 0 | 0 | 108.7 | ||||
| 1476 | D | 31.3 | Very low | 31.6 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | 24.6 | 107.1 | 149.6 | -42.4 | -26.3 | 0 | 0 | 0 | 120.5 | ||||
| 1477 | T | 30.5 | Very low | 31.7 | Very low | 223 Ų | 223 | 139.5 Ų | 139.5 | 100% | 1.368 | 81% | 0.81 | S | S | * | * | -165.5 | 0 | 109.2 | 10.7 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 1,477 of 1,477 residues in 1500.9 ms
(Link to these results)