| 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 | 45.3 | Very low | 65.8 | Low | 142 Ų | 142 | 96.9 Ų | 96.9 | 70% | 0.7 | 50% | 0.503 | S | S | * | . | 0 | -63.3 | 0 | -70.2 | -160.8 | 73.6 | 0 | 0 | 112 | H3 E4 F9 | M1-H3 PolarHBondContact O-N 3.09Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.89Å; M1-F9 HydrophobicContact CB-CE1 4.46Å; M1-F9 HydrophobicContact CB-CZ 3.84Å; M1-F9 HydrophobicContact CE-CE1 4.29Å; M1-F9 HydrophobicContact CE-CZ 4.49Å; M1-F9 WeakPolarHBondContact O-CE2 3.12Å; M1-F9 WeakPolarHBondContact O-CZ 3.48Å | |||
| 2 | L | 47 | Very low | 67.3 | Low | 50 Ų | 50 | 95.3 Ų | 95.3 | 26% | 0.262 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -20.1 | 178.9 | -80.5 | 166.6 | 0 | 0 | 0 | 115.1 | E4 F9 F50 F51 | L2-E4 VanDerWaalsContact C-N 3.31Å; L2-F9 HydrophobicContact CD2-CZ 4.47Å; L2-F50 HydrophobicContact CD2-CD1 3.56Å; L2-F50 HydrophobicContact CD2-CE1 3.11Å; L2-F50 HydrophobicContact CD2-CE2 4.36Å; L2-F50 HydrophobicContact CD2-CG 4.39Å; L2-F50 HydrophobicContact CD2-CZ 3.57Å; L2-F51 HydrophobicContact CD1-CZ 4.49Å; L2-F51 HydrophobicContact CD2-CZ 4.23Å |
| 3 | H | 52.7 | Low | 68.6 | Low | 179 Ų | 179 | 90.7 Ų | 90.7 | 83% | 0.829 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.6 | 172.8 | -71.5 | -64.8 | 0 | 0 | 0 | 115 | M1 | M1-H3 PolarHBondContact O-N 3.09Š|
| 4 | E | 55.6 | Low | 69.4 | Low | 124 Ų | 124 | 86.5 Ų | 86.5 | 58% | 0.579 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -92.4 | 151.1 | 179.1 | -67.2 | 168.8 | -170.3 | 0 | 0 | 110.4 | M1 L2 | M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.89Å; L2-E4 VanDerWaalsContact C-N 3.31Å |
| 5 | E | 65.8 | Low | 70.2 | Confident | 141 Ų | 141 | 85.7 Ų | 85.7 | 66% | 0.659 | 45% | 0.451 | S | S | * | . | trans | -47.3 | 137.9 | -173.5 | -66.6 | -175.3 | 163.3 | 0 | 0 | 112.6 | E7 G8 | E5-E7 PolarHBondContact O-N 3.33Å; E5-G8 PolarHBondContact O-N 3.05Å; E5-G8 VanDerWaalsContact O-N 3.08Å | ||
| 6 | P | 65.9 | Low | 70.7 | Confident | 62 Ų | 62 | 82.6 Ų | 82.6 | 40% | 0.403 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -55.7 | -27.1 | -175.9 | 19.9 | -31.1 | 0 | 0 | 0 | 113.1 | G8 F9 V10 F50 | P6-G8 VanDerWaalsContact C-N 3.29Å; P6-G8 PolarHBondContact O-N 3.22Å; P6-F9 PolarHBondContact O-N 3.1Å; P6-V10 WeakPolarHBondContact O-CG2 3.47Å; P6-V10 PolarHBondContact O-N 3.47Å; P6-F50 HydrophobicContact CB-CE2 4.39Å |
| 7 | E | 72.3 | Confident | 71.1 | Confident | 144 Ų | 144 | 79.3 Ų | 79.3 | 67% | 0.673 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.3 | -39 | 178.2 | -58.9 | -173.2 | 178.5 | 0 | 0 | 113.2 | E5 F9 V10 L11 | E5-E7 PolarHBondContact O-N 3.33Å; E7-F9 VanDerWaalsContact C-N 3.35Å; E7-F9 PolarHBondContact O-N 2.94Å; E7-V10 PolarHBondContact O-N 3.46Å; E7-L11 PolarHBondContact O-N 3.28Å |
| 8 | G | 77.2 | Confident | 71.5 | Confident | 48 Ų | 48 | 82.4 Ų | 82.4 | 50% | 0.495 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E5 P6 L12 | E5-G8 PolarHBondContact O-N 3.05Å; E5-G8 VanDerWaalsContact O-N 3.08Å; P6-G8 VanDerWaalsContact C-N 3.29Å; P6-G8 PolarHBondContact O-N 3.22Å; G8-L12 WeakPolarHBondContact O-CB 3.45Å; G8-L12 PolarHBondContact O-N 3.01Å |
| 9 | F | 80 | Confident | 71.7 | Confident | 22 Ų | 22 | 79.4 Ų | 79.4 | 10% | 0.096 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.5 | -40.1 | 175.6 | -74.6 | -78.8 | 0 | 0 | 0 | 112.3 | M1 L2 P6 E7 L11 L12 F13 F50 L54 | M1-F9 HydrophobicContact CB-CE1 4.46Å; M1-F9 HydrophobicContact CB-CZ 3.84Å; M1-F9 HydrophobicContact CE-CE1 4.29Å; M1-F9 HydrophobicContact CE-CZ 4.49Å; M1-F9 WeakPolarHBondContact O-CE2 3.12Å; M1-F9 WeakPolarHBondContact O-CZ 3.48Å; L2-F9 HydrophobicContact CD2-CZ 4.47Å; P6-F9 PolarHBondContact O-N 3.1Å; E7-F9 VanDerWaalsContact C-N 3.35Å; E7-F9 PolarHBondContact O-N 2.94Å; F9-L11 VanDerWaalsContact C-N 3.3Å; F9-L11 PolarHBondContact O-N 3Å; F9-L12 PolarHBondContact O-N 3.48Å; F9-F13 HydrophobicContact CB-CD2 4.16Å; F9-F13 HydrophobicContact CB-CE2 4.16Å; F9-F13 HydrophobicContact CD1-CD2 4.48Å; F9-F13 AromaticContact CD1-CE2 3.75Å; F9-F13 HydrophobicContact CD1-CE2 3.75Å; F9-F13 HydrophobicContact CD1-CZ 4.44Å; F9-F13 HydrophobicContact CG-CE2 4.42Å; F9-F13 WeakPolarHBondContact O-CB 3.36Å; F9-F13 WeakPolarHBondContact O-CD2 3.08Å; F9-F13 PolarHBondContact O-N 3.23Å; F9-F50 HydrophobicContact CB-CZ 4.37Å; F9-F50 AromaticContact CD2-CE2 3.8Å; F9-F50 HydrophobicContact CD2-CE2 3.8Å; F9-F50 AromaticContact CD2-CZ 3.59Å; F9-F50 HydrophobicContact CD2-CZ 3.59Å; F9-F50 HydrophobicContact CE2-CE2 4.09Å; F9-F50 AromaticContact CE2-CZ 3.84Å; F9-F50 HydrophobicContact CE2-CZ 3.84Å; F9-F50 HydrophobicContact CG-CE2 4.49Å; F9-F50 AromaticContact CG-CZ 3.93Å; F9-F50 HydrophobicContact CG-CZ 3.93Å; F9-F50 HydrophobicContact CZ-CZ 4.39Å; F9-L54 HydrophobicContact CB-CD1 3.86Å |
| 10 | V | 81.3 | Confident | 71.7 | Confident | 36 Ų | 36 | 79.6 Ų | 79.6 | 22% | 0.218 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 110 | P6 E7 S14 L54 A57 L58 | P6-V10 WeakPolarHBondContact O-CG2 3.47Å; P6-V10 PolarHBondContact O-N 3.47Å; E7-V10 PolarHBondContact O-N 3.46Å; V10-S14 WeakPolarHBondContact O-CB 3.47Å; V10-S14 PolarHBondContact O-N 2.63Å; V10-S14 PolarHBondContact O-OG 3.42Å; V10-L54 HydrophobicContact CG2-CD1 3.92Å; V10-A57 HydrophobicContact CB-CB 4.5Å; V10-A57 HydrophobicContact CG1-CB 4.19Å; V10-A57 HydrophobicContact CG2-CB 3.44Å; V10-A57 VanDerWaalsContact CG2-CB 3.44Å; V10-L58 HydrophobicContact CG1-CD2 4.3Å |
| 11 | L | 81.4 | Confident | 71.6 | Confident | 118 Ų | 118 | 80.8 Ų | 80.8 | 62% | 0.618 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 175.4 | -176 | 63.9 | 0 | 0 | 0 | 112.1 | E7 F9 S14 T15 | E7-L11 PolarHBondContact O-N 3.28Å; F9-L11 VanDerWaalsContact C-N 3.3Å; F9-L11 PolarHBondContact O-N 3Å; L11-S14 WeakPolarHBondContact CA-OG 3.47Å; L11-S14 PolarHBondContact O-OG 3.3Å; L11-T15 VanDerWaalsContact O-CB 3.28Å; L11-T15 WeakPolarHBondContact O-CB 3.42Å; L11-T15 PolarHBondContact O-N 3.22Å; L11-T15 PolarHBondContact O-OG1 3.39Å |
| 12 | L | 83 | Confident | 72.5 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 41% | 0.408 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.2 | -54 | 178.7 | 176.8 | 64.1 | 0 | 0 | 0 | 111.5 | G8 F9 T15 L16 | G8-L12 WeakPolarHBondContact O-CB 3.45Å; G8-L12 PolarHBondContact O-N 3.01Å; F9-L12 PolarHBondContact O-N 3.48Å; L12-T15 PolarHBondContact O-N 3.4Å; L12-L16 HydrophobicContact CD1-CD1 4.37Å; L12-L16 HydrophobicContact CG-CD1 4.22Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.12Å |
| 13 | F | 84.1 | Confident | 73.2 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 15% | 0.154 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.9 | -37.1 | -176.4 | -69.9 | -59.8 | 0 | 0 | 0 | 112.2 | F9 T15 L16 M17 V33 I37 L54 L58 | F9-F13 HydrophobicContact CB-CD2 4.16Å; F9-F13 HydrophobicContact CB-CE2 4.16Å; F9-F13 HydrophobicContact CD1-CD2 4.48Å; F9-F13 AromaticContact CD1-CE2 3.75Å; F9-F13 HydrophobicContact CD1-CE2 3.75Å; F9-F13 HydrophobicContact CD1-CZ 4.44Å; F9-F13 HydrophobicContact CG-CE2 4.42Å; F9-F13 WeakPolarHBondContact O-CB 3.36Å; F9-F13 WeakPolarHBondContact O-CD2 3.08Å; F9-F13 PolarHBondContact O-N 3.23Å; F13-T15 VanDerWaalsContact C-N 3.31Å; F13-T15 PolarHBondContact O-N 3.46Å; F13-L16 HydrophobicContact CD1-CD1 3.95Å; F13-L16 HydrophobicContact CE1-CD1 4.4Å; F13-L16 PolarHBondContact O-N 3.35Å; F13-M17 WeakPolarHBondContact O-CB 3.23Å; F13-M17 VanDerWaalsContact O-CG 3.27Å; F13-M17 WeakPolarHBondContact O-CG 3.47Å; F13-M17 PolarHBondContact O-N 3.47Å; F13-V33 HydrophobicContact CB-CG1 4.22Å; F13-V33 HydrophobicContact CD1-CG1 3.6Å; F13-V33 HydrophobicContact CE1-CG1 4.31Å; F13-V33 HydrophobicContact CG-CG1 4.18Å; F13-I37 HydrophobicContact CD2-CD1 4.37Å; F13-I37 HydrophobicContact CE1-CG1 4.48Å; F13-I37 HydrophobicContact CE2-CD1 4.46Å; F13-I37 HydrophobicContact CE2-CG1 4.42Å; F13-I37 HydrophobicContact CG-CD1 4.45Å; F13-I37 HydrophobicContact CZ-CG1 4.25Å; F13-L54 HydrophobicContact CD2-CD1 4.1Å; F13-L54 HydrophobicContact CD2-CD2 4.17Å; F13-L54 HydrophobicContact CE2-CD2 3.89Å; F13-L58 HydrophobicContact CB-CD1 3.77Å; F13-L58 HydrophobicContact CB-CD2 3.84Å; F13-L58 HydrophobicContact CB-CG 4.48Å; F13-L58 HydrophobicContact CD2-CD1 4.27Å; F13-L58 HydrophobicContact CG-CD1 4.26Å |
| 14 | S | 80.5 | Confident | 73.9 | Confident | 32 Ų | 32 | 75.3 Ų | 75.3 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 171.9 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | V10 L11 M17 N18 | V10-S14 WeakPolarHBondContact O-CB 3.47Å; V10-S14 PolarHBondContact O-N 2.63Å; V10-S14 PolarHBondContact O-OG 3.42Å; L11-S14 WeakPolarHBondContact CA-OG 3.47Å; L11-S14 PolarHBondContact O-OG 3.3Å; S14-M17 PolarHBondContact O-N 2.95Å; S14-N18 VanDerWaalsContact O-CB 3.32Å; S14-N18 WeakPolarHBondContact O-CB 3.38Å; S14-N18 PolarHBondContact O-N 3.44Å; S14-N18 PolarHBondContact O-ND2 3.39Å |
| 15 | T | 80.8 | Confident | 74.5 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 45% | 0.454 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 173.7 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | L11 L12 F13 N18 S19 | L11-T15 VanDerWaalsContact O-CB 3.28Å; L11-T15 WeakPolarHBondContact O-CB 3.42Å; L11-T15 PolarHBondContact O-N 3.22Å; L11-T15 PolarHBondContact O-OG1 3.39Å; L12-T15 PolarHBondContact O-N 3.4Å; F13-T15 VanDerWaalsContact C-N 3.31Å; F13-T15 PolarHBondContact O-N 3.46Å; T15-N18 PolarHBondContact O-N 3.42Å; T15-S19 WeakPolarHBondContact O-CB 3.35Å; T15-S19 PolarHBondContact O-N 3.47Å |
| 16 | L | 78.3 | Confident | 74.6 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 19% | 0.194 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.1 | -72 | 170.3 | 0 | 0 | 0 | 111.5 | L12 F13 N18 S19 I22 L28 | L12-L16 HydrophobicContact CD1-CD1 4.37Å; L12-L16 HydrophobicContact CG-CD1 4.22Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.12Å; F13-L16 HydrophobicContact CD1-CD1 3.95Å; F13-L16 HydrophobicContact CE1-CD1 4.4Å; F13-L16 PolarHBondContact O-N 3.35Å; L16-N18 PolarHBondContact O-N 3.43Å; L16-S19 PolarHBondContact O-N 2.8Å; L16-I22 HydrophobicContact CD2-CD1 3.97Å; L16-I22 HydrophobicContact CD2-CG2 4.06Å; L16-L28 HydrophobicContact CD2-CD1 4.27Å |
| 17 | M | 78.5 | Confident | 74.5 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 179.8 | -70.5 | -173.7 | -61 | 0 | 0 | 112.9 | F13 S14 N23 T30 V33 F34 L58 | F13-M17 WeakPolarHBondContact O-CB 3.23Å; F13-M17 VanDerWaalsContact O-CG 3.27Å; F13-M17 WeakPolarHBondContact O-CG 3.47Å; F13-M17 PolarHBondContact O-N 3.47Å; S14-M17 PolarHBondContact O-N 2.95Å; M17-N23 PolarHBondContact O-ND2 3.3Å; M17-T30 HydrophobicContact SD-CG2 3.95Å; M17-V33 HydrophobicContact CG-CB 4.22Å; M17-V33 HydrophobicContact CG-CG1 4.26Å; M17-V33 HydrophobicContact CG-CG2 4.02Å; M17-V33 HydrophobicContact SD-CG1 4.47Å; M17-F34 HydrophobicContact SD-CE2 4.46Å; M17-F34 HydrophobicContact SD-CZ 4.41Å; M17-L58 HydrophobicContact CE-CB 4.19Å; M17-L58 HydrophobicContact CE-CD2 3.66Å; M17-L58 HydrophobicContact CE-CG 4.35Å |
| 18 | N | 77.1 | Confident | 74.5 | Confident | 136 Ų | 136 | 68.8 Ų | 68.8 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -89.5 | -10.8 | -177.5 | -69.5 | -38.4 | 0 | 0 | 0 | 114.2 | S14 T15 L16 S20 | S14-N18 VanDerWaalsContact O-CB 3.32Å; S14-N18 WeakPolarHBondContact O-CB 3.38Å; S14-N18 PolarHBondContact O-N 3.44Å; S14-N18 PolarHBondContact O-ND2 3.39Å; T15-N18 PolarHBondContact O-N 3.42Å; L16-N18 PolarHBondContact O-N 3.43Å; N18-S20 PolarHBondContact O-N 3.33Å |
| 19 | S | 75.7 | Confident | 74.4 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | trans | -80.3 | 101.9 | -178 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | T15 L16 T21 I22 N23 | T15-S19 WeakPolarHBondContact O-CB 3.35Å; T15-S19 PolarHBondContact O-N 3.47Å; L16-S19 PolarHBondContact O-N 2.8Å; S19-T21 PolarHBondContact O-N 2.95Å; S19-I22 PolarHBondContact O-N 3.49Å; S19-I22 WeakPolarHBondContact OG-CD1 2.98Å; S19-I22 VanDerWaalsContact OG-CG1 3.25Å; S19-I22 WeakPolarHBondContact OG-CG1 3.44Å; S19-I22 PolarHBondContact OG-N 3.28Å; S19-N23 PolarHBondContact O-N 2.98Å | ||
| 20 | S | 71.4 | Confident | 74.4 | Confident | 83 Ų | 83 | 71 Ų | 71 | 58% | 0.58 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.5 | -37.8 | 174.5 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | N18 L24 | N18-S20 PolarHBondContact O-N 3.33Å; S20-L24 WeakPolarHBondContact O-CD1 3.47Å; S20-L24 PolarHBondContact O-N 3.25Å; S20-L24 VanDerWaalsContact O-N 3.14Å |
| 21 | T | 70.6 | Confident | 74.3 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 64% | 0.644 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 179.1 | -12.6 | 0 | 0 | 0 | 0 | 112.5 | S19 S25 | S19-T21 PolarHBondContact O-N 2.95Å; T21-S25 PolarHBondContact O-N 3.26Å; T21-S25 PolarHBondContact O-OG 3.37Å |
| 22 | I | 63 | Low | 74.4 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -74.8 | -39.6 | 179.8 | -65.5 | 172.8 | 0 | 0 | 0 | 110.4 | L16 S19 L24 S25 Y26 L28 | L16-I22 HydrophobicContact CD2-CD1 3.97Å; L16-I22 HydrophobicContact CD2-CG2 4.06Å; S19-I22 PolarHBondContact O-N 3.49Å; S19-I22 WeakPolarHBondContact OG-CD1 2.98Å; S19-I22 VanDerWaalsContact OG-CG1 3.25Å; S19-I22 WeakPolarHBondContact OG-CG1 3.44Å; S19-I22 PolarHBondContact OG-N 3.28Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.08Å; I22-S25 WeakPolarHBondContact CA-OG 3.46Å; I22-S25 PolarHBondContact O-N 3.03Å; I22-S25 VanDerWaalsContact O-N 3.16Å; I22-S25 PolarHBondContact O-OG 3.49Å; I22-Y26 HydrophobicContact CG2-CD2 4.08Å; I22-Y26 PolarHBondContact O-N 3.46Å; I22-L28 HydrophobicContact CG2-CB 4.46Å; I22-L28 HydrophobicContact CG2-CD1 3.83Å |
| 23 | N | 63.2 | Low | 74.4 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 28% | 0.278 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 174.8 | -77.6 | -16.3 | 0 | 0 | 0 | 112.3 | M17 S19 S25 G27 L28 | M17-N23 PolarHBondContact O-ND2 3.3Å; S19-N23 PolarHBondContact O-N 2.98Å; N23-S25 VanDerWaalsContact C-N 3.34Å; N23-S25 PolarHBondContact O-N 2.96Å; N23-G27 WeakPolarHBondContact O-CA 3.46Å; N23-G27 PolarHBondContact O-N 3.23Å; N23-L28 PolarHBondContact OD1-O 3.14Å |
| 24 | L | 67.6 | Low | 74.6 | Confident | 157 Ų | 157 | 70.2 Ų | 70.2 | 82% | 0.822 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.8 | -30.4 | 177 | -87.9 | 153.6 | 0 | 0 | 0 | 113.8 | S20 I22 | S20-L24 WeakPolarHBondContact O-CD1 3.47Å; S20-L24 PolarHBondContact O-N 3.25Å; S20-L24 VanDerWaalsContact O-N 3.14Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.08Å |
| 25 | S | 68.1 | Low | 74.9 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -96.4 | -32.2 | -173.1 | 44.4 | 0 | 0 | 0 | 0 | 114.2 | T21 I22 N23 | T21-S25 PolarHBondContact O-N 3.26Å; T21-S25 PolarHBondContact O-OG 3.37Å; I22-S25 WeakPolarHBondContact CA-OG 3.46Å; I22-S25 PolarHBondContact O-N 3.03Å; I22-S25 VanDerWaalsContact O-N 3.16Å; I22-S25 PolarHBondContact O-OG 3.49Å; N23-S25 VanDerWaalsContact C-N 3.34Å; N23-S25 PolarHBondContact O-N 2.96Å |
| 26 | Y | 66.2 | Low | 75.1 | Confident | 179 Ų | 179 | 71.3 Ų | 71.3 | 70% | 0.702 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -121.1 | -5.4 | -175.4 | -63.8 | -83.4 | 0 | 0 | 0 | 114.2 | I22 L28 | I22-Y26 HydrophobicContact CG2-CD2 4.08Å; I22-Y26 PolarHBondContact O-N 3.46Å; Y26-L28 PolarHBondContact O-N 3.06Å |
| 27 | G | 65.4 | Low | 75.5 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | trans | 65.1 | 25 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N23 D29 | N23-G27 WeakPolarHBondContact O-CA 3.46Å; N23-G27 PolarHBondContact O-N 3.23Å; G27-D29 PolarHBondContact O-N 2.96Å | ||
| 28 | L | 71.3 | Confident | 76 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | trans | -78.6 | 53.1 | -179.3 | -70.4 | 173.5 | 0 | 0 | 0 | 112.4 | L16 I22 N23 Y26 R32 M36 | L16-L28 HydrophobicContact CD2-CD1 4.27Å; I22-L28 HydrophobicContact CG2-CB 4.46Å; I22-L28 HydrophobicContact CG2-CD1 3.83Å; N23-L28 PolarHBondContact OD1-O 3.14Å; Y26-L28 PolarHBondContact O-N 3.06Å; L28-R32 HydrophobicContact CD2-CG 4.14Å; L28-M36 HydrophobicContact CD2-SD 3.88Å | ||
| 29 | D | 75.3 | Confident | 76.4 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | trans | -57.9 | 162.8 | 173 | 81.4 | -18.3 | 0 | 0 | 0 | 111.5 | G27 R31 R32 V33 | G27-D29 PolarHBondContact O-N 2.96Å; D29-R31 PolarHBondContact O-N 3.14Å; D29-R31 WeakPolarHBondContact OD1-CB 3.48Å; D29-R31 PolarHBondContact OD1-N 3.39Å; D29-R31 IonicContact OD2-CZ 2.82Å; D29-R31 VanDerWaalsContact OD2-CZ 3.3Å; D29-R31 IonicContact OD2-NE 3.75Å; D29-R31 PolarHBondContact OD2-NE 2.93Å; D29-R31 IonicContact OD2-NH2 3.57Å; D29-R31 PolarHBondContact OD2-NH2 3.08Å; D29-R32 PolarHBondContact O-N 3.01Å; D29-R32 WeakPolarHBondContact OD1-CB 3.47Å; D29-R32 PolarHBondContact OD1-N 3.5Å; D29-V33 PolarHBondContact O-N 3.36Å; D29-V33 VanDerWaalsContact O-N 3.17Å | ||
| 30 | T | 80 | Confident | 77 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -48.4 | -36.9 | 180 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | M17 F34 | M17-T30 HydrophobicContact SD-CG2 3.95Å; T30-F34 HydrophobicContact CG2-CD2 3.95Å; T30-F34 HydrophobicContact CG2-CE2 3.54Å; T30-F34 WeakPolarHBondContact O-CD2 3.21Å; T30-F34 PolarHBondContact O-N 3.14Å |
| 31 | R | 80.1 | Confident | 77.8 | Confident | 111 Ų | 111 | 64.7 Ų | 64.7 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -46 | 177.4 | -73.9 | 173.7 | -67.3 | -172.2 | -1.6 | 112.5 | D29 V33 F34 D35 M64 I68 | D29-R31 PolarHBondContact O-N 3.14Å; D29-R31 WeakPolarHBondContact OD1-CB 3.48Å; D29-R31 PolarHBondContact OD1-N 3.39Å; D29-R31 IonicContact OD2-CZ 2.82Å; D29-R31 VanDerWaalsContact OD2-CZ 3.3Å; D29-R31 IonicContact OD2-NE 3.75Å; D29-R31 PolarHBondContact OD2-NE 2.93Å; D29-R31 IonicContact OD2-NH2 3.57Å; D29-R31 PolarHBondContact OD2-NH2 3.08Å; R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.1Å; R31-F34 PolarHBondContact O-N 2.9Å; R31-D35 WeakPolarHBondContact O-CB 3.44Å; R31-D35 PolarHBondContact O-N 3.36Å; R31-M64 HydrophobicContact CG-CE 4.03Å; R31-M64 HydrophobicContact CG-CG 4.34Å; R31-M64 HydrophobicContact CG-SD 3.3Å; R31-M64 WeakPolarHBondContact CG-SD 3.39Å; R31-I68 WeakPolarHBondContact O-CD1 3.37Å |
| 32 | R | 82.1 | Confident | 78.6 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 50% | 0.498 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -34.5 | -178.9 | -168.4 | 58 | 169.2 | 178.2 | -3.7 | 112.4 | L28 D29 D35 M36 | L28-R32 HydrophobicContact CD2-CG 4.14Å; D29-R32 PolarHBondContact O-N 3.01Å; D29-R32 WeakPolarHBondContact OD1-CB 3.47Å; D29-R32 PolarHBondContact OD1-N 3.5Å; R32-D35 IonicContact CZ-OD2 2.73Å; R32-D35 IonicContact NH1-OD2 3.35Å; R32-D35 PolarHBondContact NH1-OD2 3.26Å; R32-D35 PolarHBondContact O-N 3.03Å; R32-M36 VanDerWaalsContact O-CG 3.32Å; R32-M36 WeakPolarHBondContact O-CG 3.23Å; R32-M36 PolarHBondContact O-N 3.38Å |
| 33 | V | 84.2 | Confident | 79.7 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 174.4 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | F13 M17 D29 R31 D35 M36 I37 | F13-V33 HydrophobicContact CB-CG1 4.22Å; F13-V33 HydrophobicContact CD1-CG1 3.6Å; F13-V33 HydrophobicContact CE1-CG1 4.31Å; F13-V33 HydrophobicContact CG-CG1 4.18Å; M17-V33 HydrophobicContact CG-CB 4.22Å; M17-V33 HydrophobicContact CG-CG1 4.26Å; M17-V33 HydrophobicContact CG-CG2 4.02Å; M17-V33 HydrophobicContact SD-CG1 4.47Å; D29-V33 PolarHBondContact O-N 3.36Å; D29-V33 VanDerWaalsContact O-N 3.17Å; R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.1Å; V33-D35 PolarHBondContact O-N 3Å; V33-M36 PolarHBondContact O-N 3.25Å; V33-I37 HydrophobicContact CG1-CD1 4.11Å; V33-I37 WeakPolarHBondContact O-CG1 3.19Å; V33-I37 PolarHBondContact O-N 3.32Å |
| 34 | F | 88.1 | Confident | 80.8 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 2% | 0.022 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -39.2 | 176.3 | -72.9 | -55.3 | 0 | 0 | 0 | 112.8 | M17 T30 R31 M36 I37 L38 L55 L58 A60 L65 I68 | M17-F34 HydrophobicContact SD-CE2 4.46Å; M17-F34 HydrophobicContact SD-CZ 4.41Å; T30-F34 HydrophobicContact CG2-CD2 3.95Å; T30-F34 HydrophobicContact CG2-CE2 3.54Å; T30-F34 WeakPolarHBondContact O-CD2 3.21Å; T30-F34 PolarHBondContact O-N 3.14Å; R31-F34 PolarHBondContact O-N 2.9Å; F34-M36 VanDerWaalsContact C-N 3.33Å; F34-M36 PolarHBondContact O-N 3.13Å; F34-I37 HydrophobicContact CD1-CD1 4.25Å; F34-I37 PolarHBondContact O-N 3.35Å; F34-L38 WeakPolarHBondContact O-CG 3.34Å; F34-L38 PolarHBondContact O-N 3.13Å; F34-L55 HydrophobicContact CD1-CD2 3.59Å; F34-L55 HydrophobicContact CE1-CD2 3.89Å; F34-L58 HydrophobicContact CE1-CB 3.95Å; F34-L58 HydrophobicContact CE1-CD1 4.34Å; F34-L58 HydrophobicContact CZ-CB 4.13Å; F34-A60 HydrophobicContact CD1-CB 4.23Å; F34-A60 HydrophobicContact CE1-CB 3.55Å; F34-A60 HydrophobicContact CZ-CB 3.72Å; F34-L65 HydrophobicContact CB-CD2 4.22Å; F34-L65 HydrophobicContact CD1-CD2 4.39Å; F34-L65 HydrophobicContact CG-CD2 4.33Å; F34-I68 HydrophobicContact CB-CD1 3.53Å |
| 35 | D | 85.4 | Confident | 81.6 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 19% | 0.187 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 173.6 | -178.6 | 44.5 | 0 | 0 | 0 | 112.1 | R31 R32 V33 L38 H39 I68 Q72 | R31-D35 WeakPolarHBondContact O-CB 3.44Å; R31-D35 PolarHBondContact O-N 3.36Å; R32-D35 IonicContact CZ-OD2 2.73Å; R32-D35 IonicContact NH1-OD2 3.35Å; R32-D35 PolarHBondContact NH1-OD2 3.26Å; R32-D35 PolarHBondContact O-N 3.03Å; V33-D35 PolarHBondContact O-N 3Å; D35-L38 PolarHBondContact O-N 3.32Å; D35-H39 WeakPolarHBondContact O-CB 3.5Å; D35-H39 PolarHBondContact O-N 2.87Å; D35-I68 HydrophobicContact CB-CG2 3.91Å; D35-Q72 PolarHBondContact OD1-NE2 3.24Å |
| 36 | M | 84.9 | Confident | 82.4 | Confident | 94 Ų | 94 | 63 Ų | 63 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.5 | -70.5 | 174.6 | 70.1 | 0 | 0 | 112.6 | L28 R32 V33 F34 H39 C40 | L28-M36 HydrophobicContact CD2-SD 3.88Å; R32-M36 VanDerWaalsContact O-CG 3.32Å; R32-M36 WeakPolarHBondContact O-CG 3.23Å; R32-M36 PolarHBondContact O-N 3.38Å; V33-M36 PolarHBondContact O-N 3.25Å; F34-M36 VanDerWaalsContact C-N 3.33Å; F34-M36 PolarHBondContact O-N 3.13Å; M36-H39 PolarHBondContact O-N 2.93Å; M36-C40 PolarHBondContact O-N 3.07Å; M36-C40 PolarHBondContact O-SG 2.91Å; M36-C40 VanDerWaalsContact O-SG 3.38Å |
| 37 | I | 88.6 | Confident | 83.3 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.3 | -67.4 | 168.1 | 0 | 0 | 0 | 110 | F13 V33 F34 H39 C40 F41 F51 L54 L55 L58 | F13-I37 HydrophobicContact CD2-CD1 4.37Å; F13-I37 HydrophobicContact CE1-CG1 4.48Å; F13-I37 HydrophobicContact CE2-CD1 4.46Å; F13-I37 HydrophobicContact CE2-CG1 4.42Å; F13-I37 HydrophobicContact CG-CD1 4.45Å; F13-I37 HydrophobicContact CZ-CG1 4.25Å; V33-I37 HydrophobicContact CG1-CD1 4.11Å; V33-I37 WeakPolarHBondContact O-CG1 3.19Å; V33-I37 PolarHBondContact O-N 3.32Å; F34-I37 HydrophobicContact CD1-CD1 4.25Å; F34-I37 PolarHBondContact O-N 3.35Å; I37-H39 VanDerWaalsContact C-N 3.33Å; I37-H39 PolarHBondContact O-N 3.46Å; I37-C40 PolarHBondContact O-N 2.92Å; I37-F41 WeakPolarHBondContact O-CB 3.31Å; I37-F41 PolarHBondContact O-N 3.13Å; I37-F51 HydrophobicContact CG2-CD1 4.12Å; I37-L54 HydrophobicContact CD1-CD2 4.26Å; I37-L54 HydrophobicContact CG1-CD2 4.43Å; I37-L54 HydrophobicContact CG2-CD2 4.29Å; I37-L55 HydrophobicContact CG2-CD2 3.95Å; I37-L55 HydrophobicContact CG2-CG 4.29Å; I37-L58 HydrophobicContact CD1-CD1 3.6Å |
| 38 | L | 88 | Confident | 84.5 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 177.4 | -69.4 | -175.7 | 0 | 0 | 0 | 112.3 | F34 D35 F41 Q42 L55 L65 I68 I69 V85 L89 | F34-L38 WeakPolarHBondContact O-CG 3.34Å; F34-L38 PolarHBondContact O-N 3.13Å; D35-L38 PolarHBondContact O-N 3.32Å; L38-F41 HydrophobicContact CD2-CD1 4.41Å; L38-F41 WeakPolarHBondContact O-CB 3.34Å; L38-F41 PolarHBondContact O-N 2.81Å; L38-Q42 WeakPolarHBondContact O-CG 3.38Å; L38-Q42 PolarHBondContact O-N 3.4Å; L38-L55 HydrophobicContact CD2-CD1 4.36Å; L38-L65 HydrophobicContact CD1-CD2 4.23Å; L38-I68 HydrophobicContact CD1-CB 4.41Å; L38-I68 HydrophobicContact CD1-CG2 3.89Å; L38-I69 HydrophobicContact CD1-CG1 4.2Å; L38-V85 HydrophobicContact CD2-CG1 4.25Å; L38-L89 HydrophobicContact CD2-CD1 3.68Å; L38-L89 HydrophobicContact CD2-CD2 4.45Å |
| 39 | H | 86.1 | Confident | 85.3 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 175.7 | -169.5 | 67.5 | 0 | 0 | 0 | 111.6 | D35 M36 I37 F41 Q42 F43 | D35-H39 WeakPolarHBondContact O-CB 3.5Å; D35-H39 PolarHBondContact O-N 2.87Å; M36-H39 PolarHBondContact O-N 2.93Å; I37-H39 VanDerWaalsContact C-N 3.33Å; I37-H39 PolarHBondContact O-N 3.46Å; H39-F41 VanDerWaalsContact C-N 3.29Å; H39-F41 PolarHBondContact O-N 3.23Å; H39-Q42 WeakPolarHBondContact O-CB 3.46Å; H39-Q42 PolarHBondContact O-N 3.45Å; H39-F43 AromaticContact CE1-CE2 3.74Å; H39-F43 AromaticContact NE2-CE2 3.59Å; H39-F43 VanDerWaalsContact O-CD2 3.23Å; H39-F43 WeakPolarHBondContact O-CD2 3.37Å |
| 40 | C | 86.7 | Confident | 85.9 | Confident | 64 Ų | 64 | 60 Ų | 60 | 43% | 0.432 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 173.9 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | M36 I37 Q42 F43 H44 F51 | M36-C40 PolarHBondContact O-N 3.07Å; M36-C40 PolarHBondContact O-SG 2.91Å; M36-C40 VanDerWaalsContact O-SG 3.38Å; I37-C40 PolarHBondContact O-N 2.92Å; C40-Q42 VanDerWaalsContact C-N 3.26Å; C40-Q42 PolarHBondContact O-N 3.48Å; C40-F43 PolarHBondContact O-N 3.27Å; C40-F43 VanDerWaalsContact O-N 3.09Å; C40-H44 PolarHBondContact O-N 3.17Å; C40-F51 HydrophobicContact CB-CE1 4.12Å; C40-F51 HydrophobicContact CB-CZ 4.47Å |
| 41 | F | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 178.7 | -170 | -173 | 0 | 0 | 0 | 111.7 | I37 L38 H39 F43 H44 I45 F51 V85 I88 L89 | I37-F41 WeakPolarHBondContact O-CB 3.31Å; I37-F41 PolarHBondContact O-N 3.13Å; L38-F41 HydrophobicContact CD2-CD1 4.41Å; L38-F41 WeakPolarHBondContact O-CB 3.34Å; L38-F41 PolarHBondContact O-N 2.81Å; H39-F41 VanDerWaalsContact C-N 3.29Å; H39-F41 PolarHBondContact O-N 3.23Å; F41-F43 PolarHBondContact O-N 2.72Å; F41-H44 CarbonylContact O-C 3.47Å; F41-H44 PolarHBondContact O-N 3.21Å; F41-H44 VanDerWaalsContact O-N 3.16Å; F41-I45 PolarHBondContact O-N 3.33Å; F41-F51 HydrophobicContact CB-CB 4.4Å; F41-F51 HydrophobicContact CB-CD1 3.82Å; F41-F51 HydrophobicContact CB-CD2 4.24Å; F41-F51 HydrophobicContact CB-CE1 4.1Å; F41-F51 HydrophobicContact CB-CG 3.9Å; F41-F51 HydrophobicContact CB-CZ 4.44Å; F41-F51 HydrophobicContact CD1-CB 3.82Å; F41-F51 HydrophobicContact CD1-CG 4.21Å; F41-F51 HydrophobicContact CD2-CB 3.89Å; F41-F51 HydrophobicContact CD2-CD1 4.44Å; F41-F51 AromaticContact CD2-CD2 3.41Å; F41-F51 HydrophobicContact CD2-CD2 3.41Å; F41-F51 VanDerWaalsContact CD2-CD2 3.41Å; F41-F51 HydrophobicContact CD2-CE2 4.02Å; F41-F51 AromaticContact CD2-CG 3.66Å; F41-F51 HydrophobicContact CD2-CG 3.66Å; F41-F51 HydrophobicContact CE1-CB 4.01Å; F41-F51 HydrophobicContact CE2-CB 4.12Å; F41-F51 AromaticContact CE2-CD2 3.97Å; F41-F51 HydrophobicContact CE2-CD2 3.97Å; F41-F51 HydrophobicContact CE2-CG 4.28Å; F41-F51 HydrophobicContact CG-CB 3.78Å; F41-F51 HydrophobicContact CG-CD1 4.1Å; F41-F51 AromaticContact CG-CD2 3.9Å; F41-F51 HydrophobicContact CG-CD2 3.9Å; F41-F51 AromaticContact CG-CG 3.65Å; F41-F51 HydrophobicContact CG-CG 3.65Å; F41-F51 HydrophobicContact CZ-CB 4.17Å; F41-V85 HydrophobicContact CB-CG2 4.3Å; F41-V85 HydrophobicContact CD1-CB 4.42Å; F41-V85 HydrophobicContact CD1-CG1 3.58Å; F41-V85 HydrophobicContact CD1-CG2 4.1Å; F41-V85 HydrophobicContact CD2-CG2 4.07Å; F41-V85 HydrophobicContact CE1-CG1 3.87Å; F41-V85 HydrophobicContact CE1-CG2 4.42Å; F41-V85 HydrophobicContact CE2-CG2 4.35Å; F41-V85 HydrophobicContact CG-CG1 4.16Å; F41-V85 HydrophobicContact CG-CG2 3.89Å; F41-I88 HydrophobicContact CE2-CD1 4.13Å; F41-I88 HydrophobicContact CZ-CB 4.18Å; F41-I88 HydrophobicContact CZ-CD1 3.88Å; F41-I88 HydrophobicContact CZ-CG2 3.9Å; F41-L89 HydrophobicContact CE1-CD2 4.21Å; F41-L89 HydrophobicContact CE1-CG 4.47Å |
| 42 | Q | 86.5 | Confident | 87 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 11% | 0.112 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -23.7 | 176.2 | -67.5 | 169.5 | 44.5 | 0 | 0 | 114 | L38 H39 C40 Q72 S81 F82 V85 | L38-Q42 WeakPolarHBondContact O-CG 3.38Å; L38-Q42 PolarHBondContact O-N 3.4Å; H39-Q42 WeakPolarHBondContact O-CB 3.46Å; H39-Q42 PolarHBondContact O-N 3.45Å; C40-Q42 VanDerWaalsContact C-N 3.26Å; C40-Q42 PolarHBondContact O-N 3.48Å; Q42-Q72 VanDerWaalsContact NE2-OE1 3.17Å; Q42-S81 WeakPolarHBondContact O-CB 3.49Å; Q42-S81 PolarHBondContact O-OG 3.35Å; Q42-F82 HydrophobicContact CG-CD2 4.5Å; Q42-V85 HydrophobicContact CB-CG2 4.44Å; Q42-V85 HydrophobicContact CG-CB 4.48Å; Q42-V85 HydrophobicContact CG-CG2 3.89Å |
| 43 | F | 85.6 | Confident | 87.3 | Confident | 140 Ų | 140 | 50.1 Ų | 50.1 | 61% | 0.614 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -95.9 | -10.9 | 178.5 | -66.4 | -79.4 | 0 | 0 | 0 | 113.6 | H39 C40 F41 | H39-F43 AromaticContact CE1-CE2 3.74Å; H39-F43 AromaticContact NE2-CE2 3.59Å; H39-F43 VanDerWaalsContact O-CD2 3.23Å; H39-F43 WeakPolarHBondContact O-CD2 3.37Å; C40-F43 PolarHBondContact O-N 3.27Å; C40-F43 VanDerWaalsContact O-N 3.09Å; F41-F43 PolarHBondContact O-N 2.72Å |
| 44 | H | 86.3 | Confident | 87.5 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 32% | 0.324 | 25% | 0.249 | S | C | . | . | trans | -135.3 | 47.1 | -173.6 | -66.4 | -59.8 | 0 | 0 | 0 | 112 | C40 F41 E46 Q47 F51 | C40-H44 PolarHBondContact O-N 3.17Å; F41-H44 CarbonylContact O-C 3.47Å; F41-H44 PolarHBondContact O-N 3.21Å; F41-H44 VanDerWaalsContact O-N 3.16Å; H44-E46 WeakPolarHBondContact CA-OE1 3.46Å; H44-E46 IonicContact CG-OE1 2.98Å; H44-E46 IonicContact ND1-OE1 3.31Å; H44-E46 PolarHBondContact ND1-OE1 3.17Å; H44-E46 PolarHBondContact O-N 2.88Å; H44-Q47 PolarHBondContact O-N 3.34Å; H44-F51 HydrophobicContact CB-CE2 3.69Å; H44-F51 HydrophobicContact CB-CZ 3.93Å; H44-F51 WeakPolarHBondContact O-CE2 3.45Å | ||
| 45 | I | 84.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -59.2 | -33.8 | -175.8 | -66.6 | 166.5 | 0 | 0 | 0 | 111.6 | F41 Q47 Y48 D84 V85 I88 | F41-I45 PolarHBondContact O-N 3.33Å; I45-Q47 PolarHBondContact O-N 3.1Å; I45-Q47 VanDerWaalsContact O-N 3.13Å; I45-Y48 WeakPolarHBondContact O-CB 3.38Å; I45-Y48 PolarHBondContact O-N 3.19Å; I45-D84 HydrophobicContact CD1-CB 3.82Å; I45-V85 HydrophobicContact CG1-CG2 4.29Å; I45-I88 HydrophobicContact CG2-CD1 3.87Å |
| 46 | E | 84.5 | Confident | 87.9 | Confident | 130 Ų | 130 | 54.2 Ų | 54.2 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -59.1 | -22.9 | 177.3 | 68.2 | -69.3 | 163.7 | 0 | 0 | 113.6 | H44 | H44-E46 WeakPolarHBondContact CA-OE1 3.46Å; H44-E46 IonicContact CG-OE1 2.98Å; H44-E46 IonicContact ND1-OE1 3.31Å; H44-E46 PolarHBondContact ND1-OE1 3.17Å; H44-E46 PolarHBondContact O-N 2.88Å |
| 47 | Q | 86.6 | Confident | 88 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -99.2 | 24.1 | 177.1 | -55.3 | -173 | 3.1 | 0 | 0 | 112.6 | H44 I45 A49 F50 F51 | H44-Q47 PolarHBondContact O-N 3.34Å; I45-Q47 PolarHBondContact O-N 3.1Å; I45-Q47 VanDerWaalsContact O-N 3.13Å; Q47-A49 PolarHBondContact O-N 2.98Å; Q47-F50 WeakPolarHBondContact O-CB 3.4Å; Q47-F50 PolarHBondContact O-N 3.29Å; Q47-F51 HydrophobicContact CB-CD2 4.46Å; Q47-F51 HydrophobicContact CB-CE2 4.14Å; Q47-F51 WeakPolarHBondContact O-CD2 3.21Å; Q47-F51 PolarHBondContact O-N 2.83Å |
| 48 | Y | 89.2 | Confident | 88 | Confident | 111 Ų | 111 | 52.8 Ų | 52.8 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -50.9 | -35.3 | -174 | 72.1 | -86.1 | 0 | 0 | 0 | 115 | I45 F50 F51 V52 I88 H92 | I45-Y48 WeakPolarHBondContact O-CB 3.38Å; I45-Y48 PolarHBondContact O-N 3.19Å; Y48-F50 VanDerWaalsContact C-N 3.3Å; Y48-F50 PolarHBondContact O-N 3.4Å; Y48-F51 PolarHBondContact O-N 2.78Å; Y48-F51 VanDerWaalsContact O-N 3.13Å; Y48-V52 WeakPolarHBondContact O-CB 3.48Å; Y48-V52 VanDerWaalsContact O-CG2 3.29Å; Y48-V52 WeakPolarHBondContact O-CG2 3.31Å; Y48-V52 PolarHBondContact O-N 3.07Å; Y48-I88 HydrophobicContact CD2-CG2 4.07Å; Y48-I88 HydrophobicContact CG-CD1 4.4Å; Y48-I88 HydrophobicContact CG-CG2 4.42Å; Y48-H92 AromaticContact CD2-NE2 3.97Å; Y48-H92 AromaticContact CE2-NE2 3.83Å |
| 49 | A | 88.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q47 F51 V52 D53 | Q47-A49 PolarHBondContact O-N 2.98Å; A49-F51 PolarHBondContact O-N 2.91Å; A49-V52 PolarHBondContact O-N 3.09Å; A49-D53 WeakPolarHBondContact O-CB 3.48Å; A49-D53 VanDerWaalsContact O-CG 3.28Å; A49-D53 PolarHBondContact O-N 3.35Å |
| 50 | F | 89 | Confident | 87.9 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 175 | 168.6 | -89.6 | 0 | 0 | 0 | 111.4 | L2 P6 F9 Q47 Y48 D53 L54 | L2-F50 HydrophobicContact CD2-CD1 3.56Å; L2-F50 HydrophobicContact CD2-CE1 3.11Å; L2-F50 HydrophobicContact CD2-CE2 4.36Å; L2-F50 HydrophobicContact CD2-CG 4.39Å; L2-F50 HydrophobicContact CD2-CZ 3.57Å; P6-F50 HydrophobicContact CB-CE2 4.39Å; F9-F50 HydrophobicContact CB-CZ 4.37Å; F9-F50 AromaticContact CD2-CE2 3.8Å; F9-F50 HydrophobicContact CD2-CE2 3.8Å; F9-F50 AromaticContact CD2-CZ 3.59Å; F9-F50 HydrophobicContact CD2-CZ 3.59Å; F9-F50 HydrophobicContact CE2-CE2 4.09Å; F9-F50 AromaticContact CE2-CZ 3.84Å; F9-F50 HydrophobicContact CE2-CZ 3.84Å; F9-F50 HydrophobicContact CG-CE2 4.49Å; F9-F50 AromaticContact CG-CZ 3.93Å; F9-F50 HydrophobicContact CG-CZ 3.93Å; F9-F50 HydrophobicContact CZ-CZ 4.39Å; Q47-F50 WeakPolarHBondContact O-CB 3.4Å; Q47-F50 PolarHBondContact O-N 3.29Å; Y48-F50 VanDerWaalsContact C-N 3.3Å; Y48-F50 PolarHBondContact O-N 3.4Å; F50-D53 PolarHBondContact O-N 3.5Å; F50-L54 HydrophobicContact CE1-CD2 3.9Å; F50-L54 HydrophobicContact CZ-CD2 4.12Å; F50-L54 WeakPolarHBondContact O-CB 3.42Å; F50-L54 PolarHBondContact O-N 3.48Å |
| 51 | F | 90.9 | Very high | 87.7 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.1 | -38.3 | -179.2 | -68.5 | -78 | 0 | 0 | 0 | 112.3 | L2 I37 C40 F41 H44 Q47 Y48 A49 L54 L55 | L2-F51 HydrophobicContact CD1-CZ 4.49Å; L2-F51 HydrophobicContact CD2-CZ 4.23Å; I37-F51 HydrophobicContact CG2-CD1 4.12Å; C40-F51 HydrophobicContact CB-CE1 4.12Å; C40-F51 HydrophobicContact CB-CZ 4.47Å; F41-F51 HydrophobicContact CB-CB 4.4Å; F41-F51 HydrophobicContact CB-CD1 3.82Å; F41-F51 HydrophobicContact CB-CD2 4.24Å; F41-F51 HydrophobicContact CB-CE1 4.1Å; F41-F51 HydrophobicContact CB-CG 3.9Å; F41-F51 HydrophobicContact CB-CZ 4.44Å; F41-F51 HydrophobicContact CD1-CB 3.82Å; F41-F51 HydrophobicContact CD1-CG 4.21Å; F41-F51 HydrophobicContact CD2-CB 3.89Å; F41-F51 HydrophobicContact CD2-CD1 4.44Å; F41-F51 AromaticContact CD2-CD2 3.41Å; F41-F51 HydrophobicContact CD2-CD2 3.41Å; F41-F51 VanDerWaalsContact CD2-CD2 3.41Å; F41-F51 HydrophobicContact CD2-CE2 4.02Å; F41-F51 AromaticContact CD2-CG 3.66Å; F41-F51 HydrophobicContact CD2-CG 3.66Å; F41-F51 HydrophobicContact CE1-CB 4.01Å; F41-F51 HydrophobicContact CE2-CB 4.12Å; F41-F51 AromaticContact CE2-CD2 3.97Å; F41-F51 HydrophobicContact CE2-CD2 3.97Å; F41-F51 HydrophobicContact CE2-CG 4.28Å; F41-F51 HydrophobicContact CG-CB 3.78Å; F41-F51 HydrophobicContact CG-CD1 4.1Å; F41-F51 AromaticContact CG-CD2 3.9Å; F41-F51 HydrophobicContact CG-CD2 3.9Å; F41-F51 AromaticContact CG-CG 3.65Å; F41-F51 HydrophobicContact CG-CG 3.65Å; F41-F51 HydrophobicContact CZ-CB 4.17Å; H44-F51 HydrophobicContact CB-CE2 3.69Å; H44-F51 HydrophobicContact CB-CZ 3.93Å; H44-F51 WeakPolarHBondContact O-CE2 3.45Å; Q47-F51 HydrophobicContact CB-CD2 4.46Å; Q47-F51 HydrophobicContact CB-CE2 4.14Å; Q47-F51 WeakPolarHBondContact O-CD2 3.21Å; Q47-F51 PolarHBondContact O-N 2.83Å; Y48-F51 PolarHBondContact O-N 2.78Å; Y48-F51 VanDerWaalsContact O-N 3.13Å; A49-F51 PolarHBondContact O-N 2.91Å; F51-L54 PolarHBondContact O-N 3.33Å; F51-L55 WeakPolarHBondContact O-CB 3.42Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.35Å |
| 52 | V | 90.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 176 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | Y48 A49 L54 L55 R56 I88 H92 L94 | Y48-V52 WeakPolarHBondContact O-CB 3.48Å; Y48-V52 VanDerWaalsContact O-CG2 3.29Å; Y48-V52 WeakPolarHBondContact O-CG2 3.31Å; Y48-V52 PolarHBondContact O-N 3.07Å; A49-V52 PolarHBondContact O-N 3.09Å; V52-L54 VanDerWaalsContact C-N 3.35Å; V52-L55 PolarHBondContact O-N 3.15Å; V52-R56 WeakPolarHBondContact O-CG 3.4Å; V52-R56 PolarHBondContact O-N 2.82Å; V52-I88 HydrophobicContact CG2-CG2 4.05Å; V52-H92 HydrophobicContact CG1-CB 4Å; V52-H92 HydrophobicContact CG2-CB 4.41Å; V52-L94 HydrophobicContact CG1-CD1 4.16Å; V52-L94 HydrophobicContact CG2-CD1 4.45Å |
| 53 | D | 89.1 | Confident | 87.3 | Confident | 89 Ų | 89 | 60.3 Ų | 60.3 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 177.9 | -70.6 | -21 | 0 | 0 | 0 | 111.4 | A49 F50 R56 A57 | A49-D53 WeakPolarHBondContact O-CB 3.48Å; A49-D53 VanDerWaalsContact O-CG 3.28Å; A49-D53 PolarHBondContact O-N 3.35Å; F50-D53 PolarHBondContact O-N 3.5Å; D53-R56 PolarHBondContact O-N 3.02Å; D53-A57 VanDerWaalsContact O-CB 3.26Å; D53-A57 WeakPolarHBondContact O-CB 3.47Å; D53-A57 PolarHBondContact O-N 3.31Å |
| 54 | L | 89 | Confident | 87.2 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.7 | -179.7 | 62.4 | 0 | 0 | 0 | 111.7 | F9 V10 F13 I37 F50 F51 V52 R56 A57 L58 | F9-L54 HydrophobicContact CB-CD1 3.86Å; V10-L54 HydrophobicContact CG2-CD1 3.92Å; F13-L54 HydrophobicContact CD2-CD1 4.1Å; F13-L54 HydrophobicContact CD2-CD2 4.17Å; F13-L54 HydrophobicContact CE2-CD2 3.89Å; I37-L54 HydrophobicContact CD1-CD2 4.26Å; I37-L54 HydrophobicContact CG1-CD2 4.43Å; I37-L54 HydrophobicContact CG2-CD2 4.29Å; F50-L54 HydrophobicContact CE1-CD2 3.9Å; F50-L54 HydrophobicContact CZ-CD2 4.12Å; F50-L54 WeakPolarHBondContact O-CB 3.42Å; F50-L54 PolarHBondContact O-N 3.48Å; F51-L54 PolarHBondContact O-N 3.33Å; V52-L54 VanDerWaalsContact C-N 3.35Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 3.43Å; L54-A57 PolarHBondContact O-N 3.34Å; L54-L58 HydrophobicContact CD1-CD1 3.94Å; L54-L58 HydrophobicContact CD1-CG 4.22Å; L54-L58 HydrophobicContact CG-CD1 4.04Å; L54-L58 WeakPolarHBondContact O-CB 3.31Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 2.92Å |
| 55 | L | 91.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 178.4 | -73.4 | 171 | 0 | 0 | 0 | 111.8 | F34 I37 L38 F51 V52 L58 D59 A60 L65 L89 L94 | F34-L55 HydrophobicContact CD1-CD2 3.59Å; F34-L55 HydrophobicContact CE1-CD2 3.89Å; I37-L55 HydrophobicContact CG2-CD2 3.95Å; I37-L55 HydrophobicContact CG2-CG 4.29Å; L38-L55 HydrophobicContact CD2-CD1 4.36Å; F51-L55 WeakPolarHBondContact O-CB 3.42Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.35Å; V52-L55 PolarHBondContact O-N 3.15Å; L55-L58 PolarHBondContact O-N 3.24Å; L55-D59 PolarHBondContact O-N 2.82Å; L55-A60 HydrophobicContact CB-CB 4.14Å; L55-A60 HydrophobicContact CD2-CB 4.17Å; L55-A60 VanDerWaalsContact O-CB 3.23Å; L55-A60 WeakPolarHBondContact O-CB 3.29Å; L55-A60 PolarHBondContact O-N 3.43Å; L55-L65 HydrophobicContact CD2-CD2 4.31Å; L55-L89 HydrophobicContact CD1-CD2 3.56Å; L55-L94 HydrophobicContact CB-CD1 3.99Å; L55-L94 HydrophobicContact CD1-CD1 4.03Å |
| 56 | R | 90.5 | Very high | 87.1 | Confident | 127 Ų | 127 | 51.3 Ų | 51.3 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 175.2 | -74.3 | 176.7 | 174.3 | -177.9 | -3.8 | 112.2 | V52 D53 L54 L58 D59 H92 L94 | V52-R56 WeakPolarHBondContact O-CG 3.4Å; V52-R56 PolarHBondContact O-N 2.82Å; D53-R56 PolarHBondContact O-N 3.02Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 3.43Å; R56-L58 PolarHBondContact O-N 3.07Å; R56-D59 PolarHBondContact O-N 3.34Å; R56-D59 VanDerWaalsContact O-N 3.16Å; R56-H92 PolarHBondContact NH2-O 3.28Å; R56-L94 HydrophobicContact CG-CD2 4.06Å |
| 57 | A | 86.8 | Confident | 86.9 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 44% | 0.438 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.6 | -20.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V10 D53 L54 | V10-A57 HydrophobicContact CB-CB 4.5Å; V10-A57 HydrophobicContact CG1-CB 4.19Å; V10-A57 HydrophobicContact CG2-CB 3.44Å; V10-A57 VanDerWaalsContact CG2-CB 3.44Å; D53-A57 VanDerWaalsContact O-CB 3.26Å; D53-A57 WeakPolarHBondContact O-CB 3.47Å; D53-A57 PolarHBondContact O-N 3.31Å; L54-A57 PolarHBondContact O-N 3.34Å |
| 58 | L | 87.6 | Confident | 86.6 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 11.1 | 173.7 | -63.8 | 176.2 | 0 | 0 | 0 | 113.3 | V10 F13 M17 F34 I37 L54 L55 R56 A60 | V10-L58 HydrophobicContact CG1-CD2 4.3Å; F13-L58 HydrophobicContact CB-CD1 3.77Å; F13-L58 HydrophobicContact CB-CD2 3.84Å; F13-L58 HydrophobicContact CB-CG 4.48Å; F13-L58 HydrophobicContact CD2-CD1 4.27Å; F13-L58 HydrophobicContact CG-CD1 4.26Å; M17-L58 HydrophobicContact CE-CB 4.19Å; M17-L58 HydrophobicContact CE-CD2 3.66Å; M17-L58 HydrophobicContact CE-CG 4.35Å; F34-L58 HydrophobicContact CE1-CB 3.95Å; F34-L58 HydrophobicContact CE1-CD1 4.34Å; F34-L58 HydrophobicContact CZ-CB 4.13Å; I37-L58 HydrophobicContact CD1-CD1 3.6Å; L54-L58 HydrophobicContact CD1-CD1 3.94Å; L54-L58 HydrophobicContact CD1-CG 4.22Å; L54-L58 HydrophobicContact CG-CD1 4.04Å; L54-L58 WeakPolarHBondContact O-CB 3.31Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 2.92Å; L55-L58 PolarHBondContact O-N 3.24Å; R56-L58 PolarHBondContact O-N 3.07Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 3.25Å |
| 59 | D | 85.2 | Confident | 86.2 | Confident | 150 Ų | 150 | 40.8 Ų | 40.8 | 80% | 0.802 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.8 | -177.8 | -65.7 | -43.7 | 0 | 0 | 0 | 113.2 | L55 R56 D61 | L55-D59 PolarHBondContact O-N 2.82Å; R56-D59 PolarHBondContact O-N 3.34Å; R56-D59 VanDerWaalsContact O-N 3.16Å; D59-D61 PolarHBondContact O-N 3.49Å; D59-D61 VanDerWaalsContact O-N 3.16Å |
| 60 | A | 87.4 | Confident | 85.5 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | trans | -62.1 | 118.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F34 L55 L58 L65 | F34-A60 HydrophobicContact CD1-CB 4.23Å; F34-A60 HydrophobicContact CE1-CB 3.55Å; F34-A60 HydrophobicContact CZ-CB 3.72Å; L55-A60 HydrophobicContact CB-CB 4.14Å; L55-A60 HydrophobicContact CD2-CB 4.17Å; L55-A60 VanDerWaalsContact O-CB 3.23Å; L55-A60 WeakPolarHBondContact O-CB 3.29Å; L55-A60 PolarHBondContact O-N 3.43Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 3.25Å; A60-L65 HydrophobicContact CB-CD1 3.82Å; A60-L65 HydrophobicContact CB-CD2 4.44Å; A60-L65 HydrophobicContact CB-CG 4.21Å | ||
| 61 | D | 83.5 | Confident | 84.6 | Confident | 96 Ų | 96 | 41.4 Ų | 41.4 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | trans | -77.4 | 132.8 | 175.2 | 175 | 22.3 | 0 | 0 | 0 | 111.3 | D59 A63 M64 L65 | D59-D61 PolarHBondContact O-N 3.49Å; D59-D61 VanDerWaalsContact O-N 3.16Å; D61-A63 VanDerWaalsContact C-N 3.28Å; D61-A63 PolarHBondContact O-N 3.39Å; D61-A63 PolarHBondContact OD1-N 2.88Å; D61-M64 HydrophobicContact CB-CB 4.11Å; D61-M64 WeakPolarHBondContact O-CB 3.34Å; D61-M64 PolarHBondContact O-N 3.39Å; D61-M64 VanDerWaalsContact O-N 3.09Å; D61-L65 PolarHBondContact O-N 3.44Å | ||
| 62 | A | 85 | Confident | 83.8 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -35.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M64 N66 L94 | A62-M64 VanDerWaalsContact C-N 3.32Å; A62-M64 PolarHBondContact O-N 2.79Å; A62-N66 VanDerWaalsContact O-CB 3.25Å; A62-N66 WeakPolarHBondContact O-CB 3.27Å; A62-N66 VanDerWaalsContact O-CG 3.27Å; A62-N66 PolarHBondContact O-N 2.98Å; A62-L94 WeakPolarHBondContact CA-O 3.19Å |
| 63 | A | 81.2 | Confident | 82.6 | Confident | 55 Ų | 55 | 42.9 Ų | 42.9 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.5 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D61 Y67 | D61-A63 VanDerWaalsContact C-N 3.28Å; D61-A63 PolarHBondContact O-N 3.39Å; D61-A63 PolarHBondContact OD1-N 2.88Å; A63-Y67 PolarHBondContact O-N 3.44Å; A63-Y67 VanDerWaalsContact O-N 3.12Å |
| 64 | M | 83.4 | Confident | 81.1 | Confident | 59 Ų | 59 | 42 Ų | 42 | 29% | 0.291 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.1 | -48.4 | 175.9 | -171.3 | 69 | 81.9 | 0 | 0 | 111.7 | R31 D61 A62 N66 Y67 I68 | R31-M64 HydrophobicContact CG-CE 4.03Å; R31-M64 HydrophobicContact CG-CG 4.34Å; R31-M64 HydrophobicContact CG-SD 3.3Å; R31-M64 WeakPolarHBondContact CG-SD 3.39Å; D61-M64 HydrophobicContact CB-CB 4.11Å; D61-M64 WeakPolarHBondContact O-CB 3.34Å; D61-M64 PolarHBondContact O-N 3.39Å; D61-M64 VanDerWaalsContact O-N 3.09Å; A62-M64 VanDerWaalsContact C-N 3.32Å; A62-M64 PolarHBondContact O-N 2.79Å; M64-N66 VanDerWaalsContact C-N 3.34Å; M64-N66 PolarHBondContact O-N 3.21Å; M64-Y67 WeakPolarHBondContact O-CB 3.45Å; M64-Y67 PolarHBondContact O-N 2.66Å; M64-Y67 VanDerWaalsContact O-N 3.16Å; M64-I68 HydrophobicContact CG-CD1 4.26Å; M64-I68 WeakPolarHBondContact O-CG1 3.5Å; M64-I68 PolarHBondContact O-N 3.28Å |
| 65 | L | 86.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 178.1 | -70 | 179.4 | 0 | 0 | 0 | 111.1 | F34 L38 L55 A60 D61 Y67 I68 I69 L94 | F34-L65 HydrophobicContact CB-CD2 4.22Å; F34-L65 HydrophobicContact CD1-CD2 4.39Å; F34-L65 HydrophobicContact CG-CD2 4.33Å; L38-L65 HydrophobicContact CD1-CD2 4.23Å; L55-L65 HydrophobicContact CD2-CD2 4.31Å; A60-L65 HydrophobicContact CB-CD1 3.82Å; A60-L65 HydrophobicContact CB-CD2 4.44Å; A60-L65 HydrophobicContact CB-CG 4.21Å; D61-L65 PolarHBondContact O-N 3.44Å; L65-Y67 VanDerWaalsContact C-N 3.28Å; L65-Y67 PolarHBondContact O-N 3Å; L65-I68 PolarHBondContact O-N 3.49Å; L65-I68 VanDerWaalsContact O-N 3.14Å; L65-I69 WeakPolarHBondContact O-CB 3.35Å; L65-I69 VanDerWaalsContact O-CG1 3.23Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 2.99Å; L65-L94 HydrophobicContact CD1-CB 4Å; L65-L94 VanDerWaalsContact CD1-O 3.28Å; L65-L94 WeakPolarHBondContact CD1-O 3.41Å |
| 66 | N | 83.4 | Confident | 77.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 174.4 | -82.8 | 1.6 | 0 | 0 | 0 | 113.2 | A62 M64 T70 A95 D96 F99 L100 | A62-N66 VanDerWaalsContact O-CB 3.25Å; A62-N66 WeakPolarHBondContact O-CB 3.27Å; A62-N66 VanDerWaalsContact O-CG 3.27Å; A62-N66 PolarHBondContact O-N 2.98Å; M64-N66 VanDerWaalsContact C-N 3.34Å; M64-N66 PolarHBondContact O-N 3.21Å; N66-T70 VanDerWaalsContact O-CB 3.31Å; N66-T70 WeakPolarHBondContact O-CB 3.36Å; N66-T70 PolarHBondContact O-N 3.29Å; N66-T70 PolarHBondContact O-OG1 3.33Å; N66-A95 WeakPolarHBondContact OD1-CA 3.32Å; N66-A95 VanDerWaalsContact OD1-CB 3.28Å; N66-A95 WeakPolarHBondContact OD1-CB 3.4Å; N66-D96 WeakPolarHBondContact ND2-CB 3.31Å; N66-D96 PolarHBondContact ND2-N 3.38Å; N66-D96 VanDerWaalsContact ND2-N 3.16Å; N66-D96 PolarHBondContact ND2-O 3Å; N66-D96 PolarHBondContact OD1-N 2.99Å; N66-F99 HydrophobicContact CB-CD1 3.56Å; N66-F99 HydrophobicContact CB-CE1 3.8Å; N66-F99 HydrophobicContact CB-CG 4.36Å; N66-F99 WeakPolarHBondContact ND2-CB 3.37Å; N66-L100 HydrophobicContact CB-CD2 4.33Å |
| 67 | Y | 79.5 | Confident | 75.3 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 174.3 | 176.9 | -98.8 | 0 | 0 | 0 | 112 | A63 M64 L65 T70 L71 | A63-Y67 PolarHBondContact O-N 3.44Å; A63-Y67 VanDerWaalsContact O-N 3.12Å; M64-Y67 WeakPolarHBondContact O-CB 3.45Å; M64-Y67 PolarHBondContact O-N 2.66Å; M64-Y67 VanDerWaalsContact O-N 3.16Å; L65-Y67 VanDerWaalsContact C-N 3.28Å; L65-Y67 PolarHBondContact O-N 3Å; Y67-T70 WeakPolarHBondContact O-CB 3.43Å; Y67-T70 PolarHBondContact O-N 3.13Å; Y67-L71 HydrophobicContact CD1-CD1 4Å; Y67-L71 HydrophobicContact CE1-CD1 3.36Å; Y67-L71 HydrophobicContact CE1-CG 4.18Å; Y67-L71 WeakPolarHBondContact O-CG 3.26Å; Y67-L71 PolarHBondContact O-N 3.46Å |
| 68 | I | 80.8 | Confident | 73.8 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -46 | 178.4 | -63.9 | 167.1 | 0 | 0 | 0 | 110.9 | R31 F34 D35 L38 M64 L65 T70 L71 Q72 | R31-I68 WeakPolarHBondContact O-CD1 3.37Å; F34-I68 HydrophobicContact CB-CD1 3.53Å; D35-I68 HydrophobicContact CB-CG2 3.91Å; L38-I68 HydrophobicContact CD1-CB 4.41Å; L38-I68 HydrophobicContact CD1-CG2 3.89Å; M64-I68 HydrophobicContact CG-CD1 4.26Å; M64-I68 WeakPolarHBondContact O-CG1 3.5Å; M64-I68 PolarHBondContact O-N 3.28Å; L65-I68 PolarHBondContact O-N 3.49Å; L65-I68 VanDerWaalsContact O-N 3.14Å; I68-T70 VanDerWaalsContact C-N 3.26Å; I68-T70 PolarHBondContact O-N 2.98Å; I68-L71 WeakPolarHBondContact O-CB 3.49Å; I68-L71 PolarHBondContact O-N 3.06Å; I68-L71 VanDerWaalsContact O-N 3.08Å; I68-Q72 HydrophobicContact CG2-CG 4.48Å; I68-Q72 PolarHBondContact O-N 3.1Å |
| 69 | I | 81.1 | Confident | 72.8 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -44.2 | 175.4 | -68.6 | 164.6 | 0 | 0 | 0 | 110.3 | L38 L65 L71 Q72 N73 F82 I86 L89 A95 L100 | L38-I69 HydrophobicContact CD1-CG1 4.2Å; L65-I69 WeakPolarHBondContact O-CB 3.35Å; L65-I69 VanDerWaalsContact O-CG1 3.23Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 2.99Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 2.93Å; I69-Q72 PolarHBondContact O-N 3.33Å; I69-N73 WeakPolarHBondContact O-CB 3.28Å; I69-N73 PolarHBondContact O-N 2.79Å; I69-F82 HydrophobicContact CG2-CZ 4.03Å; I69-I86 HydrophobicContact CG2-CD1 3.7Å; I69-I86 HydrophobicContact CG2-CG1 3.77Å; I69-L89 HydrophobicContact CD1-CD1 3.83Å; I69-A95 HydrophobicContact CD1-CB 4.15Å; I69-L100 HydrophobicContact CB-CD2 4.29Å; I69-L100 HydrophobicContact CG2-CD2 3.84Å |
| 70 | T | 73.5 | Confident | 72 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 112 | N66 Y67 I68 L74 L127 | N66-T70 VanDerWaalsContact O-CB 3.31Å; N66-T70 WeakPolarHBondContact O-CB 3.36Å; N66-T70 PolarHBondContact O-N 3.29Å; N66-T70 PolarHBondContact O-OG1 3.33Å; Y67-T70 WeakPolarHBondContact O-CB 3.43Å; Y67-T70 PolarHBondContact O-N 3.13Å; I68-T70 VanDerWaalsContact C-N 3.26Å; I68-T70 PolarHBondContact O-N 2.98Å; T70-L74 WeakPolarHBondContact O-CG 3.25Å; T70-L74 PolarHBondContact O-N 3.3Å; T70-L127 HydrophobicContact CG2-CD2 3.17Å |
| 71 | L | 70.7 | Confident | 71.5 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 38% | 0.377 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 177 | -71.8 | 177 | 0 | 0 | 0 | 112.5 | Y67 I68 I69 N73 L74 | Y67-L71 HydrophobicContact CD1-CD1 4Å; Y67-L71 HydrophobicContact CE1-CD1 3.36Å; Y67-L71 HydrophobicContact CE1-CG 4.18Å; Y67-L71 WeakPolarHBondContact O-CG 3.26Å; Y67-L71 PolarHBondContact O-N 3.46Å; I68-L71 WeakPolarHBondContact O-CB 3.49Å; I68-L71 PolarHBondContact O-N 3.06Å; I68-L71 VanDerWaalsContact O-N 3.08Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 2.93Å; L71-N73 VanDerWaalsContact C-N 3.29Å; L71-N73 PolarHBondContact O-N 3Å; L71-L74 HydrophobicContact CD2-CD1 4.49Å; L71-L74 PolarHBondContact O-N 3.22Å |
| 72 | Q | 72.7 | Confident | 71.6 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 177.4 | -72.5 | -172.3 | -13.8 | 0 | 0 | 111.7 | D35 Q42 I68 I69 L74 C75 F82 | D35-Q72 PolarHBondContact OD1-NE2 3.24Å; Q42-Q72 VanDerWaalsContact NE2-OE1 3.17Å; I68-Q72 HydrophobicContact CG2-CG 4.48Å; I68-Q72 PolarHBondContact O-N 3.1Å; I69-Q72 PolarHBondContact O-N 3.33Å; Q72-L74 VanDerWaalsContact C-N 3.3Å; Q72-L74 PolarHBondContact O-N 3.35Å; Q72-C75 WeakPolarHBondContact O-CB 3.44Å; Q72-C75 PolarHBondContact O-N 3.01Å; Q72-F82 HydrophobicContact CB-CE2 3.81Å; Q72-F82 HydrophobicContact CB-CZ 3.96Å; Q72-F82 VanDerWaalsContact OE1-CE2 3.25Å |
| 73 | N | 65.9 | Low | 71.6 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.9 | -22.8 | 179.3 | -167.3 | 45.9 | 0 | 0 | 0 | 113.9 | I69 L71 C75 F82 L127 H132 | I69-N73 WeakPolarHBondContact O-CB 3.28Å; I69-N73 PolarHBondContact O-N 2.79Å; L71-N73 VanDerWaalsContact C-N 3.29Å; L71-N73 PolarHBondContact O-N 3Å; N73-C75 PolarHBondContact O-N 2.7Å; N73-F82 HydrophobicContact CB-CE1 3.95Å; N73-F82 HydrophobicContact CB-CZ 4.13Å; N73-L127 PolarHBondContact ND2-O 2.79Å; N73-H132 PolarHBondContact OD1-CE1 2.67Å; N73-H132 PolarHBondContact OD1-ND1 2.81Å |
| 74 | L | 58.1 | Low | 71.9 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -14.1 | 173.8 | -72.2 | 165.4 | 0 | 0 | 0 | 112.7 | T70 L71 Q72 D76 F120 | T70-L74 WeakPolarHBondContact O-CG 3.25Å; T70-L74 PolarHBondContact O-N 3.3Å; L71-L74 HydrophobicContact CD2-CD1 4.49Å; L71-L74 PolarHBondContact O-N 3.22Å; Q72-L74 VanDerWaalsContact C-N 3.3Å; Q72-L74 PolarHBondContact O-N 3.35Å; L74-D76 PolarHBondContact O-N 3.05Å; L74-F120 HydrophobicContact CD2-CE1 3.97Å; L74-F120 HydrophobicContact CD2-CZ 4.2Å |
| 75 | C | 55.5 | Low | 72.2 | Confident | 89 Ų | 89 | 39.1 Ų | 39.1 | 60% | 0.601 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -87.6 | 101.7 | 170.7 | -59.6 | 0 | 0 | 0 | 0 | 108.2 | Q72 N73 A77 | Q72-C75 WeakPolarHBondContact O-CB 3.44Å; Q72-C75 PolarHBondContact O-N 3.01Å; N73-C75 PolarHBondContact O-N 2.7Å; C75-A77 PolarHBondContact O-N 3.34Å |
| 76 | D | 47.2 | Very low | 72.3 | Confident | 145 Ų | 145 | 39.2 Ų | 39.2 | 78% | 0.775 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -49.6 | 5.1 | -168.9 | -77.8 | -36.6 | 0 | 0 | 0 | 119.1 | L74 | L74-D76 PolarHBondContact O-N 3.05Š|
| 77 | A | 45.7 | Very low | 72.5 | Confident | 98 Ų | 98 | 39.1 Ų | 39.1 | 81% | 0.81 | 24% | 0.24 | S | C | * | . | trans | -117.1 | 44.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C75 A79 | C75-A77 PolarHBondContact O-N 3.34Å; A77-A79 PolarHBondContact O-N 3.28Å | ||
| 78 | T | 55.8 | Low | 73.1 | Confident | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | trans | -76.8 | 115 | 178.6 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | F82 | T78-F82 HydrophobicContact CG2-CB 4.34Å; T78-F82 HydrophobicContact CG2-CD1 3.4Å; T78-F82 VanDerWaalsContact CG2-CD1 3.4Å; T78-F82 HydrophobicContact CG2-CD2 4.41Å; T78-F82 HydrophobicContact CG2-CE1 3.63Å; T78-F82 HydrophobicContact CG2-CG 3.8Å; T78-F82 HydrophobicContact CG2-CZ 4.25Å | ||
| 79 | A | 66.1 | Low | 73.6 | Confident | 51 Ų | 51 | 36.4 Ų | 36.4 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | trans | -61.3 | 157.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A77 S81 F82 | A77-A79 PolarHBondContact O-N 3.28Å; A79-S81 WeakPolarHBondContact CB-OG 3.47Å; A79-S81 PolarHBondContact O-N 2.59Å; A79-S81 VanDerWaalsContact O-N 3.14Å; A79-F82 WeakPolarHBondContact O-CB 3.48Å; A79-F82 PolarHBondContact O-N 3.08Å | ||
| 80 | S | 68.4 | Low | 74.1 | Confident | 93 Ų | 93 | 36.6 Ų | 36.6 | 65% | 0.65 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -54.4 | -32.6 | 175.2 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | F82 F83 D84 | S80-F82 PolarHBondContact O-N 2.96Å; S80-F83 PolarHBondContact O-N 3.32Å; S80-D84 PolarHBondContact O-N 3.03Å |
| 81 | S | 78.8 | Confident | 74.9 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -27.8 | 174.8 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | Q42 A79 F83 D84 V85 | Q42-S81 WeakPolarHBondContact O-CB 3.49Å; Q42-S81 PolarHBondContact O-OG 3.35Å; A79-S81 WeakPolarHBondContact CB-OG 3.47Å; A79-S81 PolarHBondContact O-N 2.59Å; A79-S81 VanDerWaalsContact O-N 3.14Å; S81-F83 PolarHBondContact O-N 2.65Å; S81-D84 PolarHBondContact O-N 3.27Å; S81-V85 WeakPolarHBondContact O-CG2 3.46Å; S81-V85 PolarHBondContact O-N 2.93Å |
| 82 | F | 85 | Confident | 75.9 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.5 | 178 | -115 | 0 | 0 | 0 | 112 | Q42 I69 Q72 N73 T78 A79 S80 D84 V85 I86 | Q42-F82 HydrophobicContact CG-CD2 4.5Å; I69-F82 HydrophobicContact CG2-CZ 4.03Å; Q72-F82 HydrophobicContact CB-CE2 3.81Å; Q72-F82 HydrophobicContact CB-CZ 3.96Å; Q72-F82 VanDerWaalsContact OE1-CE2 3.25Å; N73-F82 HydrophobicContact CB-CE1 3.95Å; N73-F82 HydrophobicContact CB-CZ 4.13Å; T78-F82 HydrophobicContact CG2-CB 4.34Å; T78-F82 HydrophobicContact CG2-CD1 3.4Å; T78-F82 VanDerWaalsContact CG2-CD1 3.4Å; T78-F82 HydrophobicContact CG2-CD2 4.41Å; T78-F82 HydrophobicContact CG2-CE1 3.63Å; T78-F82 HydrophobicContact CG2-CG 3.8Å; T78-F82 HydrophobicContact CG2-CZ 4.25Å; A79-F82 WeakPolarHBondContact O-CB 3.48Å; A79-F82 PolarHBondContact O-N 3.08Å; S80-F82 PolarHBondContact O-N 2.96Å; F82-D84 VanDerWaalsContact C-N 3.35Å; F82-V85 PolarHBondContact O-N 2.77Å; F82-I86 HydrophobicContact CD1-CD1 3.85Å; F82-I86 HydrophobicContact CE1-CD1 3.45Å; F82-I86 VanDerWaalsContact CE1-CD1 3.45Å; F82-I86 HydrophobicContact CE1-CG1 4.44Å; F82-I86 HydrophobicContact CE2-CD1 4.27Å; F82-I86 HydrophobicContact CE2-CG1 4.46Å; F82-I86 HydrophobicContact CG-CD1 4.46Å; F82-I86 HydrophobicContact CZ-CD1 3.7Å; F82-I86 HydrophobicContact CZ-CG1 4.33Å; F82-I86 WeakPolarHBondContact O-CG1 3.29Å; F82-I86 PolarHBondContact O-N 3.27Å |
| 83 | F | 85.1 | Confident | 76.7 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.4 | -32.5 | 179 | -62.4 | -76.5 | 0 | 0 | 0 | 112 | S80 S81 I86 A87 L128 H132 R135 L136 S139 | S80-F83 PolarHBondContact O-N 3.32Å; S81-F83 PolarHBondContact O-N 2.65Å; F83-I86 HydrophobicContact CD1-CD1 4.31Å; F83-I86 PolarHBondContact O-N 3.46Å; F83-A87 VanDerWaalsContact O-CB 3.3Å; F83-A87 WeakPolarHBondContact O-CB 2.97Å; F83-A87 PolarHBondContact O-N 3.36Å; F83-L128 HydrophobicContact CE1-CD2 3.97Å; F83-H132 HydrophobicContact CE1-CB 3.74Å; F83-H132 HydrophobicContact CZ-CB 3.8Å; F83-H132 AromaticContact CZ-CG 3.66Å; F83-H132 AromaticContact CZ-ND1 3.92Å; F83-R135 HydrophobicContact CB-CB 4.34Å; F83-R135 HydrophobicContact CD1-CB 3.97Å; F83-R135 HydrophobicContact CD2-CB 3.6Å; F83-R135 HydrophobicContact CD2-CG 4.34Å; F83-R135 HydrophobicContact CE1-CB 4.18Å; F83-R135 HydrophobicContact CE2-CB 3.84Å; F83-R135 VanDerWaalsContact CE2-CD 3.42Å; F83-R135 HydrophobicContact CE2-CG 4.29Å; F83-R135 HydrophobicContact CG-CB 3.67Å; F83-R135 HydrophobicContact CZ-CB 4.11Å; F83-L136 HydrophobicContact CD1-CB 4.08Å; F83-S139 VanDerWaalsContact C-CB 3.49Å; F83-S139 WeakPolarHBondContact CB-OG 3.07Å; F83-S139 VanDerWaalsContact O-CB 3.27Å; F83-S139 WeakPolarHBondContact O-CB 2.87Å |
| 84 | D | 86.7 | Confident | 77.8 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 171.4 | -74.9 | -9.5 | 0 | 0 | 0 | 110.7 | I45 S80 S81 F82 A87 I88 S139 K142 | I45-D84 HydrophobicContact CD1-CB 3.82Å; S80-D84 PolarHBondContact O-N 3.03Å; S81-D84 PolarHBondContact O-N 3.27Å; F82-D84 VanDerWaalsContact C-N 3.35Å; D84-A87 PolarHBondContact O-N 2.97Å; D84-I88 VanDerWaalsContact O-CG1 3.24Å; D84-I88 WeakPolarHBondContact O-CG1 3.28Å; D84-I88 PolarHBondContact O-N 2.96Å; D84-S139 PolarHBondContact N-OG 2.72Å; D84-S139 VanDerWaalsContact OD1-CB 3.26Å; D84-S139 WeakPolarHBondContact OD1-CB 3.18Å; D84-S139 PolarHBondContact OD1-OG 2.95Å; D84-K142 IonicContact OD1-NZ 3.67Å; D84-K142 IonicContact OD2-NZ 2.76Å; D84-K142 PolarHBondContact OD2-NZ 3.31Å |
| 85 | V | 89.2 | Confident | 79.2 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 174.6 | 170 | 0 | 0 | 0 | 0 | 111.6 | L38 F41 Q42 I45 S81 F82 A87 I88 L89 | L38-V85 HydrophobicContact CD2-CG1 4.25Å; F41-V85 HydrophobicContact CB-CG2 4.3Å; F41-V85 HydrophobicContact CD1-CB 4.42Å; F41-V85 HydrophobicContact CD1-CG1 3.58Å; F41-V85 HydrophobicContact CD1-CG2 4.1Å; F41-V85 HydrophobicContact CD2-CG2 4.07Å; F41-V85 HydrophobicContact CE1-CG1 3.87Å; F41-V85 HydrophobicContact CE1-CG2 4.42Å; F41-V85 HydrophobicContact CE2-CG2 4.35Å; F41-V85 HydrophobicContact CG-CG1 4.16Å; F41-V85 HydrophobicContact CG-CG2 3.89Å; Q42-V85 HydrophobicContact CB-CG2 4.44Å; Q42-V85 HydrophobicContact CG-CB 4.48Å; Q42-V85 HydrophobicContact CG-CG2 3.89Å; I45-V85 HydrophobicContact CG1-CG2 4.29Å; S81-V85 WeakPolarHBondContact O-CG2 3.46Å; S81-V85 PolarHBondContact O-N 2.93Å; F82-V85 PolarHBondContact O-N 2.77Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 3.47Å; V85-I88 PolarHBondContact O-N 3.45Å; V85-L89 HydrophobicContact CG1-CD1 3.92Å; V85-L89 HydrophobicContact CG1-CG 4.32Å; V85-L89 VanDerWaalsContact O-CG 3.3Å; V85-L89 WeakPolarHBondContact O-CG 3.5Å; V85-L89 PolarHBondContact O-N 3.44Å |
| 86 | I | 88.7 | Confident | 80.7 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | 177.6 | -64.5 | 168.3 | 0 | 0 | 0 | 110.4 | I69 F82 F83 I88 L89 V90 L100 L136 | I69-I86 HydrophobicContact CG2-CD1 3.7Å; I69-I86 HydrophobicContact CG2-CG1 3.77Å; F82-I86 HydrophobicContact CD1-CD1 3.85Å; F82-I86 HydrophobicContact CE1-CD1 3.45Å; F82-I86 VanDerWaalsContact CE1-CD1 3.45Å; F82-I86 HydrophobicContact CE1-CG1 4.44Å; F82-I86 HydrophobicContact CE2-CD1 4.27Å; F82-I86 HydrophobicContact CE2-CG1 4.46Å; F82-I86 HydrophobicContact CG-CD1 4.46Å; F82-I86 HydrophobicContact CZ-CD1 3.7Å; F82-I86 HydrophobicContact CZ-CG1 4.33Å; F82-I86 WeakPolarHBondContact O-CG1 3.29Å; F82-I86 PolarHBondContact O-N 3.27Å; F83-I86 HydrophobicContact CD1-CD1 4.31Å; F83-I86 PolarHBondContact O-N 3.46Å; I86-I88 VanDerWaalsContact C-N 3.31Å; I86-I88 PolarHBondContact O-N 3.06Å; I86-L89 PolarHBondContact O-N 2.9Å; I86-V90 HydrophobicContact CG2-CG2 4.3Å; I86-V90 WeakPolarHBondContact O-CG2 3.39Å; I86-V90 PolarHBondContact O-N 3.45Å; I86-L100 HydrophobicContact CG2-CD1 3.75Å; I86-L136 HydrophobicContact CB-CD1 3.95Å; I86-L136 HydrophobicContact CG2-CD1 3.53Å; I86-L136 HydrophobicContact CG2-CD2 4.4Å |
| 87 | A | 88.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -36.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F83 D84 V85 Y91 L136 L140 I143 | F83-A87 VanDerWaalsContact O-CB 3.3Å; F83-A87 WeakPolarHBondContact O-CB 2.97Å; F83-A87 PolarHBondContact O-N 3.36Å; D84-A87 PolarHBondContact O-N 2.97Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 3.47Å; A87-Y91 WeakPolarHBondContact O-CB 3.27Å; A87-Y91 PolarHBondContact O-N 2.88Å; A87-L136 HydrophobicContact CB-CD1 4.31Å; A87-L140 HydrophobicContact CB-CD2 3.75Å; A87-L140 HydrophobicContact CB-CG 3.93Å; A87-I143 VanDerWaalsContact C-CD1 3.44Å; A87-I143 HydrophobicContact CB-CD1 3.43Å; A87-I143 VanDerWaalsContact CB-CD1 3.43Å |
| 88 | I | 91.7 | Very high | 84.3 | Confident | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -44.4 | 173.8 | -64.2 | 163.3 | 0 | 0 | 0 | 111 | F41 I45 Y48 V52 D84 V85 I86 V90 Y91 H92 I143 | F41-I88 HydrophobicContact CE2-CD1 4.13Å; F41-I88 HydrophobicContact CZ-CB 4.18Å; F41-I88 HydrophobicContact CZ-CD1 3.88Å; F41-I88 HydrophobicContact CZ-CG2 3.9Å; I45-I88 HydrophobicContact CG2-CD1 3.87Å; Y48-I88 HydrophobicContact CD2-CG2 4.07Å; Y48-I88 HydrophobicContact CG-CD1 4.4Å; Y48-I88 HydrophobicContact CG-CG2 4.42Å; V52-I88 HydrophobicContact CG2-CG2 4.05Å; D84-I88 VanDerWaalsContact O-CG1 3.24Å; D84-I88 WeakPolarHBondContact O-CG1 3.28Å; D84-I88 PolarHBondContact O-N 2.96Å; V85-I88 PolarHBondContact O-N 3.45Å; I86-I88 VanDerWaalsContact C-N 3.31Å; I86-I88 PolarHBondContact O-N 3.06Å; I88-V90 VanDerWaalsContact C-N 3.32Å; I88-V90 PolarHBondContact O-N 3.49Å; I88-Y91 WeakPolarHBondContact O-CB 3.4Å; I88-Y91 PolarHBondContact O-N 3.28Å; I88-Y91 VanDerWaalsContact O-N 3.15Å; I88-H92 PolarHBondContact O-CD2 3.01Å; I88-H92 VanDerWaalsContact O-CD2 3.31Å; I88-H92 PolarHBondContact O-N 3.04Å; I88-I143 HydrophobicContact CB-CD1 4.26Å; I88-I143 HydrophobicContact CG1-CD1 3.45Å; I88-I143 VanDerWaalsContact CG1-CD1 3.45Å; I88-I143 HydrophobicContact CG1-CG1 4.44Å |
| 89 | L | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 178.9 | -66.7 | 172.4 | 0 | 0 | 0 | 111.7 | L38 F41 L55 I69 V85 I86 H92 D93 L94 A95 | L38-L89 HydrophobicContact CD2-CD1 3.68Å; L38-L89 HydrophobicContact CD2-CD2 4.45Å; F41-L89 HydrophobicContact CE1-CD2 4.21Å; F41-L89 HydrophobicContact CE1-CG 4.47Å; L55-L89 HydrophobicContact CD1-CD2 3.56Å; I69-L89 HydrophobicContact CD1-CD1 3.83Å; V85-L89 HydrophobicContact CG1-CD1 3.92Å; V85-L89 HydrophobicContact CG1-CG 4.32Å; V85-L89 VanDerWaalsContact O-CG 3.3Å; V85-L89 WeakPolarHBondContact O-CG 3.5Å; V85-L89 PolarHBondContact O-N 3.44Å; I86-L89 PolarHBondContact O-N 2.9Å; L89-H92 PolarHBondContact O-N 3.37Å; L89-D93 PolarHBondContact O-N 3.48Å; L89-L94 HydrophobicContact CB-CB 4.31Å; L89-L94 HydrophobicContact CD2-CB 3.97Å; L89-L94 HydrophobicContact CD2-CD1 3.88Å; L89-L94 PolarHBondContact O-N 3.25Å; L89-A95 HydrophobicContact CB-CB 3.78Å; L89-A95 PolarHBondContact O-N 3.49Å |
| 90 | V | 90.2 | Very high | 85.9 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | I86 I88 H92 D93 A95 L97 L100 L140 A148 | I86-V90 HydrophobicContact CG2-CG2 4.3Å; I86-V90 WeakPolarHBondContact O-CG2 3.39Å; I86-V90 PolarHBondContact O-N 3.45Å; I88-V90 VanDerWaalsContact C-N 3.32Å; I88-V90 PolarHBondContact O-N 3.49Å; V90-H92 PolarHBondContact O-N 2.86Å; V90-D93 PolarHBondContact O-N 3.48Å; V90-A95 HydrophobicContact CG2-CB 4.03Å; V90-L97 HydrophobicContact CG1-CB 4.05Å; V90-L97 HydrophobicContact CG2-CB 4.37Å; V90-L97 HydrophobicContact CG2-CD1 4.4Å; V90-L100 HydrophobicContact CG2-CD1 4.38Å; V90-L140 HydrophobicContact CB-CD2 4.36Å; V90-L140 HydrophobicContact CG1-CD2 4.2Å; V90-A148 HydrophobicContact CG1-CB 4.06Å |
| 91 | Y | 90.7 | Very high | 86.3 | Confident | 111 Ų | 111 | 30 Ų | 30 | 44% | 0.435 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.1 | -32.1 | 178.6 | -177.4 | -85.4 | 0 | 0 | 0 | 113.5 | A87 I88 I143 H145 | A87-Y91 WeakPolarHBondContact O-CB 3.27Å; A87-Y91 PolarHBondContact O-N 2.88Å; I88-Y91 WeakPolarHBondContact O-CB 3.4Å; I88-Y91 PolarHBondContact O-N 3.28Å; I88-Y91 VanDerWaalsContact O-N 3.15Å; Y91-I143 HydrophobicContact CD2-CG2 3.55Å; Y91-I143 HydrophobicContact CE2-CG2 4.16Å; Y91-I143 HydrophobicContact CG-CG2 3.85Å; Y91-H145 HydrophobicContact CD2-CB 3.9Å; Y91-H145 AromaticContact CD2-CD2 3.42Å; Y91-H145 VanDerWaalsContact CD2-CD2 3.42Å; Y91-H145 WeakPolarHBondContact CD2-CD2 3.31Å; Y91-H145 AromaticContact CG-CD2 3.99Å |
| 92 | H | 91.3 | Very high | 85.8 | Confident | 39 Ų | 39 | 32 Ų | 32 | 18% | 0.181 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 14.5 | -179.1 | -73.6 | -74.3 | 0 | 0 | 0 | 114.6 | Y48 V52 R56 I88 L89 V90 L94 | Y48-H92 AromaticContact CD2-NE2 3.97Å; Y48-H92 AromaticContact CE2-NE2 3.83Å; V52-H92 HydrophobicContact CG1-CB 4Å; V52-H92 HydrophobicContact CG2-CB 4.41Å; R56-H92 PolarHBondContact NH2-O 3.28Å; I88-H92 PolarHBondContact O-CD2 3.01Å; I88-H92 VanDerWaalsContact O-CD2 3.31Å; I88-H92 PolarHBondContact O-N 3.04Å; L89-H92 PolarHBondContact O-N 3.37Å; V90-H92 PolarHBondContact O-N 2.86Å; H92-L94 HydrophobicContact CB-CD1 4.48Å; H92-L94 PolarHBondContact O-N 3.43Å |
| 93 | D | 90 | Very high | 84.3 | Confident | 141 Ų | 141 | 36.5 Ų | 36.5 | 75% | 0.754 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 23.8 | -177.8 | -61.2 | -49.4 | 0 | 0 | 0 | 114.5 | L89 V90 | L89-D93 PolarHBondContact O-N 3.48Å; V90-D93 PolarHBondContact O-N 3.48Å |
| 94 | L | 90 | Very high | 82.6 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -88.5 | -12.8 | 175.2 | -70.1 | 173.6 | 0 | 0 | 0 | 112.7 | V52 L55 R56 A62 L65 L89 H92 | V52-L94 HydrophobicContact CG1-CD1 4.16Å; V52-L94 HydrophobicContact CG2-CD1 4.45Å; L55-L94 HydrophobicContact CB-CD1 3.99Å; L55-L94 HydrophobicContact CD1-CD1 4.03Å; R56-L94 HydrophobicContact CG-CD2 4.06Å; A62-L94 WeakPolarHBondContact CA-O 3.19Å; L65-L94 HydrophobicContact CD1-CB 4Å; L65-L94 VanDerWaalsContact CD1-O 3.28Å; L65-L94 WeakPolarHBondContact CD1-O 3.41Å; L89-L94 HydrophobicContact CB-CB 4.31Å; L89-L94 HydrophobicContact CD2-CB 3.97Å; L89-L94 HydrophobicContact CD2-CD1 3.88Å; L89-L94 PolarHBondContact O-N 3.25Å; H92-L94 HydrophobicContact CB-CD1 4.48Å; H92-L94 PolarHBondContact O-N 3.43Å |
| 95 | A | 87.6 | Confident | 80.4 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -138.2 | 132.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | N66 I69 L89 V90 | N66-A95 WeakPolarHBondContact OD1-CA 3.32Å; N66-A95 VanDerWaalsContact OD1-CB 3.28Å; N66-A95 WeakPolarHBondContact OD1-CB 3.4Å; I69-A95 HydrophobicContact CD1-CB 4.15Å; L89-A95 HydrophobicContact CB-CB 3.78Å; L89-A95 PolarHBondContact O-N 3.49Å; V90-A95 HydrophobicContact CG2-CB 4.03Å |
| 96 | D | 85.3 | Confident | 78.1 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | trans | -85.2 | 114.2 | 174.8 | 173.8 | 19.2 | 0 | 0 | 0 | 110.8 | N66 N98 F99 L100 | N66-D96 WeakPolarHBondContact ND2-CB 3.31Å; N66-D96 PolarHBondContact ND2-N 3.38Å; N66-D96 VanDerWaalsContact ND2-N 3.16Å; N66-D96 PolarHBondContact ND2-O 3Å; N66-D96 PolarHBondContact OD1-N 2.99Å; D96-N98 VanDerWaalsContact C-N 3.35Å; D96-N98 PolarHBondContact O-N 3.41Å; D96-N98 WeakPolarHBondContact OD1-CB 3.46Å; D96-N98 PolarHBondContact OD1-N 3.15Å; D96-F99 HydrophobicContact CB-CB 4.26Å; D96-F99 PolarHBondContact O-N 3.38Å; D96-L100 PolarHBondContact O-N 3.34Å | ||
| 97 | L | 85.5 | Confident | 75.6 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 177.7 | -177.1 | 69.9 | 0 | 0 | 0 | 113.5 | V90 F99 L100 L101 L136 L140 A148 V151 V152 | V90-L97 HydrophobicContact CG1-CB 4.05Å; V90-L97 HydrophobicContact CG2-CB 4.37Å; V90-L97 HydrophobicContact CG2-CD1 4.4Å; L97-F99 VanDerWaalsContact C-N 3.3Å; L97-F99 PolarHBondContact O-N 3.46Å; L97-L100 PolarHBondContact O-N 3.39Å; L97-L101 HydrophobicContact CD1-CD1 4.04Å; L97-L101 HydrophobicContact CD1-CG 4.21Å; L97-L101 HydrophobicContact CD2-CD1 4.2Å; L97-L101 HydrophobicContact CG-CD1 3.74Å; L97-L101 HydrophobicContact CG-CG 4.26Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 2.89Å; L97-L136 HydrophobicContact CD1-CD2 4.01Å; L97-L140 HydrophobicContact CD1-CD1 4.33Å; L97-A148 VanDerWaalsContact CD2-CA 3.46Å; L97-A148 HydrophobicContact CD2-CB 3.47Å; L97-A148 VanDerWaalsContact CD2-CB 3.47Å; L97-A148 WeakPolarHBondContact CD2-O 3.43Å; L97-V151 HydrophobicContact CD2-CB 3.8Å; L97-V151 HydrophobicContact CD2-CG1 3.89Å; L97-V152 HydrophobicContact CD1-CG2 3.9Å; L97-V152 HydrophobicContact CD2-CG2 4.32Å |
| 98 | N | 82.7 | Confident | 73.5 | Confident | 82 Ų | 82 | 59 Ų | 59 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | -177.4 | -71.2 | -50.2 | 0 | 0 | 0 | 110.5 | D96 L100 L101 C102 | D96-N98 VanDerWaalsContact C-N 3.35Å; D96-N98 PolarHBondContact O-N 3.41Å; D96-N98 WeakPolarHBondContact OD1-CB 3.46Å; D96-N98 PolarHBondContact OD1-N 3.15Å; N98-L100 PolarHBondContact O-N 3.35Å; N98-L101 PolarHBondContact O-N 2.67Å; N98-C102 WeakPolarHBondContact O-CB 3.21Å; N98-C102 PolarHBondContact O-N 3.47Å; N98-C102 PolarHBondContact O-SG 2.9Å |
| 99 | F | 79.4 | Confident | 71.1 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 31% | 0.307 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 174.6 | -176.2 | -82.8 | 0 | 0 | 0 | 112.1 | N66 D96 L97 L101 L127 | N66-F99 HydrophobicContact CB-CD1 3.56Å; N66-F99 HydrophobicContact CB-CE1 3.8Å; N66-F99 HydrophobicContact CB-CG 4.36Å; N66-F99 WeakPolarHBondContact ND2-CB 3.37Å; D96-F99 HydrophobicContact CB-CB 4.26Å; D96-F99 PolarHBondContact O-N 3.38Å; L97-F99 VanDerWaalsContact C-N 3.3Å; L97-F99 PolarHBondContact O-N 3.46Å; F99-L101 VanDerWaalsContact C-N 3.31Å; F99-L101 PolarHBondContact O-N 3.24Å; F99-L127 WeakPolarHBondContact O-CD1 3.17Å |
| 100 | L | 77.5 | Confident | 68.7 | Low | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.9 | -29.6 | 178.5 | -65.8 | 174.4 | 0 | 0 | 0 | 113.1 | N66 I69 I86 V90 D96 L97 N98 L127 | N66-L100 HydrophobicContact CB-CD2 4.33Å; I69-L100 HydrophobicContact CB-CD2 4.29Å; I69-L100 HydrophobicContact CG2-CD2 3.84Å; I86-L100 HydrophobicContact CG2-CD1 3.75Å; V90-L100 HydrophobicContact CG2-CD1 4.38Å; D96-L100 PolarHBondContact O-N 3.34Å; L97-L100 PolarHBondContact O-N 3.39Å; N98-L100 PolarHBondContact O-N 3.35Å; L100-L127 WeakPolarHBondContact O-CB 3.28Å |
| 101 | L | 75.4 | Confident | 66.4 | Low | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -89.5 | -23.7 | -179.9 | -68.1 | 174.1 | 0 | 0 | 0 | 114.1 | L97 N98 F99 N103 L128 K133 V151 V152 H155 | L97-L101 HydrophobicContact CD1-CD1 4.04Å; L97-L101 HydrophobicContact CD1-CG 4.21Å; L97-L101 HydrophobicContact CD2-CD1 4.2Å; L97-L101 HydrophobicContact CG-CD1 3.74Å; L97-L101 HydrophobicContact CG-CG 4.26Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 2.89Å; N98-L101 PolarHBondContact O-N 2.67Å; F99-L101 VanDerWaalsContact C-N 3.31Å; F99-L101 PolarHBondContact O-N 3.24Å; L101-N103 PolarHBondContact O-N 2.94Å; L101-L128 HydrophobicContact CD2-CD1 4.26Å; L101-K133 HydrophobicContact CD2-CD 4.49Å; L101-K133 HydrophobicContact CD2-CG 4.35Å; L101-V151 HydrophobicContact CD1-CG1 3.76Å; L101-V152 HydrophobicContact CD1-CB 4.44Å; L101-V152 HydrophobicContact CD1-CG2 3.99Å; L101-V152 HydrophobicContact CD2-CG1 4.32Å; L101-V152 HydrophobicContact CD2-CG2 4.18Å; L101-H155 HydrophobicContact CB-CB 4.32Å; L101-H155 HydrophobicContact CD1-CB 4.2Å; L101-H155 HydrophobicContact CD2-CB 4.45Å |
| 102 | C | 68.5 | Low | 64.3 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -55 | 134.1 | -178.6 | -84.2 | 0 | 0 | 0 | 0 | 111.4 | N98 V104 L127 | N98-C102 WeakPolarHBondContact O-CB 3.21Å; N98-C102 PolarHBondContact O-N 3.47Å; N98-C102 PolarHBondContact O-SG 2.9Å; C102-V104 PolarHBondContact O-N 3.3Å; C102-V104 VanDerWaalsContact O-N 3.1Å; C102-L127 WeakPolarHBondContact O-CD1 3.21Å |
| 103 | N | 53.9 | Low | 61.7 | Low | 95 Ų | 95 | 80.3 Ų | 80.3 | 51% | 0.508 | 42% | 0.416 | S | S | . | . | trans | -69.8 | 109.5 | 166.4 | -66.1 | -11.7 | 0 | 0 | 0 | 106.9 | L101 S105 L125 S126 | L101-N103 PolarHBondContact O-N 2.94Å; N103-S105 PolarHBondContact O-N 3.16Å; N103-L125 WeakPolarHBondContact CB-O 3.42Å; N103-L125 PolarHBondContact ND2-O 3Å; N103-L125 PolarHBondContact OD1-O 3.34Å; N103-S126 VanDerWaalsContact OD1-CB 3.26Å; N103-S126 WeakPolarHBondContact OD1-CB 3.39Å | ||
| 104 | V | 50.1 | Low | 59.3 | Low | 52 Ų | 52 | 83.3 Ų | 83.3 | 32% | 0.315 | 42% | 0.418 | S | S | . | . | trans | -53 | 114.7 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | C102 Q108 L127 | C102-V104 PolarHBondContact O-N 3.3Å; C102-V104 VanDerWaalsContact O-N 3.1Å; V104-Q108 HydrophobicContact CG1-CB 3.42Å; V104-Q108 VanDerWaalsContact CG1-CB 3.42Å; V104-Q108 HydrophobicContact CG1-CG 4.48Å; V104-L127 HydrophobicContact CG2-CD1 3.28Å; V104-L127 HydrophobicContact CG2-CD2 3.96Å; V104-L127 HydrophobicContact CG2-CG 3.42Å; V104-L127 VanDerWaalsContact CG2-CG 3.42Å | ||
| 105 | S | 39.7 | Very low | 56.8 | Low | 72 Ų | 72 | 86 Ų | 86 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | trans | -60 | 145.4 | 172.3 | 70.2 | 0 | 0 | 0 | 0 | 109 | N103 L107 Q108 | N103-S105 PolarHBondContact O-N 3.16Å; S105-L107 PolarHBondContact O-N 3.25Å; S105-Q108 PolarHBondContact O-N 3.12Å | ||
| 106 | I | 41.3 | Very low | 54.2 | Low | 136 Ų | 136 | 96.5 Ų | 96.5 | 70% | 0.697 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.7 | -23.2 | 179.8 | -71.1 | 160.9 | 0 | 0 | 0 | 113.9 | M109 | I106-M109 WeakPolarHBondContact O-CB 3.31Å; I106-M109 PolarHBondContact O-N 3.39Å |
| 107 | L | 36.9 | Very low | 51.8 | Low | 148 Ų | 148 | 97.5 Ų | 97.5 | 78% | 0.775 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -29.8 | 179.5 | -86 | 153.3 | 0 | 0 | 0 | 115.1 | S105 M109 | S105-L107 PolarHBondContact O-N 3.25Å; L107-M109 VanDerWaalsContact C-N 3.33Å |
| 108 | Q | 42.8 | Very low | 49.5 | Very low | 93 Ų | 93 | 103.9 Ų | 103.9 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -9.8 | 174.6 | -87 | 176.7 | -14.8 | 0 | 0 | 112.9 | V104 S105 V110 F111 V112 | V104-Q108 HydrophobicContact CG1-CB 3.42Å; V104-Q108 VanDerWaalsContact CG1-CB 3.42Å; V104-Q108 HydrophobicContact CG1-CG 4.48Å; S105-Q108 PolarHBondContact O-N 3.12Å; Q108-V110 PolarHBondContact O-N 3.44Å; Q108-F111 WeakPolarHBondContact O-CB 3.46Å; Q108-F111 PolarHBondContact O-N 3.29Å; Q108-V112 PolarHBondContact O-N 3.11Å |
| 109 | M | 42.4 | Very low | 47.2 | Very low | 86 Ų | 86 | 105.4 Ų | 105.4 | 42% | 0.424 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -24.9 | 172.1 | -138.2 | -178.3 | -175.5 | 0 | 0 | 112 | I106 L107 F111 R113 F124 | I106-M109 WeakPolarHBondContact O-CB 3.31Å; I106-M109 PolarHBondContact O-N 3.39Å; L107-M109 VanDerWaalsContact C-N 3.33Å; M109-F111 VanDerWaalsContact C-N 3.27Å; M109-F111 PolarHBondContact O-N 3.49Å; M109-R113 WeakPolarHBondContact O-CB 3.46Å; M109-R113 PolarHBondContact O-N 3.19Å; M109-F124 HydrophobicContact CE-CD2 4.44Å; M109-F124 HydrophobicContact CE-CE1 4.06Å; M109-F124 HydrophobicContact CE-CE2 3.75Å; M109-F124 HydrophobicContact CE-CZ 3.53Å; M109-F124 HydrophobicContact SD-CE1 4.28Å; M109-F124 HydrophobicContact SD-CZ 3.99Å |
| 110 | V | 42.3 | Very low | 45.2 | Very low | 91 Ų | 91 | 107.9 Ų | 107.9 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.7 | -31.7 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | Q108 | Q108-V110 PolarHBondContact O-N 3.44Å |
| 111 | F | 41.4 | Very low | 43 | Very low | 140 Ų | 140 | 118.4 Ų | 118.4 | 61% | 0.614 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.3 | -38.8 | -177.6 | -138.1 | -92 | 0 | 0 | 0 | 112.2 | Q108 M109 R113 Y114 | Q108-F111 WeakPolarHBondContact O-CB 3.46Å; Q108-F111 PolarHBondContact O-N 3.29Å; M109-F111 VanDerWaalsContact C-N 3.27Å; M109-F111 PolarHBondContact O-N 3.49Å; F111-R113 VanDerWaalsContact C-N 3.29Å; F111-R113 PolarHBondContact O-N 2.86Å; F111-Y114 PolarHBondContact O-N 3.48Å |
| 112 | V | 45.3 | Very low | 41 | Very low | 89 Ų | 89 | 130 Ų | 130 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.1 | -31.7 | 173 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | Q108 Y114 C115 | Q108-V112 PolarHBondContact O-N 3.11Å; V112-Y114 PolarHBondContact O-N 3.4Å; V112-C115 PolarHBondContact O-N 2.62Å |
| 113 | R | 37.7 | Very low | 39.3 | Very low | 212 Ų | 212 | 131.3 Ų | 131.3 | 80% | 0.8 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -18.8 | 175.9 | -151.1 | 172.4 | -173.4 | 172.9 | -1.5 | 113.7 | M109 F111 C115 | M109-R113 WeakPolarHBondContact O-CB 3.46Å; M109-R113 PolarHBondContact O-N 3.19Å; F111-R113 VanDerWaalsContact C-N 3.29Å; F111-R113 PolarHBondContact O-N 2.86Å; R113-C115 VanDerWaalsContact C-N 3.31Å |
| 114 | Y | 39.6 | Very low | 38.3 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -14.3 | 173 | -104 | -85.8 | 0 | 0 | 0 | 113.2 | F111 V112 | F111-Y114 PolarHBondContact O-N 3.48Å; V112-Y114 PolarHBondContact O-N 3.4Å |
| 115 | C | 37.1 | Very low | 37.9 | Very low | 71 Ų | 71 | 136 Ų | 136 | 48% | 0.48 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -102.4 | 99.5 | 173.9 | -69.4 | 0 | 0 | 0 | 0 | 110.1 | V112 R113 | V112-C115 PolarHBondContact O-N 2.62Å; R113-C115 VanDerWaalsContact C-N 3.31Å |
| 116 | Y | 34 | Very low | 38.1 | Very low | 225 Ų | 225 | 134.5 Ų | 134.5 | 88% | 0.882 | 65% | 0.649 | S | S | * | * | trans | 46.3 | 116.4 | 156.6 | -80.7 | -88.9 | 0 | 0 | 0 | 121.1 | ||||
| 117 | S | 35.3 | Very low | 38.5 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | trans | 19.8 | 129.5 | 136.5 | -149.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 118 | I | 35.3 | Very low | 39.3 | Very low | 148 Ų | 148 | 123 Ų | 123 | 76% | 0.759 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 85.2 | 104.4 | 156.8 | -65.1 | 154 | 0 | 0 | 0 | 116.6 | ||
| 119 | S | 35.9 | Very low | 39.9 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 79% | 0.79 | 59% | 0.586 | S | S | * | * | trans | 69 | 57.5 | 152 | -56.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 120 | F | 36.6 | Very low | 40.7 | Very low | 123 Ų | 123 | 118 Ų | 118 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | trans | -129.5 | 67.7 | 169.3 | -135.3 | -100.4 | 0 | 0 | 0 | 112.5 | L74 C123 | L74-F120 HydrophobicContact CD2-CE1 3.97Å; L74-F120 HydrophobicContact CD2-CZ 4.2Å; F120-C123 HydrophobicContact CD1-CB 4.24Å; F120-C123 HydrophobicContact CE1-CB 3.52Å; F120-C123 HydrophobicContact CZ-CB 4.17Å | ||
| 121 | R | 31.8 | Very low | 41.6 | Very low | 227 Ų | 227 | 115.2 Ų | 115.2 | 86% | 0.857 | 56% | 0.556 | S | S | * | * | trans | -104.7 | 8.2 | -179.1 | -111.6 | -172.7 | -167.5 | -135.2 | 5.9 | 115.2 | ||||
| 122 | R | 34 | Very low | 43.1 | Very low | 244 Ų | 244 | 109.8 Ų | 109.8 | 92% | 0.921 | 53% | 0.533 | S | S | * | . | trans | -129.8 | -3.9 | -173.3 | -109.1 | -179.3 | 177.6 | -178.3 | -2.9 | 119 | F124 | R122-F124 PolarHBondContact O-N 2.95Å; R122-F124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | C | 32.3 | Very low | 44.7 | Very low | 92 Ų | 92 | 105.8 Ų | 105.8 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | trans | -89 | 77.7 | 172.6 | -104.9 | 0 | 0 | 0 | 0 | 110.9 | F120 | F120-C123 HydrophobicContact CD1-CB 4.24Å; F120-C123 HydrophobicContact CE1-CB 3.52Å; F120-C123 HydrophobicContact CZ-CB 4.17Å | ||
| 124 | F | 32.6 | Very low | 46.4 | Very low | 125 Ų | 125 | 96.1 Ų | 96.1 | 55% | 0.548 | 47% | 0.473 | S | S | . | . | trans | -95.7 | 129.3 | 173 | -99.5 | -87.8 | 0 | 0 | 0 | 110.7 | M109 R122 | M109-F124 HydrophobicContact CE-CD2 4.44Å; M109-F124 HydrophobicContact CE-CE1 4.06Å; M109-F124 HydrophobicContact CE-CE2 3.75Å; M109-F124 HydrophobicContact CE-CZ 3.53Å; M109-F124 HydrophobicContact SD-CE1 4.28Å; M109-F124 HydrophobicContact SD-CZ 3.99Å; R122-F124 PolarHBondContact O-N 2.95Å; R122-F124 VanDerWaalsContact O-N 3.15Å | ||
| 125 | L | 41.9 | Very low | 48.3 | Very low | 120 Ų | 120 | 90.4 Ų | 90.4 | 63% | 0.628 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 101.4 | 7.6 | 146.8 | -64.7 | 163.2 | 0 | 0 | 0 | 122.2 | N103 | N103-L125 WeakPolarHBondContact CB-O 3.42Å; N103-L125 PolarHBondContact ND2-O 3Å; N103-L125 PolarHBondContact OD1-O 3.34Å |
| 126 | S | 43 | Very low | 50.6 | Low | 40 Ų | 40 | 87 Ų | 87 | 28% | 0.28 | 43% | 0.427 | S | S | . | . | trans | -156 | 142.7 | 151.8 | 61.1 | 0 | 0 | 0 | 0 | 112 | N103 L128 | N103-S126 VanDerWaalsContact OD1-CB 3.26Å; N103-S126 WeakPolarHBondContact OD1-CB 3.39Å; S126-L128 WeakPolarHBondContact CB-O 3.48Å; S126-L128 PolarHBondContact O-N 2.98Å; S126-L128 PolarHBondContact OG-O 3.11Å | ||
| 127 | L | 50.3 | Low | 52.9 | Low | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.188 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -60.2 | -31.1 | -177.8 | -94.5 | 157.7 | 0 | 0 | 0 | 113.8 | T70 N73 F99 L100 C102 V104 | T70-L127 HydrophobicContact CG2-CD2 3.17Å; N73-L127 PolarHBondContact ND2-O 2.79Å; F99-L127 WeakPolarHBondContact O-CD1 3.17Å; L100-L127 WeakPolarHBondContact O-CB 3.28Å; C102-L127 WeakPolarHBondContact O-CD1 3.21Å; V104-L127 HydrophobicContact CG2-CD1 3.28Å; V104-L127 HydrophobicContact CG2-CD2 3.96Å; V104-L127 HydrophobicContact CG2-CG 3.42Å; V104-L127 VanDerWaalsContact CG2-CG 3.42Å |
| 128 | L | 53.5 | Low | 55.1 | Low | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -110.1 | 117.8 | 166.4 | -70.1 | 151.9 | 0 | 0 | 0 | 106.8 | F83 L101 S126 H132 K133 L136 | F83-L128 HydrophobicContact CE1-CD2 3.97Å; L101-L128 HydrophobicContact CD2-CD1 4.26Å; S126-L128 WeakPolarHBondContact CB-O 3.48Å; S126-L128 PolarHBondContact O-N 2.98Å; S126-L128 PolarHBondContact OG-O 3.11Å; L128-H132 HydrophobicContact CB-CB 3.94Å; L128-H132 HydrophobicContact CD2-CB 3.6Å; L128-H132 HydrophobicContact CG-CB 4.41Å; L128-K133 HydrophobicContact CB-CG 3.76Å; L128-L136 HydrophobicContact CD1-CD2 3.77Å |
| 129 | P | 56.5 | Low | 57.5 | Low | 55 Ų | 55 | 66.2 Ų | 66.2 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | trans | -54.4 | 158 | 166.6 | 5.5 | -8.4 | 0 | 0 | 0 | 110.4 | N131 H132 K133 | P129-N131 VanDerWaalsContact C-N 3.27Å; P129-N131 PolarHBondContact O-N 3.39Å; P129-N131 VanDerWaalsContact O-N 3.13Å; P129-H132 HydrophobicContact CG-CB 4.41Å; P129-H132 WeakPolarHBondContact O-CA 3.31Å; P129-H132 WeakPolarHBondContact O-CB 3.32Å; P129-H132 PolarHBondContact O-N 3.36Å; P129-K133 PolarHBondContact O-N 3.2Å; P129-K133 VanDerWaalsContact O-N 3.16Å | ||
| 130 | G | 57.5 | Low | 59.9 | Low | 18 Ų | 18 | 60.8 Ų | 60.8 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -47 | -46.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H132 K133 L134 Y160 | G130-H132 VanDerWaalsContact C-N 3.28Å; G130-H132 PolarHBondContact O-N 2.89Å; G130-K133 WeakPolarHBondContact O-CB 3.25Å; G130-K133 PolarHBondContact O-N 2.98Å; G130-K133 VanDerWaalsContact O-N 3.12Å; G130-L134 PolarHBondContact O-N 3.41Å; G130-Y160 WeakPolarHBondContact CA-OH 3.22Å; G130-Y160 PolarHBondContact O-OH 3.47Å |
| 131 | N | 62 | Low | 62.3 | Low | 32 Ų | 32 | 56 Ų | 56 | 17% | 0.171 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.8 | -38.3 | 175.1 | -60.4 | -5.9 | 0 | 0 | 0 | 113.5 | P129 L134 R135 E177 | P129-N131 VanDerWaalsContact C-N 3.27Å; P129-N131 PolarHBondContact O-N 3.39Å; P129-N131 VanDerWaalsContact O-N 3.13Å; N131-L134 PolarHBondContact O-N 2.86Å; N131-R135 WeakPolarHBondContact O-CG 3.2Å; N131-R135 PolarHBondContact O-N 3.05Å; N131-R135 VanDerWaalsContact O-N 3.12Å; N131-E177 WeakPolarHBondContact OD1-CG 3.34Å; N131-E177 PolarHBondContact OD1-OE1 2.92Å |
| 132 | H | 74 | Confident | 64.6 | Low | 26 Ų | 26 | 50.8 Ų | 50.8 | 12% | 0.12 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76 | -31.7 | -178.8 | -67.8 | -164.7 | 0 | 0 | 0 | 111.6 | N73 F83 L128 P129 G130 L134 R135 L136 | N73-H132 PolarHBondContact OD1-CE1 2.67Å; N73-H132 PolarHBondContact OD1-ND1 2.81Å; F83-H132 HydrophobicContact CE1-CB 3.74Å; F83-H132 HydrophobicContact CZ-CB 3.8Å; F83-H132 AromaticContact CZ-CG 3.66Å; F83-H132 AromaticContact CZ-ND1 3.92Å; L128-H132 HydrophobicContact CB-CB 3.94Å; L128-H132 HydrophobicContact CD2-CB 3.6Å; L128-H132 HydrophobicContact CG-CB 4.41Å; P129-H132 HydrophobicContact CG-CB 4.41Å; P129-H132 WeakPolarHBondContact O-CA 3.31Å; P129-H132 WeakPolarHBondContact O-CB 3.32Å; P129-H132 PolarHBondContact O-N 3.36Å; G130-H132 VanDerWaalsContact C-N 3.28Å; G130-H132 PolarHBondContact O-N 2.89Å; H132-L134 VanDerWaalsContact C-N 3.32Å; H132-R135 PolarHBondContact O-N 2.95Å; H132-L136 WeakPolarHBondContact O-CB 3.25Å; H132-L136 PolarHBondContact O-N 3.46Å |
| 133 | K | 76.9 | Confident | 67 | Low | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 171 | -67.1 | -177.8 | 174.7 | 179.9 | 0 | 111.1 | L101 L128 P129 G130 L136 L137 V152 H155 M156 | L101-K133 HydrophobicContact CD2-CD 4.49Å; L101-K133 HydrophobicContact CD2-CG 4.35Å; L128-K133 HydrophobicContact CB-CG 3.76Å; P129-K133 PolarHBondContact O-N 3.2Å; P129-K133 VanDerWaalsContact O-N 3.16Å; G130-K133 WeakPolarHBondContact O-CB 3.25Å; G130-K133 PolarHBondContact O-N 2.98Å; G130-K133 VanDerWaalsContact O-N 3.12Å; K133-L136 PolarHBondContact O-N 2.76Å; K133-L137 VanDerWaalsContact O-CB 3.26Å; K133-L137 WeakPolarHBondContact O-CB 3.46Å; K133-L137 PolarHBondContact O-N 3.19Å; K133-V152 HydrophobicContact CB-CG1 4.15Å; K133-V152 WeakPolarHBondContact O-CG1 3.34Å; K133-H155 PolarHBondContact NZ-O 2.87Å; K133-M156 HydrophobicContact CB-SD 3.61Å; K133-M156 HydrophobicContact CD-SD 4.06Å; K133-M156 HydrophobicContact CG-SD 4.49Å |
| 134 | L | 75.2 | Confident | 69.3 | Low | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 174.6 | -75.4 | 168.7 | 0 | 0 | 0 | 112.9 | G130 N131 H132 L137 H138 M156 Y160 E177 T180 L181 | G130-L134 PolarHBondContact O-N 3.41Å; N131-L134 PolarHBondContact O-N 2.86Å; H132-L134 VanDerWaalsContact C-N 3.32Å; L134-L137 HydrophobicContact CD2-CD2 4.39Å; L134-L137 WeakPolarHBondContact O-CB 3.32Å; L134-L137 PolarHBondContact O-N 2.84Å; L134-H138 PolarHBondContact O-N 2.89Å; L134-M156 HydrophobicContact CD1-CE 4.28Å; L134-M156 HydrophobicContact CD2-CE 3.62Å; L134-M156 HydrophobicContact CG-CE 3.62Å; L134-Y160 HydrophobicContact CD1-CE1 4.02Å; L134-E177 HydrophobicContact CD1-CB 3.74Å; L134-E177 HydrophobicContact CD1-CG 3.69Å; L134-T180 HydrophobicContact CB-CG2 4.14Å; L134-L181 HydrophobicContact CD2-CD2 4.21Å |
| 135 | R | 78.3 | Confident | 72 | Confident | 83 Ų | 83 | 34.7 Ų | 34.7 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 175 | -70.2 | -179.2 | 179 | -177.5 | 0.1 | 112.2 | F83 N131 H132 L137 H138 S139 T180 | F83-R135 HydrophobicContact CB-CB 4.34Å; F83-R135 HydrophobicContact CD1-CB 3.97Å; F83-R135 HydrophobicContact CD2-CB 3.6Å; F83-R135 HydrophobicContact CD2-CG 4.34Å; F83-R135 HydrophobicContact CE1-CB 4.18Å; F83-R135 HydrophobicContact CE2-CB 3.84Å; F83-R135 VanDerWaalsContact CE2-CD 3.42Å; F83-R135 HydrophobicContact CE2-CG 4.29Å; F83-R135 HydrophobicContact CG-CB 3.67Å; F83-R135 HydrophobicContact CZ-CB 4.11Å; N131-R135 WeakPolarHBondContact O-CG 3.2Å; N131-R135 PolarHBondContact O-N 3.05Å; N131-R135 VanDerWaalsContact O-N 3.12Å; H132-R135 PolarHBondContact O-N 2.95Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-L137 PolarHBondContact O-N 3.39Å; R135-H138 WeakPolarHBondContact O-CB 3.37Å; R135-H138 PolarHBondContact O-N 2.92Å; R135-S139 PolarHBondContact O-N 3.25Å; R135-S139 PolarHBondContact O-OG 2.93Å; R135-T180 HydrophobicContact CG-CG2 4.09Å |
| 136 | L | 84.7 | Confident | 74 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 173.3 | 179.4 | 59.2 | 0 | 0 | 0 | 111.4 | F83 I86 A87 L97 L128 H132 K133 H138 S139 L140 V152 | F83-L136 HydrophobicContact CD1-CB 4.08Å; I86-L136 HydrophobicContact CB-CD1 3.95Å; I86-L136 HydrophobicContact CG2-CD1 3.53Å; I86-L136 HydrophobicContact CG2-CD2 4.4Å; A87-L136 HydrophobicContact CB-CD1 4.31Å; L97-L136 HydrophobicContact CD1-CD2 4.01Å; L128-L136 HydrophobicContact CD1-CD2 3.77Å; H132-L136 WeakPolarHBondContact O-CB 3.25Å; H132-L136 PolarHBondContact O-N 3.46Å; K133-L136 PolarHBondContact O-N 2.76Å; L136-H138 VanDerWaalsContact C-N 3.33Å; L136-H138 PolarHBondContact O-N 2.88Å; L136-S139 PolarHBondContact O-N 3.44Å; L136-L140 HydrophobicContact CD1-CD1 4.16Å; L136-L140 HydrophobicContact CD1-CG 4.12Å; L136-L140 HydrophobicContact CG-CD1 3.88Å; L136-L140 HydrophobicContact CG-CG 4.33Å; L136-L140 WeakPolarHBondContact O-CB 3.34Å; L136-L140 VanDerWaalsContact O-CG 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.14Å; L136-L140 PolarHBondContact O-N 3.42Å; L136-V152 HydrophobicContact CD2-CG2 4.27Å; L136-V152 HydrophobicContact CG-CG2 4.47Å |
| 137 | L | 83.9 | Confident | 76.1 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.2 | -47.1 | 173.8 | 178.2 | 65.3 | 0 | 0 | 0 | 110.8 | K133 L134 R135 S139 L140 I141 A149 V152 L153 | K133-L137 VanDerWaalsContact O-CB 3.26Å; K133-L137 WeakPolarHBondContact O-CB 3.46Å; K133-L137 PolarHBondContact O-N 3.19Å; L134-L137 HydrophobicContact CD2-CD2 4.39Å; L134-L137 WeakPolarHBondContact O-CB 3.32Å; L134-L137 PolarHBondContact O-N 2.84Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-L137 PolarHBondContact O-N 3.39Å; L137-S139 PolarHBondContact O-N 2.88Å; L137-L140 PolarHBondContact O-N 3.43Å; L137-I141 HydrophobicContact CD1-CD1 3.85Å; L137-I141 HydrophobicContact CD1-CG1 4.16Å; L137-I141 HydrophobicContact CG-CD1 3.8Å; L137-I141 HydrophobicContact CG-CG1 4.46Å; L137-I141 WeakPolarHBondContact O-CG1 3.36Å; L137-I141 PolarHBondContact O-N 3.01Å; L137-A149 HydrophobicContact CD1-CB 3.69Å; L137-A149 VanDerWaalsContact CD1-O 3.3Å; L137-A149 WeakPolarHBondContact CD1-O 3.46Å; L137-V152 HydrophobicContact CB-CG1 4.08Å; L137-V152 HydrophobicContact CD1-CB 4.42Å; L137-L153 HydrophobicContact CD1-CD1 4.26Å; L137-L153 HydrophobicContact CD1-CG 3.95Å; L137-L153 HydrophobicContact CD2-CD2 3.67Å; L137-L153 HydrophobicContact CD2-CG 3.95Å |
| 138 | H | 80.8 | Confident | 77.9 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 9% | 0.093 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.3 | -56.4 | 174.2 | -177.3 | -172.9 | 0 | 0 | 0 | 110.8 | L134 R135 L136 L140 I141 K142 D183 I184 T187 | L134-H138 PolarHBondContact O-N 2.89Å; R135-H138 WeakPolarHBondContact O-CB 3.37Å; R135-H138 PolarHBondContact O-N 2.92Å; L136-H138 VanDerWaalsContact C-N 3.33Å; L136-H138 PolarHBondContact O-N 2.88Å; H138-L140 VanDerWaalsContact C-N 3.32Å; H138-L140 PolarHBondContact O-N 3.03Å; H138-I141 PolarHBondContact O-N 3.49Å; H138-K142 WeakPolarHBondContact O-CB 3.38Å; H138-K142 PolarHBondContact O-N 3.46Å; H138-D183 IonicContact CE1-OD2 3.3Å; H138-D183 PolarHBondContact CE1-OD2 3.09Å; H138-D183 IonicContact ND1-OD2 2.89Å; H138-D183 PolarHBondContact ND1-OD2 3.31Å; H138-I184 HydrophobicContact CB-CD1 3.73Å; H138-I184 HydrophobicContact CB-CG1 3.44Å; H138-I184 VanDerWaalsContact CB-CG1 3.44Å; H138-T187 PolarHBondContact NE2-OG1 3.29Å; H138-T187 VanDerWaalsContact NE2-OG1 3.12Å |
| 139 | S | 85.8 | Confident | 79.5 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -39 | -178.1 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | F83 D84 R135 L136 L137 K142 I143 | F83-S139 VanDerWaalsContact C-CB 3.49Å; F83-S139 WeakPolarHBondContact CB-OG 3.07Å; F83-S139 VanDerWaalsContact O-CB 3.27Å; F83-S139 WeakPolarHBondContact O-CB 2.87Å; D84-S139 PolarHBondContact N-OG 2.72Å; D84-S139 VanDerWaalsContact OD1-CB 3.26Å; D84-S139 WeakPolarHBondContact OD1-CB 3.18Å; D84-S139 PolarHBondContact OD1-OG 2.95Å; R135-S139 PolarHBondContact O-N 3.25Å; R135-S139 PolarHBondContact O-OG 2.93Å; L136-S139 PolarHBondContact O-N 3.44Å; L137-S139 PolarHBondContact O-N 2.88Å; S139-K142 PolarHBondContact O-N 3.05Å; S139-I143 WeakPolarHBondContact O-CG1 3.44Å; S139-I143 PolarHBondContact O-N 2.91Å; S139-I143 VanDerWaalsContact O-N 3.08Å |
| 140 | L | 87.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -40.7 | 176.4 | -73.2 | 167.9 | 0 | 0 | 0 | 112.6 | A87 V90 L97 L136 L137 H138 I143 G144 H145 A148 A149 V152 | A87-L140 HydrophobicContact CB-CD2 3.75Å; A87-L140 HydrophobicContact CB-CG 3.93Å; V90-L140 HydrophobicContact CB-CD2 4.36Å; V90-L140 HydrophobicContact CG1-CD2 4.2Å; L97-L140 HydrophobicContact CD1-CD1 4.33Å; L136-L140 HydrophobicContact CD1-CD1 4.16Å; L136-L140 HydrophobicContact CD1-CG 4.12Å; L136-L140 HydrophobicContact CG-CD1 3.88Å; L136-L140 HydrophobicContact CG-CG 4.33Å; L136-L140 WeakPolarHBondContact O-CB 3.34Å; L136-L140 VanDerWaalsContact O-CG 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.14Å; L136-L140 PolarHBondContact O-N 3.42Å; L137-L140 PolarHBondContact O-N 3.43Å; H138-L140 VanDerWaalsContact C-N 3.32Å; H138-L140 PolarHBondContact O-N 3.03Å; L140-I143 PolarHBondContact O-N 3.3Å; L140-G144 PolarHBondContact O-N 3.43Å; L140-H145 HydrophobicContact CD2-CB 4.18Å; L140-H145 PolarHBondContact O-N 2.94Å; L140-A148 HydrophobicContact CD1-CB 3.91Å; L140-A148 HydrophobicContact CD2-CB 3.8Å; L140-A148 HydrophobicContact CG-CB 4.41Å; L140-A149 HydrophobicContact CB-CB 4.21Å; L140-V152 HydrophobicContact CD1-CG2 3.59Å |
| 141 | I | 85.2 | Confident | 82.3 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 175.6 | -65.5 | 170.6 | 0 | 0 | 0 | 109.6 | L137 H138 I143 G144 W146 A149 T188 | L137-I141 HydrophobicContact CD1-CD1 3.85Å; L137-I141 HydrophobicContact CD1-CG1 4.16Å; L137-I141 HydrophobicContact CG-CD1 3.8Å; L137-I141 HydrophobicContact CG-CG1 4.46Å; L137-I141 WeakPolarHBondContact O-CG1 3.36Å; L137-I141 PolarHBondContact O-N 3.01Å; H138-I141 PolarHBondContact O-N 3.49Å; I141-I143 VanDerWaalsContact C-N 3.28Å; I141-I143 PolarHBondContact O-N 2.72Å; I141-G144 WeakPolarHBondContact O-CA 3.47Å; I141-G144 PolarHBondContact O-N 2.76Å; I141-W146 HydrophobicContact CB-CZ3 4.4Å; I141-W146 HydrophobicContact CG1-CZ3 4.25Å; I141-W146 HydrophobicContact CG2-CH2 3.69Å; I141-W146 HydrophobicContact CG2-CZ3 3.66Å; I141-A149 HydrophobicContact CG1-CB 3.91Å; I141-T188 HydrophobicContact CG2-CG2 3.44Å; I141-T188 VanDerWaalsContact CG2-CG2 3.44Å |
| 142 | K | 81.2 | Confident | 83.3 | Confident | 117 Ų | 117 | 40.8 Ų | 40.8 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.6 | -38.3 | 177.7 | -179.4 | -177.7 | 172.4 | -171 | 0 | 112.6 | D84 H138 S139 | D84-K142 IonicContact OD1-NZ 3.67Å; D84-K142 IonicContact OD2-NZ 2.76Å; D84-K142 PolarHBondContact OD2-NZ 3.31Å; H138-K142 WeakPolarHBondContact O-CB 3.38Å; H138-K142 PolarHBondContact O-N 3.46Å; S139-K142 PolarHBondContact O-N 3.05Å |
| 143 | I | 84.8 | Confident | 83.6 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -78.7 | -21.6 | 175.2 | -65.2 | 171 | 0 | 0 | 0 | 112.3 | A87 I88 Y91 S139 L140 I141 | A87-I143 VanDerWaalsContact C-CD1 3.44Å; A87-I143 HydrophobicContact CB-CD1 3.43Å; A87-I143 VanDerWaalsContact CB-CD1 3.43Å; I88-I143 HydrophobicContact CB-CD1 4.26Å; I88-I143 HydrophobicContact CG1-CD1 3.45Å; I88-I143 VanDerWaalsContact CG1-CD1 3.45Å; I88-I143 HydrophobicContact CG1-CG1 4.44Å; Y91-I143 HydrophobicContact CD2-CG2 3.55Å; Y91-I143 HydrophobicContact CE2-CG2 4.16Å; Y91-I143 HydrophobicContact CG-CG2 3.85Å; S139-I143 WeakPolarHBondContact O-CG1 3.44Å; S139-I143 PolarHBondContact O-N 2.91Å; S139-I143 VanDerWaalsContact O-N 3.08Å; L140-I143 PolarHBondContact O-N 3.3Å; I141-I143 VanDerWaalsContact C-N 3.28Å; I141-I143 PolarHBondContact O-N 2.72Å |
| 144 | G | 81.1 | Confident | 83.7 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 18.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L140 I141 W146 | L140-G144 PolarHBondContact O-N 3.43Å; I141-G144 WeakPolarHBondContact O-CA 3.47Å; I141-G144 PolarHBondContact O-N 2.76Å; G144-W146 VanDerWaalsContact C-N 3.34Å; G144-W146 PolarHBondContact O-N 3.3Å; G144-W146 VanDerWaalsContact O-N 3.09Å; G144-W146 PolarHBondContact O-NE1 3.03Å |
| 145 | H | 87.8 | Confident | 83.9 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 18% | 0.181 | 26% | 0.258 | C | S | . | . | trans | -85.1 | 68.4 | 177.6 | -157.3 | -68.9 | 0 | 0 | 0 | 112.5 | Y91 L140 T147 A148 A149 | Y91-H145 HydrophobicContact CD2-CB 3.9Å; Y91-H145 AromaticContact CD2-CD2 3.42Å; Y91-H145 VanDerWaalsContact CD2-CD2 3.42Å; Y91-H145 WeakPolarHBondContact CD2-CD2 3.31Å; Y91-H145 AromaticContact CG-CD2 3.99Å; L140-H145 HydrophobicContact CD2-CB 4.18Å; L140-H145 PolarHBondContact O-N 2.94Å; H145-T147 VanDerWaalsContact C-N 3.34Å; H145-T147 PolarHBondContact CE1-OG1 2.94Å; H145-T147 PolarHBondContact ND1-OG1 3.28Å; H145-T147 PolarHBondContact O-N 3.41Å; H145-A148 HydrophobicContact CB-CB 4.36Å; H145-A148 WeakPolarHBondContact ND1-CB 3.43Å; H145-A148 PolarHBondContact ND1-N 2.88Å; H145-A148 PolarHBondContact O-N 3.36Å; H145-A149 PolarHBondContact O-N 3.36Å | ||
| 146 | W | 84.8 | Confident | 83.6 | Confident | 153 Ų | 153 | 49.9 Ų | 49.9 | 58% | 0.58 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.5 | -33.2 | -170.2 | -56.3 | 102.1 | 0 | 0 | 0 | 115.6 | I141 G144 A149 K150 | I141-W146 HydrophobicContact CB-CZ3 4.4Å; I141-W146 HydrophobicContact CG1-CZ3 4.25Å; I141-W146 HydrophobicContact CG2-CH2 3.69Å; I141-W146 HydrophobicContact CG2-CZ3 3.66Å; G144-W146 VanDerWaalsContact C-N 3.34Å; G144-W146 PolarHBondContact O-N 3.3Å; G144-W146 VanDerWaalsContact O-N 3.09Å; G144-W146 PolarHBondContact O-NE1 3.03Å; W146-A149 PolarHBondContact O-N 3.39Å; W146-K150 WeakPolarHBondContact O-CB 3.31Å; W146-K150 PolarHBondContact O-N 2.89Å |
| 147 | T | 87.7 | Confident | 82.6 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 63% | 0.632 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.1 | -47.2 | 178.5 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | H145 K150 V151 | H145-T147 VanDerWaalsContact C-N 3.34Å; H145-T147 PolarHBondContact CE1-OG1 2.94Å; H145-T147 PolarHBondContact ND1-OG1 3.28Å; H145-T147 PolarHBondContact O-N 3.41Å; T147-K150 PolarHBondContact O-N 2.86Å; T147-V151 WeakPolarHBondContact O-CG2 3.46Å; T147-V151 PolarHBondContact O-N 2.82Å |
| 148 | A | 87.7 | Confident | 81.5 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | V90 L97 L140 H145 K150 V151 V152 | V90-A148 HydrophobicContact CG1-CB 4.06Å; L97-A148 VanDerWaalsContact CD2-CA 3.46Å; L97-A148 HydrophobicContact CD2-CB 3.47Å; L97-A148 VanDerWaalsContact CD2-CB 3.47Å; L97-A148 WeakPolarHBondContact CD2-O 3.43Å; L140-A148 HydrophobicContact CD1-CB 3.91Å; L140-A148 HydrophobicContact CD2-CB 3.8Å; L140-A148 HydrophobicContact CG-CB 4.41Å; H145-A148 HydrophobicContact CB-CB 4.36Å; H145-A148 WeakPolarHBondContact ND1-CB 3.43Å; H145-A148 PolarHBondContact ND1-N 2.88Å; H145-A148 PolarHBondContact O-N 3.36Å; A148-K150 PolarHBondContact O-N 3.31Å; A148-V151 WeakPolarHBondContact O-CB 3.48Å; A148-V151 PolarHBondContact O-N 3.41Å; A148-V152 WeakPolarHBondContact O-CG2 3.35Å; A148-V152 PolarHBondContact O-N 2.91Å |
| 149 | A | 86.4 | Confident | 80.4 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.5 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L137 L140 I141 H145 W146 V152 L153 | L137-A149 HydrophobicContact CD1-CB 3.69Å; L137-A149 VanDerWaalsContact CD1-O 3.3Å; L137-A149 WeakPolarHBondContact CD1-O 3.46Å; L140-A149 HydrophobicContact CB-CB 4.21Å; I141-A149 HydrophobicContact CG1-CB 3.91Å; H145-A149 PolarHBondContact O-N 3.36Å; W146-A149 PolarHBondContact O-N 3.39Å; A149-V152 PolarHBondContact O-N 2.98Å; A149-L153 PolarHBondContact O-N 2.95Å |
| 150 | K | 85.4 | Confident | 79 | Confident | 132 Ų | 132 | 60.8 Ų | 60.8 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 173.9 | -175.5 | -179.9 | 176.7 | -176.6 | 0 | 112.4 | W146 T147 A148 V152 L153 D154 | W146-K150 WeakPolarHBondContact O-CB 3.31Å; W146-K150 PolarHBondContact O-N 2.89Å; T147-K150 PolarHBondContact O-N 2.86Å; A148-K150 PolarHBondContact O-N 3.31Å; K150-V152 VanDerWaalsContact C-N 3.3Å; K150-V152 PolarHBondContact O-N 3.36Å; K150-L153 WeakPolarHBondContact O-CB 3.24Å; K150-L153 PolarHBondContact O-N 2.9Å; K150-L153 VanDerWaalsContact O-N 3.16Å; K150-D154 PolarHBondContact O-N 3.3Å |
| 151 | V | 86.5 | Confident | 77.3 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.4 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | L97 L101 T147 A148 D154 H155 | L97-V151 HydrophobicContact CD2-CB 3.8Å; L97-V151 HydrophobicContact CD2-CG1 3.89Å; L101-V151 HydrophobicContact CD1-CG1 3.76Å; T147-V151 WeakPolarHBondContact O-CG2 3.46Å; T147-V151 PolarHBondContact O-N 2.82Å; A148-V151 WeakPolarHBondContact O-CB 3.48Å; A148-V151 PolarHBondContact O-N 3.41Å; V151-D154 PolarHBondContact O-N 3.02Å; V151-H155 PolarHBondContact O-N 3.34Å; V151-H155 PolarHBondContact O-ND1 2.93Å |
| 152 | V | 84.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | L97 L101 K133 L136 L137 L140 A148 A149 K150 D154 H155 M156 | L97-V152 HydrophobicContact CD1-CG2 3.9Å; L97-V152 HydrophobicContact CD2-CG2 4.32Å; L101-V152 HydrophobicContact CD1-CB 4.44Å; L101-V152 HydrophobicContact CD1-CG2 3.99Å; L101-V152 HydrophobicContact CD2-CG1 4.32Å; L101-V152 HydrophobicContact CD2-CG2 4.18Å; K133-V152 HydrophobicContact CB-CG1 4.15Å; K133-V152 WeakPolarHBondContact O-CG1 3.34Å; L136-V152 HydrophobicContact CD2-CG2 4.27Å; L136-V152 HydrophobicContact CG-CG2 4.47Å; L137-V152 HydrophobicContact CB-CG1 4.08Å; L137-V152 HydrophobicContact CD1-CB 4.42Å; L140-V152 HydrophobicContact CD1-CG2 3.59Å; A148-V152 WeakPolarHBondContact O-CG2 3.35Å; A148-V152 PolarHBondContact O-N 2.91Å; A149-V152 PolarHBondContact O-N 2.98Å; K150-V152 VanDerWaalsContact C-N 3.3Å; K150-V152 PolarHBondContact O-N 3.36Å; V152-D154 PolarHBondContact O-N 3.27Å; V152-H155 CarbonylContact O-C 3.4Å; V152-H155 PolarHBondContact O-N 2.88Å; V152-H155 VanDerWaalsContact O-N 3.11Å; V152-M156 PolarHBondContact O-N 3Å |
| 153 | L | 79.4 | Confident | 73.6 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 176.3 | -78.3 | 165.5 | 0 | 0 | 0 | 112.4 | L137 A149 K150 H155 M156 | L137-L153 HydrophobicContact CD1-CD1 4.26Å; L137-L153 HydrophobicContact CD1-CG 3.95Å; L137-L153 HydrophobicContact CD2-CD2 3.67Å; L137-L153 HydrophobicContact CD2-CG 3.95Å; A149-L153 PolarHBondContact O-N 2.95Å; K150-L153 WeakPolarHBondContact O-CB 3.24Å; K150-L153 PolarHBondContact O-N 2.9Å; K150-L153 VanDerWaalsContact O-N 3.16Å; L153-H155 PolarHBondContact O-N 3.12Å; L153-M156 VanDerWaalsContact O-CB 3.29Å; L153-M156 WeakPolarHBondContact O-CB 3.33Å; L153-M156 WeakPolarHBondContact O-CG 3.39Å; L153-M156 PolarHBondContact O-N 3.11Å |
| 154 | D | 80 | Confident | 71.8 | Confident | 115 Ų | 115 | 77.3 Ų | 77.3 | 62% | 0.615 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.9 | -25.2 | 177.6 | -68.5 | -24.2 | 0 | 0 | 0 | 112.2 | K150 V151 V152 | K150-D154 PolarHBondContact O-N 3.3Å; V151-D154 PolarHBondContact O-N 3.02Å; V152-D154 PolarHBondContact O-N 3.27Å |
| 155 | H | 77.8 | Confident | 70.1 | Confident | 74 Ų | 74 | 82.1 Ų | 82.1 | 34% | 0.343 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.8 | 176.1 | -71.9 | 82.5 | 0 | 0 | 0 | 114 | L101 K133 V151 V152 L153 | L101-H155 HydrophobicContact CB-CB 4.32Å; L101-H155 HydrophobicContact CD1-CB 4.2Å; L101-H155 HydrophobicContact CD2-CB 4.45Å; K133-H155 PolarHBondContact NZ-O 2.87Å; V151-H155 PolarHBondContact O-N 3.34Å; V151-H155 PolarHBondContact O-ND1 2.93Å; V152-H155 CarbonylContact O-C 3.4Å; V152-H155 PolarHBondContact O-N 2.88Å; V152-H155 VanDerWaalsContact O-N 3.11Å; L153-H155 PolarHBondContact O-N 3.12Å |
| 156 | M | 73.3 | Confident | 68.2 | Low | 30 Ų | 30 | 86.8 Ų | 86.8 | 15% | 0.148 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -69.7 | 133.1 | 173.7 | -69.4 | -66.1 | -81.6 | 0 | 0 | 109.6 | K133 L134 V152 L153 Y160 | K133-M156 HydrophobicContact CB-SD 3.61Å; K133-M156 HydrophobicContact CD-SD 4.06Å; K133-M156 HydrophobicContact CG-SD 4.49Å; L134-M156 HydrophobicContact CD1-CE 4.28Å; L134-M156 HydrophobicContact CD2-CE 3.62Å; L134-M156 HydrophobicContact CG-CE 3.62Å; V152-M156 PolarHBondContact O-N 3Å; L153-M156 VanDerWaalsContact O-CB 3.29Å; L153-M156 WeakPolarHBondContact O-CB 3.33Å; L153-M156 WeakPolarHBondContact O-CG 3.39Å; L153-M156 PolarHBondContact O-N 3.11Å; M156-Y160 HydrophobicContact CB-CD2 4.06Å; M156-Y160 HydrophobicContact CE-CD1 3.94Å; M156-Y160 HydrophobicContact CE-CD2 3.56Å; M156-Y160 HydrophobicContact CE-CE1 3.74Å; M156-Y160 HydrophobicContact CE-CE2 3.34Å; M156-Y160 HydrophobicContact CE-CG 3.86Å; M156-Y160 VanDerWaalsContact CE-CZ 3.43Å; M156-Y160 HydrophobicContact SD-CD2 4.47Å; M156-Y160 HydrophobicContact SD-CE2 4.22Å |
| 157 | P | 63.8 | Low | 66.6 | Low | 38 Ų | 38 | 82.7 Ų | 82.7 | 25% | 0.247 | 45% | 0.446 | C | S | . | . | trans | -49.1 | 141.4 | 173.6 | -27.3 | 29 | 0 | 0 | 0 | 113.6 | H159 Y160 | P157-H159 WeakPolarHBondContact CB-CE1 3.46Å; P157-H159 WeakPolarHBondContact CB-ND1 3.47Å; P157-H159 PolarHBondContact O-N 3.04Å; P157-Y160 HydrophobicContact CB-CD2 3.99Å; P157-Y160 HydrophobicContact CB-CE2 4.2Å; P157-Y160 HydrophobicContact CG-CD2 4.08Å; P157-Y160 HydrophobicContact CG-CE2 3.84Å; P157-Y160 WeakPolarHBondContact O-CB 3.41Å; P157-Y160 WeakPolarHBondContact O-CD2 3.02Å; P157-Y160 PolarHBondContact O-N 3.44Å | ||
| 158 | A | 60 | Low | 64.8 | Low | 77 Ų | 77 | 84.6 Ų | 84.6 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -57.7 | -18.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y160 S161 T162 | A158-Y160 PolarHBondContact O-N 3.02Å; A158-S161 PolarHBondContact O-N 2.99Å; A158-S161 PolarHBondContact O-OG 3.38Å; A158-T162 PolarHBondContact O-N 3.48Å |
| 159 | H | 58.1 | Low | 63 | Low | 75 Ų | 75 | 93.7 Ų | 93.7 | 35% | 0.347 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -72.3 | -16.1 | 179.8 | 68.7 | -111.4 | 0 | 0 | 0 | 113.5 | P157 S161 T162 F164 | P157-H159 WeakPolarHBondContact CB-CE1 3.46Å; P157-H159 WeakPolarHBondContact CB-ND1 3.47Å; P157-H159 PolarHBondContact O-N 3.04Å; H159-S161 PolarHBondContact O-N 2.79Å; H159-T162 VanDerWaalsContact CA-OG1 3.31Å; H159-T162 WeakPolarHBondContact CA-OG1 3.31Å; H159-T162 PolarHBondContact O-N 3.15Å; H159-T162 PolarHBondContact O-OG1 3.01Å; H159-T162 VanDerWaalsContact O-OG1 3.1Å; H159-F164 HydrophobicContact CB-CE2 3.46Å; H159-F164 VanDerWaalsContact CB-CE2 3.46Å; H159-F164 HydrophobicContact CB-CZ 3.79Å; H159-F164 AromaticContact CD2-CE2 3.85Å; H159-F164 AromaticContact CG-CE2 3.89Å |
| 160 | Y | 56.2 | Low | 61.2 | Low | 73 Ų | 73 | 100.2 Ų | 100.2 | 29% | 0.286 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -66.6 | -21.2 | 165.2 | -73.2 | -75.4 | 0 | 0 | 0 | 112.9 | G130 L134 M156 P157 A158 E177 | G130-Y160 WeakPolarHBondContact CA-OH 3.22Å; G130-Y160 PolarHBondContact O-OH 3.47Å; L134-Y160 HydrophobicContact CD1-CE1 4.02Å; M156-Y160 HydrophobicContact CB-CD2 4.06Å; M156-Y160 HydrophobicContact CE-CD1 3.94Å; M156-Y160 HydrophobicContact CE-CD2 3.56Å; M156-Y160 HydrophobicContact CE-CE1 3.74Å; M156-Y160 HydrophobicContact CE-CE2 3.34Å; M156-Y160 HydrophobicContact CE-CG 3.86Å; M156-Y160 VanDerWaalsContact CE-CZ 3.43Å; M156-Y160 HydrophobicContact SD-CD2 4.47Å; M156-Y160 HydrophobicContact SD-CE2 4.22Å; P157-Y160 HydrophobicContact CB-CD2 3.99Å; P157-Y160 HydrophobicContact CB-CE2 4.2Å; P157-Y160 HydrophobicContact CG-CD2 4.08Å; P157-Y160 HydrophobicContact CG-CE2 3.84Å; P157-Y160 WeakPolarHBondContact O-CB 3.41Å; P157-Y160 WeakPolarHBondContact O-CD2 3.02Å; P157-Y160 PolarHBondContact O-N 3.44Å; A158-Y160 PolarHBondContact O-N 3.02Å; Y160-E177 VanDerWaalsContact CE1-OE1 3.31Å; Y160-E177 WeakPolarHBondContact CE1-OE1 3.24Å; Y160-E177 WeakPolarHBondContact CE1-OE2 3.39Å; Y160-E177 VanDerWaalsContact CZ-OE1 3.24Å; Y160-E177 PolarHBondContact OH-OE1 3.34Å |
| 161 | S | 51.2 | Low | 59.7 | Low | 106 Ų | 106 | 100.1 Ų | 100.1 | 74% | 0.741 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -8.6 | 176.4 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | A158 H159 | A158-S161 PolarHBondContact O-N 2.99Å; A158-S161 PolarHBondContact O-OG 3.38Å; H159-S161 PolarHBondContact O-N 2.79Å |
| 162 | T | 45.7 | Very low | 58.3 | Low | 81 Ų | 81 | 101.7 Ų | 101.7 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -100.4 | 133.2 | 179.4 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | A158 H159 F164 | A158-T162 PolarHBondContact O-N 3.48Å; H159-T162 VanDerWaalsContact CA-OG1 3.31Å; H159-T162 WeakPolarHBondContact CA-OG1 3.31Å; H159-T162 PolarHBondContact O-N 3.15Å; H159-T162 PolarHBondContact O-OG1 3.01Å; H159-T162 VanDerWaalsContact O-OG1 3.1Å; T162-F164 PolarHBondContact O-N 3.22Å; T162-F164 VanDerWaalsContact O-N 3.08Å |
| 163 | R | 43.1 | Very low | 56.8 | Low | 244 Ų | 244 | 106.4 Ų | 106.4 | 92% | 0.921 | 55% | 0.552 | S | S | * | * | trans | -63.1 | 107 | 168.8 | -71.7 | -178.5 | 176.8 | 176.7 | -1.8 | 109.4 | ||||
| 164 | F | 46.4 | Very low | 56.1 | Low | 111 Ų | 111 | 107.8 Ų | 107.8 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | trans | -73.3 | 140.4 | -176.9 | -105.9 | -80.8 | 0 | 0 | 0 | 113.4 | H159 T162 | H159-F164 HydrophobicContact CB-CE2 3.46Å; H159-F164 VanDerWaalsContact CB-CE2 3.46Å; H159-F164 HydrophobicContact CB-CZ 3.79Å; H159-F164 AromaticContact CD2-CE2 3.85Å; H159-F164 AromaticContact CG-CE2 3.89Å; T162-F164 PolarHBondContact O-N 3.22Å; T162-F164 VanDerWaalsContact O-N 3.08Å | ||
| 165 | T | 45.9 | Very low | 55.5 | Low | 130 Ų | 130 | 108.2 Ų | 108.2 | 80% | 0.798 | 55% | 0.553 | S | S | * | * | trans | -120.7 | 5.8 | 178.1 | 33.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 166 | D | 47.7 | Very low | 55 | Low | 136 Ų | 136 | 108.4 Ų | 108.4 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | trans | -108.1 | 103.9 | 179.6 | -73.9 | -34 | 0 | 0 | 0 | 112.1 | ||||
| 167 | A | 51.2 | Low | 54.9 | Low | 68 Ų | 68 | 108.3 Ų | 108.3 | 56% | 0.562 | 56% | 0.556 | S | S | * | * | trans | -107.5 | 9.7 | -149.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | K171 | A167-K171 WeakPolarHBondContact O-CE 3.48Š| ||
| 168 | N | 49.5 | Very low | 55.5 | Low | 143 Ų | 143 | 108.9 Ų | 108.9 | 77% | 0.765 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -117.5 | -29.5 | -172.2 | -75.6 | -17.2 | 0 | 0 | 0 | 117.6 | ||
| 169 | E | 50.3 | Low | 56.3 | Low | 194 Ų | 194 | 108.7 Ų | 108.7 | 91% | 0.907 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -100.7 | -10.3 | -176 | -72.8 | -173.8 | 167.5 | 0 | 0 | 115.3 | ||
| 170 | R | 49 | Very low | 57.2 | Low | 140 Ų | 140 | 105.8 Ų | 105.8 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | trans | -117.3 | 16.5 | -174.7 | -59.1 | -167.6 | -152.5 | 178.3 | 6.4 | 116.1 | S172 E173 F174 | R170-S172 PolarHBondContact O-N 3.44Å; R170-E173 PolarHBondContact O-N 2.64Å; R170-F174 PolarHBondContact O-N 3.25Å; R170-F174 VanDerWaalsContact O-N 3.16Å | ||
| 171 | K | 53.7 | Low | 58.4 | Low | 131 Ų | 131 | 105.6 Ų | 105.6 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.2 | -44.6 | -179.2 | -78.4 | -175.1 | 177.4 | 178.1 | 0 | 112.8 | A167 E173 F174 E175 | A167-K171 WeakPolarHBondContact O-CE 3.48Å; K171-E173 PolarHBondContact O-N 3.24Å; K171-F174 PolarHBondContact O-N 3.05Å; K171-E175 VanDerWaalsContact O-CG 3.31Å; K171-E175 WeakPolarHBondContact O-CG 3.35Å; K171-E175 PolarHBondContact O-N 3.39Å |
| 172 | S | 56.6 | Low | 60 | Low | 73 Ų | 73 | 102.3 Ų | 102.3 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.8 | -34.4 | -177.9 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | R170 N176 | R170-S172 PolarHBondContact O-N 3.44Å; S172-N176 PolarHBondContact O-N 2.92Å; S172-N176 PolarHBondContact O-ND2 3.33Å |
| 173 | E | 54.4 | Low | 61.8 | Low | 99 Ų | 99 | 101.9 Ų | 101.9 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -48 | 175.2 | -70.6 | 178.7 | 169.3 | 0 | 0 | 109.8 | R170 K171 E175 N176 E177 | R170-E173 PolarHBondContact O-N 2.64Å; K171-E173 PolarHBondContact O-N 3.24Å; E173-E175 PolarHBondContact O-N 3.03Å; E173-N176 PolarHBondContact O-N 3.36Å; E173-E177 WeakPolarHBondContact O-CG 3.42Å; E173-E177 PolarHBondContact O-N 3.15Å; E173-E177 VanDerWaalsContact O-N 3.14Å |
| 174 | F | 64.5 | Low | 63.8 | Low | 125 Ų | 125 | 90.7 Ų | 90.7 | 55% | 0.548 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 178.5 | -173 | -112.2 | 0 | 0 | 0 | 113.4 | R170 K171 N176 E177 I178 | R170-F174 PolarHBondContact O-N 3.25Å; R170-F174 VanDerWaalsContact O-N 3.16Å; K171-F174 PolarHBondContact O-N 3.05Å; F174-N176 PolarHBondContact O-N 3.41Å; F174-E177 PolarHBondContact O-N 2.78Å; F174-I178 HydrophobicContact CD1-CD1 3.67Å; F174-I178 HydrophobicContact CD1-CG1 4.49Å; F174-I178 HydrophobicContact CE1-CD1 3.21Å; F174-I178 HydrophobicContact CE1-CG1 4.21Å; F174-I178 HydrophobicContact CE2-CD1 4.28Å; F174-I178 HydrophobicContact CE2-CG1 4.5Å; F174-I178 HydrophobicContact CG-CD1 4.39Å; F174-I178 HydrophobicContact CZ-CD1 3.57Å; F174-I178 HydrophobicContact CZ-CG1 4.21Å; F174-I178 WeakPolarHBondContact O-CG1 3.33Å; F174-I178 PolarHBondContact O-N 3.04Å |
| 175 | E | 67.2 | Low | 65.8 | Low | 124 Ų | 124 | 85.5 Ų | 85.5 | 58% | 0.579 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.1 | -41.8 | 174.6 | -77.5 | 169.7 | -171.2 | 0 | 0 | 112.2 | K171 E173 S179 | K171-E175 VanDerWaalsContact O-CG 3.31Å; K171-E175 WeakPolarHBondContact O-CG 3.35Å; K171-E175 PolarHBondContact O-N 3.39Å; E173-E175 PolarHBondContact O-N 3.03Å; E175-S179 WeakPolarHBondContact O-CB 3.35Å; E175-S179 PolarHBondContact O-N 3.24Å |
| 176 | N | 66.9 | Low | 67.7 | Low | 79 Ų | 79 | 80.7 Ų | 80.7 | 42% | 0.422 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 176.7 | -75.3 | -45.6 | 0 | 0 | 0 | 112.4 | S172 E173 F174 S179 T180 | S172-N176 PolarHBondContact O-N 2.92Å; S172-N176 PolarHBondContact O-ND2 3.33Å; E173-N176 PolarHBondContact O-N 3.36Å; F174-N176 PolarHBondContact O-N 3.41Å; N176-S179 PolarHBondContact O-N 2.76Å; N176-T180 PolarHBondContact O-N 3.2Å; N176-T180 PolarHBondContact O-OG1 3.39Å |
| 177 | E | 71.6 | Confident | 69.5 | Low | 28 Ų | 28 | 77.6 Ų | 77.6 | 13% | 0.131 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 176.5 | -65.1 | -179.4 | 158.7 | 0 | 0 | 111.6 | N131 L134 Y160 E173 F174 S179 T180 L181 | N131-E177 WeakPolarHBondContact OD1-CG 3.34Å; N131-E177 PolarHBondContact OD1-OE1 2.92Å; L134-E177 HydrophobicContact CD1-CB 3.74Å; L134-E177 HydrophobicContact CD1-CG 3.69Å; Y160-E177 VanDerWaalsContact CE1-OE1 3.31Å; Y160-E177 WeakPolarHBondContact CE1-OE1 3.24Å; Y160-E177 WeakPolarHBondContact CE1-OE2 3.39Å; Y160-E177 VanDerWaalsContact CZ-OE1 3.24Å; Y160-E177 PolarHBondContact OH-OE1 3.34Å; E173-E177 WeakPolarHBondContact O-CG 3.42Å; E173-E177 PolarHBondContact O-N 3.15Å; E173-E177 VanDerWaalsContact O-N 3.14Å; F174-E177 PolarHBondContact O-N 2.78Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.4Å; E177-T180 PolarHBondContact O-N 3.31Å; E177-T180 VanDerWaalsContact O-N 3.17Å; E177-L181 WeakPolarHBondContact O-CG 3.13Å; E177-L181 PolarHBondContact O-N 3.42Å |
| 178 | I | 75.8 | Confident | 71.1 | Confident | 49 Ų | 49 | 75 Ų | 75 | 25% | 0.251 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 174.5 | -72.3 | 175.2 | 0 | 0 | 0 | 110.1 | F174 T180 L181 L182 F213 | F174-I178 HydrophobicContact CD1-CD1 3.67Å; F174-I178 HydrophobicContact CD1-CG1 4.49Å; F174-I178 HydrophobicContact CE1-CD1 3.21Å; F174-I178 HydrophobicContact CE1-CG1 4.21Å; F174-I178 HydrophobicContact CE2-CD1 4.28Å; F174-I178 HydrophobicContact CE2-CG1 4.5Å; F174-I178 HydrophobicContact CG-CD1 4.39Å; F174-I178 HydrophobicContact CZ-CD1 3.57Å; F174-I178 HydrophobicContact CZ-CG1 4.21Å; F174-I178 WeakPolarHBondContact O-CG1 3.33Å; F174-I178 PolarHBondContact O-N 3.04Å; I178-T180 VanDerWaalsContact C-N 3.27Å; I178-T180 PolarHBondContact O-N 3.41Å; I178-L181 PolarHBondContact O-N 3.41Å; I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.2Å; I178-L182 VanDerWaalsContact O-CG 3.32Å; I178-L182 WeakPolarHBondContact O-CG 3.48Å; I178-L182 PolarHBondContact O-N 3.29Å; I178-F213 HydrophobicContact CG2-CE1 4.35Å |
| 179 | S | 77.7 | Confident | 73.1 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | E175 N176 E177 L182 D183 | E175-S179 WeakPolarHBondContact O-CB 3.35Å; E175-S179 PolarHBondContact O-N 3.24Å; N176-S179 PolarHBondContact O-N 2.76Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.4Å; S179-L182 PolarHBondContact O-N 3.12Å; S179-D183 WeakPolarHBondContact O-CB 3.22Å; S179-D183 PolarHBondContact O-N 3.45Å |
| 180 | T | 76.6 | Confident | 75.1 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.7 | -54 | 0 | 0 | 0 | 0 | 111.2 | L134 R135 N176 E177 I178 D183 I184 | L134-T180 HydrophobicContact CB-CG2 4.14Å; R135-T180 HydrophobicContact CG-CG2 4.09Å; N176-T180 PolarHBondContact O-N 3.2Å; N176-T180 PolarHBondContact O-OG1 3.39Å; E177-T180 PolarHBondContact O-N 3.31Å; E177-T180 VanDerWaalsContact O-N 3.17Å; I178-T180 VanDerWaalsContact C-N 3.27Å; I178-T180 PolarHBondContact O-N 3.41Å; T180-D183 PolarHBondContact O-N 3.22Å; T180-I184 HydrophobicContact CG2-CD1 4.36Å; T180-I184 VanDerWaalsContact O-CG1 3.31Å; T180-I184 WeakPolarHBondContact O-CG1 3.25Å; T180-I184 PolarHBondContact O-N 2.93Å |
| 181 | L | 82.1 | Confident | 77.1 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 37% | 0.366 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.9 | -73.1 | 170.9 | 0 | 0 | 0 | 112.4 | L134 E177 I178 D183 I184 C185 | L134-L181 HydrophobicContact CD2-CD2 4.21Å; E177-L181 WeakPolarHBondContact O-CG 3.13Å; E177-L181 PolarHBondContact O-N 3.42Å; I178-L181 PolarHBondContact O-N 3.41Å; L181-D183 VanDerWaalsContact C-N 3.34Å; L181-I184 PolarHBondContact O-N 3.27Å; L181-C185 PolarHBondContact O-N 3.16Å; L181-C185 PolarHBondContact O-SG 3.22Å |
| 182 | L | 85 | Confident | 78.8 | Confident | 37 Ų | 37 | 51.4 Ų | 51.4 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 176.2 | -68.3 | 175.5 | 0 | 0 | 0 | 111.5 | I178 S179 C185 C186 F213 I217 L221 | I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.2Å; I178-L182 VanDerWaalsContact O-CG 3.32Å; I178-L182 WeakPolarHBondContact O-CG 3.48Å; I178-L182 PolarHBondContact O-N 3.29Å; S179-L182 PolarHBondContact O-N 3.12Å; L182-C185 WeakPolarHBondContact O-CB 3.49Å; L182-C185 PolarHBondContact O-N 2.77Å; L182-C186 VanDerWaalsContact O-CB 3.32Å; L182-C186 WeakPolarHBondContact O-CB 3.5Å; L182-C186 PolarHBondContact O-N 3.28Å; L182-F213 HydrophobicContact CD2-CD1 3.92Å; L182-F213 HydrophobicContact CD2-CD2 4.26Å; L182-F213 HydrophobicContact CD2-CE1 3.7Å; L182-F213 HydrophobicContact CD2-CE2 4.06Å; L182-F213 HydrophobicContact CD2-CG 4.2Å; L182-F213 HydrophobicContact CD2-CZ 3.77Å; L182-F213 HydrophobicContact CG-CE1 4.28Å; L182-F213 HydrophobicContact CG-CZ 4.49Å; L182-I217 HydrophobicContact CD1-CG2 3.87Å; L182-I217 HydrophobicContact CD2-CG2 3.47Å; L182-I217 VanDerWaalsContact CD2-CG2 3.47Å; L182-I217 HydrophobicContact CG-CG2 4.35Å; L182-L221 HydrophobicContact CB-CD2 4.43Å; L182-L221 HydrophobicContact CD2-CD1 3.93Å; L182-L221 HydrophobicContact CD2-CD2 4.22Å; L182-L221 HydrophobicContact CD2-CG 4.37Å |
| 183 | D | 82.7 | Confident | 80.5 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 174.8 | -172 | 40.2 | 0 | 0 | 0 | 111.7 | H138 S179 T180 L181 C185 C186 T187 | H138-D183 IonicContact CE1-OD2 3.3Å; H138-D183 PolarHBondContact CE1-OD2 3.09Å; H138-D183 IonicContact ND1-OD2 2.89Å; H138-D183 PolarHBondContact ND1-OD2 3.31Å; S179-D183 WeakPolarHBondContact O-CB 3.22Å; S179-D183 PolarHBondContact O-N 3.45Å; T180-D183 PolarHBondContact O-N 3.22Å; L181-D183 VanDerWaalsContact C-N 3.34Å; D183-C185 VanDerWaalsContact C-N 3.32Å; D183-C185 PolarHBondContact O-N 3.34Å; D183-C186 PolarHBondContact O-N 3.46Å; D183-T187 WeakPolarHBondContact O-CB 3.31Å; D183-T187 WeakPolarHBondContact O-CG2 3.28Å; D183-T187 PolarHBondContact O-N 3.41Å; D183-T187 PolarHBondContact O-OG1 3.21Å; D183-T187 VanDerWaalsContact OD1-CG2 3.25Å; D183-T187 WeakPolarHBondContact OD1-CG2 3.48Å |
| 184 | I | 85.5 | Confident | 82.3 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 172.7 | -67.4 | 164.1 | 0 | 0 | 0 | 111.1 | H138 T180 L181 C186 T188 L189 | H138-I184 HydrophobicContact CB-CD1 3.73Å; H138-I184 HydrophobicContact CB-CG1 3.44Å; H138-I184 VanDerWaalsContact CB-CG1 3.44Å; T180-I184 HydrophobicContact CG2-CD1 4.36Å; T180-I184 VanDerWaalsContact O-CG1 3.31Å; T180-I184 WeakPolarHBondContact O-CG1 3.25Å; T180-I184 PolarHBondContact O-N 2.93Å; L181-I184 PolarHBondContact O-N 3.27Å; I184-C186 VanDerWaalsContact C-N 3.34Å; I184-C186 PolarHBondContact O-N 3.01Å; I184-T188 WeakPolarHBondContact O-CA 3.37Å; I184-T188 WeakPolarHBondContact O-CB 3.43Å; I184-T188 PolarHBondContact O-N 2.78Å; I184-L189 HydrophobicContact CG2-CD1 3.99Å; I184-L189 HydrophobicContact CG2-CG 3.94Å; I184-L189 PolarHBondContact O-N 3.45Å |
| 185 | C | 88.9 | Confident | 83.5 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -60.2 | -46.7 | 178.3 | -68.3 | 0 | 0 | 0 | 0 | 111.2 | L181 L182 D183 L189 L190 L221 | L181-C185 PolarHBondContact O-N 3.16Å; L181-C185 PolarHBondContact O-SG 3.22Å; L182-C185 WeakPolarHBondContact O-CB 3.49Å; L182-C185 PolarHBondContact O-N 2.77Å; D183-C185 VanDerWaalsContact C-N 3.32Å; D183-C185 PolarHBondContact O-N 3.34Å; C185-L189 PolarHBondContact O-N 3.37Å; C185-L190 WeakPolarHBondContact O-CB 3.48Å; C185-L190 WeakPolarHBondContact O-CG 3.4Å; C185-L190 PolarHBondContact O-N 3.5Å; C185-L221 HydrophobicContact CB-CD1 4.38Å; C185-L221 HydrophobicContact CB-CD2 4.41Å |
| 186 | C | 85.8 | Confident | 84.6 | Confident | 29 Ų | 29 | 38.7 Ų | 38.7 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -72.8 | -46.9 | -174.6 | -171.8 | 0 | 0 | 0 | 0 | 113.3 | L182 D183 I184 P191 L221 E224 | L182-C186 VanDerWaalsContact O-CB 3.32Å; L182-C186 WeakPolarHBondContact O-CB 3.5Å; L182-C186 PolarHBondContact O-N 3.28Å; D183-C186 PolarHBondContact O-N 3.46Å; I184-C186 VanDerWaalsContact C-N 3.34Å; I184-C186 PolarHBondContact O-N 3.01Å; C186-P191 WeakPolarHBondContact O-CD 3.46Å; C186-P191 VanDerWaalsContact O-CG 3.28Å; C186-P191 WeakPolarHBondContact O-CG 3.46Å; C186-L221 HydrophobicContact CB-CD2 4.06Å; C186-E224 WeakPolarHBondContact SG-CB 3.18Å |
| 187 | T | 83.6 | Confident | 85.5 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 44% | 0.436 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -85.9 | -27.4 | -172.8 | 60 | 0 | 0 | 0 | 0 | 113 | H138 D183 | H138-T187 PolarHBondContact NE2-OG1 3.29Å; H138-T187 VanDerWaalsContact NE2-OG1 3.12Å; D183-T187 WeakPolarHBondContact O-CB 3.31Å; D183-T187 WeakPolarHBondContact O-CG2 3.28Å; D183-T187 PolarHBondContact O-N 3.41Å; D183-T187 PolarHBondContact O-OG1 3.21Å; D183-T187 VanDerWaalsContact OD1-CG2 3.25Å; D183-T187 WeakPolarHBondContact OD1-CG2 3.48Å |
| 188 | T | 86.4 | Confident | 86.3 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -123 | -59 | -168.6 | -52 | 0 | 0 | 0 | 0 | 112.5 | I141 I184 S192 | I141-T188 HydrophobicContact CG2-CG2 3.44Å; I141-T188 VanDerWaalsContact CG2-CG2 3.44Å; I184-T188 WeakPolarHBondContact O-CA 3.37Å; I184-T188 WeakPolarHBondContact O-CB 3.43Å; I184-T188 PolarHBondContact O-N 2.78Å; T188-S192 WeakPolarHBondContact O-CB 3.48Å; T188-S192 PolarHBondContact O-N 3.37Å; T188-S192 PolarHBondContact O-OG 2.98Å |
| 189 | L | 90.7 | Very high | 87 | Confident | 45 Ų | 45 | 42.1 Ų | 42.1 | 24% | 0.236 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -70.6 | -49.2 | -169.2 | -60.8 | 177.3 | 0 | 0 | 0 | 113.5 | I184 C185 S192 L193 M206 L209 | I184-L189 HydrophobicContact CG2-CD1 3.99Å; I184-L189 HydrophobicContact CG2-CG 3.94Å; I184-L189 PolarHBondContact O-N 3.45Å; C185-L189 PolarHBondContact O-N 3.37Å; L189-S192 WeakPolarHBondContact O-CB 3.38Å; L189-S192 PolarHBondContact O-N 3.15Å; L189-L193 PolarHBondContact O-N 3.36Å; L189-M206 HydrophobicContact CB-CE 3.6Å; L189-M206 HydrophobicContact CB-SD 4.3Å; L189-M206 WeakPolarHBondContact O-CE 3.45Å; L189-L209 HydrophobicContact CD1-CD2 3.65Å |
| 190 | L | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -45.5 | -179.9 | -69.3 | 173.3 | 0 | 0 | 0 | 112.4 | C185 S192 L193 T194 M206 L210 L221 W225 | C185-L190 WeakPolarHBondContact O-CB 3.48Å; C185-L190 WeakPolarHBondContact O-CG 3.4Å; C185-L190 PolarHBondContact O-N 3.5Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3.23Å; L190-L193 WeakPolarHBondContact O-CB 3.34Å; L190-L193 PolarHBondContact O-N 2.88Å; L190-T194 PolarHBondContact O-N 3.47Å; L190-M206 HydrophobicContact CD2-CE 4.33Å; L190-M206 HydrophobicContact CD2-CG 3.83Å; L190-M206 HydrophobicContact CD2-SD 3.89Å; L190-L210 HydrophobicContact CD2-CD1 4.4Å; L190-L221 HydrophobicContact CD1-CB 4.11Å; L190-W225 HydrophobicContact CB-CB 4.45Å; L190-W225 HydrophobicContact CB-CD2 3.89Å; L190-W225 HydrophobicContact CB-CE3 4.42Å; L190-W225 HydrophobicContact CB-CG 3.89Å; L190-W225 HydrophobicContact CD1-CB 4.21Å; L190-W225 HydrophobicContact CD1-CD2 4.36Å; L190-W225 HydrophobicContact CD1-CE3 4.29Å; L190-W225 HydrophobicContact CD1-CG 4.36Å; L190-W225 HydrophobicContact CD2-CD2 4.17Å; L190-W225 HydrophobicContact CD2-CE3 3.86Å; L190-W225 HydrophobicContact CD2-CH2 4.14Å; L190-W225 HydrophobicContact CD2-CZ2 4.46Å; L190-W225 HydrophobicContact CD2-CZ3 3.85Å; L190-W225 HydrophobicContact CG-CD2 4.37Å; L190-W225 HydrophobicContact CG-CE3 4.42Å; L190-W225 PolarHBondContact O-NE1 2.89Å |
| 191 | P | 89.9 | Confident | 88.7 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 14% | 0.143 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 170.8 | -28 | 37.6 | 0 | 0 | 0 | 113 | C186 L193 T194 L195 L235 | C186-P191 WeakPolarHBondContact O-CD 3.46Å; C186-P191 VanDerWaalsContact O-CG 3.28Å; C186-P191 WeakPolarHBondContact O-CG 3.46Å; P191-L193 VanDerWaalsContact C-N 3.33Å; P191-L193 PolarHBondContact O-N 3.07Å; P191-T194 WeakPolarHBondContact O-CB 3.23Å; P191-T194 PolarHBondContact O-N 3.47Å; P191-T194 VanDerWaalsContact O-N 3.13Å; P191-L195 WeakPolarHBondContact O-CG 3.28Å; P191-L195 PolarHBondContact O-N 2.73Å; P191-L235 HydrophobicContact CB-CD1 4.38Å |
| 192 | S | 89.8 | Confident | 89.2 | Confident | 46 Ų | 46 | 42.3 Ų | 42.3 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 176.9 | -64 | 0 | 0 | 0 | 0 | 111.9 | T188 L189 L190 T194 L195 I196 | T188-S192 WeakPolarHBondContact O-CB 3.48Å; T188-S192 PolarHBondContact O-N 3.37Å; T188-S192 PolarHBondContact O-OG 2.98Å; L189-S192 WeakPolarHBondContact O-CB 3.38Å; L189-S192 PolarHBondContact O-N 3.15Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3.23Å; S192-T194 PolarHBondContact O-N 2.88Å; S192-L195 PolarHBondContact O-N 3.27Å; S192-I196 WeakPolarHBondContact O-CG2 3.49Å; S192-I196 PolarHBondContact O-N 3.2Å |
| 193 | L | 92.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -32.9 | 175.2 | -176.7 | 61 | 0 | 0 | 0 | 112.4 | L189 L190 P191 I196 A202 M206 W225 S266 L299 | L189-L193 PolarHBondContact O-N 3.36Å; L190-L193 WeakPolarHBondContact O-CB 3.34Å; L190-L193 PolarHBondContact O-N 2.88Å; P191-L193 VanDerWaalsContact C-N 3.33Å; P191-L193 PolarHBondContact O-N 3.07Å; L193-I196 HydrophobicContact CD1-CD1 4.04Å; L193-I196 WeakPolarHBondContact O-CG1 3.46Å; L193-A202 HydrophobicContact CD1-CB 3.98Å; L193-M206 HydrophobicContact CB-CE 4.49Å; L193-M206 HydrophobicContact CD2-CB 4.2Å; L193-M206 HydrophobicContact CD2-CG 4.17Å; L193-W225 HydrophobicContact CB-CZ2 4.48Å; L193-W225 HydrophobicContact CD2-CH2 3.87Å; L193-W225 HydrophobicContact CD2-CZ2 4.23Å; L193-S266 CarbonylContact C-O 3.52Å; L193-S266 PolarHBondContact O-OG 3.08Å; L193-L299 HydrophobicContact CD2-CD2 3.77Å |
| 194 | T | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.6 | -33.9 | 174.3 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | L190 P191 S192 W225 L235 K238 S266 Y267 | L190-T194 PolarHBondContact O-N 3.47Å; P191-T194 WeakPolarHBondContact O-CB 3.23Å; P191-T194 PolarHBondContact O-N 3.47Å; P191-T194 VanDerWaalsContact O-N 3.13Å; S192-T194 PolarHBondContact O-N 2.88Å; T194-W225 PolarHBondContact OG1-NE1 3.35Å; T194-L235 HydrophobicContact CG2-CD2 3.78Å; T194-K238 HydrophobicContact CG2-CB 4.33Å; T194-K238 HydrophobicContact CG2-CG 3.85Å; T194-S266 VanDerWaalsContact CA-O 3.24Å; T194-S266 WeakPolarHBondContact CA-O 3.04Å; T194-S266 WeakPolarHBondContact CA-OG 3.19Å; T194-S266 PolarHBondContact N-O 3.41Å; T194-S266 PolarHBondContact O-OG 3.27Å; T194-S266 VanDerWaalsContact O-OG 3.05Å; T194-S266 PolarHBondContact OG1-O 3Å; T194-Y267 HydrophobicContact CG2-CD1 3.4Å; T194-Y267 HydrophobicContact CG2-CD2 4.12Å; T194-Y267 HydrophobicContact CG2-CE1 3.64Å; T194-Y267 HydrophobicContact CG2-CE2 4.33Å; T194-Y267 HydrophobicContact CG2-CG 3.64Å |
| 195 | L | 90.1 | Very high | 90.8 | Very high | 76 Ų | 76 | 45.7 Ų | 45.7 | 40% | 0.398 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -88.3 | -24.4 | -175 | -64.8 | 178.6 | 0 | 0 | 0 | 113.8 | P191 S192 L234 L235 | P191-L195 WeakPolarHBondContact O-CG 3.28Å; P191-L195 PolarHBondContact O-N 2.73Å; S192-L195 PolarHBondContact O-N 3.27Å; L195-L234 HydrophobicContact CD1-CB 4.41Å; L195-L234 HydrophobicContact CD1-CD1 4.32Å; L195-L234 HydrophobicContact CD2-CB 3.63Å; L195-L235 HydrophobicContact CD1-CD2 4.44Å; L195-L235 HydrophobicContact CD2-CD2 3.85Å; L195-L235 HydrophobicContact CD2-CG 4.48Å; L195-L235 HydrophobicContact CG-CD2 3.97Å |
| 196 | I | 89.8 | Confident | 91.1 | Very high | 72 Ų | 72 | 46.6 Ų | 46.6 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -71.3 | 158.2 | 175.4 | 63.6 | 171.1 | 0 | 0 | 0 | 111.9 | S192 L193 T198 A202 | S192-I196 WeakPolarHBondContact O-CG2 3.49Å; S192-I196 PolarHBondContact O-N 3.2Å; L193-I196 HydrophobicContact CD1-CD1 4.04Å; L193-I196 WeakPolarHBondContact O-CG1 3.46Å; I196-T198 PolarHBondContact O-N 3.09Å; I196-A202 HydrophobicContact CD1-CB 3.84Å |
| 197 | S | 86.8 | Confident | 91.6 | Very high | 100 Ų | 100 | 47.1 Ų | 47.1 | 70% | 0.699 | 27% | 0.273 | S | S | * | . | trans | -56.5 | 137.7 | 167.9 | 60 | 0 | 0 | 0 | 0 | 110.4 | N199 | S197-N199 PolarHBondContact O-N 3.37Š| ||
| 198 | T | 88.1 | Confident | 92.1 | Very high | 60 Ų | 60 | 47.9 Ų | 47.9 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | trans | -42.1 | 114.2 | 178.3 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | I196 R262 H265 | I196-T198 PolarHBondContact O-N 3.09Å; T198-R262 HydrophobicContact CG2-CB 3.8Å; T198-R262 HydrophobicContact CG2-CG 4.04Å; T198-R262 WeakPolarHBondContact CG2-O 3.45Å; T198-R262 PolarHBondContact OG1-O 3.44Å; T198-H265 HydrophobicContact CG2-CB 4.06Å | ||
| 199 | N | 91 | Very high | 92.4 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -139 | 110.4 | -179.8 | -174.1 | -18.5 | 0 | 0 | 0 | 110.1 | S197 S201 A202 S203 | S197-N199 PolarHBondContact O-N 3.37Å; N199-S201 VanDerWaalsContact C-N 3.27Å; N199-S201 PolarHBondContact O-N 2.99Å; N199-S201 WeakPolarHBondContact OD1-CB 3.49Å; N199-S201 PolarHBondContact OD1-N 2.92Å; N199-A202 HydrophobicContact CB-CB 3.95Å; N199-A202 PolarHBondContact O-N 3.36Å; N199-A202 PolarHBondContact OD1-N 3.43Å; N199-S203 PolarHBondContact O-N 3.48Å | ||
| 200 | C | 94 | Very high | 92.5 | Very high | 62 Ų | 62 | 48.2 Ų | 48.2 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 179 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | S203 E204 T297 | C200-S203 WeakPolarHBondContact O-CB 3.43Å; C200-S203 PolarHBondContact O-N 2.9Å; C200-E204 PolarHBondContact O-N 3.09Å; C200-T297 HydrophobicContact CB-CG2 4.26Å |
| 201 | S | 94.6 | Very high | 92.5 | Very high | 72 Ų | 72 | 52.7 Ų | 52.7 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | -179.5 | -45.1 | 0 | 0 | 0 | 0 | 110.7 | N199 S203 E204 E205 | N199-S201 VanDerWaalsContact C-N 3.27Å; N199-S201 PolarHBondContact O-N 2.99Å; N199-S201 WeakPolarHBondContact OD1-CB 3.49Å; N199-S201 PolarHBondContact OD1-N 2.92Å; S201-S203 VanDerWaalsContact C-N 3.28Å; S201-S203 PolarHBondContact O-N 3.38Å; S201-E204 PolarHBondContact O-N 3.36Å; S201-E205 WeakPolarHBondContact O-CG 3.24Å; S201-E205 PolarHBondContact O-N 2.81Å |
| 202 | A | 94.1 | Very high | 92.4 | Very high | 27 Ų | 27 | 61 Ų | 61 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L193 I196 N199 M206 | L193-A202 HydrophobicContact CD1-CB 3.98Å; I196-A202 HydrophobicContact CD1-CB 3.84Å; N199-A202 HydrophobicContact CB-CB 3.95Å; N199-A202 PolarHBondContact O-N 3.36Å; N199-A202 PolarHBondContact OD1-N 3.43Å; A202-M206 WeakPolarHBondContact O-CB 3.44Å; A202-M206 PolarHBondContact O-N 3.49Å |
| 203 | S | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 174.6 | 176 | 0 | 0 | 0 | 0 | 112.9 | N199 C200 S201 W207 T297 | N199-S203 PolarHBondContact O-N 3.48Å; C200-S203 WeakPolarHBondContact O-CB 3.43Å; C200-S203 PolarHBondContact O-N 2.9Å; S201-S203 VanDerWaalsContact C-N 3.28Å; S201-S203 PolarHBondContact O-N 3.38Å; S203-W207 PolarHBondContact O-N 3.19Å; S203-T297 WeakPolarHBondContact OG-CB 3.34Å; S203-T297 PolarHBondContact OG-OG1 3.35Å |
| 204 | E | 96.1 | Very high | 92.3 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.3 | -39.7 | 174.4 | -66.6 | -63.7 | 162.3 | 0 | 0 | 112 | C200 S201 M206 W207 L208 T297 S298 | C200-E204 PolarHBondContact O-N 3.09Å; S201-E204 PolarHBondContact O-N 3.36Å; E204-M206 VanDerWaalsContact C-N 3.31Å; E204-M206 PolarHBondContact O-N 3.04Å; E204-W207 VanDerWaalsContact O-CB 3.32Å; E204-W207 WeakPolarHBondContact O-CB 3.4Å; E204-W207 PolarHBondContact O-N 3.36Å; E204-W207 VanDerWaalsContact O-N 3.12Å; E204-L208 WeakPolarHBondContact O-CG 3.48Å; E204-L208 PolarHBondContact O-N 2.99Å; E204-T297 HydrophobicContact CG-CG2 4.28Å; E204-T297 WeakPolarHBondContact OE1-CA 3.32Å; E204-T297 WeakPolarHBondContact OE1-CB 3.32Å; E204-T297 WeakPolarHBondContact OE1-CG2 3.39Å; E204-S298 PolarHBondContact OE1-N 3.38Å; E204-S298 PolarHBondContact OE1-OG 3.16Å; E204-S298 VanDerWaalsContact OE2-CB 3.22Å; E204-S298 WeakPolarHBondContact OE2-CB 3.44Å; E204-S298 PolarHBondContact OE2-OG 2.97Å |
| 205 | E | 94.8 | Very high | 92.3 | Very high | 127 Ų | 127 | 63.6 Ų | 63.6 | 59% | 0.593 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 173.4 | -69.8 | -59.3 | 143.5 | 0 | 0 | 111.6 | S201 W207 L208 L209 | S201-E205 WeakPolarHBondContact O-CG 3.24Å; S201-E205 PolarHBondContact O-N 2.81Å; E205-W207 VanDerWaalsContact C-N 3.3Å; E205-W207 PolarHBondContact O-N 3.34Å; E205-L208 PolarHBondContact O-N 3.02Å; E205-L209 PolarHBondContact O-N 3.27Å |
| 206 | M | 94.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 172.6 | -173.1 | 61.8 | 69.7 | 0 | 0 | 111.6 | L189 L190 L193 A202 E204 L209 L210 L299 | L189-M206 HydrophobicContact CB-CE 3.6Å; L189-M206 HydrophobicContact CB-SD 4.3Å; L189-M206 WeakPolarHBondContact O-CE 3.45Å; L190-M206 HydrophobicContact CD2-CE 4.33Å; L190-M206 HydrophobicContact CD2-CG 3.83Å; L190-M206 HydrophobicContact CD2-SD 3.89Å; L193-M206 HydrophobicContact CB-CE 4.49Å; L193-M206 HydrophobicContact CD2-CB 4.2Å; L193-M206 HydrophobicContact CD2-CG 4.17Å; A202-M206 WeakPolarHBondContact O-CB 3.44Å; A202-M206 PolarHBondContact O-N 3.49Å; E204-M206 VanDerWaalsContact C-N 3.31Å; E204-M206 PolarHBondContact O-N 3.04Å; M206-L209 WeakPolarHBondContact O-CB 3.31Å; M206-L209 PolarHBondContact O-N 3.4Å; M206-L209 HydrophobicContact SD-CD2 4.39Å; M206-L210 HydrophobicContact CG-CD1 4.43Å; M206-L210 WeakPolarHBondContact O-CG 3.12Å; M206-L210 PolarHBondContact O-N 3.32Å; M206-L299 HydrophobicContact CB-CD2 4.16Å; M206-L299 HydrophobicContact CG-CD2 3.99Å |
| 207 | W | 96 | Very high | 92.3 | Very high | 39 Ų | 39 | 62.8 Ų | 62.8 | 15% | 0.148 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 174.8 | 171.2 | -117.4 | 0 | 0 | 0 | 112.4 | S203 E204 E205 L209 L210 L211 L299 D302 | S203-W207 PolarHBondContact O-N 3.19Å; E204-W207 VanDerWaalsContact O-CB 3.32Å; E204-W207 WeakPolarHBondContact O-CB 3.4Å; E204-W207 PolarHBondContact O-N 3.36Å; E204-W207 VanDerWaalsContact O-N 3.12Å; E205-W207 VanDerWaalsContact C-N 3.3Å; E205-W207 PolarHBondContact O-N 3.34Å; W207-L209 PolarHBondContact O-N 2.9Å; W207-L210 PolarHBondContact O-N 2.87Å; W207-L211 HydrophobicContact CH2-CD1 4.05Å; W207-L211 HydrophobicContact CZ2-CD1 3.56Å; W207-L211 WeakPolarHBondContact O-CB 3.35Å; W207-L211 PolarHBondContact O-N 3.46Å; W207-L299 HydrophobicContact CB-CB 4.01Å; W207-L299 HydrophobicContact CE3-CD1 4.43Å; W207-D302 HydrophobicContact CE3-CB 4.26Å; W207-D302 HydrophobicContact CH2-CB 3.92Å; W207-D302 HydrophobicContact CZ3-CB 3.53Å; W207-D302 VanDerWaalsContact CZ3-CG 3.48Å |
| 208 | L | 95 | Very high | 92.7 | Very high | 88 Ų | 88 | 58.8 Ų | 58.8 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -32.5 | 178.9 | -67.4 | 177.8 | 0 | 0 | 0 | 112.4 | E204 E205 Y212 | E204-L208 WeakPolarHBondContact O-CG 3.48Å; E204-L208 PolarHBondContact O-N 2.99Å; E205-L208 PolarHBondContact O-N 3.02Å; L208-Y212 WeakPolarHBondContact O-CD2 3.16Å; L208-Y212 VanDerWaalsContact O-CE2 3.28Å; L208-Y212 WeakPolarHBondContact O-CE2 3.47Å |
| 209 | L | 91.7 | Very high | 93 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.5 | -48.5 | 170.5 | 176.3 | 63.4 | 0 | 0 | 0 | 111.8 | L189 E205 M206 W207 L211 Y212 | L189-L209 HydrophobicContact CD1-CD2 3.65Å; E205-L209 PolarHBondContact O-N 3.27Å; M206-L209 WeakPolarHBondContact O-CB 3.31Å; M206-L209 PolarHBondContact O-N 3.4Å; M206-L209 HydrophobicContact SD-CD2 4.39Å; W207-L209 PolarHBondContact O-N 2.9Å; L209-L211 VanDerWaalsContact C-N 3.26Å; L209-L211 PolarHBondContact O-N 3.31Å; L209-Y212 WeakPolarHBondContact O-CD2 3.21Å; L209-Y212 PolarHBondContact O-N 3.5Å |
| 210 | L | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.6 | -23.9 | -176.2 | -66.2 | -173.4 | 0 | 0 | 0 | 113.4 | L190 M206 W207 Y212 F213 R218 L221 Y222 L299 | L190-L210 HydrophobicContact CD2-CD1 4.4Å; M206-L210 HydrophobicContact CG-CD1 4.43Å; M206-L210 WeakPolarHBondContact O-CG 3.12Å; M206-L210 PolarHBondContact O-N 3.32Å; W207-L210 PolarHBondContact O-N 2.87Å; L210-Y212 PolarHBondContact O-N 3.31Å; L210-Y212 VanDerWaalsContact O-N 3.08Å; L210-F213 HydrophobicContact CD2-CD2 4.25Å; L210-F213 HydrophobicContact CD2-CE2 4.46Å; L210-F213 PolarHBondContact O-N 3.13Å; L210-R218 HydrophobicContact CB-CG 4.39Å; L210-R218 VanDerWaalsContact O-CD 3.3Å; L210-R218 WeakPolarHBondContact O-CD 3.48Å; L210-L221 HydrophobicContact CD2-CD1 3.65Å; L210-Y222 HydrophobicContact CD1-CE1 3.75Å; L210-L299 HydrophobicContact CD1-CD1 3.73Å |
| 211 | L | 92.2 | Very high | 93 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.8 | 178.1 | -172.7 | 67 | 0 | 0 | 0 | 113.2 | W207 L209 F213 | W207-L211 HydrophobicContact CH2-CD1 4.05Å; W207-L211 HydrophobicContact CZ2-CD1 3.56Å; W207-L211 WeakPolarHBondContact O-CB 3.35Å; W207-L211 PolarHBondContact O-N 3.46Å; L209-L211 VanDerWaalsContact C-N 3.26Å; L209-L211 PolarHBondContact O-N 3.31Å; L211-F213 PolarHBondContact O-N 2.92Å |
| 212 | Y | 88.7 | Confident | 93 | Very high | 197 Ų | 197 | 51.8 Ų | 51.8 | 77% | 0.773 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.1 | 176.1 | -70.5 | -81.1 | 0 | 0 | 0 | 113.7 | L208 L209 L210 | L208-Y212 WeakPolarHBondContact O-CD2 3.16Å; L208-Y212 VanDerWaalsContact O-CE2 3.28Å; L208-Y212 WeakPolarHBondContact O-CE2 3.47Å; L209-Y212 WeakPolarHBondContact O-CD2 3.21Å; L209-Y212 PolarHBondContact O-N 3.5Å; L210-Y212 PolarHBondContact O-N 3.31Å; L210-Y212 VanDerWaalsContact O-N 3.08Å |
| 213 | F | 89.8 | Confident | 92.9 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -102 | 149.3 | 178.5 | -54.8 | -70.1 | 0 | 0 | 0 | 111.2 | I178 L182 L210 L211 I217 R218 | I178-F213 HydrophobicContact CG2-CE1 4.35Å; L182-F213 HydrophobicContact CD2-CD1 3.92Å; L182-F213 HydrophobicContact CD2-CD2 4.26Å; L182-F213 HydrophobicContact CD2-CE1 3.7Å; L182-F213 HydrophobicContact CD2-CE2 4.06Å; L182-F213 HydrophobicContact CD2-CG 4.2Å; L182-F213 HydrophobicContact CD2-CZ 3.77Å; L182-F213 HydrophobicContact CG-CE1 4.28Å; L182-F213 HydrophobicContact CG-CZ 4.49Å; L210-F213 HydrophobicContact CD2-CD2 4.25Å; L210-F213 HydrophobicContact CD2-CE2 4.46Å; L210-F213 PolarHBondContact O-N 3.13Å; L211-F213 PolarHBondContact O-N 2.92Å; F213-I217 HydrophobicContact CB-CB 4.07Å; F213-I217 HydrophobicContact CB-CG2 3.95Å; F213-I217 HydrophobicContact CD1-CD1 4.49Å; F213-I217 HydrophobicContact CD1-CG2 4.2Å; F213-I217 HydrophobicContact CG-CG2 4.14Å; F213-R218 HydrophobicContact CB-CG 4.14Å; F213-R218 PolarHBondContact O-NH1 3.44Å |
| 214 | S | 90.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 59.1 Ų | 59.1 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | trans | -67 | 159.5 | 173.1 | 77.3 | 0 | 0 | 0 | 0 | 111 | E216 I217 R218 | S214-E216 WeakPolarHBondContact CB-OE2 3.4Å; S214-E216 PolarHBondContact O-N 3.26Å; S214-E216 PolarHBondContact OG-OE2 3.38Å; S214-I217 PolarHBondContact O-N 3.33Å; S214-I217 VanDerWaalsContact O-N 3.13Å; S214-R218 WeakPolarHBondContact O-CG 3.07Å; S214-R218 PolarHBondContact O-N 3.11Å | ||
| 215 | Y | 91.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 11% | 0.106 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -30.8 | -176.6 | 79 | -97 | 0 | 0 | 0 | 112 | I217 R218 H219 C351 | Y215-I217 VanDerWaalsContact C-N 3.33Å; Y215-I217 PolarHBondContact O-N 3.38Å; Y215-R218 PolarHBondContact O-N 3.43Å; Y215-H219 AromaticContact CD2-CE1 3.97Å; Y215-H219 WeakPolarHBondContact O-CB 3.48Å; Y215-H219 PolarHBondContact O-CD2 2.94Å; Y215-H219 PolarHBondContact O-N 3.44Å; Y215-C351 HydrophobicContact CD1-CB 4.4Å; Y215-C351 HydrophobicContact CD2-CB 3.4Å; Y215-C351 HydrophobicContact CE1-CB 4.38Å; Y215-C351 HydrophobicContact CE2-CB 3.38Å; Y215-C351 HydrophobicContact CG-CB 3.96Å |
| 216 | E | 90.1 | Very high | 92 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 34% | 0.341 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 178.5 | -56.8 | 87 | 165.6 | 0 | 0 | 111.2 | S214 T220 K424 | S214-E216 WeakPolarHBondContact CB-OE2 3.4Å; S214-E216 PolarHBondContact O-N 3.26Å; S214-E216 PolarHBondContact OG-OE2 3.38Å; E216-T220 PolarHBondContact O-N 2.95Å; E216-T220 PolarHBondContact O-OG1 3.3Å; E216-K424 IonicContact OE1-NZ 2.79Å; E216-K424 PolarHBondContact OE1-NZ 3.4Å |
| 217 | I | 91.1 | Very high | 91.1 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 30% | 0.297 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.3 | -45.2 | 176 | -62.3 | 174.4 | 0 | 0 | 0 | 110.1 | L182 F213 S214 Y215 H219 T220 L221 | L182-I217 HydrophobicContact CD1-CG2 3.87Å; L182-I217 HydrophobicContact CD2-CG2 3.47Å; L182-I217 VanDerWaalsContact CD2-CG2 3.47Å; L182-I217 HydrophobicContact CG-CG2 4.35Å; F213-I217 HydrophobicContact CB-CB 4.07Å; F213-I217 HydrophobicContact CB-CG2 3.95Å; F213-I217 HydrophobicContact CD1-CD1 4.49Å; F213-I217 HydrophobicContact CD1-CG2 4.2Å; F213-I217 HydrophobicContact CG-CG2 4.14Å; S214-I217 PolarHBondContact O-N 3.33Å; S214-I217 VanDerWaalsContact O-N 3.13Å; Y215-I217 VanDerWaalsContact C-N 3.33Å; Y215-I217 PolarHBondContact O-N 3.38Å; I217-H219 VanDerWaalsContact C-N 3.3Å; I217-H219 PolarHBondContact O-N 3.42Å; I217-T220 WeakPolarHBondContact O-CB 3.45Å; I217-T220 PolarHBondContact O-N 2.87Å; I217-T220 VanDerWaalsContact O-N 3.14Å; I217-L221 PolarHBondContact O-N 3.3Å |
| 218 | R | 94.5 | Very high | 89.9 | Confident | 16 Ų | 16 | 57 Ų | 57 | 6% | 0.06 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 178.2 | -64.3 | -165.3 | -55.7 | -101.8 | 7.9 | 111.9 | L210 F213 S214 Y215 T220 L221 Y222 D302 D348 | L210-R218 HydrophobicContact CB-CG 4.39Å; L210-R218 VanDerWaalsContact O-CD 3.3Å; L210-R218 WeakPolarHBondContact O-CD 3.48Å; F213-R218 HydrophobicContact CB-CG 4.14Å; F213-R218 PolarHBondContact O-NH1 3.44Å; S214-R218 WeakPolarHBondContact O-CG 3.07Å; S214-R218 PolarHBondContact O-N 3.11Å; Y215-R218 PolarHBondContact O-N 3.43Å; R218-T220 VanDerWaalsContact C-N 3.32Å; R218-T220 PolarHBondContact O-N 3.26Å; R218-L221 WeakPolarHBondContact O-CB 3.4Å; R218-L221 PolarHBondContact O-N 2.78Å; R218-L221 VanDerWaalsContact O-N 3.15Å; R218-Y222 HydrophobicContact CB-CE2 3.97Å; R218-Y222 WeakPolarHBondContact O-CD1 3.34Å; R218-Y222 VanDerWaalsContact O-CD2 3.31Å; R218-Y222 WeakPolarHBondContact O-CD2 3.36Å; R218-Y222 PolarHBondContact O-N 3.33Å; R218-D302 WeakPolarHBondContact CD-OD2 3.43Å; R218-D302 IonicContact CZ-OD1 3.84Å; R218-D302 IonicContact CZ-OD2 2.95Å; R218-D302 IonicContact NE-OD1 3.39Å; R218-D302 PolarHBondContact NE-OD1 3.16Å; R218-D302 IonicContact NE-OD2 2.81Å; R218-D302 PolarHBondContact NE-OD2 2.84Å; R218-D302 IonicContact NH2-OD1 3.67Å; R218-D302 PolarHBondContact NH2-OD1 3.01Å; R218-D302 IonicContact NH2-OD2 2.83Å; R218-D348 IonicContact NH2-OD2 3.15Å |
| 219 | H | 94.2 | Very high | 88.8 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -35 | 178.5 | -74.4 | -159.6 | 0 | 0 | 0 | 112.3 | Y215 I217 Y222 N223 Y306 | Y215-H219 AromaticContact CD2-CE1 3.97Å; Y215-H219 WeakPolarHBondContact O-CB 3.48Å; Y215-H219 PolarHBondContact O-CD2 2.94Å; Y215-H219 PolarHBondContact O-N 3.44Å; I217-H219 VanDerWaalsContact C-N 3.3Å; I217-H219 PolarHBondContact O-N 3.42Å; H219-Y222 AromaticContact CD2-CD2 3.96Å; H219-Y222 PolarHBondContact O-N 2.95Å; H219-N223 PolarHBondContact O-N 3.35Å; H219-Y306 HydrophobicContact CB-CD2 3.69Å; H219-Y306 HydrophobicContact CB-CE2 4.31Å; H219-Y306 AromaticContact CG-CD2 3.7Å; H219-Y306 AromaticContact ND1-CD2 3.91Å; H219-Y306 WeakPolarHBondContact O-CE2 3.5Å |
| 220 | T | 91.7 | Very high | 88.1 | Confident | 86 Ų | 86 | 54 Ų | 54 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 171.7 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | E216 I217 R218 Y222 N223 E224 | E216-T220 PolarHBondContact O-N 2.95Å; E216-T220 PolarHBondContact O-OG1 3.3Å; I217-T220 WeakPolarHBondContact O-CB 3.45Å; I217-T220 PolarHBondContact O-N 2.87Å; I217-T220 VanDerWaalsContact O-N 3.14Å; R218-T220 VanDerWaalsContact C-N 3.32Å; R218-T220 PolarHBondContact O-N 3.26Å; T220-Y222 VanDerWaalsContact C-N 3.31Å; T220-Y222 PolarHBondContact O-N 2.99Å; T220-N223 WeakPolarHBondContact O-CB 3.4Å; T220-N223 PolarHBondContact O-N 3.18Å; T220-E224 PolarHBondContact O-N 3.09Å; T220-E224 VanDerWaalsContact O-N 3.11Å |
| 221 | L | 93.1 | Very high | 87.2 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 175 | -63.8 | 174.2 | 0 | 0 | 0 | 112.3 | L182 C185 C186 L190 L210 I217 R218 E224 W225 | L182-L221 HydrophobicContact CB-CD2 4.43Å; L182-L221 HydrophobicContact CD2-CD1 3.93Å; L182-L221 HydrophobicContact CD2-CD2 4.22Å; L182-L221 HydrophobicContact CD2-CG 4.37Å; C185-L221 HydrophobicContact CB-CD1 4.38Å; C185-L221 HydrophobicContact CB-CD2 4.41Å; C186-L221 HydrophobicContact CB-CD2 4.06Å; L190-L221 HydrophobicContact CD1-CB 4.11Å; L210-L221 HydrophobicContact CD2-CD1 3.65Å; I217-L221 PolarHBondContact O-N 3.3Å; R218-L221 WeakPolarHBondContact O-CB 3.4Å; R218-L221 PolarHBondContact O-N 2.78Å; R218-L221 VanDerWaalsContact O-N 3.15Å; L221-E224 PolarHBondContact O-N 2.8Å; L221-W225 VanDerWaalsContact O-CB 3.3Å; L221-W225 WeakPolarHBondContact O-CB 3.31Å; L221-W225 PolarHBondContact O-N 2.97Å |
| 222 | Y | 95.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 177.8 | -57.3 | -27.6 | 0 | 0 | 0 | 112.8 | L210 R218 H219 T220 W225 A226 L299 D302 V303 Y306 | L210-Y222 HydrophobicContact CD1-CE1 3.75Å; R218-Y222 HydrophobicContact CB-CE2 3.97Å; R218-Y222 WeakPolarHBondContact O-CD1 3.34Å; R218-Y222 VanDerWaalsContact O-CD2 3.31Å; R218-Y222 WeakPolarHBondContact O-CD2 3.36Å; R218-Y222 PolarHBondContact O-N 3.33Å; H219-Y222 AromaticContact CD2-CD2 3.96Å; H219-Y222 PolarHBondContact O-N 2.95Å; T220-Y222 VanDerWaalsContact C-N 3.31Å; T220-Y222 PolarHBondContact O-N 2.99Å; Y222-W225 HydrophobicContact CD1-CE3 4.26Å; Y222-W225 PolarHBondContact O-N 3.37Å; Y222-A226 PolarHBondContact O-N 3.01Å; Y222-L299 HydrophobicContact CE1-CD1 4.06Å; Y222-D302 WeakPolarHBondContact CE2-OD2 3.43Å; Y222-D302 VanDerWaalsContact CZ-OD2 3.29Å; Y222-D302 PolarHBondContact OH-OD2 2.72Å; Y222-V303 HydrophobicContact CD1-CG2 3.85Å; Y222-V303 HydrophobicContact CD2-CG2 4.04Å; Y222-V303 HydrophobicContact CE1-CG2 3.65Å; Y222-V303 HydrophobicContact CE2-CG2 3.86Å; Y222-V303 HydrophobicContact CG-CG2 4.04Å; Y222-Y306 HydrophobicContact CD2-CD1 4.28Å; Y222-Y306 AromaticContact CD2-CG 3.93Å; Y222-Y306 HydrophobicContact CD2-CG 3.93Å; Y222-Y306 HydrophobicContact CG-CD1 4.43Å; Y222-Y306 HydrophobicContact CG-CG 4.44Å |
| 223 | N | 91.6 | Very high | 86.6 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 172.9 | -178.1 | 67.8 | 0 | 0 | 0 | 111.4 | H219 T220 W225 A226 Y306 | H219-N223 PolarHBondContact O-N 3.35Å; T220-N223 WeakPolarHBondContact O-CB 3.4Å; T220-N223 PolarHBondContact O-N 3.18Å; N223-W225 VanDerWaalsContact C-N 3.32Å; N223-W225 PolarHBondContact O-N 3.06Å; N223-A226 WeakPolarHBondContact O-CB 3.37Å; N223-A226 PolarHBondContact O-N 2.8Å; N223-Y306 WeakPolarHBondContact CA-OH 3.47Å; N223-Y306 HydrophobicContact CB-CE2 4.3Å; N223-Y306 WeakPolarHBondContact CB-OH 3.36Å; N223-Y306 PolarHBondContact OD1-OH 3.45Å |
| 224 | E | 89.2 | Confident | 86.4 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67 | -32.4 | 175.5 | -62.7 | -54.5 | 134.4 | 0 | 0 | 112.4 | C186 T220 L221 N227 | C186-E224 WeakPolarHBondContact SG-CB 3.18Å; T220-E224 PolarHBondContact O-N 3.09Å; T220-E224 VanDerWaalsContact O-N 3.11Å; L221-E224 PolarHBondContact O-N 2.8Å; E224-N227 VanDerWaalsContact O-CB 3.23Å; E224-N227 WeakPolarHBondContact O-CB 3.49Å; E224-N227 PolarHBondContact O-N 3.29Å |
| 225 | W | 91.6 | Very high | 86.2 | Confident | 9 Ų | 9 | 56 Ų | 56 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.9 | -31.1 | 176 | -174 | 23 | 0 | 0 | 0 | 112.9 | L190 L193 T194 L221 Y222 N223 N227 P268 V269 L299 V303 | L190-W225 HydrophobicContact CB-CB 4.45Å; L190-W225 HydrophobicContact CB-CD2 3.89Å; L190-W225 HydrophobicContact CB-CE3 4.42Å; L190-W225 HydrophobicContact CB-CG 3.89Å; L190-W225 HydrophobicContact CD1-CB 4.21Å; L190-W225 HydrophobicContact CD1-CD2 4.36Å; L190-W225 HydrophobicContact CD1-CE3 4.29Å; L190-W225 HydrophobicContact CD1-CG 4.36Å; L190-W225 HydrophobicContact CD2-CD2 4.17Å; L190-W225 HydrophobicContact CD2-CE3 3.86Å; L190-W225 HydrophobicContact CD2-CH2 4.14Å; L190-W225 HydrophobicContact CD2-CZ2 4.46Å; L190-W225 HydrophobicContact CD2-CZ3 3.85Å; L190-W225 HydrophobicContact CG-CD2 4.37Å; L190-W225 HydrophobicContact CG-CE3 4.42Å; L190-W225 PolarHBondContact O-NE1 2.89Å; L193-W225 HydrophobicContact CB-CZ2 4.48Å; L193-W225 HydrophobicContact CD2-CH2 3.87Å; L193-W225 HydrophobicContact CD2-CZ2 4.23Å; T194-W225 PolarHBondContact OG1-NE1 3.35Å; L221-W225 VanDerWaalsContact O-CB 3.3Å; L221-W225 WeakPolarHBondContact O-CB 3.31Å; L221-W225 PolarHBondContact O-N 2.97Å; Y222-W225 HydrophobicContact CD1-CE3 4.26Å; Y222-W225 PolarHBondContact O-N 3.37Å; N223-W225 VanDerWaalsContact C-N 3.32Å; N223-W225 PolarHBondContact O-N 3.06Å; W225-N227 PolarHBondContact O-N 2.7Å; W225-P268 HydrophobicContact CH2-CG 3.48Å; W225-P268 VanDerWaalsContact CH2-CG 3.48Å; W225-P268 HydrophobicContact CZ2-CG 4.45Å; W225-P268 HydrophobicContact CZ3-CG 3.6Å; W225-V269 HydrophobicContact CD2-CG2 3.91Å; W225-V269 HydrophobicContact CE3-CG2 3.37Å; W225-V269 HydrophobicContact CG-CG2 4.42Å; W225-V269 HydrophobicContact CZ3-CG2 3.91Å; W225-L299 HydrophobicContact CH2-CD2 4.27Å; W225-L299 HydrophobicContact CZ3-CD2 4.32Å; W225-V303 HydrophobicContact CZ3-CG2 4.45Å |
| 226 | A | 87.1 | Confident | 86 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.2 | -28.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y222 N223 P228 R239 V269 | Y222-A226 PolarHBondContact O-N 3.01Å; N223-A226 WeakPolarHBondContact O-CB 3.37Å; N223-A226 PolarHBondContact O-N 2.8Å; A226-P228 WeakPolarHBondContact O-CD 3.39Å; A226-R239 PolarHBondContact O-NH1 2.9Å; A226-V269 HydrophobicContact CB-CG1 3.58Å |
| 227 | N | 76 | Confident | 85.9 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | trans | -4.9 | 83 | -170.3 | -169.3 | -2.8 | 0 | 0 | 0 | 114.2 | E224 W225 G229 S230 | E224-N227 VanDerWaalsContact O-CB 3.23Å; E224-N227 WeakPolarHBondContact O-CB 3.49Å; E224-N227 PolarHBondContact O-N 3.29Å; W225-N227 PolarHBondContact O-N 2.7Å; N227-G229 PolarHBondContact O-N 2.9Å; N227-G229 PolarHBondContact OD1-N 3.46Å; N227-G229 VanDerWaalsContact OD1-N 3.16Å; N227-S230 WeakPolarHBondContact O-CB 3.47Å; N227-S230 PolarHBondContact O-N 3.05Å; N227-S230 PolarHBondContact OD1-N 3.36Å; N227-S230 VanDerWaalsContact OD1-N 3.12Å | ||
| 228 | P | 69.7 | Low | 85.6 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 71% | 0.708 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.8 | 178.9 | 25.4 | -32.9 | 0 | 0 | 0 | 112.7 | A226 | A226-P228 WeakPolarHBondContact O-CD 3.39Š|
| 229 | G | 72.9 | Confident | 85.2 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 10.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N227 T231 | N227-G229 PolarHBondContact O-N 2.9Å; N227-G229 PolarHBondContact OD1-N 3.46Å; N227-G229 VanDerWaalsContact OD1-N 3.16Å; G229-T231 PolarHBondContact O-N 3.19Å |
| 230 | S | 75.5 | Confident | 84.8 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | trans | -58.6 | 126 | -178.8 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | N227 N232 | N227-S230 WeakPolarHBondContact O-CB 3.47Å; N227-S230 PolarHBondContact O-N 3.05Å; N227-S230 PolarHBondContact OD1-N 3.36Å; N227-S230 VanDerWaalsContact OD1-N 3.12Å; S230-N232 PolarHBondContact O-N 3.38Å; S230-N232 WeakPolarHBondContact OG-CB 3.34Å; S230-N232 PolarHBondContact OG-N 2.89Å | ||
| 231 | T | 75.6 | Confident | 84.5 | Confident | 142 Ų | 142 | 65.8 Ų | 65.8 | 87% | 0.871 | 37% | 0.369 | S | S | * | . | trans | -82.4 | -1.8 | 174.2 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | G229 P233 | G229-T231 PolarHBondContact O-N 3.19Å; T231-P233 WeakPolarHBondContact O-CD 3.39Å | ||
| 232 | N | 82.3 | Confident | 84.1 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 37% | 0.367 | S | S | . | . | trans | -71.5 | 115.4 | -179.9 | -174.9 | -36 | 0 | 0 | 0 | 110.2 | S230 L234 L235 L236 | S230-N232 PolarHBondContact O-N 3.38Å; S230-N232 WeakPolarHBondContact OG-CB 3.34Å; S230-N232 PolarHBondContact OG-N 2.89Å; N232-L234 VanDerWaalsContact C-N 3.28Å; N232-L234 PolarHBondContact O-N 3.15Å; N232-L234 WeakPolarHBondContact OD1-CB 3.27Å; N232-L234 PolarHBondContact OD1-N 3.44Å; N232-L235 HydrophobicContact CB-CB 4.22Å; N232-L235 HydrophobicContact CB-CD1 3.97Å; N232-L235 HydrophobicContact CB-CG 4.13Å; N232-L235 PolarHBondContact O-N 3.36Å; N232-L235 PolarHBondContact OD1-N 3.4Å; N232-L236 PolarHBondContact O-N 3.05Å; N232-L236 VanDerWaalsContact O-N 3.11Å | ||
| 233 | P | 85.5 | Confident | 83.5 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63 | -33 | -174.7 | 24.9 | -33.9 | 0 | 0 | 0 | 113 | T231 L236 E237 | T231-P233 WeakPolarHBondContact O-CD 3.39Å; P233-L236 PolarHBondContact O-N 2.79Å; P233-E237 WeakPolarHBondContact O-CB 3.28Å; P233-E237 PolarHBondContact O-N 3.07Å |
| 234 | L | 86.5 | Confident | 82.9 | Confident | 96 Ų | 96 | 70 Ų | 70 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | -179.7 | -61.1 | 175.6 | 0 | 0 | 0 | 111.6 | L195 N232 L236 E237 K238 | L195-L234 HydrophobicContact CD1-CB 4.41Å; L195-L234 HydrophobicContact CD1-CD1 4.32Å; L195-L234 HydrophobicContact CD2-CB 3.63Å; N232-L234 VanDerWaalsContact C-N 3.28Å; N232-L234 PolarHBondContact O-N 3.15Å; N232-L234 WeakPolarHBondContact OD1-CB 3.27Å; N232-L234 PolarHBondContact OD1-N 3.44Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L234-E237 PolarHBondContact O-N 3.45Å; L234-K238 WeakPolarHBondContact O-CB 3.34Å; L234-K238 PolarHBondContact O-N 2.78Å |
| 235 | L | 86.2 | Confident | 82.5 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.6 | -36 | 176.1 | -67 | 178.2 | 0 | 0 | 0 | 111.3 | P191 T194 L195 N232 K238 R239 | P191-L235 HydrophobicContact CB-CD1 4.38Å; T194-L235 HydrophobicContact CG2-CD2 3.78Å; L195-L235 HydrophobicContact CD1-CD2 4.44Å; L195-L235 HydrophobicContact CD2-CD2 3.85Å; L195-L235 HydrophobicContact CD2-CG 4.48Å; L195-L235 HydrophobicContact CG-CD2 3.97Å; N232-L235 HydrophobicContact CB-CB 4.22Å; N232-L235 HydrophobicContact CB-CD1 3.97Å; N232-L235 HydrophobicContact CB-CG 4.13Å; N232-L235 PolarHBondContact O-N 3.36Å; N232-L235 PolarHBondContact OD1-N 3.4Å; L235-K238 PolarHBondContact O-N 3.08Å; L235-R239 WeakPolarHBondContact O-CB 3.42Å; L235-R239 PolarHBondContact O-N 2.9Å |
| 236 | L | 86.2 | Confident | 81.9 | Confident | 96 Ų | 96 | 69.4 Ų | 69.4 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 175.5 | -174.5 | 65.7 | 0 | 0 | 0 | 111.8 | N232 P233 L234 R239 N240 | N232-L236 PolarHBondContact O-N 3.05Å; N232-L236 VanDerWaalsContact O-N 3.11Å; P233-L236 PolarHBondContact O-N 2.79Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L236-R239 WeakPolarHBondContact O-CB 2.95Å; L236-R239 PolarHBondContact O-N 2.91Å; L236-N240 PolarHBondContact O-N 3.45Å; L236-N240 PolarHBondContact O-ND2 3.46Å |
| 237 | E | 87.1 | Confident | 81.4 | Confident | 136 Ų | 136 | 77.8 Ų | 77.8 | 64% | 0.636 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.7 | -48.5 | 174.4 | -174.7 | 179 | -177.5 | 0 | 0 | 111 | P233 L234 R239 N240 E241 | P233-E237 WeakPolarHBondContact O-CB 3.28Å; P233-E237 PolarHBondContact O-N 3.07Å; L234-E237 PolarHBondContact O-N 3.45Å; E237-R239 VanDerWaalsContact C-N 3.31Å; E237-R239 PolarHBondContact O-N 3.3Å; E237-N240 PolarHBondContact O-N 2.95Å; E237-E241 PolarHBondContact O-N 2.92Å |
| 238 | K | 85.8 | Confident | 81.5 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 16% | 0.161 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 178.5 | -166.9 | 65.4 | 178.9 | 171.9 | 0 | 112.5 | T194 L234 L235 E241 V242 Y267 | T194-K238 HydrophobicContact CG2-CB 4.33Å; T194-K238 HydrophobicContact CG2-CG 3.85Å; L234-K238 WeakPolarHBondContact O-CB 3.34Å; L234-K238 PolarHBondContact O-N 2.78Å; L235-K238 PolarHBondContact O-N 3.08Å; K238-E241 WeakPolarHBondContact CD-OE2 3.44Å; K238-E241 IonicContact NZ-OE1 3.97Å; K238-E241 IonicContact NZ-OE2 3.39Å; K238-E241 PolarHBondContact NZ-OE2 3.09Å; K238-E241 WeakPolarHBondContact O-CB 3.42Å; K238-E241 PolarHBondContact O-N 2.94Å; K238-V242 WeakPolarHBondContact O-CG2 3.29Å; K238-V242 PolarHBondContact O-N 3.42Å; K238-Y267 HydrophobicContact CG-CD1 4.47Å |
| 239 | R | 86.9 | Confident | 81.8 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 22% | 0.219 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.4 | -168.7 | -179.9 | -170.9 | 112.8 | 1.4 | 111.6 | A226 L235 L236 E237 V242 L243 Y267 V270 | A226-R239 PolarHBondContact O-NH1 2.9Å; L235-R239 WeakPolarHBondContact O-CB 3.42Å; L235-R239 PolarHBondContact O-N 2.9Å; L236-R239 WeakPolarHBondContact O-CB 2.95Å; L236-R239 PolarHBondContact O-N 2.91Å; E237-R239 VanDerWaalsContact C-N 3.31Å; E237-R239 PolarHBondContact O-N 3.3Å; R239-V242 PolarHBondContact O-N 3.39Å; R239-L243 HydrophobicContact CG-CD1 4.34Å; R239-L243 WeakPolarHBondContact O-CG 3.12Å; R239-L243 PolarHBondContact O-N 3.13Å; R239-Y267 HydrophobicContact CB-CE1 4.28Å; R239-V270 HydrophobicContact CG-CG1 4.21Å |
| 240 | N | 85.7 | Confident | 81.7 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 177.1 | -71.7 | -29.2 | 0 | 0 | 0 | 112.4 | L236 E237 N244 | L236-N240 PolarHBondContact O-N 3.45Å; L236-N240 PolarHBondContact O-ND2 3.46Å; E237-N240 PolarHBondContact O-N 2.95Å; N240-N244 PolarHBondContact O-N 3.21Å; N240-N244 PolarHBondContact O-ND2 3.25Å |
| 241 | E | 84.5 | Confident | 81.6 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 172.9 | -169.3 | -160 | 155 | 0 | 0 | 111.1 | E237 K238 N244 Q245 | E237-E241 PolarHBondContact O-N 2.92Å; K238-E241 WeakPolarHBondContact CD-OE2 3.44Å; K238-E241 IonicContact NZ-OE1 3.97Å; K238-E241 IonicContact NZ-OE2 3.39Å; K238-E241 PolarHBondContact NZ-OE2 3.09Å; K238-E241 WeakPolarHBondContact O-CB 3.42Å; K238-E241 PolarHBondContact O-N 2.94Å; E241-N244 PolarHBondContact O-N 3.18Å; E241-Q245 PolarHBondContact O-N 3.38Å; E241-Q245 PolarHBondContact OE1-NE2 3.23Å |
| 242 | V | 85.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 179.4 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | K238 R239 N244 Q245 T246 L263 Y267 V270 V271 L274 | K238-V242 WeakPolarHBondContact O-CG2 3.29Å; K238-V242 PolarHBondContact O-N 3.42Å; R239-V242 PolarHBondContact O-N 3.39Å; V242-N244 PolarHBondContact O-N 3.1Å; V242-N244 VanDerWaalsContact O-N 3.15Å; V242-Q245 PolarHBondContact O-N 2.94Å; V242-T246 HydrophobicContact CG1-CG2 3.74Å; V242-T246 WeakPolarHBondContact O-CG2 3.31Å; V242-T246 PolarHBondContact O-N 3.19Å; V242-T246 PolarHBondContact O-OG1 3.07Å; V242-L263 HydrophobicContact CG2-CD2 4.31Å; V242-Y267 HydrophobicContact CG2-CD1 4.44Å; V242-V270 HydrophobicContact CG1-CG1 4.41Å; V242-V271 HydrophobicContact CG1-CB 4.48Å; V242-V271 HydrophobicContact CG1-CG2 3.42Å; V242-V271 VanDerWaalsContact CG1-CG2 3.42Å; V242-V271 HydrophobicContact CG2-CG2 4.43Å; V242-L274 HydrophobicContact CG1-CD1 4.41Å |
| 243 | L | 83 | Confident | 81.5 | Confident | 64 Ų | 64 | 75.7 Ų | 75.7 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -53.8 | -36.5 | -179 | -80.3 | 164.3 | 0 | 0 | 0 | 113 | R239 T246 L274 | R239-L243 HydrophobicContact CG-CD1 4.34Å; R239-L243 WeakPolarHBondContact O-CG 3.12Å; R239-L243 PolarHBondContact O-N 3.13Å; L243-T246 PolarHBondContact O-OG1 3.45Å; L243-L274 HydrophobicContact CD2-CD1 3.46Å; L243-L274 VanDerWaalsContact CD2-CD1 3.46Å; L243-L274 HydrophobicContact CD2-CD2 3.56Å; L243-L274 HydrophobicContact CD2-CG 4.15Å; L243-L274 HydrophobicContact CG-CD1 4.11Å |
| 244 | N | 79 | Confident | 81 | Confident | 117 Ų | 117 | 78.5 Ų | 78.5 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -74.7 | -29.5 | 178.7 | -72.1 | -35.1 | 0 | 0 | 0 | 112.9 | N240 E241 V242 | N240-N244 PolarHBondContact O-N 3.21Å; N240-N244 PolarHBondContact O-ND2 3.25Å; E241-N244 PolarHBondContact O-N 3.18Å; V242-N244 PolarHBondContact O-N 3.1Å; V242-N244 VanDerWaalsContact O-N 3.15Å |
| 245 | Q | 79.3 | Confident | 80.7 | Confident | 85 Ų | 85 | 81.7 Ų | 81.7 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -92.3 | -15 | -176.1 | -63.4 | -177 | 18.1 | 0 | 0 | 113.9 | E241 V242 L263 | E241-Q245 PolarHBondContact O-N 3.38Å; E241-Q245 PolarHBondContact OE1-NE2 3.23Å; V242-Q245 PolarHBondContact O-N 2.94Å; Q245-L263 HydrophobicContact CB-CD1 3.76Å |
| 246 | T | 79 | Confident | 80.4 | Confident | 7 Ų | 7 | 82.1 Ų | 82.1 | 4% | 0.043 | 39% | 0.392 | C | S | . | . | trans | -91.5 | 9.4 | -177 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | V242 L243 L248 L263 V271 Q278 | V242-T246 HydrophobicContact CG1-CG2 3.74Å; V242-T246 WeakPolarHBondContact O-CG2 3.31Å; V242-T246 PolarHBondContact O-N 3.19Å; V242-T246 PolarHBondContact O-OG1 3.07Å; L243-T246 PolarHBondContact O-OG1 3.45Å; T246-L248 PolarHBondContact O-N 3.09Å; T246-L263 HydrophobicContact CG2-CD1 3.93Å; T246-V271 HydrophobicContact CG2-CB 4.49Å; T246-V271 HydrophobicContact CG2-CG1 3.93Å; T246-V271 HydrophobicContact CG2-CG2 4.33Å; T246-Q278 PolarHBondContact O-NE2 2.91Å | ||
| 247 | R | 77.2 | Confident | 80.3 | Confident | 193 Ų | 193 | 77.7 Ų | 77.7 | 73% | 0.728 | 37% | 0.369 | S | S | * | . | trans | -70.2 | 116.2 | 174.6 | -67.6 | -176.2 | 179.1 | -170.4 | 0.2 | 110.1 | ||||
| 248 | L | 78.4 | Confident | 80.4 | Confident | 23 Ų | 23 | 79.3 Ų | 79.3 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | trans | -108.4 | 139.4 | -177.2 | -66.4 | 178.2 | 0 | 0 | 0 | 111.3 | T246 V253 V275 V289 | T246-L248 PolarHBondContact O-N 3.09Å; L248-V253 HydrophobicContact CB-CG2 3.75Å; L248-V253 HydrophobicContact CD1-CG2 4.38Å; L248-V253 HydrophobicContact CD2-CG2 3.95Å; L248-V253 HydrophobicContact CG-CG2 4.24Å; L248-V275 HydrophobicContact CD1-CB 4.38Å; L248-V275 HydrophobicContact CD1-CG1 3.88Å; L248-V275 HydrophobicContact CD1-CG2 3.68Å; L248-V289 HydrophobicContact CD1-CG2 4.01Å | ||
| 249 | S | 75.7 | Confident | 80.4 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | trans | -131 | 157.8 | 166.5 | 83.9 | 0 | 0 | 0 | 0 | 110 | E251 T252 V253 | S249-E251 PolarHBondContact O-N 3.38Å; S249-T252 PolarHBondContact N-OG1 2.59Å; S249-T252 PolarHBondContact O-N 3.21Å; S249-T252 PolarHBondContact O-OG1 3.42Å; S249-T252 WeakPolarHBondContact OG-CG2 3.28Å; S249-T252 PolarHBondContact OG-N 3.35Å; S249-T252 PolarHBondContact OG-OG1 3.23Å; S249-V253 WeakPolarHBondContact O-CG2 3.38Å; S249-V253 PolarHBondContact O-N 2.91Å | ||
| 250 | K | 71.6 | Confident | 80.4 | Confident | 135 Ų | 135 | 79 Ų | 79 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -35.1 | -179.1 | -173.6 | -179.8 | 178.8 | -177.9 | 0 | 113 | L285 | K250-L285 HydrophobicContact CB-CD2 4.42Š|
| 251 | E | 72.4 | Confident | 80.6 | Confident | 168 Ų | 168 | 75.2 Ų | 75.2 | 79% | 0.785 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -37.9 | 180 | -63.3 | 177.9 | 176.3 | 0 | 0 | 112.4 | S249 | S249-E251 PolarHBondContact O-N 3.38Š|
| 252 | T | 76.8 | Confident | 80.9 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 29% | 0.288 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -26.6 | -173.7 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | S249 K254 Q255 S256 | S249-T252 PolarHBondContact N-OG1 2.59Å; S249-T252 PolarHBondContact O-N 3.21Å; S249-T252 PolarHBondContact O-OG1 3.42Å; S249-T252 WeakPolarHBondContact OG-CG2 3.28Å; S249-T252 PolarHBondContact OG-N 3.35Å; S249-T252 PolarHBondContact OG-OG1 3.23Å; T252-K254 VanDerWaalsContact C-N 3.26Å; T252-K254 PolarHBondContact O-N 3.49Å; T252-K254 VanDerWaalsContact O-N 3.08Å; T252-Q255 WeakPolarHBondContact O-CA 3.37Å; T252-Q255 PolarHBondContact O-N 2.9Å; T252-S256 WeakPolarHBondContact O-CB 3.43Å; T252-S256 PolarHBondContact O-N 2.87Å; T252-S256 PolarHBondContact O-OG 3.49Å |
| 253 | V | 78.4 | Confident | 81.2 | Confident | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -52.7 | -40.4 | -172 | 170.5 | 0 | 0 | 0 | 0 | 113 | L248 S249 A257 L285 P288 V289 | L248-V253 HydrophobicContact CB-CG2 3.75Å; L248-V253 HydrophobicContact CD1-CG2 4.38Å; L248-V253 HydrophobicContact CD2-CG2 3.95Å; L248-V253 HydrophobicContact CG-CG2 4.24Å; S249-V253 WeakPolarHBondContact O-CG2 3.38Å; S249-V253 PolarHBondContact O-N 2.91Å; V253-A257 PolarHBondContact O-N 3.08Å; V253-L285 HydrophobicContact CG2-CD2 4.37Å; V253-P288 HydrophobicContact CB-CB 4.03Å; V253-P288 VanDerWaalsContact CG1-C 3.48Å; V253-P288 HydrophobicContact CG1-CB 3.68Å; V253-P288 VanDerWaalsContact CG1-O 3.27Å; V253-P288 WeakPolarHBondContact CG1-O 3.09Å; V253-V289 HydrophobicContact CG1-CG2 4.25Å |
| 254 | K | 76.6 | Confident | 81.7 | Confident | 155 Ų | 155 | 76.7 Ų | 76.7 | 67% | 0.674 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.6 | -38.1 | 178.7 | -71.3 | -173.7 | 178.9 | -179.9 | 0 | 112.8 | T252 | T252-K254 VanDerWaalsContact C-N 3.26Å; T252-K254 PolarHBondContact O-N 3.49Å; T252-K254 VanDerWaalsContact O-N 3.08Å |
| 255 | Q | 78.4 | Confident | 82.4 | Confident | 163 Ų | 163 | 72.2 Ų | 72.2 | 76% | 0.762 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -72.9 | -39.1 | 178.3 | -61.7 | 179.3 | -2.5 | 0 | 0 | 110.6 | T252 A257 | T252-Q255 WeakPolarHBondContact O-CA 3.37Å; T252-Q255 PolarHBondContact O-N 2.9Å; Q255-A257 VanDerWaalsContact C-N 3.32Å; Q255-A257 PolarHBondContact O-N 3.35Å |
| 256 | S | 80.4 | Confident | 83 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -80.1 | -6.9 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 114 | T252 R258 I259 F260 | T252-S256 WeakPolarHBondContact O-CB 3.43Å; T252-S256 PolarHBondContact O-N 2.87Å; T252-S256 PolarHBondContact O-OG 3.49Å; S256-R258 VanDerWaalsContact C-N 3.28Å; S256-R258 PolarHBondContact O-N 3.4Å; S256-R258 VanDerWaalsContact O-N 3.17Å; S256-I259 WeakPolarHBondContact O-CA 3.33Å; S256-I259 WeakPolarHBondContact O-CB 3.49Å; S256-I259 PolarHBondContact O-N 3.01Å; S256-F260 WeakPolarHBondContact O-CB 3.24Å; S256-F260 PolarHBondContact O-N 3.45Å |
| 257 | A | 85.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.5 | -39.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | V253 Q255 G261 S292 Y295 | V253-A257 PolarHBondContact O-N 3.08Å; Q255-A257 VanDerWaalsContact C-N 3.32Å; Q255-A257 PolarHBondContact O-N 3.35Å; A257-G261 PolarHBondContact O-N 2.88Å; A257-S292 VanDerWaalsContact CB-CB 3.49Å; A257-Y295 HydrophobicContact CB-CD2 4.12Å; A257-Y295 HydrophobicContact CB-CE2 3.83Å; A257-Y295 WeakPolarHBondContact O-CD2 3.29Å |
| 258 | R | 87.7 | Confident | 84.4 | Confident | 169 Ų | 169 | 59.1 Ų | 59.1 | 64% | 0.638 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.5 | -37 | 177.3 | -72.2 | -178.4 | 177.5 | 175.9 | 0 | 112.5 | S256 R262 Y295 | S256-R258 VanDerWaalsContact C-N 3.28Å; S256-R258 PolarHBondContact O-N 3.4Å; S256-R258 VanDerWaalsContact O-N 3.17Å; R258-R262 WeakPolarHBondContact O-CB 3.22Å; R258-R262 WeakPolarHBondContact O-CG 3.27Å; R258-R262 PolarHBondContact O-N 3Å; R258-Y295 HydrophobicContact CG-CD2 4.34Å; R258-Y295 HydrophobicContact CG-CE1 4.1Å; R258-Y295 HydrophobicContact CG-CE2 3.67Å; R258-Y295 PolarHBondContact NE-OH 3.08Å |
| 259 | I | 86.6 | Confident | 85.2 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 177.4 | -59.4 | 173.6 | 0 | 0 | 0 | 108.8 | S256 G261 R262 L263 | S256-I259 WeakPolarHBondContact O-CA 3.33Å; S256-I259 WeakPolarHBondContact O-CB 3.49Å; S256-I259 PolarHBondContact O-N 3.01Å; I259-G261 PolarHBondContact O-N 3.17Å; I259-R262 WeakPolarHBondContact O-CB 3.42Å; I259-R262 PolarHBondContact O-N 3.03Å; I259-R262 VanDerWaalsContact O-N 3.14Å; I259-L263 HydrophobicContact CG2-CD1 4.36Å; I259-L263 WeakPolarHBondContact O-CG 3.36Å; I259-L263 PolarHBondContact O-N 3.05Å |
| 260 | F | 86.6 | Confident | 86 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.2 | -48.6 | 174.6 | 169.8 | -102.4 | 0 | 0 | 0 | 112.4 | S256 R262 L263 C264 V271 L272 V275 M293 L296 | S256-F260 WeakPolarHBondContact O-CB 3.24Å; S256-F260 PolarHBondContact O-N 3.45Å; F260-R262 VanDerWaalsContact C-N 3.34Å; F260-R262 PolarHBondContact O-N 3.43Å; F260-L263 PolarHBondContact O-N 2.9Å; F260-C264 PolarHBondContact O-N 2.86Å; F260-C264 PolarHBondContact O-SG 3.34Å; F260-V271 HydrophobicContact CD2-CG1 3.8Å; F260-V271 HydrophobicContact CE2-CG1 3.54Å; F260-L272 HydrophobicContact CE2-CD2 4.46Å; F260-L272 HydrophobicContact CZ-CD2 3.83Å; F260-V275 HydrophobicContact CD2-CG2 4.04Å; F260-V275 HydrophobicContact CE2-CB 4.2Å; F260-V275 HydrophobicContact CE2-CG1 4.37Å; F260-V275 HydrophobicContact CE2-CG2 3.55Å; F260-V275 HydrophobicContact CZ-CG2 4.5Å; F260-M293 HydrophobicContact CE1-CE 4.44Å; F260-M293 HydrophobicContact CE1-CG 3.74Å; F260-M293 HydrophobicContact CZ-CE 3.97Å; F260-M293 HydrophobicContact CZ-CG 4.2Å; F260-L296 HydrophobicContact CE1-CD2 3.89Å; F260-L296 HydrophobicContact CE1-CG 4.49Å; F260-L296 HydrophobicContact CZ-CD2 4.29Å |
| 261 | G | 90 | Very high | 87 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A257 I259 L263 C264 H265 | A257-G261 PolarHBondContact O-N 2.88Å; I259-G261 PolarHBondContact O-N 3.17Å; G261-L263 VanDerWaalsContact C-N 3.34Å; G261-L263 PolarHBondContact O-N 2.84Å; G261-C264 WeakPolarHBondContact O-CB 3.39Å; G261-C264 PolarHBondContact O-N 3.31Å; G261-C264 VanDerWaalsContact O-N 3.15Å; G261-H265 PolarHBondContact O-CD2 3.31Å; G261-H265 PolarHBondContact O-N 3.28Å; G261-H265 VanDerWaalsContact O-N 3.17Å; G261-H265 PolarHBondContact O-NE2 3.34Å |
| 262 | R | 90.8 | Very high | 88.1 | Confident | 163 Ų | 163 | 41.8 Ų | 41.8 | 62% | 0.615 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -58.6 | -41.6 | 176 | -80.9 | 178.4 | 177 | -172.5 | -2.4 | 112.9 | T198 R258 I259 F260 C264 H265 | T198-R262 HydrophobicContact CG2-CB 3.8Å; T198-R262 HydrophobicContact CG2-CG 4.04Å; T198-R262 WeakPolarHBondContact CG2-O 3.45Å; T198-R262 PolarHBondContact OG1-O 3.44Å; R258-R262 WeakPolarHBondContact O-CB 3.22Å; R258-R262 WeakPolarHBondContact O-CG 3.27Å; R258-R262 PolarHBondContact O-N 3Å; I259-R262 WeakPolarHBondContact O-CB 3.42Å; I259-R262 PolarHBondContact O-N 3.03Å; I259-R262 VanDerWaalsContact O-N 3.14Å; F260-R262 VanDerWaalsContact C-N 3.34Å; F260-R262 PolarHBondContact O-N 3.43Å; R262-C264 VanDerWaalsContact C-N 3.33Å; R262-H265 PolarHBondContact O-N 3.26Å |
| 263 | L | 91.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 176.4 | -67.1 | 175.4 | 0 | 0 | 0 | 111.6 | V242 Q245 T246 I259 F260 G261 H265 S266 Y267 V271 | V242-L263 HydrophobicContact CG2-CD2 4.31Å; Q245-L263 HydrophobicContact CB-CD1 3.76Å; T246-L263 HydrophobicContact CG2-CD1 3.93Å; I259-L263 HydrophobicContact CG2-CD1 4.36Å; I259-L263 WeakPolarHBondContact O-CG 3.36Å; I259-L263 PolarHBondContact O-N 3.05Å; F260-L263 PolarHBondContact O-N 2.9Å; G261-L263 VanDerWaalsContact C-N 3.34Å; G261-L263 PolarHBondContact O-N 2.84Å; L263-H265 VanDerWaalsContact C-N 3.26Å; L263-H265 PolarHBondContact O-N 2.97Å; L263-S266 PolarHBondContact O-N 3.33Å; L263-Y267 PolarHBondContact O-N 3.28Å; L263-V271 HydrophobicContact CB-CG1 4.32Å; L263-V271 HydrophobicContact CB-CG2 3.78Å |
| 264 | C | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -24.4 | 177.6 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | F260 G261 R262 S266 P268 V271 L296 S300 | F260-C264 PolarHBondContact O-N 2.86Å; F260-C264 PolarHBondContact O-SG 3.34Å; G261-C264 WeakPolarHBondContact O-CB 3.39Å; G261-C264 PolarHBondContact O-N 3.31Å; G261-C264 VanDerWaalsContact O-N 3.15Å; R262-C264 VanDerWaalsContact C-N 3.33Å; C264-S266 PolarHBondContact O-N 3.31Å; C264-P268 HydrophobicContact CB-CB 4.47Å; C264-P268 VanDerWaalsContact O-CB 3.27Å; C264-P268 WeakPolarHBondContact O-CB 3.47Å; C264-P268 WeakPolarHBondContact O-CD 3.47Å; C264-P268 WeakPolarHBondContact O-CG 3.26Å; C264-V271 WeakPolarHBondContact SG-CG1 3.44Å; C264-L296 HydrophobicContact CB-CD2 3.43Å; C264-L296 VanDerWaalsContact CB-CD2 3.43Å; C264-L296 WeakPolarHBondContact SG-CD2 3.14Å; C264-S300 PolarHBondContact O-OG 3.06Å |
| 265 | H | 94.3 | Very high | 90.3 | Very high | 23 Ų | 23 | 36.2 Ų | 36.2 | 11% | 0.106 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21.5 | 176.5 | -54.2 | 158.4 | 0 | 0 | 0 | 113.1 | T198 G261 R262 L263 Y295 T297 | T198-H265 HydrophobicContact CG2-CB 4.06Å; G261-H265 PolarHBondContact O-CD2 3.31Å; G261-H265 PolarHBondContact O-N 3.28Å; G261-H265 VanDerWaalsContact O-N 3.17Å; G261-H265 PolarHBondContact O-NE2 3.34Å; R262-H265 PolarHBondContact O-N 3.26Å; L263-H265 VanDerWaalsContact C-N 3.26Å; L263-H265 PolarHBondContact O-N 2.97Å; H265-Y295 PolarHBondContact NE2-O 3.44Å; H265-T297 VanDerWaalsContact CD2-CG2 3.42Å; H265-T297 WeakPolarHBondContact CD2-CG2 3.38Å |
| 266 | S | 91.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.028 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -41 | -177.9 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | L193 T194 L263 C264 | L193-S266 CarbonylContact C-O 3.52Å; L193-S266 PolarHBondContact O-OG 3.08Å; T194-S266 VanDerWaalsContact CA-O 3.24Å; T194-S266 WeakPolarHBondContact CA-O 3.04Å; T194-S266 WeakPolarHBondContact CA-OG 3.19Å; T194-S266 PolarHBondContact N-O 3.41Å; T194-S266 PolarHBondContact O-OG 3.27Å; T194-S266 VanDerWaalsContact O-OG 3.05Å; T194-S266 PolarHBondContact OG1-O 3Å; L263-S266 PolarHBondContact O-N 3.33Å; C264-S266 PolarHBondContact O-N 3.31Å |
| 267 | Y | 91.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | trans | -139.2 | 60.3 | -176.6 | -152 | 173.7 | 0 | 0 | 0 | 113.5 | T194 K238 R239 V242 L263 V269 V270 V271 | T194-Y267 HydrophobicContact CG2-CD1 3.4Å; T194-Y267 HydrophobicContact CG2-CD2 4.12Å; T194-Y267 HydrophobicContact CG2-CE1 3.64Å; T194-Y267 HydrophobicContact CG2-CE2 4.33Å; T194-Y267 HydrophobicContact CG2-CG 3.64Å; K238-Y267 HydrophobicContact CG-CD1 4.47Å; R239-Y267 HydrophobicContact CB-CE1 4.28Å; V242-Y267 HydrophobicContact CG2-CD1 4.44Å; L263-Y267 PolarHBondContact O-N 3.28Å; Y267-V269 PolarHBondContact O-N 3.17Å; Y267-V270 HydrophobicContact CD1-CB 4.34Å; Y267-V270 HydrophobicContact CD1-CG2 4.36Å; Y267-V270 HydrophobicContact CD2-CB 4.15Å; Y267-V270 HydrophobicContact CD2-CG2 3.95Å; Y267-V270 HydrophobicContact CE1-CB 4.34Å; Y267-V270 HydrophobicContact CE1-CG2 3.9Å; Y267-V270 HydrophobicContact CE2-CB 4.15Å; Y267-V270 HydrophobicContact CE2-CG2 3.44Å; Y267-V270 VanDerWaalsContact CE2-CG2 3.44Å; Y267-V270 HydrophobicContact CG-CB 4.27Å; Y267-V270 HydrophobicContact CG-CG2 4.4Å; Y267-V270 VanDerWaalsContact CZ-CG2 3.42Å; Y267-V271 WeakPolarHBondContact O-CG2 3.24Å; Y267-V271 PolarHBondContact O-N 2.93Å | ||
| 268 | P | 95 | Very high | 92 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | -172.7 | 23.3 | -30.6 | 0 | 0 | 0 | 113.1 | W225 C264 V270 V271 L272 V303 | W225-P268 HydrophobicContact CH2-CG 3.48Å; W225-P268 VanDerWaalsContact CH2-CG 3.48Å; W225-P268 HydrophobicContact CZ2-CG 4.45Å; W225-P268 HydrophobicContact CZ3-CG 3.6Å; C264-P268 HydrophobicContact CB-CB 4.47Å; C264-P268 VanDerWaalsContact O-CB 3.27Å; C264-P268 WeakPolarHBondContact O-CB 3.47Å; C264-P268 WeakPolarHBondContact O-CD 3.47Å; C264-P268 WeakPolarHBondContact O-CG 3.26Å; P268-V270 PolarHBondContact O-N 3.46Å; P268-V271 PolarHBondContact O-N 3.43Å; P268-L272 HydrophobicContact CB-CD1 4.02Å; P268-L272 WeakPolarHBondContact O-CB 3.49Å; P268-L272 WeakPolarHBondContact O-CD1 3.44Å; P268-L272 WeakPolarHBondContact O-CG 3.35Å; P268-L272 PolarHBondContact O-N 3.2Å; P268-V303 HydrophobicContact CB-CB 4.31Å; P268-V303 HydrophobicContact CB-CG1 4.09Å; P268-V303 HydrophobicContact CB-CG2 4.49Å; P268-V303 HydrophobicContact CG-CG1 4.45Å; P268-V303 HydrophobicContact CG-CG2 4.22Å |
| 269 | V | 94.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.03 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -47.1 | -173.1 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | W225 A226 Y267 D273 V303 Y306 | W225-V269 HydrophobicContact CD2-CG2 3.91Å; W225-V269 HydrophobicContact CE3-CG2 3.37Å; W225-V269 HydrophobicContact CG-CG2 4.42Å; W225-V269 HydrophobicContact CZ3-CG2 3.91Å; A226-V269 HydrophobicContact CB-CG1 3.58Å; Y267-V269 PolarHBondContact O-N 3.17Å; V269-D273 VanDerWaalsContact O-CB 3.31Å; V269-D273 WeakPolarHBondContact O-CB 3.12Å; V269-D273 PolarHBondContact O-N 3.24Å; V269-V303 HydrophobicContact CB-CG1 4.09Å; V269-V303 HydrophobicContact CG2-CG1 3.59Å; V269-V303 HydrophobicContact CG2-CG2 4.33Å; V269-Y306 HydrophobicContact CG1-CD1 4.5Å; V269-Y306 HydrophobicContact CG1-CE1 4.05Å |
| 270 | V | 91.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 4% | 0.042 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -73 | -44 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | R239 V242 Y267 P268 L272 D273 L274 | R239-V270 HydrophobicContact CG-CG1 4.21Å; V242-V270 HydrophobicContact CG1-CG1 4.41Å; Y267-V270 HydrophobicContact CD1-CB 4.34Å; Y267-V270 HydrophobicContact CD1-CG2 4.36Å; Y267-V270 HydrophobicContact CD2-CB 4.15Å; Y267-V270 HydrophobicContact CD2-CG2 3.95Å; Y267-V270 HydrophobicContact CE1-CB 4.34Å; Y267-V270 HydrophobicContact CE1-CG2 3.9Å; Y267-V270 HydrophobicContact CE2-CB 4.15Å; Y267-V270 HydrophobicContact CE2-CG2 3.44Å; Y267-V270 VanDerWaalsContact CE2-CG2 3.44Å; Y267-V270 HydrophobicContact CG-CB 4.27Å; Y267-V270 HydrophobicContact CG-CG2 4.4Å; Y267-V270 VanDerWaalsContact CZ-CG2 3.42Å; P268-V270 PolarHBondContact O-N 3.46Å; V270-L272 PolarHBondContact O-N 2.91Å; V270-D273 PolarHBondContact O-N 3.38Å; V270-L274 HydrophobicContact CG1-CD1 3.82Å; V270-L274 HydrophobicContact CG1-CG 4.41Å; V270-L274 WeakPolarHBondContact O-CD1 3.28Å; V270-L274 WeakPolarHBondContact O-CG 3.09Å; V270-L274 PolarHBondContact O-N 2.94Å; V270-L274 VanDerWaalsContact O-N 3.09Å |
| 271 | V | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | -178.3 | 174.9 | 0 | 0 | 0 | 0 | 111 | V242 T246 F260 L263 C264 Y267 P268 L274 V275 | V242-V271 HydrophobicContact CG1-CB 4.48Å; V242-V271 HydrophobicContact CG1-CG2 3.42Å; V242-V271 VanDerWaalsContact CG1-CG2 3.42Å; V242-V271 HydrophobicContact CG2-CG2 4.43Å; T246-V271 HydrophobicContact CG2-CB 4.49Å; T246-V271 HydrophobicContact CG2-CG1 3.93Å; T246-V271 HydrophobicContact CG2-CG2 4.33Å; F260-V271 HydrophobicContact CD2-CG1 3.8Å; F260-V271 HydrophobicContact CE2-CG1 3.54Å; L263-V271 HydrophobicContact CB-CG1 4.32Å; L263-V271 HydrophobicContact CB-CG2 3.78Å; C264-V271 WeakPolarHBondContact SG-CG1 3.44Å; Y267-V271 WeakPolarHBondContact O-CG2 3.24Å; Y267-V271 PolarHBondContact O-N 2.93Å; P268-V271 PolarHBondContact O-N 3.43Å; V271-L274 PolarHBondContact O-N 3.31Å; V271-V275 WeakPolarHBondContact O-CG2 3.48Å; V271-V275 PolarHBondContact O-N 3.22Å |
| 272 | L | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70 | -40.4 | -177.4 | -65.3 | 168.8 | 0 | 0 | 0 | 111.3 | F260 P268 V270 L274 V275 L276 M293 L296 S300 V303 L304 | F260-L272 HydrophobicContact CE2-CD2 4.46Å; F260-L272 HydrophobicContact CZ-CD2 3.83Å; P268-L272 HydrophobicContact CB-CD1 4.02Å; P268-L272 WeakPolarHBondContact O-CB 3.49Å; P268-L272 WeakPolarHBondContact O-CD1 3.44Å; P268-L272 WeakPolarHBondContact O-CG 3.35Å; P268-L272 PolarHBondContact O-N 3.2Å; V270-L272 PolarHBondContact O-N 2.91Å; L272-L274 PolarHBondContact O-N 2.83Å; L272-V275 PolarHBondContact O-N 2.69Å; L272-L276 WeakPolarHBondContact O-CB 3.14Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.47Å; L272-L276 PolarHBondContact O-N 3.03Å; L272-M293 HydrophobicContact CD2-CE 3.97Å; L272-L296 HydrophobicContact CD2-CD1 4.21Å; L272-L296 HydrophobicContact CD2-CD2 4.42Å; L272-S300 VanDerWaalsContact CD1-O 3.32Å; L272-S300 WeakPolarHBondContact CD1-O 3.48Å; L272-V303 HydrophobicContact CD1-CB 4.27Å; L272-V303 HydrophobicContact CD1-CG1 3.96Å; L272-L304 HydrophobicContact CB-CD1 4.5Å; L272-L304 HydrophobicContact CD1-CB 4Å; L272-L304 HydrophobicContact CD2-CD1 4.26Å |
| 273 | D | 93.8 | Very high | 93.2 | Very high | 47 Ų | 47 | 29.6 Ų | 29.6 | 25% | 0.251 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.4 | -174 | 65.7 | 0 | 0 | 0 | 112.2 | V269 V270 V275 L276 N277 Q311 | V269-D273 VanDerWaalsContact O-CB 3.31Å; V269-D273 WeakPolarHBondContact O-CB 3.12Å; V269-D273 PolarHBondContact O-N 3.24Å; V270-D273 PolarHBondContact O-N 3.38Å; D273-V275 VanDerWaalsContact C-N 3.34Å; D273-V275 PolarHBondContact O-N 3.22Å; D273-L276 PolarHBondContact O-N 2.87Å; D273-N277 PolarHBondContact O-N 3.15Å; D273-N277 PolarHBondContact O-ND2 3.46Å; D273-N277 PolarHBondContact OD2-ND2 3.29Å; D273-Q311 PolarHBondContact OD1-NE2 3.47Å |
| 274 | L | 91.7 | Very high | 93.2 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 21% | 0.209 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -38.3 | 177 | -69.3 | 169 | 0 | 0 | 0 | 112.9 | V242 L243 V270 V271 L272 Q278 | V242-L274 HydrophobicContact CG1-CD1 4.41Å; L243-L274 HydrophobicContact CD2-CD1 3.46Å; L243-L274 VanDerWaalsContact CD2-CD1 3.46Å; L243-L274 HydrophobicContact CD2-CD2 3.56Å; L243-L274 HydrophobicContact CD2-CG 4.15Å; L243-L274 HydrophobicContact CG-CD1 4.11Å; V270-L274 HydrophobicContact CG1-CD1 3.82Å; V270-L274 HydrophobicContact CG1-CG 4.41Å; V270-L274 WeakPolarHBondContact O-CD1 3.28Å; V270-L274 WeakPolarHBondContact O-CG 3.09Å; V270-L274 PolarHBondContact O-N 2.94Å; V270-L274 VanDerWaalsContact O-N 3.09Å; V271-L274 PolarHBondContact O-N 3.31Å; L272-L274 PolarHBondContact O-N 2.83Å; L274-Q278 PolarHBondContact O-N 2.91Å; L274-Q278 PolarHBondContact O-NE2 3.46Å |
| 275 | V | 92.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.4 | -41.1 | 177.9 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | L248 F260 V271 L272 D273 N277 Q278 V279 V289 M293 | L248-V275 HydrophobicContact CD1-CB 4.38Å; L248-V275 HydrophobicContact CD1-CG1 3.88Å; L248-V275 HydrophobicContact CD1-CG2 3.68Å; F260-V275 HydrophobicContact CD2-CG2 4.04Å; F260-V275 HydrophobicContact CE2-CB 4.2Å; F260-V275 HydrophobicContact CE2-CG1 4.37Å; F260-V275 HydrophobicContact CE2-CG2 3.55Å; F260-V275 HydrophobicContact CZ-CG2 4.5Å; V271-V275 WeakPolarHBondContact O-CG2 3.48Å; V271-V275 PolarHBondContact O-N 3.22Å; L272-V275 PolarHBondContact O-N 2.69Å; D273-V275 VanDerWaalsContact C-N 3.34Å; D273-V275 PolarHBondContact O-N 3.22Å; V275-N277 VanDerWaalsContact C-N 3.29Å; V275-N277 PolarHBondContact O-N 3.39Å; V275-Q278 PolarHBondContact O-N 3.45Å; V275-Q278 VanDerWaalsContact O-N 3.13Å; V275-V279 HydrophobicContact CG1-CG2 4.28Å; V275-V279 WeakPolarHBondContact O-CG2 3.43Å; V275-V279 PolarHBondContact O-N 2.9Å; V275-V289 HydrophobicContact CG1-CG1 3.64Å; V275-V289 HydrophobicContact CG1-CG2 4.44Å; V275-M293 HydrophobicContact CG1-CE 4.37Å |
| 276 | L | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 174.7 | -73.5 | -179.9 | 0 | 0 | 0 | 111.6 | L272 D273 Q278 V279 Q280 L304 C307 I308 Q311 L334 F337 | L272-L276 WeakPolarHBondContact O-CB 3.14Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.47Å; L272-L276 PolarHBondContact O-N 3.03Å; D273-L276 PolarHBondContact O-N 2.87Å; L276-Q278 VanDerWaalsContact C-N 3.3Å; L276-Q278 PolarHBondContact O-N 2.75Å; L276-V279 PolarHBondContact O-N 2.84Å; L276-Q280 WeakPolarHBondContact O-CB 3.47Å; L276-Q280 WeakPolarHBondContact O-CG 3.28Å; L276-Q280 PolarHBondContact O-N 3.43Å; L276-Q280 PolarHBondContact O-NE2 2.94Å; L276-L304 HydrophobicContact CD1-CD1 4.17Å; L276-L304 HydrophobicContact CD2-CD1 4.21Å; L276-L304 HydrophobicContact CG-CD1 4.35Å; L276-C307 HydrophobicContact CD1-CB 3.58Å; L276-I308 HydrophobicContact CD1-CG1 4Å; L276-I308 HydrophobicContact CD2-CG1 4.35Å; L276-Q311 HydrophobicContact CB-CG 4.46Å; L276-Q311 HydrophobicContact CD1-CG 4.24Å; L276-L334 HydrophobicContact CD2-CD1 4.28Å; L276-F337 HydrophobicContact CD2-CD1 3.7Å; L276-F337 HydrophobicContact CD2-CE1 3.34Å; L276-F337 HydrophobicContact CD2-CZ 3.94Å |
| 277 | N | 93.6 | Very high | 93.2 | Very high | 51 Ų | 51 | 38 Ų | 38 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -36.7 | 174.9 | -76.4 | -47.7 | 0 | 0 | 0 | 112.4 | D273 V275 Q281 Q311 | D273-N277 PolarHBondContact O-N 3.15Å; D273-N277 PolarHBondContact O-ND2 3.46Å; D273-N277 PolarHBondContact OD2-ND2 3.29Å; V275-N277 VanDerWaalsContact C-N 3.29Å; V275-N277 PolarHBondContact O-N 3.39Å; N277-Q281 WeakPolarHBondContact O-CG 3.5Å; N277-Q311 PolarHBondContact OD1-NE2 3.36Å; N277-Q311 PolarHBondContact OD1-OE1 2.95Å |
| 278 | Q | 92.5 | Very high | 93.2 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.6 | -43.1 | 174.3 | -72.5 | 173.1 | 78.7 | 0 | 0 | 112.4 | T246 L274 V275 L276 Q280 Q281 F282 L285 | T246-Q278 PolarHBondContact O-NE2 2.91Å; L274-Q278 PolarHBondContact O-N 2.91Å; L274-Q278 PolarHBondContact O-NE2 3.46Å; V275-Q278 PolarHBondContact O-N 3.45Å; V275-Q278 VanDerWaalsContact O-N 3.13Å; L276-Q278 VanDerWaalsContact C-N 3.3Å; L276-Q278 PolarHBondContact O-N 2.75Å; Q278-Q280 VanDerWaalsContact C-N 3.3Å; Q278-Q280 PolarHBondContact O-N 2.93Å; Q278-Q281 PolarHBondContact O-N 2.91Å; Q278-Q281 VanDerWaalsContact O-N 3.13Å; Q278-F282 PolarHBondContact O-N 3Å; Q278-L285 HydrophobicContact CB-CD1 4.49Å |
| 279 | V | 94.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 177.5 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | V275 L276 Q281 F282 L285 V286 V289 T333 F337 | V275-V279 HydrophobicContact CG1-CG2 4.28Å; V275-V279 WeakPolarHBondContact O-CG2 3.43Å; V275-V279 PolarHBondContact O-N 2.9Å; L276-V279 PolarHBondContact O-N 2.84Å; V279-Q281 PolarHBondContact O-N 3.24Å; V279-Q281 VanDerWaalsContact O-N 3.15Å; V279-F282 CarbonylContact O-C 3.56Å; V279-F282 PolarHBondContact O-N 2.99Å; V279-F282 VanDerWaalsContact O-N 3.07Å; V279-L285 HydrophobicContact CG2-CB 4.48Å; V279-V286 HydrophobicContact CG1-CG2 3.88Å; V279-V289 HydrophobicContact CG2-CB 4.1Å; V279-V289 HydrophobicContact CG2-CG1 4.03Å; V279-V289 HydrophobicContact CG2-CG2 3.9Å; V279-T333 HydrophobicContact CG1-CG2 4.17Å; V279-T333 WeakPolarHBondContact O-CG2 3.44Å; V279-F337 HydrophobicContact CG1-CB 3.86Å; V279-F337 HydrophobicContact CG1-CD2 3.98Å; V279-F337 HydrophobicContact CG1-CG 3.99Å |
| 280 | Q | 95.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -24.1 | 177.5 | -78 | 173.3 | 78.9 | 0 | 0 | 114.4 | L276 Q278 W330 L334 | L276-Q280 WeakPolarHBondContact O-CB 3.47Å; L276-Q280 WeakPolarHBondContact O-CG 3.28Å; L276-Q280 PolarHBondContact O-N 3.43Å; L276-Q280 PolarHBondContact O-NE2 2.94Å; Q278-Q280 VanDerWaalsContact C-N 3.3Å; Q278-Q280 PolarHBondContact O-N 2.93Å; Q280-W330 HydrophobicContact CB-CB 4.17Å; Q280-W330 WeakPolarHBondContact O-CA 3.31Å; Q280-L334 HydrophobicContact CG-CB 4.1Å; Q280-L334 HydrophobicContact CG-CD1 4.38Å |
| 281 | Q | 92.5 | Very high | 93.1 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 64% | 0.64 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -86.2 | -25.8 | 177.4 | -67.2 | 175.7 | 7.3 | 0 | 0 | 112.6 | N277 Q278 V279 | N277-Q281 WeakPolarHBondContact O-CG 3.5Å; Q278-Q281 PolarHBondContact O-N 2.91Å; Q278-Q281 VanDerWaalsContact O-N 3.13Å; V279-Q281 PolarHBondContact O-N 3.24Å; V279-Q281 VanDerWaalsContact O-N 3.15Å |
| 282 | F | 91.7 | Very high | 92.9 | Very high | 107 Ų | 107 | 42.4 Ų | 42.4 | 47% | 0.469 | 21% | 0.211 | S | C | . | . | trans | -139.6 | 99 | -167.5 | -59.4 | -68.2 | 0 | 0 | 0 | 111.9 | Q278 V279 N284 L285 | Q278-F282 PolarHBondContact O-N 3Å; V279-F282 CarbonylContact O-C 3.56Å; V279-F282 PolarHBondContact O-N 2.99Å; V279-F282 VanDerWaalsContact O-N 3.07Å; F282-N284 WeakPolarHBondContact CB-OD1 3.34Å; F282-N284 PolarHBondContact O-N 3.39Å; F282-L285 HydrophobicContact CB-CB 4.46Å; F282-L285 HydrophobicContact CB-CD1 3.76Å; F282-L285 HydrophobicContact CB-CG 3.78Å; F282-L285 HydrophobicContact CD2-CD1 3.99Å; F282-L285 HydrophobicContact CG-CD1 4.29Å; F282-L285 WeakPolarHBondContact O-CB 3.2Å; F282-L285 PolarHBondContact O-N 2.9Å | ||
| 283 | E | 91.6 | Very high | 92.8 | Very high | 136 Ų | 136 | 42.4 Ų | 42.4 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -56.8 | -34.3 | -179.9 | -171.5 | -175.9 | 172.8 | 0 | 0 | 113.7 | L285 V286 T333 | E283-L285 PolarHBondContact O-N 3.23Å; E283-L285 VanDerWaalsContact O-N 3.09Å; E283-V286 WeakPolarHBondContact O-CB 3.43Å; E283-V286 VanDerWaalsContact O-CG2 3.26Å; E283-V286 WeakPolarHBondContact O-CG2 3.35Å; E283-V286 PolarHBondContact O-N 3.16Å; E283-T333 HydrophobicContact CB-CG2 4.19Å; E283-T333 HydrophobicContact CG-CG2 4.49Å |
| 284 | N | 91.4 | Very high | 92.8 | Very high | 88 Ų | 88 | 46.1 Ų | 46.1 | 47% | 0.471 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -66.6 | -8.9 | 177.3 | 67 | -22.8 | 0 | 0 | 0 | 114.2 | F282 P288 | F282-N284 WeakPolarHBondContact CB-OD1 3.34Å; F282-N284 PolarHBondContact O-N 3.39Å; N284-P288 WeakPolarHBondContact O-CD 3.44Å |
| 285 | L | 92.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -86.8 | -14.7 | 173 | -64.2 | -177.4 | 0 | 0 | 0 | 113.2 | K250 V253 Q278 V279 F282 E283 P288 V289 | K250-L285 HydrophobicContact CB-CD2 4.42Å; V253-L285 HydrophobicContact CG2-CD2 4.37Å; Q278-L285 HydrophobicContact CB-CD1 4.49Å; V279-L285 HydrophobicContact CG2-CB 4.48Å; F282-L285 HydrophobicContact CB-CB 4.46Å; F282-L285 HydrophobicContact CB-CD1 3.76Å; F282-L285 HydrophobicContact CB-CG 3.78Å; F282-L285 HydrophobicContact CD2-CD1 3.99Å; F282-L285 HydrophobicContact CG-CD1 4.29Å; F282-L285 WeakPolarHBondContact O-CB 3.2Å; F282-L285 PolarHBondContact O-N 2.9Å; E283-L285 PolarHBondContact O-N 3.23Å; E283-L285 VanDerWaalsContact O-N 3.09Å; L285-P288 WeakPolarHBondContact O-CD 3.43Å; L285-V289 HydrophobicContact CB-CG2 4.31Å; L285-V289 VanDerWaalsContact O-CB 3.27Å; L285-V289 WeakPolarHBondContact O-CB 3.46Å; L285-V289 WeakPolarHBondContact O-CG2 3.24Å; L285-V289 PolarHBondContact O-N 2.83Å |
| 286 | V | 94.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.5 | -61.7 | -175.7 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | V279 E283 V289 V290 T333 F337 | V279-V286 HydrophobicContact CG1-CG2 3.88Å; E283-V286 WeakPolarHBondContact O-CB 3.43Å; E283-V286 VanDerWaalsContact O-CG2 3.26Å; E283-V286 WeakPolarHBondContact O-CG2 3.35Å; E283-V286 PolarHBondContact O-N 3.16Å; V286-V289 PolarHBondContact O-N 3.43Å; V286-V290 VanDerWaalsContact O-CG2 3.28Å; V286-V290 WeakPolarHBondContact O-CG2 3.48Å; V286-V290 PolarHBondContact O-N 3.26Å; V286-T333 HydrophobicContact CG2-CG2 3.7Å; V286-F337 HydrophobicContact CG1-CB 4.18Å; V286-F337 HydrophobicContact CG1-CD2 4.48Å; V286-F337 HydrophobicContact CG2-CB 4.24Å |
| 287 | D | 93.5 | Very high | 93 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 62% | 0.62 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.2 | -44.7 | -176.6 | -62.4 | -42 | 0 | 0 | 0 | 113.5 | V289 V290 E291 | D287-V289 VanDerWaalsContact C-N 3.29Å; D287-V289 PolarHBondContact O-N 3.25Å; D287-V290 PolarHBondContact O-N 3.04Å; D287-E291 WeakPolarHBondContact O-CB 3.49Å; D287-E291 PolarHBondContact O-N 3.13Å |
| 288 | P | 91.6 | Very high | 93.1 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -40.8 | 174.8 | -27.3 | 35.6 | 0 | 0 | 0 | 113.6 | V253 N284 L285 E291 S292 | V253-P288 HydrophobicContact CB-CB 4.03Å; V253-P288 VanDerWaalsContact CG1-C 3.48Å; V253-P288 HydrophobicContact CG1-CB 3.68Å; V253-P288 VanDerWaalsContact CG1-O 3.27Å; V253-P288 WeakPolarHBondContact CG1-O 3.09Å; N284-P288 WeakPolarHBondContact O-CD 3.44Å; L285-P288 WeakPolarHBondContact O-CD 3.43Å; P288-E291 PolarHBondContact O-N 3.37Å; P288-S292 PolarHBondContact O-N 2.81Å |
| 289 | V | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72 | -41.9 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 111 | L248 V253 V275 V279 L285 V286 D287 E291 S292 M293 F337 | L248-V289 HydrophobicContact CD1-CG2 4.01Å; V253-V289 HydrophobicContact CG1-CG2 4.25Å; V275-V289 HydrophobicContact CG1-CG1 3.64Å; V275-V289 HydrophobicContact CG1-CG2 4.44Å; V279-V289 HydrophobicContact CG2-CB 4.1Å; V279-V289 HydrophobicContact CG2-CG1 4.03Å; V279-V289 HydrophobicContact CG2-CG2 3.9Å; L285-V289 HydrophobicContact CB-CG2 4.31Å; L285-V289 VanDerWaalsContact O-CB 3.27Å; L285-V289 WeakPolarHBondContact O-CB 3.46Å; L285-V289 WeakPolarHBondContact O-CG2 3.24Å; L285-V289 PolarHBondContact O-N 2.83Å; V286-V289 PolarHBondContact O-N 3.43Å; D287-V289 VanDerWaalsContact C-N 3.29Å; D287-V289 PolarHBondContact O-N 3.25Å; V289-E291 PolarHBondContact O-N 3.22Å; V289-S292 PolarHBondContact O-N 3.5Å; V289-S292 VanDerWaalsContact O-N 3.07Å; V289-S292 PolarHBondContact O-OG 3.47Å; V289-M293 HydrophobicContact CG1-CE 3.72Å; V289-M293 HydrophobicContact CG1-SD 4.3Å; V289-M293 WeakPolarHBondContact O-CG 3.32Å; V289-M293 PolarHBondContact O-N 3.42Å; V289-F337 HydrophobicContact CG1-CE2 4.02Å |
| 290 | V | 94.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -36.8 | 173.5 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | V286 D287 F337 I341 K344 Y345 | V286-V290 VanDerWaalsContact O-CG2 3.28Å; V286-V290 WeakPolarHBondContact O-CG2 3.48Å; V286-V290 PolarHBondContact O-N 3.26Å; D287-V290 PolarHBondContact O-N 3.04Å; V290-F337 HydrophobicContact CG2-CD2 3.8Å; V290-F337 HydrophobicContact CG2-CE2 3.74Å; V290-I341 HydrophobicContact CB-CD1 4.36Å; V290-I341 HydrophobicContact CG1-CD1 4.1Å; V290-I341 HydrophobicContact CG2-CB 4.29Å; V290-I341 HydrophobicContact CG2-CD1 4.13Å; V290-K344 HydrophobicContact CG1-CB 4.41Å; V290-K344 HydrophobicContact CG1-CD 3.85Å; V290-Y345 HydrophobicContact CG1-CE2 4.3Å; V290-Y345 VanDerWaalsContact O-CE2 3.24Å; V290-Y345 WeakPolarHBondContact O-CE2 3.33Å; V290-Y345 PolarHBondContact O-OH 3.35Å |
| 291 | E | 91.8 | Very high | 93.6 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.7 | -37 | 174 | -171.6 | 58 | -137.9 | 0 | 0 | 112.7 | D287 P288 V289 M293 R294 K344 | D287-E291 WeakPolarHBondContact O-CB 3.49Å; D287-E291 PolarHBondContact O-N 3.13Å; P288-E291 PolarHBondContact O-N 3.37Å; V289-E291 PolarHBondContact O-N 3.22Å; E291-M293 VanDerWaalsContact C-N 3.31Å; E291-M293 PolarHBondContact O-N 3.12Å; E291-R294 WeakPolarHBondContact O-CG 3.32Å; E291-R294 IonicContact OE1-NH1 2.72Å; E291-K344 IonicContact OE1-NZ 4Å; E291-K344 IonicContact OE2-NZ 3.47Å; E291-K344 PolarHBondContact OE2-NZ 2.94Å |
| 292 | S | 89.3 | Confident | 93.8 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.9 | -27.7 | 179.7 | 76 | 0 | 0 | 0 | 0 | 113 | A257 P288 V289 R294 | A257-S292 VanDerWaalsContact CB-CB 3.49Å; P288-S292 PolarHBondContact O-N 2.81Å; V289-S292 PolarHBondContact O-N 3.5Å; V289-S292 VanDerWaalsContact O-N 3.07Å; V289-S292 PolarHBondContact O-OG 3.47Å; S292-R294 PolarHBondContact O-N 2.86Å; S292-R294 VanDerWaalsContact O-N 3.08Å |
| 293 | M | 92.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -67 | -3.8 | -179.9 | -76.2 | -179.3 | 171.7 | 0 | 0 | 115.3 | F260 L272 V275 V289 E291 Y295 L296 Y301 L304 F337 I341 Y345 | F260-M293 HydrophobicContact CE1-CE 4.44Å; F260-M293 HydrophobicContact CE1-CG 3.74Å; F260-M293 HydrophobicContact CZ-CE 3.97Å; F260-M293 HydrophobicContact CZ-CG 4.2Å; L272-M293 HydrophobicContact CD2-CE 3.97Å; V275-M293 HydrophobicContact CG1-CE 4.37Å; V289-M293 HydrophobicContact CG1-CE 3.72Å; V289-M293 HydrophobicContact CG1-SD 4.3Å; V289-M293 WeakPolarHBondContact O-CG 3.32Å; V289-M293 PolarHBondContact O-N 3.42Å; E291-M293 VanDerWaalsContact C-N 3.31Å; E291-M293 PolarHBondContact O-N 3.12Å; M293-Y295 PolarHBondContact O-N 3.02Å; M293-L296 HydrophobicContact CB-CD1 3.85Å; M293-L296 HydrophobicContact CB-CG 4.09Å; M293-L296 HydrophobicContact CG-CD1 3.77Å; M293-L296 HydrophobicContact CG-CG 4.25Å; M293-L296 VanDerWaalsContact O-CB 3.3Å; M293-L296 WeakPolarHBondContact O-CB 3.43Å; M293-L296 VanDerWaalsContact O-CG 3.24Å; M293-L296 WeakPolarHBondContact O-CG 3.27Å; M293-L296 PolarHBondContact O-N 3.04Å; M293-L296 HydrophobicContact SD-CD1 4.19Å; M293-Y301 PolarHBondContact O-OH 2.89Å; M293-L304 HydrophobicContact CE-CD1 4.3Å; M293-L304 HydrophobicContact CE-CD2 4.21Å; M293-L304 HydrophobicContact SD-CD2 3.77Å; M293-F337 HydrophobicContact CE-CE2 4.1Å; M293-F337 HydrophobicContact CE-CZ 3.68Å; M293-F337 HydrophobicContact SD-CE2 3.99Å; M293-F337 HydrophobicContact SD-CZ 3.67Å; M293-I341 HydrophobicContact CB-CD1 3.92Å; M293-I341 HydrophobicContact CG-CD1 4.29Å; M293-I341 HydrophobicContact SD-CD1 3.43Å; M293-I341 WeakPolarHBondContact SD-CD1 3.29Å; M293-I341 HydrophobicContact SD-CG1 4.21Å; M293-Y345 HydrophobicContact CB-CE2 4.2Å |
| 294 | R | 93.4 | Very high | 94.4 | Very high | 126 Ų | 126 | 29.3 Ų | 29.3 | 48% | 0.475 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -58.8 | -17.2 | 174.9 | 68.1 | -175.1 | 176.8 | -176.1 | -4.9 | 115.2 | E291 S292 Y345 | E291-R294 WeakPolarHBondContact O-CG 3.32Å; E291-R294 IonicContact OE1-NH1 2.72Å; S292-R294 PolarHBondContact O-N 2.86Å; S292-R294 VanDerWaalsContact O-N 3.08Å; R294-Y345 WeakPolarHBondContact CA-OH 3.3Å; R294-Y345 HydrophobicContact CB-CE1 4.12Å; R294-Y345 WeakPolarHBondContact CB-OH 3.47Å; R294-Y345 PolarHBondContact N-OH 2.95Å |
| 295 | Y | 92.3 | Very high | 94.6 | Very high | 69 Ų | 69 | 25.2 Ų | 25.2 | 27% | 0.271 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -95.5 | 3 | 180 | -59.9 | -68.8 | 0 | 0 | 0 | 113.4 | A257 R258 H265 M293 | A257-Y295 HydrophobicContact CB-CD2 4.12Å; A257-Y295 HydrophobicContact CB-CE2 3.83Å; A257-Y295 WeakPolarHBondContact O-CD2 3.29Å; R258-Y295 HydrophobicContact CG-CD2 4.34Å; R258-Y295 HydrophobicContact CG-CE1 4.1Å; R258-Y295 HydrophobicContact CG-CE2 3.67Å; R258-Y295 PolarHBondContact NE-OH 3.08Å; H265-Y295 PolarHBondContact NE2-O 3.44Å; M293-Y295 PolarHBondContact O-N 3.02Å |
| 296 | L | 95.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 26 Ų | 26 | 7% | 0.073 | 13% | 0.125 | C | C | . | . | trans | -68.3 | 145.1 | 174.3 | -67.3 | -170.1 | 0 | 0 | 0 | 111.1 | F260 C264 L272 M293 Y301 L304 | F260-L296 HydrophobicContact CE1-CD2 3.89Å; F260-L296 HydrophobicContact CE1-CG 4.49Å; F260-L296 HydrophobicContact CZ-CD2 4.29Å; C264-L296 HydrophobicContact CB-CD2 3.43Å; C264-L296 VanDerWaalsContact CB-CD2 3.43Å; C264-L296 WeakPolarHBondContact SG-CD2 3.14Å; L272-L296 HydrophobicContact CD2-CD1 4.21Å; L272-L296 HydrophobicContact CD2-CD2 4.42Å; M293-L296 HydrophobicContact CB-CD1 3.85Å; M293-L296 HydrophobicContact CB-CG 4.09Å; M293-L296 HydrophobicContact CG-CD1 3.77Å; M293-L296 HydrophobicContact CG-CG 4.25Å; M293-L296 VanDerWaalsContact O-CB 3.3Å; M293-L296 WeakPolarHBondContact O-CB 3.43Å; M293-L296 VanDerWaalsContact O-CG 3.24Å; M293-L296 WeakPolarHBondContact O-CG 3.27Å; M293-L296 PolarHBondContact O-N 3.04Å; M293-L296 HydrophobicContact SD-CD1 4.19Å; L296-Y301 HydrophobicContact CB-CD1 4.34Å; L296-Y301 HydrophobicContact CB-CD2 4.17Å; L296-Y301 HydrophobicContact CB-CE1 3.98Å; L296-Y301 HydrophobicContact CB-CE2 3.78Å; L296-Y301 HydrophobicContact CB-CG 4.43Å; L296-Y301 HydrophobicContact CD1-CD1 4.05Å; L296-Y301 HydrophobicContact CD1-CE1 3.92Å; L296-Y301 HydrophobicContact CG-CE1 4.45Å; L296-Y301 WeakPolarHBondContact O-CE2 3.42Å; L296-L304 HydrophobicContact CD1-CD2 4.41Å | ||
| 297 | T | 96.2 | Very high | 95 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | trans | -82.1 | 167.7 | 170.8 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | C200 S203 E204 H265 L299 S300 Y301 | C200-T297 HydrophobicContact CB-CG2 4.26Å; S203-T297 WeakPolarHBondContact OG-CB 3.34Å; S203-T297 PolarHBondContact OG-OG1 3.35Å; E204-T297 HydrophobicContact CG-CG2 4.28Å; E204-T297 WeakPolarHBondContact OE1-CA 3.32Å; E204-T297 WeakPolarHBondContact OE1-CB 3.32Å; E204-T297 WeakPolarHBondContact OE1-CG2 3.39Å; H265-T297 VanDerWaalsContact CD2-CG2 3.42Å; H265-T297 WeakPolarHBondContact CD2-CG2 3.38Å; T297-L299 VanDerWaalsContact C-N 3.28Å; T297-L299 PolarHBondContact O-N 3.47Å; T297-S300 WeakPolarHBondContact O-CB 3.31Å; T297-S300 PolarHBondContact O-N 2.71Å; T297-S300 PolarHBondContact OG1-N 2.83Å; T297-S300 PolarHBondContact OG1-OG 3.22Å; T297-Y301 WeakPolarHBondContact O-CD2 3.49Å; T297-Y301 PolarHBondContact O-N 3.2Å; T297-Y301 VanDerWaalsContact O-N 3.08Å | ||
| 298 | S | 96.5 | Very high | 95.2 | Very high | 46 Ų | 46 | 20.4 Ų | 20.4 | 32% | 0.322 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -55.5 | -44 | 175.1 | -48.1 | 0 | 0 | 0 | 0 | 112 | E204 S300 Y301 D302 | E204-S298 PolarHBondContact OE1-N 3.38Å; E204-S298 PolarHBondContact OE1-OG 3.16Å; E204-S298 VanDerWaalsContact OE2-CB 3.22Å; E204-S298 WeakPolarHBondContact OE2-CB 3.44Å; E204-S298 PolarHBondContact OE2-OG 2.97Å; S298-S300 VanDerWaalsContact C-N 3.31Å; S298-S300 PolarHBondContact O-N 3.35Å; S298-Y301 PolarHBondContact O-N 3.5Å; S298-D302 PolarHBondContact O-N 3.38Å; S298-D302 VanDerWaalsContact O-N 3.17Å |
| 299 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.2 | -46.6 | 172.8 | -178.9 | 60.3 | 0 | 0 | 0 | 111.7 | L193 M206 W207 L210 Y222 W225 T297 Y301 D302 V303 | L193-L299 HydrophobicContact CD2-CD2 3.77Å; M206-L299 HydrophobicContact CB-CD2 4.16Å; M206-L299 HydrophobicContact CG-CD2 3.99Å; W207-L299 HydrophobicContact CB-CB 4.01Å; W207-L299 HydrophobicContact CE3-CD1 4.43Å; L210-L299 HydrophobicContact CD1-CD1 3.73Å; Y222-L299 HydrophobicContact CE1-CD1 4.06Å; W225-L299 HydrophobicContact CH2-CD2 4.27Å; W225-L299 HydrophobicContact CZ3-CD2 4.32Å; T297-L299 VanDerWaalsContact C-N 3.28Å; T297-L299 PolarHBondContact O-N 3.47Å; L299-Y301 VanDerWaalsContact C-N 3.29Å; L299-Y301 PolarHBondContact O-N 3.42Å; L299-D302 PolarHBondContact O-N 3.32Å; L299-V303 HydrophobicContact CD1-CG2 4.23Å; L299-V303 HydrophobicContact CG-CG2 4.33Å; L299-V303 VanDerWaalsContact O-CG2 3.31Å; L299-V303 WeakPolarHBondContact O-CG2 3.28Å; L299-V303 PolarHBondContact O-N 3.4Å |
| 300 | S | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -34.2 | -176.9 | -59 | 0 | 0 | 0 | 0 | 112.1 | C264 L272 T297 S298 L304 | C264-S300 PolarHBondContact O-OG 3.06Å; L272-S300 VanDerWaalsContact CD1-O 3.32Å; L272-S300 WeakPolarHBondContact CD1-O 3.48Å; T297-S300 WeakPolarHBondContact O-CB 3.31Å; T297-S300 PolarHBondContact O-N 2.71Å; T297-S300 PolarHBondContact OG1-N 2.83Å; T297-S300 PolarHBondContact OG1-OG 3.22Å; S298-S300 VanDerWaalsContact C-N 3.31Å; S298-S300 PolarHBondContact O-N 3.35Å; S300-L304 WeakPolarHBondContact O-CB 3.36Å; S300-L304 PolarHBondContact O-N 3.03Å |
| 301 | Y | 97.5 | Very high | 95.5 | Very high | 27 Ų | 27 | 22.9 Ų | 22.9 | 11% | 0.106 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.1 | -38.8 | 175.2 | -75.9 | -60.9 | 0 | 0 | 0 | 112.4 | M293 L296 T297 S298 L299 L304 S305 Y345 I347 | M293-Y301 PolarHBondContact O-OH 2.89Å; L296-Y301 HydrophobicContact CB-CD1 4.34Å; L296-Y301 HydrophobicContact CB-CD2 4.17Å; L296-Y301 HydrophobicContact CB-CE1 3.98Å; L296-Y301 HydrophobicContact CB-CE2 3.78Å; L296-Y301 HydrophobicContact CB-CG 4.43Å; L296-Y301 HydrophobicContact CD1-CD1 4.05Å; L296-Y301 HydrophobicContact CD1-CE1 3.92Å; L296-Y301 HydrophobicContact CG-CE1 4.45Å; L296-Y301 WeakPolarHBondContact O-CE2 3.42Å; T297-Y301 WeakPolarHBondContact O-CD2 3.49Å; T297-Y301 PolarHBondContact O-N 3.2Å; T297-Y301 VanDerWaalsContact O-N 3.08Å; S298-Y301 PolarHBondContact O-N 3.5Å; L299-Y301 VanDerWaalsContact C-N 3.29Å; L299-Y301 PolarHBondContact O-N 3.42Å; Y301-L304 WeakPolarHBondContact O-CB 3.45Å; Y301-L304 PolarHBondContact O-N 3.31Å; Y301-S305 PolarHBondContact O-N 3.18Å; Y301-Y345 HydrophobicContact CE1-CD1 4.27Å; Y301-Y345 AromaticContact CE1-CD2 3.9Å; Y301-Y345 HydrophobicContact CE1-CD2 3.9Å; Y301-Y345 AromaticContact CE1-CG 3.66Å; Y301-Y345 HydrophobicContact CE1-CG 3.66Å; Y301-Y345 AromaticContact CZ-CD1 3.88Å; Y301-Y345 AromaticContact CZ-CG 3.75Å; Y301-Y345 WeakPolarHBondContact OH-CD1 3.42Å; Y301-Y345 WeakPolarHBondContact OH-CE1 3.08Å; Y301-I347 HydrophobicContact CD1-CD1 3.99Å; Y301-I347 HydrophobicContact CD1-CG1 3.77Å; Y301-I347 HydrophobicContact CG-CG1 4.23Å |
| 302 | D | 97.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.027 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.3 | -45.6 | 174.5 | -166.5 | 70.1 | 0 | 0 | 0 | 110.9 | W207 R218 Y222 S298 L299 L304 S305 Y306 | W207-D302 HydrophobicContact CE3-CB 4.26Å; W207-D302 HydrophobicContact CH2-CB 3.92Å; W207-D302 HydrophobicContact CZ3-CB 3.53Å; W207-D302 VanDerWaalsContact CZ3-CG 3.48Å; R218-D302 WeakPolarHBondContact CD-OD2 3.43Å; R218-D302 IonicContact CZ-OD1 3.84Å; R218-D302 IonicContact CZ-OD2 2.95Å; R218-D302 IonicContact NE-OD1 3.39Å; R218-D302 PolarHBondContact NE-OD1 3.16Å; R218-D302 IonicContact NE-OD2 2.81Å; R218-D302 PolarHBondContact NE-OD2 2.84Å; R218-D302 IonicContact NH2-OD1 3.67Å; R218-D302 PolarHBondContact NH2-OD1 3.01Å; R218-D302 IonicContact NH2-OD2 2.83Å; Y222-D302 WeakPolarHBondContact CE2-OD2 3.43Å; Y222-D302 VanDerWaalsContact CZ-OD2 3.29Å; Y222-D302 PolarHBondContact OH-OD2 2.72Å; S298-D302 PolarHBondContact O-N 3.38Å; S298-D302 VanDerWaalsContact O-N 3.17Å; L299-D302 PolarHBondContact O-N 3.32Å; D302-L304 VanDerWaalsContact C-N 3.26Å; D302-L304 PolarHBondContact O-N 2.94Å; D302-S305 WeakPolarHBondContact O-CB 3.49Å; D302-S305 PolarHBondContact O-N 3.18Å; D302-S305 VanDerWaalsContact O-N 3.08Å; D302-S305 PolarHBondContact O-OG 3Å; D302-Y306 PolarHBondContact O-N 3.48Å |
| 303 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.9 | -35.9 | 173 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | Y222 W225 P268 V269 L272 L299 S305 Y306 C307 | Y222-V303 HydrophobicContact CD1-CG2 3.85Å; Y222-V303 HydrophobicContact CD2-CG2 4.04Å; Y222-V303 HydrophobicContact CE1-CG2 3.65Å; Y222-V303 HydrophobicContact CE2-CG2 3.86Å; Y222-V303 HydrophobicContact CG-CG2 4.04Å; W225-V303 HydrophobicContact CZ3-CG2 4.45Å; P268-V303 HydrophobicContact CB-CB 4.31Å; P268-V303 HydrophobicContact CB-CG1 4.09Å; P268-V303 HydrophobicContact CB-CG2 4.49Å; P268-V303 HydrophobicContact CG-CG1 4.45Å; P268-V303 HydrophobicContact CG-CG2 4.22Å; V269-V303 HydrophobicContact CB-CG1 4.09Å; V269-V303 HydrophobicContact CG2-CG1 3.59Å; V269-V303 HydrophobicContact CG2-CG2 4.33Å; L272-V303 HydrophobicContact CD1-CB 4.27Å; L272-V303 HydrophobicContact CD1-CG1 3.96Å; L299-V303 HydrophobicContact CD1-CG2 4.23Å; L299-V303 HydrophobicContact CG-CG2 4.33Å; L299-V303 VanDerWaalsContact O-CG2 3.31Å; L299-V303 WeakPolarHBondContact O-CG2 3.28Å; L299-V303 PolarHBondContact O-N 3.4Å; V303-S305 VanDerWaalsContact C-N 3.3Å; V303-S305 PolarHBondContact O-N 3.26Å; V303-Y306 WeakPolarHBondContact O-CB 3.37Å; V303-Y306 PolarHBondContact O-N 3.49Å; V303-C307 PolarHBondContact O-N 3.14Å; V303-C307 PolarHBondContact O-SG 3.48Å |
| 304 | L | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 175.8 | 178.9 | 57.6 | 0 | 0 | 0 | 111.6 | L272 L276 M293 L296 S300 Y301 D302 Y306 C307 I308 F337 I341 I347 | L272-L304 HydrophobicContact CB-CD1 4.5Å; L272-L304 HydrophobicContact CD1-CB 4Å; L272-L304 HydrophobicContact CD2-CD1 4.26Å; L276-L304 HydrophobicContact CD1-CD1 4.17Å; L276-L304 HydrophobicContact CD2-CD1 4.21Å; L276-L304 HydrophobicContact CG-CD1 4.35Å; M293-L304 HydrophobicContact CE-CD1 4.3Å; M293-L304 HydrophobicContact CE-CD2 4.21Å; M293-L304 HydrophobicContact SD-CD2 3.77Å; L296-L304 HydrophobicContact CD1-CD2 4.41Å; S300-L304 WeakPolarHBondContact O-CB 3.36Å; S300-L304 PolarHBondContact O-N 3.03Å; Y301-L304 WeakPolarHBondContact O-CB 3.45Å; Y301-L304 PolarHBondContact O-N 3.31Å; D302-L304 VanDerWaalsContact C-N 3.26Å; D302-L304 PolarHBondContact O-N 2.94Å; L304-Y306 VanDerWaalsContact C-N 3.32Å; L304-Y306 PolarHBondContact O-N 3.18Å; L304-C307 PolarHBondContact O-N 2.71Å; L304-I308 HydrophobicContact CD1-CD1 4.16Å; L304-I308 HydrophobicContact CD1-CG1 4.18Å; L304-I308 HydrophobicContact CG-CD1 4.01Å; L304-I308 HydrophobicContact CG-CG1 4.5Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.3Å; L304-I308 PolarHBondContact O-N 3.05Å; L304-F337 HydrophobicContact CD1-CE1 4.25Å; L304-F337 HydrophobicContact CD1-CZ 4.37Å; L304-F337 HydrophobicContact CD2-CZ 4.39Å; L304-I341 HydrophobicContact CD2-CD1 4.46Å; L304-I341 HydrophobicContact CD2-CG1 3.89Å; L304-I347 HydrophobicContact CD2-CD1 4.04Å |
| 305 | S | 96.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.6 | 79.4 | 0 | 0 | 0 | 0 | 111.7 | Y301 D302 V303 I308 L309 | Y301-S305 PolarHBondContact O-N 3.18Å; D302-S305 WeakPolarHBondContact O-CB 3.49Å; D302-S305 PolarHBondContact O-N 3.18Å; D302-S305 VanDerWaalsContact O-N 3.08Å; D302-S305 PolarHBondContact O-OG 3Å; V303-S305 VanDerWaalsContact C-N 3.3Å; V303-S305 PolarHBondContact O-N 3.26Å; S305-I308 PolarHBondContact O-N 3.47Å; S305-L309 PolarHBondContact O-N 3.15Å |
| 306 | Y | 96.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 172.4 | 164.2 | -100.2 | 0 | 0 | 0 | 112.7 | H219 Y222 N223 V269 D302 V303 L304 I308 L309 T310 | H219-Y306 HydrophobicContact CB-CD2 3.69Å; H219-Y306 HydrophobicContact CB-CE2 4.31Å; H219-Y306 AromaticContact CG-CD2 3.7Å; H219-Y306 AromaticContact ND1-CD2 3.91Å; H219-Y306 WeakPolarHBondContact O-CE2 3.5Å; Y222-Y306 HydrophobicContact CD2-CD1 4.28Å; Y222-Y306 AromaticContact CD2-CG 3.93Å; Y222-Y306 HydrophobicContact CD2-CG 3.93Å; Y222-Y306 HydrophobicContact CG-CD1 4.43Å; Y222-Y306 HydrophobicContact CG-CG 4.44Å; N223-Y306 WeakPolarHBondContact CA-OH 3.47Å; N223-Y306 HydrophobicContact CB-CE2 4.3Å; N223-Y306 WeakPolarHBondContact CB-OH 3.36Å; N223-Y306 PolarHBondContact OD1-OH 3.45Å; V269-Y306 HydrophobicContact CG1-CD1 4.5Å; V269-Y306 HydrophobicContact CG1-CE1 4.05Å; D302-Y306 PolarHBondContact O-N 3.48Å; V303-Y306 WeakPolarHBondContact O-CB 3.37Å; V303-Y306 PolarHBondContact O-N 3.49Å; L304-Y306 VanDerWaalsContact C-N 3.32Å; L304-Y306 PolarHBondContact O-N 3.18Å; Y306-I308 VanDerWaalsContact C-N 3.34Å; Y306-I308 PolarHBondContact O-N 3.28Å; Y306-L309 PolarHBondContact O-N 2.87Å; Y306-T310 WeakPolarHBondContact CE2-OG1 3.29Å; Y306-T310 PolarHBondContact O-N 2.99Å; Y306-T310 PolarHBondContact O-OG1 3.17Å |
| 307 | C | 97.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 179.5 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | L276 V303 L304 T310 Q311 | L276-C307 HydrophobicContact CD1-CB 3.58Å; V303-C307 PolarHBondContact O-N 3.14Å; V303-C307 PolarHBondContact O-SG 3.48Å; L304-C307 PolarHBondContact O-N 2.71Å; C307-T310 PolarHBondContact O-N 3.29Å; C307-Q311 WeakPolarHBondContact O-CG 3.33Å; C307-Q311 PolarHBondContact O-N 2.81Å |
| 308 | I | 97.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 174.6 | -69.4 | 165.9 | 0 | 0 | 0 | 110.3 | L276 L304 S305 Y306 T310 Q311 L312 F337 T338 I341 F342 | L276-I308 HydrophobicContact CD1-CG1 4Å; L276-I308 HydrophobicContact CD2-CG1 4.35Å; L304-I308 HydrophobicContact CD1-CD1 4.16Å; L304-I308 HydrophobicContact CD1-CG1 4.18Å; L304-I308 HydrophobicContact CG-CD1 4.01Å; L304-I308 HydrophobicContact CG-CG1 4.5Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.3Å; L304-I308 PolarHBondContact O-N 3.05Å; S305-I308 PolarHBondContact O-N 3.47Å; Y306-I308 VanDerWaalsContact C-N 3.34Å; Y306-I308 PolarHBondContact O-N 3.28Å; I308-T310 PolarHBondContact O-N 3.29Å; I308-Q311 PolarHBondContact O-N 2.93Å; I308-L312 HydrophobicContact CG2-CD1 3.88Å; I308-L312 HydrophobicContact CG2-CG 4.44Å; I308-L312 WeakPolarHBondContact O-CG 3.2Å; I308-L312 PolarHBondContact O-N 3.32Å; I308-F337 HydrophobicContact CD1-CE1 4.08Å; I308-F337 HydrophobicContact CG1-CE1 4.39Å; I308-T338 HydrophobicContact CD1-CG2 4.33Å; I308-T338 HydrophobicContact CG2-CG2 4.21Å; I308-I341 HydrophobicContact CD1-CG2 4.39Å; I308-F342 HydrophobicContact CD1-CE2 4.05Å |
| 309 | L | 96.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 33.3 Ų | 33.3 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.2 | -79.3 | 179.9 | 0 | 0 | 0 | 112.6 | S305 Y306 Q311 L312 S313 C351 L352 Y355 | S305-L309 PolarHBondContact O-N 3.15Å; Y306-L309 PolarHBondContact O-N 2.87Å; L309-Q311 PolarHBondContact O-N 3.49Å; L309-L312 PolarHBondContact O-N 2.99Å; L309-L312 VanDerWaalsContact O-N 3.16Å; L309-S313 WeakPolarHBondContact O-CB 3.15Å; L309-S313 PolarHBondContact O-N 3.14Å; L309-S313 PolarHBondContact O-OG 3.33Å; L309-C351 HydrophobicContact CD1-CB 3.71Å; L309-L352 HydrophobicContact CD2-CD1 3.87Å; L309-Y355 HydrophobicContact CD2-CD1 4.27Å; L309-Y355 HydrophobicContact CD2-CD2 4.02Å; L309-Y355 HydrophobicContact CD2-CG 3.67Å |
| 310 | T | 94.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 30% | 0.301 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | Y306 C307 I308 S313 N314 | Y306-T310 WeakPolarHBondContact CE2-OG1 3.29Å; Y306-T310 PolarHBondContact O-N 2.99Å; Y306-T310 PolarHBondContact O-OG1 3.17Å; C307-T310 PolarHBondContact O-N 3.29Å; I308-T310 PolarHBondContact O-N 3.29Å; T310-S313 PolarHBondContact O-OG 3.47Å; T310-N314 PolarHBondContact O-N 2.93Å |
| 311 | Q | 95.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.9 | -38.3 | 177.2 | -67.4 | -70.4 | -28.2 | 0 | 0 | 112.2 | D273 L276 N277 C307 I308 L309 L334 | D273-Q311 PolarHBondContact OD1-NE2 3.47Å; L276-Q311 HydrophobicContact CB-CG 4.46Å; L276-Q311 HydrophobicContact CD1-CG 4.24Å; N277-Q311 PolarHBondContact OD1-NE2 3.36Å; N277-Q311 PolarHBondContact OD1-OE1 2.95Å; C307-Q311 WeakPolarHBondContact O-CG 3.33Å; C307-Q311 PolarHBondContact O-N 2.81Å; I308-Q311 PolarHBondContact O-N 2.93Å; L309-Q311 PolarHBondContact O-N 3.49Å; Q311-L334 HydrophobicContact CB-CD2 3.87Å |
| 312 | L | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -40.7 | 175 | -71.9 | 169.3 | 0 | 0 | 0 | 112.2 | I308 L309 N314 R319 L331 L334 L352 Y355 I370 | I308-L312 HydrophobicContact CG2-CD1 3.88Å; I308-L312 HydrophobicContact CG2-CG 4.44Å; I308-L312 WeakPolarHBondContact O-CG 3.2Å; I308-L312 PolarHBondContact O-N 3.32Å; L309-L312 PolarHBondContact O-N 2.99Å; L309-L312 VanDerWaalsContact O-N 3.16Å; L312-N314 VanDerWaalsContact C-N 3.27Å; L312-N314 PolarHBondContact O-N 3.45Å; L312-R319 PolarHBondContact O-NH2 3.27Å; L312-L331 HydrophobicContact CD2-CD1 3.67Å; L312-L334 HydrophobicContact CD2-CD2 3.75Å; L312-L334 HydrophobicContact CD2-CG 4.46Å; L312-L334 HydrophobicContact CG-CD2 3.9Å; L312-L352 HydrophobicContact CD1-CD1 3.66Å; L312-Y355 HydrophobicContact CB-CE1 4.05Å; L312-Y355 HydrophobicContact CB-CE2 4.47Å; L312-Y355 HydrophobicContact CD1-CE1 4.34Å; L312-Y355 PolarHBondContact O-OH 3.17Å; L312-Y355 VanDerWaalsContact O-OH 3.13Å; L312-I370 HydrophobicContact CD1-CD1 4.37Å; L312-I370 HydrophobicContact CD1-CG1 4.04Å |
| 313 | S | 93 | Very high | 90.9 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 43% | 0.427 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -82 | -0.5 | -177.3 | 68.3 | 0 | 0 | 0 | 0 | 114 | L309 T310 P315 | L309-S313 WeakPolarHBondContact O-CB 3.15Å; L309-S313 PolarHBondContact O-N 3.14Å; L309-S313 PolarHBondContact O-OG 3.33Å; T310-S313 PolarHBondContact O-OG 3.47Å; S313-P315 VanDerWaalsContact O-CD 3.32Å; S313-P315 WeakPolarHBondContact O-CD 3.35Å |
| 314 | N | 92.5 | Very high | 89.7 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | trans | -66.9 | 116.4 | -176.9 | -172.8 | -29.7 | 0 | 0 | 0 | 111 | T310 L312 D316 K317 | T310-N314 PolarHBondContact O-N 2.93Å; L312-N314 VanDerWaalsContact C-N 3.27Å; L312-N314 PolarHBondContact O-N 3.45Å; N314-D316 VanDerWaalsContact C-N 3.31Å; N314-D316 PolarHBondContact O-N 3.29Å; N314-D316 WeakPolarHBondContact OD1-CB 3.03Å; N314-D316 PolarHBondContact OD1-N 3Å; N314-K317 HydrophobicContact CB-CD 4.33Å; N314-K317 HydrophobicContact CB-CG 4.25Å; N314-K317 PolarHBondContact O-N 2.9Å | ||
| 315 | P | 88 | Confident | 88.6 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -23.5 | -177.9 | 29.8 | -35.3 | 0 | 0 | 0 | 113.5 | S313 K317 | S313-P315 VanDerWaalsContact O-CD 3.32Å; S313-P315 WeakPolarHBondContact O-CD 3.35Å; P315-K317 PolarHBondContact O-N 3.32Å |
| 316 | D | 89.4 | Confident | 88 | Confident | 144 Ų | 144 | 56 Ų | 56 | 77% | 0.77 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -16.2 | -178.9 | -58.2 | -39.1 | 0 | 0 | 0 | 112.2 | N314 | N314-D316 VanDerWaalsContact C-N 3.31Å; N314-D316 PolarHBondContact O-N 3.29Å; N314-D316 WeakPolarHBondContact OD1-CB 3.03Å; N314-D316 PolarHBondContact OD1-N 3Å |
| 317 | K | 91.2 | Very high | 87.5 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -89.4 | 112.1 | -179.4 | -69.2 | -169.7 | 170.9 | -178.8 | 0 | 111.7 | N314 P315 R319 W330 | N314-K317 HydrophobicContact CB-CD 4.33Å; N314-K317 HydrophobicContact CB-CG 4.25Å; N314-K317 PolarHBondContact O-N 2.9Å; P315-K317 PolarHBondContact O-N 3.32Å; K317-R319 PolarHBondContact O-N 3.37Å; K317-W330 HydrophobicContact CB-CH2 3.98Å; K317-W330 HydrophobicContact CB-CZ2 3.48Å; K317-W330 VanDerWaalsContact CB-CZ2 3.48Å; K317-W330 HydrophobicContact CD-CD2 4.13Å; K317-W330 HydrophobicContact CD-CE3 4.07Å; K317-W330 HydrophobicContact CD-CH2 4.03Å; K317-W330 HydrophobicContact CD-CZ2 4.11Å; K317-W330 HydrophobicContact CD-CZ3 4.01Å; K317-W330 HydrophobicContact CG-CZ2 4.4Å |
| 318 | Q | 86.9 | Confident | 87.3 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | trans | -66.4 | 120.8 | 172.5 | -65.7 | -179.4 | -7.5 | 0 | 0 | 110.6 | S328 W330 | Q318-S328 WeakPolarHBondContact O-CB 3.43Å; Q318-S328 PolarHBondContact O-OG 3.1Å; Q318-W330 PolarHBondContact O-NE1 3.3Å | ||
| 319 | R | 88.1 | Confident | 87.1 | Confident | 46 Ų | 46 | 60.4 Ų | 60.4 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -81.4 | -31 | -179.8 | -64.5 | 173.3 | 172.1 | 69.9 | -2.6 | 113 | L312 K317 S328 W330 L331 Y355 N364 V366 D367 | L312-R319 PolarHBondContact O-NH2 3.27Å; K317-R319 PolarHBondContact O-N 3.37Å; R319-S328 WeakPolarHBondContact O-CB 3.35Å; R319-S328 PolarHBondContact O-N 3.1Å; R319-S328 PolarHBondContact O-OG 2.83Å; R319-W330 HydrophobicContact CG-CZ2 4.31Å; R319-L331 HydrophobicContact CB-CD2 4.17Å; R319-L331 HydrophobicContact CG-CD2 4.26Å; R319-Y355 PolarHBondContact NH2-OH 2.55Å; R319-N364 PolarHBondContact NE-ND2 2.8Å; R319-V366 HydrophobicContact CB-CB 4.48Å; R319-V366 HydrophobicContact CB-CG1 3.9Å; R319-D367 VanDerWaalsContact CD-OD1 3.22Å; R319-D367 WeakPolarHBondContact CD-OD1 3.31Å; R319-D367 IonicContact CZ-OD1 2.71Å; R319-D367 IonicContact CZ-OD2 3.01Å; R319-D367 IonicContact NE-OD1 2.85Å; R319-D367 PolarHBondContact NE-OD1 2.73Å; R319-D367 IonicContact NE-OD2 3.66Å; R319-D367 PolarHBondContact NE-OD2 3.09Å; R319-D367 IonicContact NH2-OD2 3.34Å; R319-D367 PolarHBondContact NH2-OD2 2.96Å |
| 320 | L | 85.9 | Confident | 87 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -110.6 | 140 | 173.7 | -58.7 | 179.2 | 0 | 0 | 0 | 109.3 | S326 I327 V366 M448 | L320-S326 CarbonylContact C-O 3.53Å; L320-S326 WeakPolarHBondContact CA-O 3.42Å; L320-I327 HydrophobicContact CD2-CG1 4.3Å; L320-V366 HydrophobicContact CD1-CG2 4.21Å; L320-V366 HydrophobicContact CD2-CG1 3.99Å; L320-V366 HydrophobicContact CD2-CG2 4.01Å; L320-V366 HydrophobicContact CG-CG2 4.1Å; L320-M448 HydrophobicContact CD1-CE 4.24Å; L320-M448 HydrophobicContact CD1-SD 4.09Å |
| 321 | K | 82.9 | Confident | 87.1 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | trans | -73.9 | 139.1 | 175.3 | -61.7 | -174.2 | -159.8 | 140.4 | 0 | 110.3 | T323 A325 S326 | K321-T323 PolarHBondContact O-N 2.96Å; K321-A325 WeakPolarHBondContact O-CA 3.42Å; K321-A325 PolarHBondContact O-N 3.34Å; K321-S326 WeakPolarHBondContact CD-OG 3.44Å; K321-S326 WeakPolarHBondContact CE-OG 3.44Å; K321-S326 PolarHBondContact N-O 3.21Å; K321-S326 PolarHBondContact NZ-OG 2.86Å | ||
| 322 | L | 74.6 | Confident | 87.1 | Confident | 149 Ų | 149 | 62.1 Ų | 62.1 | 78% | 0.78 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.7 | 178 | -60.7 | 175.1 | 0 | 0 | 0 | 113.9 | ||
| 323 | T | 71.4 | Confident | 87.2 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 78% | 0.779 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -43.9 | -172.1 | 48.7 | 0 | 0 | 0 | 0 | 114 | K321 | K321-T323 PolarHBondContact O-N 2.96Š|
| 324 | D | 71.5 | Confident | 87.5 | Confident | 79 Ų | 79 | 59.7 Ų | 59.7 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | 7 | -171 | 67 | -14.9 | 0 | 0 | 0 | 112.6 | S326 | D324-S326 PolarHBondContact O-N 3.45Å; D324-S326 VanDerWaalsContact OD1-CB 3.24Å; D324-S326 WeakPolarHBondContact OD1-CB 3.25Å; D324-S326 PolarHBondContact OD1-N 3.38Å; D324-S326 PolarHBondContact OD1-OG 2.87Å; D324-S326 WeakPolarHBondContact OD2-CB 3.43Å; D324-S326 PolarHBondContact OD2-OG 3.45Å; D324-S326 VanDerWaalsContact OD2-OG 3.08Å |
| 325 | A | 76.2 | Confident | 87.7 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | trans | 49.6 | 28 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | K321 V452 | K321-A325 WeakPolarHBondContact O-CA 3.42Å; K321-A325 PolarHBondContact O-N 3.34Å; A325-V452 HydrophobicContact CB-CB 4.22Å; A325-V452 HydrophobicContact CB-CG1 3.82Å; A325-V452 HydrophobicContact CB-CG2 3.32Å | ||
| 326 | S | 82.5 | Confident | 88.1 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 156.5 | 169.3 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | L320 K321 D324 S328 | L320-S326 CarbonylContact C-O 3.53Å; L320-S326 WeakPolarHBondContact CA-O 3.42Å; K321-S326 WeakPolarHBondContact CD-OG 3.44Å; K321-S326 WeakPolarHBondContact CE-OG 3.44Å; K321-S326 PolarHBondContact N-O 3.21Å; K321-S326 PolarHBondContact NZ-OG 2.86Å; D324-S326 PolarHBondContact O-N 3.45Å; D324-S326 VanDerWaalsContact OD1-CB 3.24Å; D324-S326 WeakPolarHBondContact OD1-CB 3.25Å; D324-S326 PolarHBondContact OD1-N 3.38Å; D324-S326 PolarHBondContact OD1-OG 2.87Å; D324-S326 WeakPolarHBondContact OD2-CB 3.43Å; D324-S326 PolarHBondContact OD2-OG 3.45Å; D324-S326 VanDerWaalsContact OD2-OG 3.08Å; S326-S328 PolarHBondContact O-N 3.48Å |
| 327 | I | 87.8 | Confident | 88.5 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 135.3 | 174.8 | -56.6 | 167.5 | 0 | 0 | 0 | 109.4 | L320 L331 Q332 L369 M456 | L320-I327 HydrophobicContact CD2-CG1 4.3Å; I327-L331 HydrophobicContact CG2-CB 4.29Å; I327-L331 HydrophobicContact CG2-CD2 3.93Å; I327-L331 HydrophobicContact CG2-CG 4.31Å; I327-Q332 HydrophobicContact CB-CG 4.39Å; I327-Q332 HydrophobicContact CG2-CG 4Å; I327-L369 HydrophobicContact CD1-CD2 4.4Å; I327-L369 HydrophobicContact CG2-CD2 4.01Å; I327-M456 HydrophobicContact CD1-CE 4.5Å; I327-M456 HydrophobicContact CG1-CE 4.39Å |
| 328 | S | 92.3 | Very high | 88.9 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 139.8 | 178.2 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | Q318 R319 S326 W330 L331 Q332 | Q318-S328 WeakPolarHBondContact O-CB 3.43Å; Q318-S328 PolarHBondContact O-OG 3.1Å; R319-S328 WeakPolarHBondContact O-CB 3.35Å; R319-S328 PolarHBondContact O-N 3.1Å; R319-S328 PolarHBondContact O-OG 2.83Å; S326-S328 PolarHBondContact O-N 3.48Å; S328-W330 VanDerWaalsContact C-N 3.3Å; S328-W330 VanDerWaalsContact CB-CD1 3.41Å; S328-W330 VanDerWaalsContact CB-NE1 3.31Å; S328-W330 PolarHBondContact O-N 3.03Å; S328-L331 PolarHBondContact O-N 2.9Å; S328-L331 VanDerWaalsContact O-N 3.16Å; S328-Q332 PolarHBondContact O-N 3.28Å |
| 329 | S | 92.9 | Very high | 89.3 | Confident | 78 Ų | 78 | 39.8 Ų | 39.8 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.4 | -38.3 | -177.9 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | L331 Q332 T333 | S329-L331 VanDerWaalsContact C-N 3.25Å; S329-L331 PolarHBondContact O-N 3.32Å; S329-Q332 PolarHBondContact O-N 3.05Å; S329-T333 PolarHBondContact O-N 3.45Å; S329-T333 PolarHBondContact O-OG1 2.98Å; S329-T333 VanDerWaalsContact O-OG1 3.07Å |
| 330 | W | 95.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -39.8 | 177.7 | 74.4 | -99.5 | 0 | 0 | 0 | 111.9 | Q280 K317 Q318 R319 S328 T333 L334 | Q280-W330 HydrophobicContact CB-CB 4.17Å; Q280-W330 WeakPolarHBondContact O-CA 3.31Å; K317-W330 HydrophobicContact CB-CH2 3.98Å; K317-W330 HydrophobicContact CB-CZ2 3.48Å; K317-W330 VanDerWaalsContact CB-CZ2 3.48Å; K317-W330 HydrophobicContact CD-CD2 4.13Å; K317-W330 HydrophobicContact CD-CE3 4.07Å; K317-W330 HydrophobicContact CD-CH2 4.03Å; K317-W330 HydrophobicContact CD-CZ2 4.11Å; K317-W330 HydrophobicContact CD-CZ3 4.01Å; K317-W330 HydrophobicContact CG-CZ2 4.4Å; Q318-W330 PolarHBondContact O-NE1 3.3Å; R319-W330 HydrophobicContact CG-CZ2 4.31Å; S328-W330 VanDerWaalsContact C-N 3.3Å; S328-W330 VanDerWaalsContact CB-CD1 3.41Å; S328-W330 VanDerWaalsContact CB-NE1 3.31Å; S328-W330 PolarHBondContact O-N 3.03Å; W330-T333 PolarHBondContact O-N 2.87Å; W330-L334 HydrophobicContact CE3-CD2 4.35Å; W330-L334 HydrophobicContact CZ3-CD2 3.91Å; W330-L334 VanDerWaalsContact O-CB 3.31Å; W330-L334 WeakPolarHBondContact O-CB 3.26Å; W330-L334 PolarHBondContact O-N 2.95Å |
| 331 | L | 95.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.3 | -45.3 | -178.8 | -179.9 | 58.3 | 0 | 0 | 0 | 110.1 | L312 R319 I327 S328 S329 T333 L334 C335 V366 L369 | L312-L331 HydrophobicContact CD2-CD1 3.67Å; R319-L331 HydrophobicContact CB-CD2 4.17Å; R319-L331 HydrophobicContact CG-CD2 4.26Å; I327-L331 HydrophobicContact CG2-CB 4.29Å; I327-L331 HydrophobicContact CG2-CD2 3.93Å; I327-L331 HydrophobicContact CG2-CG 4.31Å; S328-L331 PolarHBondContact O-N 2.9Å; S328-L331 VanDerWaalsContact O-N 3.16Å; S329-L331 VanDerWaalsContact C-N 3.25Å; S329-L331 PolarHBondContact O-N 3.32Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 3.41Å; L331-L334 PolarHBondContact O-N 3Å; L331-C335 WeakPolarHBondContact O-CB 3.18Å; L331-C335 PolarHBondContact O-N 2.72Å; L331-C335 PolarHBondContact O-SG 2.95Å; L331-V366 HydrophobicContact CD2-CG1 4.05Å; L331-L369 HydrophobicContact CG-CD2 4.18Å |
| 332 | Q | 95.5 | Very high | 90.9 | Very high | 79 Ų | 79 | 33.4 Ų | 33.4 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -54.6 | -47.5 | 173.3 | -70.4 | -70.9 | -24.3 | 0 | 0 | 111.8 | I327 S328 S329 C335 S336 L369 | I327-Q332 HydrophobicContact CB-CG 4.39Å; I327-Q332 HydrophobicContact CG2-CG 4Å; S328-Q332 PolarHBondContact O-N 3.28Å; S329-Q332 PolarHBondContact O-N 3.05Å; Q332-C335 PolarHBondContact O-N 2.93Å; Q332-S336 WeakPolarHBondContact O-CB 3.37Å; Q332-S336 PolarHBondContact O-N 3.22Å; Q332-L369 HydrophobicContact CG-CD2 4.26Å |
| 333 | T | 97.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 179.3 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | V279 E283 V286 S329 W330 L331 S336 F337 | V279-T333 HydrophobicContact CG1-CG2 4.17Å; V279-T333 WeakPolarHBondContact O-CG2 3.44Å; E283-T333 HydrophobicContact CB-CG2 4.19Å; E283-T333 HydrophobicContact CG-CG2 4.49Å; V286-T333 HydrophobicContact CG2-CG2 3.7Å; S329-T333 PolarHBondContact O-N 3.45Å; S329-T333 PolarHBondContact O-OG1 2.98Å; S329-T333 VanDerWaalsContact O-OG1 3.07Å; W330-T333 PolarHBondContact O-N 2.87Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 3.41Å; T333-S336 PolarHBondContact O-N 3.37Å; T333-F337 WeakPolarHBondContact O-CB 3.37Å; T333-F337 PolarHBondContact O-N 2.88Å |
| 334 | L | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 174.9 | -176.3 | 60.2 | 0 | 0 | 0 | 111.6 | L276 Q280 Q311 L312 W330 L331 F337 T338 | L276-L334 HydrophobicContact CD2-CD1 4.28Å; Q280-L334 HydrophobicContact CG-CB 4.1Å; Q280-L334 HydrophobicContact CG-CD1 4.38Å; Q311-L334 HydrophobicContact CB-CD2 3.87Å; L312-L334 HydrophobicContact CD2-CD2 3.75Å; L312-L334 HydrophobicContact CD2-CG 4.46Å; L312-L334 HydrophobicContact CG-CD2 3.9Å; W330-L334 HydrophobicContact CE3-CD2 4.35Å; W330-L334 HydrophobicContact CZ3-CD2 3.91Å; W330-L334 VanDerWaalsContact O-CB 3.31Å; W330-L334 WeakPolarHBondContact O-CB 3.26Å; W330-L334 PolarHBondContact O-N 2.95Å; L331-L334 PolarHBondContact O-N 3Å; L334-F337 PolarHBondContact O-N 3.44Å; L334-T338 WeakPolarHBondContact O-CB 3.05Å; L334-T338 PolarHBondContact O-N 2.85Å; L334-T338 PolarHBondContact O-OG1 3.13Å |
| 335 | C | 97.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 175.4 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | L331 Q332 F337 T338 G339 L369 I370 E373 | L331-C335 WeakPolarHBondContact O-CB 3.18Å; L331-C335 PolarHBondContact O-N 2.72Å; L331-C335 PolarHBondContact O-SG 2.95Å; Q332-C335 PolarHBondContact O-N 2.93Å; C335-F337 PolarHBondContact O-N 2.87Å; C335-T338 PolarHBondContact O-N 3.33Å; C335-G339 PolarHBondContact O-N 3.47Å; C335-L369 HydrophobicContact CB-CD2 4.22Å; C335-L369 HydrophobicContact CB-CG 4.12Å; C335-I370 HydrophobicContact CB-CD1 4Å; C335-E373 HydrophobicContact CB-CB 4.09Å; C335-E373 HydrophobicContact CB-CG 4.31Å; C335-E373 VanDerWaalsContact O-CG 3.24Å; C335-E373 WeakPolarHBondContact O-CG 3.44Å |
| 336 | S | 97 | Very high | 94.9 | Very high | 36 Ų | 36 | 33.7 Ų | 33.7 | 25% | 0.252 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | Q332 T333 T338 G339 S340 | Q332-S336 WeakPolarHBondContact O-CB 3.37Å; Q332-S336 PolarHBondContact O-N 3.22Å; T333-S336 PolarHBondContact O-N 3.37Å; S336-T338 VanDerWaalsContact C-N 3.34Å; S336-T338 PolarHBondContact O-N 3.16Å; S336-G339 PolarHBondContact O-N 3.27Å; S336-S340 WeakPolarHBondContact O-CB 3.46Å; S336-S340 PolarHBondContact O-N 3.49Å |
| 337 | F | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 173.4 | 171.2 | -95 | 0 | 0 | 0 | 112 | L276 V279 V286 V289 V290 M293 L304 I308 T333 L334 C335 S340 I341 | L276-F337 HydrophobicContact CD2-CD1 3.7Å; L276-F337 HydrophobicContact CD2-CE1 3.34Å; L276-F337 HydrophobicContact CD2-CZ 3.94Å; V279-F337 HydrophobicContact CG1-CB 3.86Å; V279-F337 HydrophobicContact CG1-CD2 3.98Å; V279-F337 HydrophobicContact CG1-CG 3.99Å; V286-F337 HydrophobicContact CG1-CB 4.18Å; V286-F337 HydrophobicContact CG1-CD2 4.48Å; V286-F337 HydrophobicContact CG2-CB 4.24Å; V289-F337 HydrophobicContact CG1-CE2 4.02Å; V290-F337 HydrophobicContact CG2-CD2 3.8Å; V290-F337 HydrophobicContact CG2-CE2 3.74Å; M293-F337 HydrophobicContact CE-CE2 4.1Å; M293-F337 HydrophobicContact CE-CZ 3.68Å; M293-F337 HydrophobicContact SD-CE2 3.99Å; M293-F337 HydrophobicContact SD-CZ 3.67Å; L304-F337 HydrophobicContact CD1-CE1 4.25Å; L304-F337 HydrophobicContact CD1-CZ 4.37Å; L304-F337 HydrophobicContact CD2-CZ 4.39Å; I308-F337 HydrophobicContact CD1-CE1 4.08Å; I308-F337 HydrophobicContact CG1-CE1 4.39Å; T333-F337 WeakPolarHBondContact O-CB 3.37Å; T333-F337 PolarHBondContact O-N 2.88Å; L334-F337 PolarHBondContact O-N 3.44Å; C335-F337 PolarHBondContact O-N 2.87Å; F337-S340 PolarHBondContact O-N 2.95Å; F337-I341 HydrophobicContact CD1-CG2 4.49Å; F337-I341 HydrophobicContact CE1-CB 4.43Å; F337-I341 HydrophobicContact CE1-CG2 4.03Å; F337-I341 HydrophobicContact CZ-CB 4.21Å; F337-I341 HydrophobicContact CZ-CG1 4.41Å; F337-I341 HydrophobicContact CZ-CG2 4.3Å; F337-I341 WeakPolarHBondContact O-CG2 3.48Å; F337-I341 PolarHBondContact O-N 3.5Å |
| 338 | T | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -49.3 | -179.4 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | I308 L334 C335 S336 S340 I341 F342 L352 I370 V374 | I308-T338 HydrophobicContact CD1-CG2 4.33Å; I308-T338 HydrophobicContact CG2-CG2 4.21Å; L334-T338 WeakPolarHBondContact O-CB 3.05Å; L334-T338 PolarHBondContact O-N 2.85Å; L334-T338 PolarHBondContact O-OG1 3.13Å; C335-T338 PolarHBondContact O-N 3.33Å; S336-T338 VanDerWaalsContact C-N 3.34Å; S336-T338 PolarHBondContact O-N 3.16Å; T338-S340 VanDerWaalsContact C-N 3.32Å; T338-S340 PolarHBondContact O-N 3.29Å; T338-I341 WeakPolarHBondContact O-CG2 3.11Å; T338-I341 PolarHBondContact O-N 3.26Å; T338-F342 HydrophobicContact CG2-CD2 3.45Å; T338-F342 VanDerWaalsContact CG2-CD2 3.45Å; T338-F342 HydrophobicContact CG2-CE2 3.49Å; T338-F342 VanDerWaalsContact CG2-CE2 3.49Å; T338-F342 WeakPolarHBondContact O-CB 3.16Å; T338-F342 WeakPolarHBondContact O-CD2 3.49Å; T338-F342 PolarHBondContact O-N 2.99Å; T338-L352 HydrophobicContact CG2-CD2 3.85Å; T338-I370 HydrophobicContact CG2-CD1 3.74Å; T338-V374 HydrophobicContact CG2-CG2 4.15Å |
| 339 | G | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.1 | -46.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C335 S336 K343 S377 | C335-G339 PolarHBondContact O-N 3.47Å; S336-G339 PolarHBondContact O-N 3.27Å; G339-K343 VanDerWaalsContact O-CB 3.27Å; G339-K343 WeakPolarHBondContact O-CB 3.5Å; G339-K343 PolarHBondContact O-N 3.32Å; G339-S377 VanDerWaalsContact CA-CB 3.46Å; G339-S377 VanDerWaalsContact O-CB 3.25Å; G339-S377 WeakPolarHBondContact O-CB 3.28Å |
| 340 | S | 96.5 | Very high | 95.4 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | -178.5 | -170.1 | 0 | 0 | 0 | 0 | 113 | S336 F337 T338 K344 | S336-S340 WeakPolarHBondContact O-CB 3.46Å; S336-S340 PolarHBondContact O-N 3.49Å; F337-S340 PolarHBondContact O-N 2.95Å; T338-S340 VanDerWaalsContact C-N 3.32Å; T338-S340 PolarHBondContact O-N 3.29Å; S340-K344 PolarHBondContact O-N 3.05Å |
| 341 | I | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.3 | -43.6 | -178.8 | -163 | 76.3 | 0 | 0 | 0 | 112 | V290 M293 L304 I308 F337 T338 K343 K344 Y345 I347 | V290-I341 HydrophobicContact CB-CD1 4.36Å; V290-I341 HydrophobicContact CG1-CD1 4.1Å; V290-I341 HydrophobicContact CG2-CB 4.29Å; V290-I341 HydrophobicContact CG2-CD1 4.13Å; M293-I341 HydrophobicContact CB-CD1 3.92Å; M293-I341 HydrophobicContact CG-CD1 4.29Å; M293-I341 HydrophobicContact SD-CD1 3.43Å; M293-I341 WeakPolarHBondContact SD-CD1 3.29Å; M293-I341 HydrophobicContact SD-CG1 4.21Å; L304-I341 HydrophobicContact CD2-CD1 4.46Å; L304-I341 HydrophobicContact CD2-CG1 3.89Å; I308-I341 HydrophobicContact CD1-CG2 4.39Å; F337-I341 HydrophobicContact CD1-CG2 4.49Å; F337-I341 HydrophobicContact CE1-CB 4.43Å; F337-I341 HydrophobicContact CE1-CG2 4.03Å; F337-I341 HydrophobicContact CZ-CB 4.21Å; F337-I341 HydrophobicContact CZ-CG1 4.41Å; F337-I341 HydrophobicContact CZ-CG2 4.3Å; F337-I341 WeakPolarHBondContact O-CG2 3.48Å; F337-I341 PolarHBondContact O-N 3.5Å; T338-I341 WeakPolarHBondContact O-CG2 3.11Å; T338-I341 PolarHBondContact O-N 3.26Å; I341-K343 VanDerWaalsContact C-N 3.33Å; I341-K343 PolarHBondContact O-N 3.48Å; I341-K344 PolarHBondContact O-N 3.33Å; I341-K344 VanDerWaalsContact O-N 3.15Å; I341-Y345 HydrophobicContact CD1-CD2 3.41Å; I341-Y345 VanDerWaalsContact CD1-CD2 3.41Å; I341-Y345 HydrophobicContact CD1-CE2 3.57Å; I341-Y345 HydrophobicContact CG1-CD2 4.04Å; I341-Y345 PolarHBondContact O-N 2.97Å; I341-I347 HydrophobicContact CB-CD1 4.31Å; I341-I347 HydrophobicContact CG1-CD1 3.55Å; I341-I347 HydrophobicContact CG2-CD1 3.93Å |
| 342 | F | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.2 | -34.2 | 178.8 | -85 | -86.6 | 0 | 0 | 0 | 112.2 | I308 T338 K344 I347 D348 I349 L352 M378 R416 | I308-F342 HydrophobicContact CD1-CE2 4.05Å; T338-F342 HydrophobicContact CG2-CD2 3.45Å; T338-F342 VanDerWaalsContact CG2-CD2 3.45Å; T338-F342 HydrophobicContact CG2-CE2 3.49Å; T338-F342 VanDerWaalsContact CG2-CE2 3.49Å; T338-F342 WeakPolarHBondContact O-CB 3.16Å; T338-F342 WeakPolarHBondContact O-CD2 3.49Å; T338-F342 PolarHBondContact O-N 2.99Å; F342-K344 VanDerWaalsContact C-N 3.33Å; F342-K344 PolarHBondContact O-N 3.23Å; F342-I347 HydrophobicContact CD1-CB 3.78Å; F342-I347 HydrophobicContact CD1-CG2 4.15Å; F342-I347 HydrophobicContact CE1-CB 3.55Å; F342-I347 HydrophobicContact CE1-CG2 3.41Å; F342-I347 VanDerWaalsContact CE1-CG2 3.41Å; F342-I347 HydrophobicContact CE2-CG2 4.21Å; F342-I347 HydrophobicContact CG-CB 4.5Å; F342-I347 HydrophobicContact CZ-CB 4.05Å; F342-I347 HydrophobicContact CZ-CG2 3.47Å; F342-I347 VanDerWaalsContact CZ-CG2 3.47Å; F342-D348 WeakPolarHBondContact CE1-O 3.3Å; F342-I349 HydrophobicContact CD1-CB 4.32Å; F342-I349 HydrophobicContact CD1-CD1 4.14Å; F342-I349 HydrophobicContact CD1-CG1 3.21Å; F342-I349 HydrophobicContact CE1-CB 4.03Å; F342-I349 HydrophobicContact CE1-CG1 3.35Å; F342-I349 HydrophobicContact CG-CG1 4.33Å; F342-L352 HydrophobicContact CE2-CD2 4.29Å; F342-L352 HydrophobicContact CZ-CD2 4.39Å; F342-M378 HydrophobicContact CB-CG 4.43Å; F342-M378 HydrophobicContact CB-SD 4.01Å; F342-R416 PolarHBondContact O-NH1 3.49Å; F342-R416 PolarHBondContact O-NH2 3.2Å |
| 343 | K | 95.5 | Very high | 95.3 | Very high | 97 Ų | 97 | 25.9 Ų | 25.9 | 42% | 0.422 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 171.1 | -178.4 | -171.9 | -166.4 | 155.3 | 0 | 111.8 | G339 I341 S377 R416 | G339-K343 VanDerWaalsContact O-CB 3.27Å; G339-K343 WeakPolarHBondContact O-CB 3.5Å; G339-K343 PolarHBondContact O-N 3.32Å; I341-K343 VanDerWaalsContact C-N 3.33Å; I341-K343 PolarHBondContact O-N 3.48Å; K343-S377 WeakPolarHBondContact CD-O 3.24Å; K343-S377 VanDerWaalsContact CE-O 3.27Å; K343-S377 WeakPolarHBondContact CE-O 3.23Å; K343-S377 WeakPolarHBondContact CG-O 3.29Å; K343-S377 PolarHBondContact NZ-O 3.42Å; K343-R416 PolarHBondContact O-NH2 3.35Å |
| 344 | K | 95.2 | Very high | 95 | Very high | 85 Ų | 85 | 29.1 Ų | 29.1 | 37% | 0.37 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -86.2 | -42.8 | -170 | -167.8 | 174.1 | -178.8 | -164.7 | 0 | 114.2 | V290 E291 S340 I341 F342 | V290-K344 HydrophobicContact CG1-CB 4.41Å; V290-K344 HydrophobicContact CG1-CD 3.85Å; E291-K344 IonicContact OE1-NZ 4Å; E291-K344 IonicContact OE2-NZ 3.47Å; E291-K344 PolarHBondContact OE2-NZ 2.94Å; S340-K344 PolarHBondContact O-N 3.05Å; I341-K344 PolarHBondContact O-N 3.33Å; I341-K344 VanDerWaalsContact O-N 3.15Å; F342-K344 VanDerWaalsContact C-N 3.33Å; F342-K344 PolarHBondContact O-N 3.23Å |
| 345 | Y | 95.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 30.2 Ų | 30.2 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -120.8 | 157 | -174.7 | -51.9 | -76.5 | 0 | 0 | 0 | 112.1 | V290 M293 R294 Y301 I341 I347 R416 | V290-Y345 HydrophobicContact CG1-CE2 4.3Å; V290-Y345 VanDerWaalsContact O-CE2 3.24Å; V290-Y345 WeakPolarHBondContact O-CE2 3.33Å; V290-Y345 PolarHBondContact O-OH 3.35Å; M293-Y345 HydrophobicContact CB-CE2 4.2Å; R294-Y345 WeakPolarHBondContact CA-OH 3.3Å; R294-Y345 HydrophobicContact CB-CE1 4.12Å; R294-Y345 WeakPolarHBondContact CB-OH 3.47Å; R294-Y345 PolarHBondContact N-OH 2.95Å; Y301-Y345 HydrophobicContact CE1-CD1 4.27Å; Y301-Y345 AromaticContact CE1-CD2 3.9Å; Y301-Y345 HydrophobicContact CE1-CD2 3.9Å; Y301-Y345 AromaticContact CE1-CG 3.66Å; Y301-Y345 HydrophobicContact CE1-CG 3.66Å; Y301-Y345 AromaticContact CZ-CD1 3.88Å; Y301-Y345 AromaticContact CZ-CG 3.75Å; Y301-Y345 WeakPolarHBondContact OH-CD1 3.42Å; Y301-Y345 WeakPolarHBondContact OH-CE1 3.08Å; I341-Y345 HydrophobicContact CD1-CD2 3.41Å; I341-Y345 VanDerWaalsContact CD1-CD2 3.41Å; I341-Y345 HydrophobicContact CD1-CE2 3.57Å; I341-Y345 HydrophobicContact CG1-CD2 4.04Å; I341-Y345 PolarHBondContact O-N 2.97Å; Y345-I347 PolarHBondContact O-N 3.41Å; Y345-R416 VanDerWaalsContact C-NH1 3.34Å; Y345-R416 PolarHBondContact O-NH1 3.29Å |
| 346 | Y | 91.7 | Very high | 94.8 | Very high | 172 Ų | 172 | 30.2 Ų | 30.2 | 68% | 0.675 | 14% | 0.139 | S | C | * | . | trans | -76.7 | 101.4 | 177.6 | -165.2 | -77.6 | 0 | 0 | 0 | 110 | R416 | Y346-R416 HydrophobicContact CD2-CG 4.2Å; Y346-R416 HydrophobicContact CE2-CG 4.07Å | ||
| 347 | I | 94.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.036 | 13% | 0.13 | C | C | . | . | trans | -124 | 142 | 174.1 | -58.8 | 168.3 | 0 | 0 | 0 | 106.4 | Y301 L304 I341 F342 Y345 I349 | Y301-I347 HydrophobicContact CD1-CD1 3.99Å; Y301-I347 HydrophobicContact CD1-CG1 3.77Å; Y301-I347 HydrophobicContact CG-CG1 4.23Å; L304-I347 HydrophobicContact CD2-CD1 4.04Å; I341-I347 HydrophobicContact CB-CD1 4.31Å; I341-I347 HydrophobicContact CG1-CD1 3.55Å; I341-I347 HydrophobicContact CG2-CD1 3.93Å; F342-I347 HydrophobicContact CD1-CB 3.78Å; F342-I347 HydrophobicContact CD1-CG2 4.15Å; F342-I347 HydrophobicContact CE1-CB 3.55Å; F342-I347 HydrophobicContact CE1-CG2 3.41Å; F342-I347 VanDerWaalsContact CE1-CG2 3.41Å; F342-I347 HydrophobicContact CE2-CG2 4.21Å; F342-I347 HydrophobicContact CG-CB 4.5Å; F342-I347 HydrophobicContact CZ-CB 4.05Å; F342-I347 HydrophobicContact CZ-CG2 3.47Å; F342-I347 VanDerWaalsContact CZ-CG2 3.47Å; Y345-I347 PolarHBondContact O-N 3.41Å; I347-I349 PolarHBondContact O-N 3.34Å | ||
| 348 | D | 88.6 | Confident | 94.3 | Very high | 45 Ų | 45 | 33.4 Ų | 33.4 | 24% | 0.241 | 15% | 0.151 | C | C | . | . | trans | -66.4 | 118.5 | 175.9 | -170.9 | -0.3 | 0 | 0 | 0 | 110.7 | R218 F342 E350 | R218-D348 IonicContact NH2-OD2 3.15Å; F342-D348 WeakPolarHBondContact CE1-O 3.3Å; D348-E350 VanDerWaalsContact OD1-CB 3.23Å; D348-E350 WeakPolarHBondContact OD1-CB 3.25Å; D348-E350 PolarHBondContact OD1-N 2.99Å | ||
| 349 | I | 92.5 | Very high | 94 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | -91.5 | -16.8 | -176.5 | -58.2 | 153 | 0 | 0 | 0 | 110.6 | F342 I347 C351 L352 L353 M378 R416 L417 A420 | F342-I349 HydrophobicContact CD1-CB 4.32Å; F342-I349 HydrophobicContact CD1-CD1 4.14Å; F342-I349 HydrophobicContact CD1-CG1 3.21Å; F342-I349 HydrophobicContact CE1-CB 4.03Å; F342-I349 HydrophobicContact CE1-CG1 3.35Å; F342-I349 HydrophobicContact CG-CG1 4.33Å; I347-I349 PolarHBondContact O-N 3.34Å; I349-C351 VanDerWaalsContact C-N 3.34Å; I349-C351 PolarHBondContact O-N 2.82Å; I349-L352 WeakPolarHBondContact O-CB 3.31Å; I349-L352 PolarHBondContact O-N 3.21Å; I349-L353 HydrophobicContact CG2-CD1 3.99Å; I349-L353 HydrophobicContact CG2-CD2 4.37Å; I349-L353 HydrophobicContact CG2-CG 3.87Å; I349-L353 PolarHBondContact O-N 3.49Å; I349-M378 HydrophobicContact CD1-CE 3.42Å; I349-M378 VanDerWaalsContact CD1-CE 3.42Å; I349-M378 HydrophobicContact CD1-SD 3.66Å; I349-M378 HydrophobicContact CG1-SD 4.43Å; I349-R416 HydrophobicContact CD1-CB 4.48Å; I349-L417 HydrophobicContact CG2-CD1 4.25Å; I349-A420 HydrophobicContact CB-CB 4.05Å | ||
| 350 | E | 91.6 | Very high | 93.7 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | -170.3 | -166 | -165 | 133.5 | 0 | 0 | 111.8 | D348 L352 L353 Q354 Q423 K424 | D348-E350 VanDerWaalsContact OD1-CB 3.23Å; D348-E350 WeakPolarHBondContact OD1-CB 3.25Å; D348-E350 PolarHBondContact OD1-N 2.99Å; E350-L352 VanDerWaalsContact C-N 3.26Å; E350-L352 PolarHBondContact O-N 2.6Å; E350-L353 PolarHBondContact O-N 3.48Å; E350-Q354 WeakPolarHBondContact O-CB 3.42Å; E350-Q354 PolarHBondContact O-N 3.33Å; E350-Q423 PolarHBondContact OE2-OE1 3.1Å; E350-K424 WeakPolarHBondContact OE1-CD 3.44Å; E350-K424 WeakPolarHBondContact OE1-CE 3.45Å; E350-K424 IonicContact OE1-NZ 2.78Å; E350-K424 PolarHBondContact OE1-NZ 2.94Å |
| 351 | C | 92.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 177.5 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | Y215 L309 I349 Y355 | Y215-C351 HydrophobicContact CD1-CB 4.4Å; Y215-C351 HydrophobicContact CD2-CB 3.4Å; Y215-C351 HydrophobicContact CE1-CB 4.38Å; Y215-C351 HydrophobicContact CE2-CB 3.38Å; Y215-C351 HydrophobicContact CG-CB 3.96Å; L309-C351 HydrophobicContact CD1-CB 3.71Å; I349-C351 VanDerWaalsContact C-N 3.34Å; I349-C351 PolarHBondContact O-N 2.82Å; C351-Y355 WeakPolarHBondContact O-CB 3.32Å; C351-Y355 PolarHBondContact O-N 2.91Å |
| 352 | L | 95.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.4 | -41 | 177.5 | -169.4 | 67.3 | 0 | 0 | 0 | 111.9 | L309 L312 T338 F342 I349 E350 Y355 V356 I370 V374 | L309-L352 HydrophobicContact CD2-CD1 3.87Å; L312-L352 HydrophobicContact CD1-CD1 3.66Å; T338-L352 HydrophobicContact CG2-CD2 3.85Å; F342-L352 HydrophobicContact CE2-CD2 4.29Å; F342-L352 HydrophobicContact CZ-CD2 4.39Å; I349-L352 WeakPolarHBondContact O-CB 3.31Å; I349-L352 PolarHBondContact O-N 3.21Å; E350-L352 VanDerWaalsContact C-N 3.26Å; E350-L352 PolarHBondContact O-N 2.6Å; L352-Y355 WeakPolarHBondContact O-CB 3.42Å; L352-Y355 PolarHBondContact O-N 3.32Å; L352-V356 WeakPolarHBondContact O-CG2 3.49Å; L352-V356 PolarHBondContact O-N 3.41Å; L352-I370 HydrophobicContact CD1-CG1 3.91Å; L352-I370 HydrophobicContact CD2-CG1 4.05Å; L352-I370 HydrophobicContact CG-CG1 4.26Å; L352-V374 HydrophobicContact CD2-CG2 3.8Å |
| 353 | L | 95.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -39.1 | 176.6 | -63.8 | 173.8 | 0 | 0 | 0 | 111.4 | I349 E350 Y355 V356 C357 L371 A420 I421 L426 L430 | I349-L353 HydrophobicContact CG2-CD1 3.99Å; I349-L353 HydrophobicContact CG2-CD2 4.37Å; I349-L353 HydrophobicContact CG2-CG 3.87Å; I349-L353 PolarHBondContact O-N 3.49Å; E350-L353 PolarHBondContact O-N 3.48Å; L353-Y355 VanDerWaalsContact C-N 3.34Å; L353-V356 PolarHBondContact O-N 3.08Å; L353-C357 PolarHBondContact O-N 3.27Å; L353-C357 PolarHBondContact O-SG 3.09Å; L353-L371 HydrophobicContact CD2-CD1 3.8Å; L353-A420 HydrophobicContact CD1-CB 4.08Å; L353-I421 HydrophobicContact CD1-CG1 3.69Å; L353-L426 HydrophobicContact CB-CD1 3.95Å; L353-L426 HydrophobicContact CB-CD2 4.33Å; L353-L426 HydrophobicContact CD1-CD1 3.99Å; L353-L430 HydrophobicContact CD2-CD1 4.25Å |
| 354 | Q | 92.9 | Very high | 91.9 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 174.8 | -168.6 | 65.9 | 12.7 | 0 | 0 | 111.4 | E350 C357 H358 | E350-Q354 WeakPolarHBondContact O-CB 3.42Å; E350-Q354 PolarHBondContact O-N 3.33Å; Q354-C357 WeakPolarHBondContact O-CB 3.27Å; Q354-C357 PolarHBondContact O-N 3.48Å; Q354-H358 PolarHBondContact O-N 2.79Å |
| 355 | Y | 94.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 9% | 0.086 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 171.8 | 170.8 | -94.5 | 0 | 0 | 0 | 111.7 | L309 L312 R319 C351 L352 L353 C357 H358 Q359 D367 | L309-Y355 HydrophobicContact CD2-CD1 4.27Å; L309-Y355 HydrophobicContact CD2-CD2 4.02Å; L309-Y355 HydrophobicContact CD2-CG 3.67Å; L312-Y355 HydrophobicContact CB-CE1 4.05Å; L312-Y355 HydrophobicContact CB-CE2 4.47Å; L312-Y355 HydrophobicContact CD1-CE1 4.34Å; L312-Y355 PolarHBondContact O-OH 3.17Å; L312-Y355 VanDerWaalsContact O-OH 3.13Å; R319-Y355 PolarHBondContact NH2-OH 2.55Å; C351-Y355 WeakPolarHBondContact O-CB 3.32Å; C351-Y355 PolarHBondContact O-N 2.91Å; L352-Y355 WeakPolarHBondContact O-CB 3.42Å; L352-Y355 PolarHBondContact O-N 3.32Å; L353-Y355 VanDerWaalsContact C-N 3.34Å; Y355-C357 VanDerWaalsContact C-N 3.34Å; Y355-C357 PolarHBondContact O-N 3.1Å; Y355-H358 WeakPolarHBondContact O-CB 3.42Å; Y355-H358 PolarHBondContact O-N 3.05Å; Y355-H358 VanDerWaalsContact O-N 3.09Å; Y355-Q359 HydrophobicContact CD1-CG 4.05Å; Y355-Q359 HydrophobicContact CD2-CG 4.37Å; Y355-Q359 HydrophobicContact CE1-CG 3.52Å; Y355-Q359 HydrophobicContact CE2-CG 3.91Å; Y355-Q359 HydrophobicContact CG-CG 4.44Å; Y355-Q359 VanDerWaalsContact CZ-CG 3.44Å; Y355-Q359 WeakPolarHBondContact O-CG 3.46Å; Y355-Q359 PolarHBondContact O-N 3.5Å; Y355-Q359 PolarHBondContact OH-NE2 2.87Å; Y355-D367 HydrophobicContact CE1-CB 4.25Å; Y355-D367 PolarHBondContact OH-OD2 3.36Å |
| 356 | V | 95.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | L352 L353 H358 Q359 L360 L368 I370 L371 L430 | L352-V356 WeakPolarHBondContact O-CG2 3.49Å; L352-V356 PolarHBondContact O-N 3.41Å; L353-V356 PolarHBondContact O-N 3.08Å; V356-H358 VanDerWaalsContact C-N 3.27Å; V356-H358 PolarHBondContact O-N 3.49Å; V356-Q359 PolarHBondContact O-N 2.99Å; V356-L360 HydrophobicContact CG1-CD1 4.26Å; V356-L360 WeakPolarHBondContact O-CG 3.18Å; V356-L360 PolarHBondContact O-N 2.97Å; V356-L368 HydrophobicContact CG1-CD2 3.99Å; V356-I370 HydrophobicContact CG2-CG2 3.37Å; V356-L371 HydrophobicContact CG1-CB 4.24Å; V356-L371 HydrophobicContact CG1-CD2 4.16Å; V356-L371 HydrophobicContact CG2-CB 4.33Å; V356-L430 HydrophobicContact CB-CD2 4.38Å; V356-L430 HydrophobicContact CG1-CD2 3.92Å |
| 357 | C | 92.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 5% | 0.054 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57 | -43.4 | 174 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | L353 Q354 Y355 L360 L361 L430 | L353-C357 PolarHBondContact O-N 3.27Å; L353-C357 PolarHBondContact O-SG 3.09Å; Q354-C357 WeakPolarHBondContact O-CB 3.27Å; Q354-C357 PolarHBondContact O-N 3.48Å; Y355-C357 VanDerWaalsContact C-N 3.34Å; Y355-C357 PolarHBondContact O-N 3.1Å; C357-L360 PolarHBondContact O-N 3.4Å; C357-L361 WeakPolarHBondContact O-CG 3.36Å; C357-L361 PolarHBondContact O-N 2.72Å; C357-L361 VanDerWaalsContact O-N 3.11Å; C357-L430 WeakPolarHBondContact SG-CD2 3.48Å |
| 358 | H | 92.2 | Very high | 91.3 | Very high | 96 Ų | 96 | 30.4 Ų | 30.4 | 44% | 0.444 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.3 | -40.1 | 178.5 | -171.2 | 70.3 | 0 | 0 | 0 | 112.7 | Q354 Y355 V356 L360 L361 L362 | Q354-H358 PolarHBondContact O-N 2.79Å; Y355-H358 WeakPolarHBondContact O-CB 3.42Å; Y355-H358 PolarHBondContact O-N 3.05Å; Y355-H358 VanDerWaalsContact O-N 3.09Å; V356-H358 VanDerWaalsContact C-N 3.27Å; V356-H358 PolarHBondContact O-N 3.49Å; H358-L360 VanDerWaalsContact C-N 3.3Å; H358-L360 PolarHBondContact O-N 3.2Å; H358-L361 WeakPolarHBondContact O-CB 3.25Å; H358-L361 PolarHBondContact O-N 3.46Å; H358-L361 VanDerWaalsContact O-N 3.09Å; H358-L362 WeakPolarHBondContact NE2-CD1 3.31Å; H358-L362 WeakPolarHBondContact O-CG 3.15Å; H358-L362 PolarHBondContact O-N 2.96Å |
| 359 | Q | 92.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62 | -39 | 175 | -68.3 | -55.4 | -43.9 | 0 | 0 | 111.9 | Y355 V356 L361 L362 D363 N364 D367 | Y355-Q359 HydrophobicContact CD1-CG 4.05Å; Y355-Q359 HydrophobicContact CD2-CG 4.37Å; Y355-Q359 HydrophobicContact CE1-CG 3.52Å; Y355-Q359 HydrophobicContact CE2-CG 3.91Å; Y355-Q359 HydrophobicContact CG-CG 4.44Å; Y355-Q359 VanDerWaalsContact CZ-CG 3.44Å; Y355-Q359 WeakPolarHBondContact O-CG 3.46Å; Y355-Q359 PolarHBondContact O-N 3.5Å; Y355-Q359 PolarHBondContact OH-NE2 2.87Å; V356-Q359 PolarHBondContact O-N 2.99Å; Q359-L361 VanDerWaalsContact C-N 3.31Å; Q359-L361 PolarHBondContact O-N 3.49Å; Q359-L362 CarbonylContact O-C 3.55Å; Q359-L362 PolarHBondContact O-N 3.19Å; Q359-L362 VanDerWaalsContact O-N 3.14Å; Q359-D363 PolarHBondContact O-N 3.02Å; Q359-N364 HydrophobicContact CB-CB 4.32Å; Q359-N364 PolarHBondContact O-N 3.13Å; Q359-N364 PolarHBondContact OE1-ND2 2.81Å; Q359-D367 HydrophobicContact CB-CB 4.26Å; Q359-D367 HydrophobicContact CG-CB 4.06Å; Q359-D367 WeakPolarHBondContact CG-OD2 3.33Å; Q359-D367 PolarHBondContact OE1-OD2 3.5Å |
| 360 | L | 91.1 | Very high | 91.8 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -31.9 | 173.5 | -71 | 170.8 | 0 | 0 | 0 | 112.9 | V356 C357 H358 L362 D363 L368 R433 M434 R437 | V356-L360 HydrophobicContact CG1-CD1 4.26Å; V356-L360 WeakPolarHBondContact O-CG 3.18Å; V356-L360 PolarHBondContact O-N 2.97Å; C357-L360 PolarHBondContact O-N 3.4Å; H358-L360 VanDerWaalsContact C-N 3.3Å; H358-L360 PolarHBondContact O-N 3.2Å; L360-L362 VanDerWaalsContact C-N 3.32Å; L360-D363 PolarHBondContact O-N 2.73Å; L360-L368 HydrophobicContact CD1-CD2 4.08Å; L360-L368 HydrophobicContact CD2-CD1 4.11Å; L360-L368 HydrophobicContact CD2-CD2 3.92Å; L360-L368 HydrophobicContact CD2-CG 4.07Å; L360-L368 HydrophobicContact CG-CD2 4.22Å; L360-R433 HydrophobicContact CB-CB 4Å; L360-R433 HydrophobicContact CD1-CB 3.87Å; L360-M434 HydrophobicContact CD1-CG 3.78Å; L360-M434 HydrophobicContact CD2-CG 4.49Å; L360-R437 HydrophobicContact CD2-CB 4.41Å; L360-R437 HydrophobicContact CD2-CG 4.35Å |
| 361 | L | 88 | Confident | 92 | Very high | 94 Ų | 94 | 28.1 Ų | 28.1 | 49% | 0.492 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.6 | -31.9 | 171.9 | -71.6 | 171.2 | 0 | 0 | 0 | 112.5 | C357 H358 Q359 D363 R433 | C357-L361 WeakPolarHBondContact O-CG 3.36Å; C357-L361 PolarHBondContact O-N 2.72Å; C357-L361 VanDerWaalsContact O-N 3.11Å; H358-L361 WeakPolarHBondContact O-CB 3.25Å; H358-L361 PolarHBondContact O-N 3.46Å; H358-L361 VanDerWaalsContact O-N 3.09Å; Q359-L361 VanDerWaalsContact C-N 3.31Å; Q359-L361 PolarHBondContact O-N 3.49Å; L361-D363 PolarHBondContact O-N 3.33Å; L361-R433 VanDerWaalsContact CD2-CZ 3.44Å |
| 362 | L | 88.2 | Confident | 92.2 | Very high | 105 Ų | 105 | 30.3 Ų | 30.3 | 55% | 0.55 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 13.5 | 176.5 | -63.7 | -179.3 | 0 | 0 | 0 | 113.2 | H358 Q359 L360 N364 | H358-L362 WeakPolarHBondContact NE2-CD1 3.31Å; H358-L362 WeakPolarHBondContact O-CG 3.15Å; H358-L362 PolarHBondContact O-N 2.96Å; Q359-L362 CarbonylContact O-C 3.55Å; Q359-L362 PolarHBondContact O-N 3.19Å; Q359-L362 VanDerWaalsContact O-N 3.14Å; L360-L362 VanDerWaalsContact C-N 3.32Å; L362-N364 PolarHBondContact O-N 3.2Å |
| 363 | D | 84 | Confident | 92.2 | Very high | 79 Ų | 79 | 31.3 Ų | 31.3 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 21.3 | -179.3 | -74.3 | -41 | 0 | 0 | 0 | 114.5 | Q359 L360 L361 S365 R437 | Q359-D363 PolarHBondContact O-N 3.02Å; L360-D363 PolarHBondContact O-N 2.73Å; L361-D363 PolarHBondContact O-N 3.33Å; D363-S365 PolarHBondContact O-N 3.29Å; D363-R437 VanDerWaalsContact CB-CZ 3.42Å; D363-R437 VanDerWaalsContact CB-NH1 3.33Å; D363-R437 PolarHBondContact O-NE 3.41Å; D363-R437 PolarHBondContact O-NH2 3.08Å; D363-R437 WeakPolarHBondContact OD1-CD 3.44Å; D363-R437 IonicContact OD1-CZ 3.69Å; D363-R437 IonicContact OD1-NE 3.96Å; D363-R437 IonicContact OD1-NH1 2.9Å; D363-R437 PolarHBondContact OD1-NH1 3.37Å; D363-R437 IonicContact OD2-NH1 3.73Å |
| 364 | N | 86.6 | Confident | 92.2 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | trans | -94.7 | 98.2 | 175.9 | -178.7 | 9.9 | 0 | 0 | 0 | 111.5 | R319 Q359 L362 V366 D367 | R319-N364 PolarHBondContact NE-ND2 2.8Å; Q359-N364 HydrophobicContact CB-CB 4.32Å; Q359-N364 PolarHBondContact O-N 3.13Å; Q359-N364 PolarHBondContact OE1-ND2 2.81Å; L362-N364 PolarHBondContact O-N 3.2Å; N364-V366 PolarHBondContact OD1-N 3.22Å; N364-D367 PolarHBondContact ND2-OD2 2.87Å; N364-D367 VanDerWaalsContact ND2-OD2 3.12Å | ||
| 365 | S | 87.7 | Confident | 92.4 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | trans | -83.3 | -18.8 | -179.8 | -48.9 | 0 | 0 | 0 | 0 | 113.5 | D363 D367 L368 R437 | D363-S365 PolarHBondContact O-N 3.29Å; S365-D367 VanDerWaalsContact C-N 3.25Å; S365-D367 PolarHBondContact O-N 3.27Å; S365-L368 VanDerWaalsContact O-CB 3.24Å; S365-L368 WeakPolarHBondContact O-CB 2.91Å; S365-L368 WeakPolarHBondContact O-CG 3.12Å; S365-L368 PolarHBondContact O-N 3.17Å; S365-L368 VanDerWaalsContact O-N 3.1Å; S365-R437 WeakPolarHBondContact OG-CG 3.31Å; S365-R437 PolarHBondContact OG-NE 3.29Å; S365-R437 VanDerWaalsContact OG-NE 3.11Å | ||
| 366 | V | 89.4 | Confident | 92.3 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.055 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -36.9 | -174.8 | -175.3 | 0 | 0 | 0 | 0 | 111 | R319 L320 L331 N364 L368 L369 M456 | R319-V366 HydrophobicContact CB-CB 4.48Å; R319-V366 HydrophobicContact CB-CG1 3.9Å; L320-V366 HydrophobicContact CD1-CG2 4.21Å; L320-V366 HydrophobicContact CD2-CG1 3.99Å; L320-V366 HydrophobicContact CD2-CG2 4.01Å; L320-V366 HydrophobicContact CG-CG2 4.1Å; L331-V366 HydrophobicContact CD2-CG1 4.05Å; N364-V366 PolarHBondContact OD1-N 3.22Å; V366-L368 PolarHBondContact O-N 2.86Å; V366-L369 PolarHBondContact O-N 3.42Å; V366-M456 HydrophobicContact CG2-SD 3.95Å |
| 367 | D | 91.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.3 | -179.3 | -73.1 | -4.3 | 0 | 0 | 0 | 113 | R319 Y355 Q359 N364 S365 L369 I370 | R319-D367 VanDerWaalsContact CD-OD1 3.22Å; R319-D367 WeakPolarHBondContact CD-OD1 3.31Å; R319-D367 IonicContact CZ-OD1 2.71Å; R319-D367 IonicContact CZ-OD2 3.01Å; R319-D367 IonicContact NE-OD1 2.85Å; R319-D367 PolarHBondContact NE-OD1 2.73Å; R319-D367 IonicContact NE-OD2 3.66Å; R319-D367 PolarHBondContact NE-OD2 3.09Å; R319-D367 IonicContact NH2-OD2 3.34Å; R319-D367 PolarHBondContact NH2-OD2 2.96Å; Y355-D367 HydrophobicContact CE1-CB 4.25Å; Y355-D367 PolarHBondContact OH-OD2 3.36Å; Q359-D367 HydrophobicContact CB-CB 4.26Å; Q359-D367 HydrophobicContact CG-CB 4.06Å; Q359-D367 WeakPolarHBondContact CG-OD2 3.33Å; Q359-D367 PolarHBondContact OE1-OD2 3.5Å; N364-D367 PolarHBondContact ND2-OD2 2.87Å; N364-D367 VanDerWaalsContact ND2-OD2 3.12Å; S365-D367 VanDerWaalsContact C-N 3.25Å; S365-D367 PolarHBondContact O-N 3.27Å; D367-L369 PolarHBondContact O-N 3.47Å; D367-I370 WeakPolarHBondContact O-CG2 3.39Å; D367-I370 PolarHBondContact O-N 3.31Å |
| 368 | L | 94.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.8 | -21.4 | 169.7 | -75.7 | 176.9 | 0 | 0 | 0 | 113.1 | V356 L360 S365 V366 I370 L371 Y372 M434 C460 T463 | V356-L368 HydrophobicContact CG1-CD2 3.99Å; L360-L368 HydrophobicContact CD1-CD2 4.08Å; L360-L368 HydrophobicContact CD2-CD1 4.11Å; L360-L368 HydrophobicContact CD2-CD2 3.92Å; L360-L368 HydrophobicContact CD2-CG 4.07Å; L360-L368 HydrophobicContact CG-CD2 4.22Å; S365-L368 VanDerWaalsContact O-CB 3.24Å; S365-L368 WeakPolarHBondContact O-CB 2.91Å; S365-L368 WeakPolarHBondContact O-CG 3.12Å; S365-L368 PolarHBondContact O-N 3.17Å; S365-L368 VanDerWaalsContact O-N 3.1Å; V366-L368 PolarHBondContact O-N 2.86Å; L368-I370 PolarHBondContact O-N 3.46Å; L368-L371 HydrophobicContact CD2-CD2 4.34Å; L368-L371 PolarHBondContact O-N 3.35Å; L368-L371 VanDerWaalsContact O-N 3.08Å; L368-Y372 PolarHBondContact O-N 3.02Å; L368-M434 HydrophobicContact CD1-CG 4.43Å; L368-M434 HydrophobicContact CD2-CG 3.9Å; L368-M434 HydrophobicContact CD2-SD 3.92Å; L368-C460 HydrophobicContact CD1-CB 3.98Å; L368-T463 HydrophobicContact CB-CG2 4.3Å; L368-T463 HydrophobicContact CD2-CG2 4.26Å |
| 369 | L | 94.6 | Very high | 92.3 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -51.7 | -36.4 | 172 | -174.7 | 66.7 | 0 | 0 | 0 | 112.8 | I327 L331 Q332 C335 V366 D367 Y372 E373 | I327-L369 HydrophobicContact CD1-CD2 4.4Å; I327-L369 HydrophobicContact CG2-CD2 4.01Å; L331-L369 HydrophobicContact CG-CD2 4.18Å; Q332-L369 HydrophobicContact CG-CD2 4.26Å; C335-L369 HydrophobicContact CB-CD2 4.22Å; C335-L369 HydrophobicContact CB-CG 4.12Å; V366-L369 PolarHBondContact O-N 3.42Å; D367-L369 PolarHBondContact O-N 3.47Å; L369-Y372 PolarHBondContact O-N 3.09Å; L369-E373 WeakPolarHBondContact O-CB 3.46Å; L369-E373 PolarHBondContact O-N 3.47Å |
| 370 | I | 97 | Very high | 92.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.3 | -40.7 | 179.8 | -163.3 | 59.6 | 0 | 0 | 0 | 111.7 | L312 C335 T338 L352 V356 D367 L368 V374 | L312-I370 HydrophobicContact CD1-CD1 4.37Å; L312-I370 HydrophobicContact CD1-CG1 4.04Å; C335-I370 HydrophobicContact CB-CD1 4Å; T338-I370 HydrophobicContact CG2-CD1 3.74Å; L352-I370 HydrophobicContact CD1-CG1 3.91Å; L352-I370 HydrophobicContact CD2-CG1 4.05Å; L352-I370 HydrophobicContact CG-CG1 4.26Å; V356-I370 HydrophobicContact CG2-CG2 3.37Å; D367-I370 WeakPolarHBondContact O-CG2 3.39Å; D367-I370 PolarHBondContact O-N 3.31Å; L368-I370 PolarHBondContact O-N 3.46Å; I370-V374 WeakPolarHBondContact O-CB 3.46Å; I370-V374 VanDerWaalsContact O-CG2 3.23Å; I370-V374 WeakPolarHBondContact O-CG2 3.34Å; I370-V374 PolarHBondContact O-N 3.45Å |
| 371 | L | 97 | Very high | 92 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 176.2 | 179.6 | 61 | 0 | 0 | 0 | 109.9 | L353 V356 L368 E373 V374 V375 L430 M434 T463 F467 | L353-L371 HydrophobicContact CD2-CD1 3.8Å; V356-L371 HydrophobicContact CG1-CB 4.24Å; V356-L371 HydrophobicContact CG1-CD2 4.16Å; V356-L371 HydrophobicContact CG2-CB 4.33Å; L368-L371 HydrophobicContact CD2-CD2 4.34Å; L368-L371 PolarHBondContact O-N 3.35Å; L368-L371 VanDerWaalsContact O-N 3.08Å; L371-E373 PolarHBondContact O-N 3.48Å; L371-V374 PolarHBondContact O-N 3.42Å; L371-V375 HydrophobicContact CD1-CG2 4.09Å; L371-V375 HydrophobicContact CG-CG2 4.49Å; L371-V375 VanDerWaalsContact O-CG2 3.32Å; L371-V375 WeakPolarHBondContact O-CG2 3.45Å; L371-V375 PolarHBondContact O-N 3.42Å; L371-L430 HydrophobicContact CD2-CD2 4.3Å; L371-M434 HydrophobicContact CD2-CE 4.1Å; L371-M434 HydrophobicContact CD2-SD 3.88Å; L371-T463 HydrophobicContact CB-CG2 4.18Å; L371-T463 HydrophobicContact CD2-CG2 3.92Å; L371-T463 HydrophobicContact CG-CG2 4.05Å; L371-F467 HydrophobicContact CD1-CD2 4.23Å; L371-F467 HydrophobicContact CD1-CE2 4.43Å; L371-F467 HydrophobicContact CD2-CD2 4.42Å |
| 372 | Y | 96 | Very high | 91.7 | Very high | 50 Ų | 50 | 25.5 Ų | 25.5 | 20% | 0.196 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.8 | -50.9 | 178 | -179.6 | -92.1 | 0 | 0 | 0 | 112.2 | L368 L369 V375 K376 A383 Q466 | L368-Y372 PolarHBondContact O-N 3.02Å; L369-Y372 PolarHBondContact O-N 3.09Å; Y372-V375 PolarHBondContact O-N 3.03Å; Y372-K376 HydrophobicContact CE1-CD 4.01Å; Y372-K376 VanDerWaalsContact O-CB 3.27Å; Y372-K376 WeakPolarHBondContact O-CB 3.28Å; Y372-K376 PolarHBondContact O-N 3.14Å; Y372-A383 HydrophobicContact CE2-CB 3.68Å; Y372-A383 PolarHBondContact OH-N 2.94Å; Y372-Q466 VanDerWaalsContact CA-OE1 3.3Å; Y372-Q466 HydrophobicContact CE2-CG 4.49Å; Y372-Q466 PolarHBondContact O-NE2 2.75Å; Y372-Q466 VanDerWaalsContact O-NE2 3.09Å; Y372-Q466 PolarHBondContact O-OE1 3.04Å |
| 373 | E | 95.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 20.9 Ų | 20.9 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.9 | -33.9 | -176.4 | -170.8 | 51.1 | -127.6 | 0 | 0 | 112.3 | C335 L369 L371 K376 S377 | C335-E373 HydrophobicContact CB-CB 4.09Å; C335-E373 HydrophobicContact CB-CG 4.31Å; C335-E373 VanDerWaalsContact O-CG 3.24Å; C335-E373 WeakPolarHBondContact O-CG 3.44Å; L369-E373 WeakPolarHBondContact O-CB 3.46Å; L369-E373 PolarHBondContact O-N 3.47Å; L371-E373 PolarHBondContact O-N 3.48Å; E373-K376 IonicContact OE1-NZ 3.5Å; E373-K376 IonicContact OE2-NZ 3.06Å; E373-K376 PolarHBondContact OE2-NZ 3.11Å; E373-S377 WeakPolarHBondContact O-CB 3.46Å; E373-S377 PolarHBondContact O-N 2.89Å; E373-S377 PolarHBondContact O-OG 3.09Å; E373-S377 PolarHBondContact OE1-OG 3Å |
| 374 | V | 96.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 173.8 | 167.5 | 0 | 0 | 0 | 0 | 111.2 | T338 L352 I370 L371 S377 M378 L417 | T338-V374 HydrophobicContact CG2-CG2 4.15Å; L352-V374 HydrophobicContact CD2-CG2 3.8Å; I370-V374 WeakPolarHBondContact O-CB 3.46Å; I370-V374 VanDerWaalsContact O-CG2 3.23Å; I370-V374 WeakPolarHBondContact O-CG2 3.34Å; I370-V374 PolarHBondContact O-N 3.45Å; L371-V374 PolarHBondContact O-N 3.42Å; V374-S377 PolarHBondContact O-N 3.29Å; V374-M378 HydrophobicContact CG1-CG 4.32Å; V374-M378 HydrophobicContact CG1-SD 3.76Å; V374-M378 VanDerWaalsContact O-CB 3.25Å; V374-M378 WeakPolarHBondContact O-CB 3.49Å; V374-M378 VanDerWaalsContact O-CG 3.31Å; V374-M378 WeakPolarHBondContact O-CG 3.25Å; V374-M378 PolarHBondContact O-N 3.48Å; V374-L417 HydrophobicContact CG1-CD1 4.18Å |
| 375 | V | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | L371 Y372 S377 S379 I381 L417 Q466 F467 F470 | L371-V375 HydrophobicContact CD1-CG2 4.09Å; L371-V375 HydrophobicContact CG-CG2 4.49Å; L371-V375 VanDerWaalsContact O-CG2 3.32Å; L371-V375 WeakPolarHBondContact O-CG2 3.45Å; L371-V375 PolarHBondContact O-N 3.42Å; Y372-V375 PolarHBondContact O-N 3.03Å; V375-S377 PolarHBondContact O-N 3.11Å; V375-S379 VanDerWaalsContact O-CB 3.32Å; V375-S379 WeakPolarHBondContact O-CB 3.45Å; V375-S379 PolarHBondContact O-N 3.4Å; V375-S379 PolarHBondContact O-OG 3.35Å; V375-I381 HydrophobicContact CG1-CB 4.35Å; V375-L417 HydrophobicContact CG2-CD2 4.26Å; V375-Q466 HydrophobicContact CB-CG 4.48Å; V375-Q466 HydrophobicContact CG1-CG 3.8Å; V375-F467 HydrophobicContact CG2-CD2 4.26Å; V375-F470 HydrophobicContact CG1-CB 4.23Å |
| 376 | K | 93.9 | Very high | 86.8 | Confident | 62 Ų | 62 | 18.5 Ų | 18.5 | 27% | 0.27 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -56.3 | -52.8 | 176.5 | 172.6 | 177.5 | 159.8 | -144.2 | 0 | 112.4 | Y372 E373 G380 I381 E382 | Y372-K376 HydrophobicContact CE1-CD 4.01Å; Y372-K376 VanDerWaalsContact O-CB 3.27Å; Y372-K376 WeakPolarHBondContact O-CB 3.28Å; Y372-K376 PolarHBondContact O-N 3.14Å; E373-K376 IonicContact OE1-NZ 3.5Å; E373-K376 IonicContact OE2-NZ 3.06Å; E373-K376 PolarHBondContact OE2-NZ 3.11Å; K376-G380 WeakPolarHBondContact O-CA 3.31Å; K376-G380 PolarHBondContact O-N 3.27Å; K376-I381 VanDerWaalsContact CA-O 3.3Å; K376-I381 WeakPolarHBondContact CA-O 3.3Å; K376-E382 HydrophobicContact CD-CG 4.06Å; K376-E382 WeakPolarHBondContact CE-OE1 3.12Å; K376-E382 HydrophobicContact CG-CG 3.92Å |
| 377 | S | 93.3 | Very high | 85.1 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.5 | -41.9 | -175.2 | -83.9 | 0 | 0 | 0 | 0 | 112.7 | G339 K343 E373 V374 V375 | G339-S377 VanDerWaalsContact CA-CB 3.46Å; G339-S377 VanDerWaalsContact O-CB 3.25Å; G339-S377 WeakPolarHBondContact O-CB 3.28Å; K343-S377 WeakPolarHBondContact CD-O 3.24Å; K343-S377 VanDerWaalsContact CE-O 3.27Å; K343-S377 WeakPolarHBondContact CE-O 3.23Å; K343-S377 WeakPolarHBondContact CG-O 3.29Å; K343-S377 PolarHBondContact NZ-O 3.42Å; E373-S377 WeakPolarHBondContact O-CB 3.46Å; E373-S377 PolarHBondContact O-N 2.89Å; E373-S377 PolarHBondContact O-OG 3.09Å; E373-S377 PolarHBondContact OE1-OG 3Å; V374-S377 PolarHBondContact O-N 3.29Å; V375-S377 PolarHBondContact O-N 3.11Å |
| 378 | M | 94.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -81 | -30.6 | -176 | -65.9 | -170.5 | 77.7 | 0 | 0 | 113.8 | F342 I349 V374 S413 V414 R416 L417 | F342-M378 HydrophobicContact CB-CG 4.43Å; F342-M378 HydrophobicContact CB-SD 4.01Å; I349-M378 HydrophobicContact CD1-CE 3.42Å; I349-M378 VanDerWaalsContact CD1-CE 3.42Å; I349-M378 HydrophobicContact CD1-SD 3.66Å; I349-M378 HydrophobicContact CG1-SD 4.43Å; V374-M378 HydrophobicContact CG1-CG 4.32Å; V374-M378 HydrophobicContact CG1-SD 3.76Å; V374-M378 VanDerWaalsContact O-CB 3.25Å; V374-M378 WeakPolarHBondContact O-CB 3.49Å; V374-M378 VanDerWaalsContact O-CG 3.31Å; V374-M378 WeakPolarHBondContact O-CG 3.25Å; V374-M378 PolarHBondContact O-N 3.48Å; M378-S413 WeakPolarHBondContact CE-O 2.95Å; M378-S413 WeakPolarHBondContact O-CB 3.39Å; M378-S413 PolarHBondContact O-OG 3.29Å; M378-V414 PolarHBondContact O-N 3.33Å; M378-R416 HydrophobicContact CE-CB 4.2Å; M378-L417 HydrophobicContact CB-CD2 4.08Å; M378-L417 HydrophobicContact CE-CB 4.01Å; M378-L417 HydrophobicContact SD-CB 4.05Å; M378-L417 HydrophobicContact SD-CD1 4.34Å; M378-L417 HydrophobicContact SD-CD2 4.42Å |
| 379 | S | 92 | Very high | 83 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -110.9 | -25.1 | -176.7 | 76 | 0 | 0 | 0 | 0 | 114.3 | V375 I381 C409 | V375-S379 VanDerWaalsContact O-CB 3.32Å; V375-S379 WeakPolarHBondContact O-CB 3.45Å; V375-S379 PolarHBondContact O-N 3.4Å; V375-S379 PolarHBondContact O-OG 3.35Å; S379-I381 VanDerWaalsContact C-N 3.27Å; S379-I381 WeakPolarHBondContact OG-CB 3.35Å; S379-I381 VanDerWaalsContact OG-CG1 3.25Å; S379-I381 WeakPolarHBondContact OG-CG1 3.37Å; S379-I381 PolarHBondContact OG-N 3.47Å; S379-C409 WeakPolarHBondContact O-CA 3.24Å; S379-C409 WeakPolarHBondContact O-CB 3.44Å; S379-C409 PolarHBondContact O-SG 3.32Å |
| 380 | G | 88.8 | Confident | 82.2 | Confident | 29 Ų | 29 | 32.2 Ų | 32.2 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | trans | 80.7 | 5.7 | -172 | 0 | 0 | 0 | 0 | 0 | 113.8 | K376 E382 | K376-G380 WeakPolarHBondContact O-CA 3.31Å; K376-G380 PolarHBondContact O-N 3.27Å; G380-E382 PolarHBondContact O-N 3.23Å | ||
| 381 | I | 87.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 116 | 173.8 | -58 | 178 | 0 | 0 | 0 | 108.3 | V375 K376 S379 M407 Q466 F470 F474 | V375-I381 HydrophobicContact CG1-CB 4.35Å; K376-I381 VanDerWaalsContact CA-O 3.3Å; K376-I381 WeakPolarHBondContact CA-O 3.3Å; S379-I381 VanDerWaalsContact C-N 3.27Å; S379-I381 WeakPolarHBondContact OG-CB 3.35Å; S379-I381 VanDerWaalsContact OG-CG1 3.25Å; S379-I381 WeakPolarHBondContact OG-CG1 3.37Å; S379-I381 PolarHBondContact OG-N 3.47Å; I381-M407 HydrophobicContact CB-CE 4.35Å; I381-M407 HydrophobicContact CD1-CE 4.06Å; I381-M407 HydrophobicContact CG1-CE 3.39Å; I381-Q466 HydrophobicContact CB-CG 4.27Å; I381-Q466 HydrophobicContact CG2-CG 3.69Å; I381-Q466 PolarHBondContact O-NE2 2.77Å; I381-F470 HydrophobicContact CD1-CB 3.69Å; I381-F470 HydrophobicContact CD1-CD2 4.07Å; I381-F470 HydrophobicContact CD1-CG 4.37Å; I381-F474 HydrophobicContact CD1-CD2 4.5Å; I381-F474 HydrophobicContact CD1-CE2 3.91Å |
| 382 | E | 82.6 | Confident | 80.8 | Confident | 99 Ų | 99 | 41.2 Ų | 41.2 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -101.2 | 153.8 | 170.2 | -66.7 | -179.1 | 164.8 | 0 | 0 | 109.1 | K376 G380 T384 | K376-E382 HydrophobicContact CD-CG 4.06Å; K376-E382 WeakPolarHBondContact CE-OE1 3.12Å; K376-E382 HydrophobicContact CG-CG 3.92Å; G380-E382 PolarHBondContact O-N 3.23Å; E382-T384 PolarHBondContact O-N 3.47Å |
| 383 | A | 69.6 | Low | 80.2 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 141.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y372 S385 D462 | Y372-A383 HydrophobicContact CE2-CB 3.68Å; Y372-A383 PolarHBondContact OH-N 2.94Å; A383-S385 PolarHBondContact O-N 3.05Å; A383-S385 VanDerWaalsContact O-N 3.16Å; A383-D462 HydrophobicContact CB-CB 3.61Å |
| 384 | T | 63.5 | Low | 79.8 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -69.4 | -11 | -175.3 | -34.8 | 0 | 0 | 0 | 0 | 112.2 | E382 T388 L393 D637 V638 | E382-T384 PolarHBondContact O-N 3.47Å; T384-T388 VanDerWaalsContact CA-CG2 3.5Å; T384-T388 HydrophobicContact CG2-CG2 3.49Å; T384-T388 VanDerWaalsContact CG2-CG2 3.49Å; T384-T388 WeakPolarHBondContact O-CG2 3.5Å; T384-T388 PolarHBondContact O-OG1 3.25Å; T384-L393 HydrophobicContact CG2-CD2 3.6Å; T384-D637 HydrophobicContact CG2-CB 3.61Å; T384-V638 HydrophobicContact CG2-CG2 4.05Å |
| 385 | S | 56.9 | Low | 79.3 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 128.4 | -172 | 49 | 0 | 0 | 0 | 0 | 113.8 | A383 V387 D462 D637 | A383-S385 PolarHBondContact O-N 3.05Å; A383-S385 VanDerWaalsContact O-N 3.16Å; S385-V387 PolarHBondContact O-N 3.16Å; S385-D462 WeakPolarHBondContact CB-OD1 3.09Å; S385-D462 VanDerWaalsContact CB-OD2 3.3Å; S385-D462 WeakPolarHBondContact CB-OD2 3.37Å; S385-D462 PolarHBondContact OG-OD1 3.08Å; S385-D462 PolarHBondContact OG-OD2 3.18Å; S385-D637 WeakPolarHBondContact CA-OD2 3.2Å; S385-D637 PolarHBondContact N-OD2 3.19Å |
| 386 | G | 53.2 | Low | 78.9 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -19.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 387 | V | 54.3 | Low | 78.5 | Confident | 116 Ų | 116 | 41.2 Ų | 41.2 | 70% | 0.703 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128 | -7.9 | -173.8 | -169 | 0 | 0 | 0 | 0 | 113.3 | S385 T389 | S385-V387 PolarHBondContact O-N 3.16Å; V387-T389 PolarHBondContact O-N 2.83Å |
| 388 | T | 65.2 | Low | 78.3 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | trans | -68 | 128.7 | -177.7 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | T384 | T384-T388 VanDerWaalsContact CA-CG2 3.5Å; T384-T388 HydrophobicContact CG2-CG2 3.49Å; T384-T388 VanDerWaalsContact CG2-CG2 3.49Å; T384-T388 WeakPolarHBondContact O-CG2 3.5Å; T384-T388 PolarHBondContact O-OG1 3.25Å | ||
| 389 | T | 75.5 | Confident | 78.1 | Confident | 73 Ų | 73 | 40.9 Ų | 40.9 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | trans | -71.2 | 151.9 | 172.2 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | V387 Q391 Q392 L393 | V387-T389 PolarHBondContact O-N 2.83Å; T389-Q391 PolarHBondContact O-N 3.31Å; T389-Q392 VanDerWaalsContact N-OE1 3.08Å; T389-Q392 WeakPolarHBondContact O-CB 3.21Å; T389-Q392 PolarHBondContact O-N 2.98Å; T389-Q392 WeakPolarHBondContact OG1-CG 3.44Å; T389-Q392 PolarHBondContact OG1-N 3.39Å; T389-Q392 PolarHBondContact OG1-OE1 3.14Å; T389-L393 PolarHBondContact O-N 2.9Å | ||
| 390 | D | 78.7 | Confident | 78 | Confident | 109 Ų | 109 | 44.3 Ų | 44.3 | 58% | 0.583 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.5 | -32.4 | 176.6 | -58.5 | -36.8 | 0 | 0 | 0 | 111.4 | Q392 L393 D394 R688 | D390-Q392 VanDerWaalsContact C-N 3.34Å; D390-Q392 PolarHBondContact O-N 3.09Å; D390-L393 PolarHBondContact O-N 3.09Å; D390-D394 PolarHBondContact O-N 2.97Å; D390-R688 IonicContact OD1-NH1 3.38Å |
| 391 | Q | 79.7 | Confident | 78.1 | Confident | 134 Ų | 134 | 45.2 Ų | 45.2 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.8 | -37.5 | 172.9 | -67.8 | -177.9 | -6 | 0 | 0 | 113.6 | T389 A395 | T389-Q391 PolarHBondContact O-N 3.31Å; Q391-A395 WeakPolarHBondContact O-CB 3.29Å; Q391-A395 PolarHBondContact O-N 3.36Å |
| 392 | Q | 83.7 | Confident | 78.2 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 27% | 0.271 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 175.1 | -76.7 | 171 | -43.2 | 0 | 0 | 110.4 | T389 D390 D394 A395 Y396 V406 | T389-Q392 VanDerWaalsContact N-OE1 3.08Å; T389-Q392 WeakPolarHBondContact O-CB 3.21Å; T389-Q392 PolarHBondContact O-N 2.98Å; T389-Q392 WeakPolarHBondContact OG1-CG 3.44Å; T389-Q392 PolarHBondContact OG1-N 3.39Å; T389-Q392 PolarHBondContact OG1-OE1 3.14Å; D390-Q392 VanDerWaalsContact C-N 3.34Å; D390-Q392 PolarHBondContact O-N 3.09Å; Q392-D394 PolarHBondContact O-N 2.75Å; Q392-A395 WeakPolarHBondContact O-CB 3.42Å; Q392-A395 PolarHBondContact O-N 3.44Å; Q392-Y396 WeakPolarHBondContact O-CD2 3.41Å; Q392-Y396 PolarHBondContact O-N 3.42Å; Q392-Y396 VanDerWaalsContact O-N 3.07Å; Q392-V406 HydrophobicContact CB-CG1 4.43Å; Q392-V406 HydrophobicContact CG-CG1 3.59Å |
| 393 | L | 84.5 | Confident | 78.5 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 179.2 | -67.5 | 173.4 | 0 | 0 | 0 | 112.5 | T384 T389 D390 A395 Y396 D637 V638 I641 | T384-L393 HydrophobicContact CG2-CD2 3.6Å; T389-L393 PolarHBondContact O-N 2.9Å; D390-L393 PolarHBondContact O-N 3.09Å; L393-A395 VanDerWaalsContact C-N 3.32Å; L393-A395 PolarHBondContact O-N 3Å; L393-Y396 WeakPolarHBondContact O-CB 3.25Å; L393-Y396 PolarHBondContact O-N 3.27Å; L393-D637 HydrophobicContact CD2-CB 3.9Å; L393-V638 HydrophobicContact CD2-CG2 4.27Å; L393-I641 HydrophobicContact CD1-CG1 4.34Å |
| 394 | D | 86.2 | Confident | 79.3 | Confident | 76 Ų | 76 | 45.7 Ų | 45.7 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 174.9 | -73.9 | -25.4 | 0 | 0 | 0 | 111.6 | D390 Q392 Y396 S397 P561 M564 | D390-D394 PolarHBondContact O-N 2.97Å; Q392-D394 PolarHBondContact O-N 2.75Å; D394-Y396 VanDerWaalsContact C-N 3.31Å; D394-Y396 PolarHBondContact O-N 3.18Å; D394-S397 VanDerWaalsContact O-CB 3.28Å; D394-S397 WeakPolarHBondContact O-CB 3.44Å; D394-S397 PolarHBondContact O-N 3.46Å; D394-S397 VanDerWaalsContact O-N 3.09Å; D394-P561 WeakPolarHBondContact O-CB 3.41Å; D394-M564 HydrophobicContact CB-CG 4.02Å |
| 395 | A | 86.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q391 Q392 L393 S397 G398 L402 K403 V406 M564 | Q391-A395 WeakPolarHBondContact O-CB 3.29Å; Q391-A395 PolarHBondContact O-N 3.36Å; Q392-A395 WeakPolarHBondContact O-CB 3.42Å; Q392-A395 PolarHBondContact O-N 3.44Å; L393-A395 VanDerWaalsContact C-N 3.32Å; L393-A395 PolarHBondContact O-N 3Å; A395-S397 PolarHBondContact O-N 2.75Å; A395-G398 WeakPolarHBondContact O-CA 3.32Å; A395-G398 PolarHBondContact O-N 3.03Å; A395-L402 HydrophobicContact CB-CG 4.46Å; A395-K403 WeakPolarHBondContact O-CG 3.39Å; A395-V406 HydrophobicContact CB-CB 4.26Å; A395-V406 HydrophobicContact CB-CG2 3.55Å; A395-M564 HydrophobicContact CB-CE 4.25Å |
| 396 | Y | 85.5 | Confident | 81.3 | Confident | 48 Ų | 48 | 50 Ų | 50 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -17.8 | 173.4 | -80 | -73.8 | 0 | 0 | 0 | 113.6 | Q392 L393 D394 G398 K403 M407 V638 | Q392-Y396 WeakPolarHBondContact O-CD2 3.41Å; Q392-Y396 PolarHBondContact O-N 3.42Å; Q392-Y396 VanDerWaalsContact O-N 3.07Å; L393-Y396 WeakPolarHBondContact O-CB 3.25Å; L393-Y396 PolarHBondContact O-N 3.27Å; D394-Y396 VanDerWaalsContact C-N 3.31Å; D394-Y396 PolarHBondContact O-N 3.18Å; Y396-G398 VanDerWaalsContact C-N 3.26Å; Y396-K403 HydrophobicContact CD1-CD 4.32Å; Y396-K403 HydrophobicContact CD1-CG 4.43Å; Y396-M407 HydrophobicContact CE1-SD 4.46Å; Y396-V638 HydrophobicContact CD1-CG2 4.46Å; Y396-V638 HydrophobicContact CD2-CG2 4.22Å; Y396-V638 HydrophobicContact CG-CG2 4.03Å |
| 397 | S | 86.7 | Confident | 82.4 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.9 | 170.5 | -52.7 | 0 | 0 | 0 | 0 | 113 | D394 A395 T555 G556 P561 Q598 | D394-S397 VanDerWaalsContact O-CB 3.28Å; D394-S397 WeakPolarHBondContact O-CB 3.44Å; D394-S397 PolarHBondContact O-N 3.46Å; D394-S397 VanDerWaalsContact O-N 3.09Å; A395-S397 PolarHBondContact O-N 2.75Å; S397-T555 WeakPolarHBondContact OG-CG2 3.44Å; S397-G556 WeakPolarHBondContact O-CA 3.35Å; S397-P561 WeakPolarHBondContact O-CD 3.05Å; S397-Q598 PolarHBondContact O-NE2 2.77Å |
| 398 | G | 89.9 | Confident | 83.3 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -83.9 | -177.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A395 Y396 K403 | A395-G398 WeakPolarHBondContact O-CA 3.32Å; A395-G398 PolarHBondContact O-N 3.03Å; Y396-G398 VanDerWaalsContact C-N 3.26Å; G398-K403 WeakPolarHBondContact O-CE 3.41Å |
| 399 | G | 90.1 | Very high | 83.8 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | trans | -76.4 | 179.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L401 L402 K403 Y565 E594 | G399-L401 VanDerWaalsContact C-N 3.32Å; G399-L401 PolarHBondContact O-N 3.3Å; G399-L402 PolarHBondContact O-N 2.99Å; G399-K403 WeakPolarHBondContact O-CG 3.2Å; G399-K403 PolarHBondContact O-N 3.29Å; G399-K403 VanDerWaalsContact O-N 3.1Å; G399-Y565 PolarHBondContact N-OH 3.41Å; G399-E594 WeakPolarHBondContact CA-OE1 3.33Å | ||
| 400 | D | 89.4 | Confident | 83.9 | Confident | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.6 | -28.1 | -168.1 | -57.3 | -35.1 | 0 | 0 | 0 | 112.6 | K403 M404 L473 E594 | D400-K403 IonicContact OD1-NZ 2.79Å; D400-K403 PolarHBondContact OD1-NZ 3.39Å; D400-M404 WeakPolarHBondContact O-CB 3.23Å; D400-M404 WeakPolarHBondContact O-CG 3.38Å; D400-M404 PolarHBondContact O-N 2.96Å; D400-L473 HydrophobicContact CB-CD1 3.86Å; D400-E594 PolarHBondContact N-OE2 3.49Å; D400-E594 VanDerWaalsContact N-OE2 3.07Å |
| 401 | L | 90.6 | Very high | 84.2 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 173.4 | -64.7 | 174.7 | 0 | 0 | 0 | 111.4 | G399 M404 E405 K590 M591 E594 | G399-L401 VanDerWaalsContact C-N 3.32Å; G399-L401 PolarHBondContact O-N 3.3Å; L401-M404 PolarHBondContact O-N 3.49Å; L401-E405 PolarHBondContact O-N 3.31Å; L401-E405 VanDerWaalsContact O-N 3.09Å; L401-K590 HydrophobicContact CD1-CB 3.74Å; L401-M591 HydrophobicContact CB-CE 4.41Å; L401-M591 HydrophobicContact CB-SD 4.03Å; L401-E594 WeakPolarHBondContact CB-OE2 3.46Å; L401-E594 HydrophobicContact CD1-CB 4.32Å; L401-E594 WeakPolarHBondContact CG-OE2 3.34Å; L401-E594 PolarHBondContact N-OE2 3.1Å |
| 402 | L | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 178.1 | -172.8 | 62.4 | 0 | 0 | 0 | 111.6 | A395 G399 M404 E405 P561 M564 Y565 S568 M591 E594 | A395-L402 HydrophobicContact CB-CG 4.46Å; G399-L402 PolarHBondContact O-N 2.99Å; L402-M404 PolarHBondContact O-N 2.96Å; L402-E405 PolarHBondContact O-N 3.43Å; L402-P561 HydrophobicContact CD2-CG 3.77Å; L402-M564 HydrophobicContact CD1-CB 4.31Å; L402-M564 HydrophobicContact CD2-CB 3.88Å; L402-Y565 HydrophobicContact CB-CE1 4.04Å; L402-Y565 HydrophobicContact CD2-CD1 4.27Å; L402-Y565 HydrophobicContact CD2-CD2 4.12Å; L402-Y565 HydrophobicContact CD2-CE1 4.1Å; L402-Y565 HydrophobicContact CD2-CE2 3.94Å; L402-Y565 HydrophobicContact CD2-CG 4.28Å; L402-S568 WeakPolarHBondContact CD1-OG 3.35Å; L402-M591 HydrophobicContact CB-SD 4.46Å; L402-M591 HydrophobicContact CD1-CE 4.43Å; L402-E594 PolarHBondContact N-OE1 2.93Å |
| 403 | K | 88.6 | Confident | 85.2 | Confident | 46 Ų | 46 | 57 Ų | 57 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 173.6 | -67.3 | 174.2 | -161.3 | 156.1 | 0 | 111.2 | A395 Y396 G398 G399 D400 E405 V406 M407 | A395-K403 WeakPolarHBondContact O-CG 3.39Å; Y396-K403 HydrophobicContact CD1-CD 4.32Å; Y396-K403 HydrophobicContact CD1-CG 4.43Å; G398-K403 WeakPolarHBondContact O-CE 3.41Å; G399-K403 WeakPolarHBondContact O-CG 3.2Å; G399-K403 PolarHBondContact O-N 3.29Å; G399-K403 VanDerWaalsContact O-N 3.1Å; D400-K403 IonicContact OD1-NZ 2.79Å; D400-K403 PolarHBondContact OD1-NZ 3.39Å; K403-E405 VanDerWaalsContact C-N 3.27Å; K403-E405 PolarHBondContact O-N 2.52Å; K403-V406 PolarHBondContact O-N 2.93Å; K403-M407 HydrophobicContact CB-SD 4.01Å; K403-M407 WeakPolarHBondContact O-CB 3.44Å; K403-M407 WeakPolarHBondContact O-CG 3.34Å; K403-M407 PolarHBondContact O-N 3.4Å |
| 404 | M | 85.2 | Confident | 85.6 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66 | -22.9 | 180 | -73.5 | -174.4 | -168.8 | 0 | 0 | 114 | D400 L401 L402 V406 L473 F474 | D400-M404 WeakPolarHBondContact O-CB 3.23Å; D400-M404 WeakPolarHBondContact O-CG 3.38Å; D400-M404 PolarHBondContact O-N 2.96Å; L401-M404 PolarHBondContact O-N 3.49Å; L402-M404 PolarHBondContact O-N 2.96Å; M404-V406 VanDerWaalsContact C-N 3.33Å; M404-L473 HydrophobicContact CE-CD1 3.69Å; M404-L473 HydrophobicContact CE-CD2 4.31Å; M404-L473 HydrophobicContact CE-CG 3.82Å; M404-L473 HydrophobicContact CG-CD1 4.36Å; M404-L473 HydrophobicContact CG-CD2 4.37Å; M404-F474 HydrophobicContact CE-CD1 4.37Å; M404-F474 HydrophobicContact CE-CE1 3.9Å |
| 405 | E | 83.7 | Confident | 86 | Confident | 66 Ų | 66 | 56 Ų | 56 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68 | -36.8 | 174.2 | -171.5 | -178.1 | 160.3 | 0 | 0 | 111.5 | L401 L402 K403 S568 R571 M591 | L401-E405 PolarHBondContact O-N 3.31Å; L401-E405 VanDerWaalsContact O-N 3.09Å; L402-E405 PolarHBondContact O-N 3.43Å; K403-E405 VanDerWaalsContact C-N 3.27Å; K403-E405 PolarHBondContact O-N 2.52Å; E405-S568 VanDerWaalsContact CD-OG 3.27Å; E405-S568 PolarHBondContact OE1-OG 3.47Å; E405-S568 WeakPolarHBondContact OE2-CB 3.47Å; E405-S568 PolarHBondContact OE2-OG 3.19Å; E405-R571 IonicContact OE1-NH1 2.8Å; E405-R571 PolarHBondContact OE1-NH1 3.16Å; E405-M591 WeakPolarHBondContact OE2-CE 3.41Å |
| 406 | V | 80.1 | Confident | 86.4 | Confident | 47 Ų | 47 | 57.7 Ų | 57.7 | 29% | 0.285 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -82.1 | -32.7 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | Q392 A395 K403 M404 M564 | Q392-V406 HydrophobicContact CB-CG1 4.43Å; Q392-V406 HydrophobicContact CG-CG1 3.59Å; A395-V406 HydrophobicContact CB-CB 4.26Å; A395-V406 HydrophobicContact CB-CG2 3.55Å; K403-V406 PolarHBondContact O-N 2.93Å; M404-V406 VanDerWaalsContact C-N 3.33Å; V406-M564 HydrophobicContact CG2-CE 4.39Å |
| 407 | M | 75.6 | Confident | 86.9 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -85.3 | 114.4 | 179.5 | -58.6 | 164.1 | 75.9 | 0 | 0 | 109.9 | I381 Y396 K403 C409 L473 | I381-M407 HydrophobicContact CB-CE 4.35Å; I381-M407 HydrophobicContact CD1-CE 4.06Å; I381-M407 HydrophobicContact CG1-CE 3.39Å; Y396-M407 HydrophobicContact CE1-SD 4.46Å; K403-M407 HydrophobicContact CB-SD 4.01Å; K403-M407 WeakPolarHBondContact O-CB 3.44Å; K403-M407 WeakPolarHBondContact O-CG 3.34Å; K403-M407 PolarHBondContact O-N 3.4Å; M407-C409 VanDerWaalsContact CB-SG 3.58Å; M407-C409 PolarHBondContact O-N 3.39Å; M407-L473 HydrophobicContact CE-CD2 3.72Å; M407-L473 HydrophobicContact SD-CD2 3.98Å |
| 408 | R | 73.2 | Confident | 87.3 | Confident | 236 Ų | 236 | 56.9 Ų | 56.9 | 89% | 0.891 | 26% | 0.262 | S | S | * | . | trans | -75.8 | 63.1 | -179.5 | -67 | -176.4 | 177.3 | -178.8 | 0.5 | 112.4 | ||||
| 409 | C | 74.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 62 Ų | 62 | 27% | 0.27 | 28% | 0.284 | S | S | . | . | trans | -74.3 | 132.9 | -173.3 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | S379 M407 Y411 | S379-C409 WeakPolarHBondContact O-CA 3.24Å; S379-C409 WeakPolarHBondContact O-CB 3.44Å; S379-C409 PolarHBondContact O-SG 3.32Å; M407-C409 VanDerWaalsContact CB-SG 3.58Å; M407-C409 PolarHBondContact O-N 3.39Å; C409-Y411 PolarHBondContact O-N 2.61Å | ||
| 410 | A | 78.2 | Confident | 87.6 | Confident | 37 Ų | 37 | 62 Ų | 62 | 31% | 0.306 | 28% | 0.284 | S | S | . | . | trans | -93.4 | 94.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R412 S413 V414 | A410-R412 PolarHBondContact O-N 3.2Å; A410-S413 VanDerWaalsContact CB-OG 3.29Å; A410-S413 WeakPolarHBondContact CB-OG 3.3Å; A410-S413 PolarHBondContact O-N 3.06Å; A410-S413 PolarHBondContact O-OG 3.04Å; A410-V414 PolarHBondContact O-N 3.43Å; A410-V414 VanDerWaalsContact O-N 3.1Å | ||
| 411 | Y | 85.5 | Confident | 87.7 | Confident | 147 Ų | 147 | 58.6 Ų | 58.6 | 58% | 0.576 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -54.7 | -34.6 | -169.6 | -165.6 | -106 | 0 | 0 | 0 | 114.6 | C409 S413 V414 L415 | C409-Y411 PolarHBondContact O-N 2.61Å; Y411-S413 PolarHBondContact O-N 2.92Å; Y411-V414 PolarHBondContact O-N 3.38Å; Y411-L415 HydrophobicContact CD1-CD1 3.82Å; Y411-L415 HydrophobicContact CD1-CG 4.04Å; Y411-L415 HydrophobicContact CE1-CD1 3.5Å; Y411-L415 HydrophobicContact CE1-CD2 3.99Å; Y411-L415 HydrophobicContact CE1-CG 3.77Å; Y411-L415 WeakPolarHBondContact O-CG 3.47Å; Y411-L415 PolarHBondContact O-N 2.97Å |
| 412 | R | 90.7 | Very high | 87.7 | Confident | 217 Ų | 217 | 58.9 Ų | 58.9 | 82% | 0.819 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.4 | -38.2 | 178.1 | -67.3 | -174.2 | -176.1 | -170.9 | 0.9 | 113.3 | A410 R416 | A410-R412 PolarHBondContact O-N 3.2Å; R412-R416 WeakPolarHBondContact O-CG 3.33Å; R412-R416 PolarHBondContact O-NE 2.95Å |
| 413 | S | 92.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -76.2 | -37.6 | 175.9 | 44.6 | 0 | 0 | 0 | 0 | 111 | M378 A410 Y411 L415 R416 L417 | M378-S413 WeakPolarHBondContact CE-O 2.95Å; M378-S413 WeakPolarHBondContact O-CB 3.39Å; M378-S413 PolarHBondContact O-OG 3.29Å; A410-S413 VanDerWaalsContact CB-OG 3.29Å; A410-S413 WeakPolarHBondContact CB-OG 3.3Å; A410-S413 PolarHBondContact O-N 3.06Å; A410-S413 PolarHBondContact O-OG 3.04Å; Y411-S413 PolarHBondContact O-N 2.92Å; S413-L415 VanDerWaalsContact C-N 3.34Å; S413-L415 PolarHBondContact O-N 3.33Å; S413-R416 PolarHBondContact O-N 3.09Å; S413-L417 PolarHBondContact O-N 3.11Å |
| 414 | V | 94.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.8 | -48.8 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | M378 A410 Y411 R416 L417 K418 F470 F474 | M378-V414 PolarHBondContact O-N 3.33Å; A410-V414 PolarHBondContact O-N 3.43Å; A410-V414 VanDerWaalsContact O-N 3.1Å; Y411-V414 PolarHBondContact O-N 3.38Å; V414-R416 VanDerWaalsContact C-N 3.27Å; V414-R416 PolarHBondContact O-N 2.75Å; V414-L417 PolarHBondContact O-N 3.45Å; V414-K418 WeakPolarHBondContact O-CB 3.29Å; V414-K418 PolarHBondContact O-N 2.9Å; V414-F470 HydrophobicContact CG1-CE2 4.13Å; V414-F470 HydrophobicContact CG1-CZ 4.48Å; V414-F474 HydrophobicContact CG1-CB 4.31Å; V414-F474 HydrophobicContact CG1-CD1 3.49Å; V414-F474 VanDerWaalsContact CG1-CD1 3.49Å; V414-F474 HydrophobicContact CG1-CD2 3.73Å; V414-F474 HydrophobicContact CG1-CE1 3.58Å; V414-F474 HydrophobicContact CG1-CE2 3.79Å; V414-F474 HydrophobicContact CG1-CG 3.57Å; V414-F474 HydrophobicContact CG1-CZ 3.72Å; V414-F474 HydrophobicContact CG2-CE1 4.42Å; V414-F474 HydrophobicContact CG2-CE2 4.21Å; V414-F474 HydrophobicContact CG2-CZ 3.95Å |
| 415 | L | 94.4 | Very high | 86.6 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 31% | 0.314 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | -179.9 | -73.9 | -179.4 | 0 | 0 | 0 | 112.6 | Y411 S413 Q419 | Y411-L415 HydrophobicContact CD1-CD1 3.82Å; Y411-L415 HydrophobicContact CD1-CG 4.04Å; Y411-L415 HydrophobicContact CE1-CD1 3.5Å; Y411-L415 HydrophobicContact CE1-CD2 3.99Å; Y411-L415 HydrophobicContact CE1-CG 3.77Å; Y411-L415 WeakPolarHBondContact O-CG 3.47Å; Y411-L415 PolarHBondContact O-N 2.97Å; S413-L415 VanDerWaalsContact C-N 3.34Å; S413-L415 PolarHBondContact O-N 3.33Å; L415-Q419 WeakPolarHBondContact O-CB 3.04Å; L415-Q419 VanDerWaalsContact O-CG 3.23Å; L415-Q419 WeakPolarHBondContact O-CG 3.35Å; L415-Q419 PolarHBondContact O-N 3.18Å |
| 416 | R | 94.1 | Very high | 86.9 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.5 | -45.5 | 178 | -67.6 | -178.3 | -66.1 | 135 | -10.2 | 111.4 | F342 K343 Y345 Y346 I349 M378 R412 S413 V414 Q419 A420 | F342-R416 PolarHBondContact O-NH1 3.49Å; F342-R416 PolarHBondContact O-NH2 3.2Å; K343-R416 PolarHBondContact O-NH2 3.35Å; Y345-R416 VanDerWaalsContact C-NH1 3.34Å; Y345-R416 PolarHBondContact O-NH1 3.29Å; Y346-R416 HydrophobicContact CD2-CG 4.2Å; Y346-R416 HydrophobicContact CE2-CG 4.07Å; I349-R416 HydrophobicContact CD1-CB 4.48Å; M378-R416 HydrophobicContact CE-CB 4.2Å; R412-R416 WeakPolarHBondContact O-CG 3.33Å; R412-R416 PolarHBondContact O-NE 2.95Å; S413-R416 PolarHBondContact O-N 3.09Å; V414-R416 VanDerWaalsContact C-N 3.27Å; V414-R416 PolarHBondContact O-N 2.75Å; R416-Q419 PolarHBondContact O-N 3.15Å; R416-A420 PolarHBondContact O-N 3Å |
| 417 | L | 95.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.4 | -177.7 | 57.3 | 0 | 0 | 0 | 111.3 | I349 V374 V375 M378 S413 V414 A420 I421 F470 | I349-L417 HydrophobicContact CG2-CD1 4.25Å; V374-L417 HydrophobicContact CG1-CD1 4.18Å; V375-L417 HydrophobicContact CG2-CD2 4.26Å; M378-L417 HydrophobicContact CB-CD2 4.08Å; M378-L417 HydrophobicContact CE-CB 4.01Å; M378-L417 HydrophobicContact SD-CB 4.05Å; M378-L417 HydrophobicContact SD-CD1 4.34Å; M378-L417 HydrophobicContact SD-CD2 4.42Å; S413-L417 PolarHBondContact O-N 3.11Å; V414-L417 PolarHBondContact O-N 3.45Å; L417-A420 PolarHBondContact O-N 2.92Å; L417-I421 HydrophobicContact CD1-CD1 3.66Å; L417-I421 HydrophobicContact CD1-CG1 4.09Å; L417-I421 HydrophobicContact CD2-CD1 4.44Å; L417-I421 HydrophobicContact CG-CD1 3.65Å; L417-I421 HydrophobicContact CG-CG1 4.48Å; L417-I421 WeakPolarHBondContact O-CB 3.38Å; L417-I421 VanDerWaalsContact O-CG1 3.29Å; L417-I421 WeakPolarHBondContact O-CG1 3.34Å; L417-I421 PolarHBondContact O-N 3.49Å; L417-F470 HydrophobicContact CB-CE2 4.38Å; L417-F470 HydrophobicContact CB-CZ 4.07Å; L417-F470 HydrophobicContact CD2-CD2 4.18Å; L417-F470 HydrophobicContact CD2-CE2 3.7Å; L417-F470 HydrophobicContact CD2-CZ 3.94Å; L417-F470 HydrophobicContact CG-CE1 4.35Å; L417-F470 HydrophobicContact CG-CE2 4.09Å; L417-F470 HydrophobicContact CG-CZ 3.8Å |
| 418 | K | 95.2 | Very high | 88.1 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.4 | -51 | 174.4 | 175.5 | -179.3 | 176.2 | 170.8 | 0 | 110.8 | V414 A420 I421 M422 F470 F474 | V414-K418 WeakPolarHBondContact O-CB 3.29Å; V414-K418 PolarHBondContact O-N 2.9Å; K418-A420 VanDerWaalsContact C-N 3.33Å; K418-A420 PolarHBondContact O-N 2.89Å; K418-I421 PolarHBondContact O-N 3.45Å; K418-M422 HydrophobicContact CD-SD 4.24Å; K418-M422 VanDerWaalsContact CE-SD 3.53Å; K418-M422 HydrophobicContact CG-CG 4.27Å; K418-M422 HydrophobicContact CG-SD 3.69Å; K418-M422 WeakPolarHBondContact O-CB 3.43Å; K418-M422 WeakPolarHBondContact O-CG 3.33Å; K418-M422 PolarHBondContact O-N 2.79Å; K418-F470 HydrophobicContact CB-CE1 4.49Å; K418-F470 HydrophobicContact CB-CZ 4.14Å; K418-F474 VanDerWaalsContact CD-O 3.29Å; K418-F474 WeakPolarHBondContact CD-O 3.44Å; K418-F474 WeakPolarHBondContact CE-O 3.42Å; K418-F474 PolarHBondContact NZ-O 2.77Å |
| 419 | Q | 93.1 | Very high | 88.9 | Confident | 109 Ų | 109 | 55 Ų | 55 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 179.8 | -77.8 | 173 | -13.7 | 0 | 0 | 112.2 | L415 R416 M422 Q423 | L415-Q419 WeakPolarHBondContact O-CB 3.04Å; L415-Q419 VanDerWaalsContact O-CG 3.23Å; L415-Q419 WeakPolarHBondContact O-CG 3.35Å; L415-Q419 PolarHBondContact O-N 3.18Å; R416-Q419 PolarHBondContact O-N 3.15Å; Q419-M422 PolarHBondContact O-N 3Å; Q419-Q423 WeakPolarHBondContact O-CG 3.42Å |
| 420 | A | 92.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -48.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I349 L353 R416 L417 K418 M422 Q423 L426 | I349-A420 HydrophobicContact CB-CB 4.05Å; L353-A420 HydrophobicContact CD1-CB 4.08Å; R416-A420 PolarHBondContact O-N 3Å; L417-A420 PolarHBondContact O-N 2.92Å; K418-A420 VanDerWaalsContact C-N 3.33Å; K418-A420 PolarHBondContact O-N 2.89Å; A420-M422 VanDerWaalsContact C-N 3.27Å; A420-M422 PolarHBondContact O-N 2.67Å; A420-Q423 PolarHBondContact O-N 2.82Å; A420-L426 WeakPolarHBondContact O-CD1 3.43Å |
| 421 | I | 93 | Very high | 90.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -32 | 179.3 | -69.6 | 165.2 | 0 | 0 | 0 | 112.1 | L353 L417 K418 Q423 I427 F467 F470 L471 | L353-I421 HydrophobicContact CD1-CG1 3.69Å; L417-I421 HydrophobicContact CD1-CD1 3.66Å; L417-I421 HydrophobicContact CD1-CG1 4.09Å; L417-I421 HydrophobicContact CD2-CD1 4.44Å; L417-I421 HydrophobicContact CG-CD1 3.65Å; L417-I421 HydrophobicContact CG-CG1 4.48Å; L417-I421 WeakPolarHBondContact O-CB 3.38Å; L417-I421 VanDerWaalsContact O-CG1 3.29Å; L417-I421 WeakPolarHBondContact O-CG1 3.34Å; L417-I421 PolarHBondContact O-N 3.49Å; K418-I421 PolarHBondContact O-N 3.45Å; I421-Q423 PolarHBondContact O-N 2.83Å; I421-I427 HydrophobicContact CG2-CD1 4.21Å; I421-I427 HydrophobicContact CG2-CG1 3.38Å; I421-F467 HydrophobicContact CD1-CE2 3.61Å; I421-F467 HydrophobicContact CD1-CZ 4.23Å; I421-F467 HydrophobicContact CG1-CE2 4.13Å; I421-F467 HydrophobicContact CG1-CZ 4.45Å; I421-F467 HydrophobicContact CG2-CE2 4.39Å; I421-F467 HydrophobicContact CG2-CZ 3.94Å; I421-F470 HydrophobicContact CD1-CD1 3.98Å; I421-F470 HydrophobicContact CD1-CE1 3.59Å; I421-F470 HydrophobicContact CD1-CZ 4.3Å; I421-L471 HydrophobicContact CG2-CD2 4.03Å |
| 422 | M | 90.1 | Very high | 91.1 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 26% | 0.261 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.8 | 179.9 | -75 | -177.2 | 73 | 0 | 0 | 113.9 | K418 Q419 A420 I427 E479 R483 | K418-M422 HydrophobicContact CD-SD 4.24Å; K418-M422 VanDerWaalsContact CE-SD 3.53Å; K418-M422 HydrophobicContact CG-CG 4.27Å; K418-M422 HydrophobicContact CG-SD 3.69Å; K418-M422 WeakPolarHBondContact O-CB 3.43Å; K418-M422 WeakPolarHBondContact O-CG 3.33Å; K418-M422 PolarHBondContact O-N 2.79Å; Q419-M422 PolarHBondContact O-N 3Å; A420-M422 VanDerWaalsContact C-N 3.27Å; A420-M422 PolarHBondContact O-N 2.67Å; M422-I427 HydrophobicContact CG-CD1 4.37Å; M422-E479 HydrophobicContact CE-CG 3.91Å; M422-R483 PolarHBondContact O-NH1 2.8Å; M422-R483 VanDerWaalsContact O-NH1 3.12Å; M422-R483 PolarHBondContact O-NH2 2.8Å |
| 423 | Q | 85.1 | Confident | 91.2 | Very high | 94 Ų | 94 | 39.8 Ų | 39.8 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -90.6 | 160.3 | 177.6 | -64.5 | 178.1 | 23.8 | 0 | 0 | 112 | E350 Q419 A420 I421 D425 L426 | E350-Q423 PolarHBondContact OE2-OE1 3.1Å; Q419-Q423 WeakPolarHBondContact O-CG 3.42Å; A420-Q423 PolarHBondContact O-N 2.82Å; I421-Q423 PolarHBondContact O-N 2.83Å; Q423-D425 VanDerWaalsContact C-N 3.27Å; Q423-D425 PolarHBondContact O-N 2.97Å; Q423-L426 WeakPolarHBondContact O-CG 3.21Å; Q423-L426 PolarHBondContact O-N 3.38Å; Q423-L426 VanDerWaalsContact O-N 3.13Å |
| 424 | K | 73.8 | Confident | 91.3 | Very high | 108 Ų | 108 | 39.7 Ų | 39.7 | 47% | 0.47 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 41 | 169.8 | -62 | -171.7 | 178.8 | 169.8 | 0 | 115.6 | E216 E350 L426 | E216-K424 IonicContact OE1-NZ 2.79Å; E216-K424 PolarHBondContact OE1-NZ 3.4Å; E350-K424 WeakPolarHBondContact OE1-CD 3.44Å; E350-K424 WeakPolarHBondContact OE1-CE 3.45Å; E350-K424 IonicContact OE1-NZ 2.78Å; E350-K424 PolarHBondContact OE1-NZ 2.94Å; K424-L426 PolarHBondContact O-N 3.43Å |
| 425 | D | 82.8 | Confident | 91.3 | Very high | 105 Ų | 105 | 39.8 Ų | 39.8 | 56% | 0.561 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 26.1 | 179.3 | -59.8 | -38.4 | 0 | 0 | 0 | 115.4 | Q423 I427 V428 N429 | Q423-D425 VanDerWaalsContact C-N 3.27Å; Q423-D425 PolarHBondContact O-N 2.97Å; D425-I427 VanDerWaalsContact C-N 3.26Å; D425-I427 PolarHBondContact O-N 3.32Å; D425-V428 PolarHBondContact O-N 3.31Å; D425-N429 PolarHBondContact O-N 2.78Å; D425-N429 PolarHBondContact O-ND2 2.74Å |
| 426 | L | 89 | Confident | 91.2 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -30.2 | -175.4 | -70.8 | 170.8 | 0 | 0 | 0 | 112.9 | L353 A420 Q423 K424 L430 | L353-L426 HydrophobicContact CB-CD1 3.95Å; L353-L426 HydrophobicContact CB-CD2 4.33Å; L353-L426 HydrophobicContact CD1-CD1 3.99Å; A420-L426 WeakPolarHBondContact O-CD1 3.43Å; Q423-L426 WeakPolarHBondContact O-CG 3.21Å; Q423-L426 PolarHBondContact O-N 3.38Å; Q423-L426 VanDerWaalsContact O-N 3.13Å; K424-L426 PolarHBondContact O-N 3.43Å; L426-L430 HydrophobicContact CB-CD1 4.44Å; L426-L430 VanDerWaalsContact O-CB 3.28Å; L426-L430 WeakPolarHBondContact O-CB 3.35Å; L426-L430 VanDerWaalsContact O-CG 3.31Å; L426-L430 WeakPolarHBondContact O-CG 3.34Å; L426-L430 PolarHBondContact O-N 3.45Å |
| 427 | I | 90 | Very high | 91 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.9 | -58.5 | 177.1 | -66.6 | 176.2 | 0 | 0 | 0 | 111 | I421 M422 D425 C431 L471 I484 | I421-I427 HydrophobicContact CG2-CD1 4.21Å; I421-I427 HydrophobicContact CG2-CG1 3.38Å; M422-I427 HydrophobicContact CG-CD1 4.37Å; D425-I427 VanDerWaalsContact C-N 3.26Å; D425-I427 PolarHBondContact O-N 3.32Å; I427-C431 WeakPolarHBondContact O-CB 3.24Å; I427-C431 PolarHBondContact O-N 3.49Å; I427-C431 VanDerWaalsContact O-N 3.13Å; I427-L471 HydrophobicContact CD1-CD2 4.33Å; I427-L471 HydrophobicContact CG1-CD2 4.09Å; I427-L471 HydrophobicContact CG2-CD1 3.83Å; I427-L471 HydrophobicContact CG2-CD2 4.29Å; I427-I484 HydrophobicContact CG2-CD1 3.73Å; I427-I484 HydrophobicContact CG2-CG1 4.12Å |
| 428 | V | 90.8 | Very high | 90.8 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 21% | 0.212 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.3 | -45.4 | -175.8 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | D425 L430 C431 V432 R483 I484 | D425-V428 PolarHBondContact O-N 3.31Å; V428-L430 PolarHBondContact O-N 3.01Å; V428-C431 PolarHBondContact O-N 3.47Å; V428-V432 HydrophobicContact CG1-CG2 3.95Å; V428-V432 VanDerWaalsContact O-CB 3.29Å; V428-V432 WeakPolarHBondContact O-CB 3.43Å; V428-V432 VanDerWaalsContact O-CG2 3.3Å; V428-V432 WeakPolarHBondContact O-CG2 3.39Å; V428-V432 PolarHBondContact O-N 2.99Å; V428-R483 HydrophobicContact CG2-CB 4.42Å; V428-R483 WeakPolarHBondContact CG2-O 3.39Å; V428-I484 HydrophobicContact CG2-CD1 4.25Å |
| 429 | N | 91.7 | Very high | 90.3 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 32% | 0.321 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.1 | -50.9 | -180 | -77.3 | -50 | 0 | 0 | 0 | 111.8 | D425 R433 | D425-N429 PolarHBondContact O-N 2.78Å; D425-N429 PolarHBondContact O-ND2 2.74Å; N429-R433 WeakPolarHBondContact O-CB 3.43Å; N429-R433 WeakPolarHBondContact O-CG 3.05Å; N429-R433 PolarHBondContact O-N 2.75Å |
| 430 | L | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | -179.3 | -72.1 | 169.2 | 0 | 0 | 0 | 112.1 | L353 V356 C357 L371 L426 V428 M434 F467 | L353-L430 HydrophobicContact CD2-CD1 4.25Å; V356-L430 HydrophobicContact CB-CD2 4.38Å; V356-L430 HydrophobicContact CG1-CD2 3.92Å; C357-L430 WeakPolarHBondContact SG-CD2 3.48Å; L371-L430 HydrophobicContact CD2-CD2 4.3Å; L426-L430 HydrophobicContact CB-CD1 4.44Å; L426-L430 VanDerWaalsContact O-CB 3.28Å; L426-L430 WeakPolarHBondContact O-CB 3.35Å; L426-L430 VanDerWaalsContact O-CG 3.31Å; L426-L430 WeakPolarHBondContact O-CG 3.34Å; L426-L430 PolarHBondContact O-N 3.45Å; V428-L430 PolarHBondContact O-N 3.01Å; L430-M434 HydrophobicContact CB-CE 4.23Å; L430-M434 WeakPolarHBondContact O-CB 3.25Å; L430-M434 VanDerWaalsContact O-CE 3.29Å; L430-M434 WeakPolarHBondContact O-CE 3.43Å; L430-M434 WeakPolarHBondContact O-CG 3.37Å; L430-M434 PolarHBondContact O-N 3.04Å; L430-F467 HydrophobicContact CB-CD1 4.44Å; L430-F467 HydrophobicContact CB-CE1 3.76Å; L430-F467 HydrophobicContact CB-CZ 3.88Å; L430-F467 HydrophobicContact CD1-CE1 4.34Å; L430-F467 HydrophobicContact CD1-CE2 3.84Å; L430-F467 HydrophobicContact CD1-CZ 3.57Å; L430-F467 HydrophobicContact CG-CZ 4.38Å |
| 431 | C | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -53.8 | 179.3 | -77.8 | 0 | 0 | 0 | 0 | 112.3 | I427 V428 R433 A435 L471 I484 L504 | I427-C431 WeakPolarHBondContact O-CB 3.24Å; I427-C431 PolarHBondContact O-N 3.49Å; I427-C431 VanDerWaalsContact O-N 3.13Å; V428-C431 PolarHBondContact O-N 3.47Å; C431-R433 VanDerWaalsContact C-N 3.34Å; C431-R433 PolarHBondContact O-N 3.26Å; C431-A435 WeakPolarHBondContact O-CB 3.5Å; C431-A435 PolarHBondContact O-N 3.1Å; C431-L471 VanDerWaalsContact SG-CD1 3.58Å; C431-I484 HydrophobicContact CB-CD1 4.4Å; C431-L504 HydrophobicContact CB-CD1 4.17Å; C431-L504 HydrophobicContact CB-CD2 4.03Å |
| 432 | V | 93.8 | Very high | 88.8 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | -176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | V428 A435 A436 L490 C494 L496 | V428-V432 HydrophobicContact CG1-CG2 3.95Å; V428-V432 VanDerWaalsContact O-CB 3.29Å; V428-V432 WeakPolarHBondContact O-CB 3.43Å; V428-V432 VanDerWaalsContact O-CG2 3.3Å; V428-V432 WeakPolarHBondContact O-CG2 3.39Å; V428-V432 PolarHBondContact O-N 2.99Å; V432-A435 PolarHBondContact O-N 3.15Å; V432-A436 VanDerWaalsContact O-CB 3.25Å; V432-A436 WeakPolarHBondContact O-CB 3.39Å; V432-A436 PolarHBondContact O-N 3.43Å; V432-L490 HydrophobicContact CG2-CD2 4.13Å; V432-C494 HydrophobicContact CG1-CB 3.74Å; V432-L496 HydrophobicContact CG1-CD1 4.47Å; V432-L496 HydrophobicContact CG1-CD2 4.42Å; V432-L496 HydrophobicContact CG2-CD1 4.43Å |
| 433 | R | 93.3 | Very high | 88 | Confident | 106 Ų | 106 | 47.5 Ų | 47.5 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.7 | -42.2 | -178.7 | -62.2 | -72.5 | 177.1 | -169.8 | -1 | 112.2 | L360 L361 N429 C431 A435 R437 | L360-R433 HydrophobicContact CB-CB 4Å; L360-R433 HydrophobicContact CD1-CB 3.87Å; L361-R433 VanDerWaalsContact CD2-CZ 3.44Å; N429-R433 WeakPolarHBondContact O-CB 3.43Å; N429-R433 WeakPolarHBondContact O-CG 3.05Å; N429-R433 PolarHBondContact O-N 2.75Å; C431-R433 VanDerWaalsContact C-N 3.34Å; C431-R433 PolarHBondContact O-N 3.26Å; R433-A435 VanDerWaalsContact C-N 3.34Å; R433-R437 WeakPolarHBondContact O-CB 3.45Å; R433-R437 PolarHBondContact O-N 3.47Å |
| 434 | M | 95.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 172.3 | -73.7 | -173.2 | -72.1 | 0 | 0 | 111.1 | L360 L368 L371 L430 R437 R438 T463 L464 F467 | L360-M434 HydrophobicContact CD1-CG 3.78Å; L360-M434 HydrophobicContact CD2-CG 4.49Å; L368-M434 HydrophobicContact CD1-CG 4.43Å; L368-M434 HydrophobicContact CD2-CG 3.9Å; L368-M434 HydrophobicContact CD2-SD 3.92Å; L371-M434 HydrophobicContact CD2-CE 4.1Å; L371-M434 HydrophobicContact CD2-SD 3.88Å; L430-M434 HydrophobicContact CB-CE 4.23Å; L430-M434 WeakPolarHBondContact O-CB 3.25Å; L430-M434 VanDerWaalsContact O-CE 3.29Å; L430-M434 WeakPolarHBondContact O-CE 3.43Å; L430-M434 WeakPolarHBondContact O-CG 3.37Å; L430-M434 PolarHBondContact O-N 3.04Å; M434-R437 PolarHBondContact O-N 3.43Å; M434-R438 PolarHBondContact O-N 2.77Å; M434-R438 VanDerWaalsContact O-N 3.1Å; M434-T463 HydrophobicContact SD-CG2 3.89Å; M434-L464 HydrophobicContact CB-CB 4.21Å; M434-L464 HydrophobicContact CB-CD1 4.09Å; M434-L464 HydrophobicContact CE-CD1 4.18Å; M434-L464 HydrophobicContact SD-CB 4.41Å; M434-F467 HydrophobicContact CE-CB 3.87Å; M434-F467 HydrophobicContact CE-CD1 3.71Å; M434-F467 HydrophobicContact CE-CE1 4.47Å; M434-F467 HydrophobicContact CE-CG 3.9Å |
| 435 | A | 94.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -48.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C431 V432 R433 R437 P439 L464 L496 V500 L504 | C431-A435 WeakPolarHBondContact O-CB 3.5Å; C431-A435 PolarHBondContact O-N 3.1Å; V432-A435 PolarHBondContact O-N 3.15Å; R433-A435 VanDerWaalsContact C-N 3.34Å; A435-R437 VanDerWaalsContact C-N 3.3Å; A435-R437 PolarHBondContact O-N 3.41Å; A435-P439 WeakPolarHBondContact O-CD 3.49Å; A435-L464 HydrophobicContact CB-CD2 4.3Å; A435-L496 HydrophobicContact CB-CD1 3.87Å; A435-L496 HydrophobicContact CB-CD2 3.66Å; A435-L496 HydrophobicContact CB-CG 4.37Å; A435-V500 HydrophobicContact CB-CB 4.48Å; A435-V500 HydrophobicContact CB-CG1 3.42Å; A435-V500 VanDerWaalsContact CB-CG1 3.42Å; A435-L504 HydrophobicContact CB-CD1 4.48Å |
| 436 | A | 91.9 | Very high | 84.5 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.4 | -27.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V432 L496 | V432-A436 VanDerWaalsContact O-CB 3.25Å; V432-A436 WeakPolarHBondContact O-CB 3.39Å; V432-A436 PolarHBondContact O-N 3.43Å; A436-L496 HydrophobicContact CB-CD2 3.73Å |
| 437 | R | 90.1 | Very high | 82.7 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 3% | 0.034 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -76.5 | -39 | 179.3 | -175 | 64.4 | -174.9 | 143 | 12.3 | 112.1 | L360 D363 S365 R433 M434 A435 R440 I441 S444 | L360-R437 HydrophobicContact CD2-CB 4.41Å; L360-R437 HydrophobicContact CD2-CG 4.35Å; D363-R437 VanDerWaalsContact CB-CZ 3.42Å; D363-R437 VanDerWaalsContact CB-NH1 3.33Å; D363-R437 PolarHBondContact O-NE 3.41Å; D363-R437 PolarHBondContact O-NH2 3.08Å; D363-R437 WeakPolarHBondContact OD1-CD 3.44Å; D363-R437 IonicContact OD1-CZ 3.69Å; D363-R437 IonicContact OD1-NE 3.96Å; D363-R437 IonicContact OD1-NH1 2.9Å; D363-R437 PolarHBondContact OD1-NH1 3.37Å; D363-R437 IonicContact OD2-NH1 3.73Å; S365-R437 WeakPolarHBondContact OG-CG 3.31Å; S365-R437 PolarHBondContact OG-NE 3.29Å; S365-R437 VanDerWaalsContact OG-NE 3.11Å; R433-R437 WeakPolarHBondContact O-CB 3.45Å; R433-R437 PolarHBondContact O-N 3.47Å; M434-R437 PolarHBondContact O-N 3.43Å; A435-R437 VanDerWaalsContact C-N 3.3Å; A435-R437 PolarHBondContact O-N 3.41Å; R437-R440 WeakPolarHBondContact O-CA 2.9Å; R437-R440 WeakPolarHBondContact O-CB 3.35Å; R437-R440 PolarHBondContact O-N 3.37Å; R437-I441 HydrophobicContact CG-CD1 4.49Å; R437-I441 HydrophobicContact CG-CG1 4.27Å; R437-I441 PolarHBondContact O-N 3.17Å; R437-S444 PolarHBondContact NH1-OG 2.84Å; R437-S444 PolarHBondContact NH2-OG 3.02Å |
| 438 | R | 90.1 | Very high | 81.2 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 6% | 0.06 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -41 | -61 | -176.8 | 179.1 | -163.9 | 71.1 | 129.9 | -11.9 | 114.3 | M434 R440 I441 Y457 D497 D499 V500 | M434-R438 PolarHBondContact O-N 2.77Å; M434-R438 VanDerWaalsContact O-N 3.1Å; R438-R440 VanDerWaalsContact C-N 3.28Å; R438-R440 PolarHBondContact O-N 2.63Å; R438-I441 PolarHBondContact O-N 3.23Å; R438-Y457 HydrophobicContact CG-CD2 3.83Å; R438-Y457 HydrophobicContact CG-CE2 3.41Å; R438-Y457 VanDerWaalsContact CG-CE2 3.41Å; R438-Y457 PolarHBondContact NH1-OH 2.76Å; R438-Y457 WeakPolarHBondContact O-CD2 3.11Å; R438-D497 IonicContact CZ-OD2 3.41Å; R438-D497 IonicContact NH2-OD2 3.21Å; R438-D497 PolarHBondContact NH2-OD2 3.35Å; R438-D499 IonicContact CZ-OD2 3.95Å; R438-D499 IonicContact NH1-OD2 3.4Å; R438-D499 PolarHBondContact NH1-OD2 3.29Å; R438-D499 IonicContact NH2-OD1 3.92Å; R438-D499 PolarHBondContact NH2-OD1 2.83Å; R438-D499 IonicContact NH2-OD2 2.84Å; R438-D499 PolarHBondContact NH2-OD2 3.14Å; R438-D499 VanDerWaalsContact NH2-OD2 3.15Å; R438-V500 VanDerWaalsContact NH2-CG2 3.3Å |
| 439 | P | 85.3 | Confident | 80.2 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.7 | -25.4 | -178 | 27.5 | -35.8 | 0 | 0 | 0 | 113.2 | A435 Y443 | A435-P439 WeakPolarHBondContact O-CD 3.49Å; P439-Y443 VanDerWaalsContact O-CD2 3.31Å; P439-Y443 WeakPolarHBondContact O-CD2 3.23Å |
| 440 | R | 85.4 | Confident | 79.2 | Confident | 122 Ų | 122 | 57 Ų | 57 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.6 | -23.9 | -178.2 | -62.2 | -177.9 | -172.8 | 178.7 | 2.5 | 113.3 | R437 R438 V442 Y443 S444 | R437-R440 WeakPolarHBondContact O-CA 2.9Å; R437-R440 WeakPolarHBondContact O-CB 3.35Å; R437-R440 PolarHBondContact O-N 3.37Å; R438-R440 VanDerWaalsContact C-N 3.28Å; R438-R440 PolarHBondContact O-N 2.63Å; R440-V442 PolarHBondContact O-N 3.44Å; R440-Y443 PolarHBondContact O-N 3.49Å; R440-S444 PolarHBondContact O-N 3.09Å; R440-S444 PolarHBondContact O-OG 3.21Å; R440-S444 VanDerWaalsContact O-OG 3.13Å |
| 441 | I | 84 | Confident | 78.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -52.7 | -45.6 | 178.4 | -69.8 | 170.5 | 0 | 0 | 0 | 110.2 | R437 R438 Y443 S444 E445 M456 C460 | R437-I441 HydrophobicContact CG-CD1 4.49Å; R437-I441 HydrophobicContact CG-CG1 4.27Å; R437-I441 PolarHBondContact O-N 3.17Å; R438-I441 PolarHBondContact O-N 3.23Å; I441-Y443 PolarHBondContact O-N 2.87Å; I441-S444 PolarHBondContact O-N 3.1Å; I441-E445 HydrophobicContact CG2-CG 4.48Å; I441-E445 WeakPolarHBondContact O-CB 3.32Å; I441-E445 PolarHBondContact O-N 2.9Å; I441-E445 VanDerWaalsContact O-N 3.09Å; I441-M456 HydrophobicContact CG2-CB 3.67Å; I441-C460 HydrophobicContact CD1-CB 3.48Å; I441-C460 VanDerWaalsContact CD1-CB 3.48Å |
| 442 | V | 77.9 | Confident | 77.3 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 47% | 0.467 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.7 | -32.2 | 179.4 | -174 | 0 | 0 | 0 | 0 | 112.5 | R440 Y457 | R440-V442 PolarHBondContact O-N 3.44Å; V442-Y457 HydrophobicContact CG2-CD2 4.21Å |
| 443 | Y | 73.3 | Confident | 76.6 | Confident | 186 Ų | 186 | 61.1 Ų | 61.1 | 73% | 0.729 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -96.1 | -37.1 | -177.6 | -59.3 | -72.9 | 0 | 0 | 0 | 114 | P439 R440 I441 A446 | P439-Y443 VanDerWaalsContact O-CD2 3.31Å; P439-Y443 WeakPolarHBondContact O-CD2 3.23Å; R440-Y443 PolarHBondContact O-N 3.49Å; I441-Y443 PolarHBondContact O-N 2.87Å; Y443-A446 WeakPolarHBondContact O-CB 3.27Å |
| 444 | S | 66.8 | Low | 76 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -76.8 | -31.6 | -177.6 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | R437 R440 I441 A446 | R437-S444 PolarHBondContact NH1-OG 2.84Å; R437-S444 PolarHBondContact NH2-OG 3.02Å; R440-S444 PolarHBondContact O-N 3.09Å; R440-S444 PolarHBondContact O-OG 3.21Å; R440-S444 VanDerWaalsContact O-OG 3.13Å; I441-S444 PolarHBondContact O-N 3.1Å; S444-A446 PolarHBondContact O-N 3.37Å |
| 445 | E | 56.9 | Low | 75.3 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 14 | 177.3 | -63.9 | -172.5 | 174.9 | 0 | 0 | 112 | I441 I447 M448 M456 | I441-E445 HydrophobicContact CG2-CG 4.48Å; I441-E445 WeakPolarHBondContact O-CB 3.32Å; I441-E445 PolarHBondContact O-N 2.9Å; I441-E445 VanDerWaalsContact O-N 3.09Å; E445-I447 PolarHBondContact O-N 2.93Å; E445-M448 HydrophobicContact CB-CE 3.54Å; E445-M448 HydrophobicContact CG-CE 3.5Å; E445-M448 WeakPolarHBondContact O-CB 3.31Å; E445-M448 PolarHBondContact O-N 3.07Å; E445-M448 WeakPolarHBondContact OE2-CE 3.25Å; E445-M456 WeakPolarHBondContact OE2-CG 3.3Å |
| 446 | A | 44.6 | Very low | 74.8 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 65% | 0.645 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 4.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y443 S444 | Y443-A446 WeakPolarHBondContact O-CB 3.27Å; S444-A446 PolarHBondContact O-N 3.37Å |
| 447 | I | 50.6 | Low | 74.6 | Confident | 173 Ų | 173 | 61.3 Ų | 61.3 | 89% | 0.887 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.6 | 168.2 | -53.6 | 175 | 0 | 0 | 0 | 111.1 | E445 | E445-I447 PolarHBondContact O-N 2.93Š|
| 448 | M | 58.8 | Low | 74.6 | Confident | 68 Ų | 68 | 61 Ų | 61 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -110.1 | 158.6 | -177.2 | -60.4 | -163.1 | -69.9 | 0 | 0 | 112.9 | L320 E445 V452 | L320-M448 HydrophobicContact CD1-CE 4.24Å; L320-M448 HydrophobicContact CD1-SD 4.09Å; E445-M448 HydrophobicContact CB-CE 3.54Å; E445-M448 HydrophobicContact CG-CE 3.5Å; E445-M448 WeakPolarHBondContact O-CB 3.31Å; E445-M448 PolarHBondContact O-N 3.07Å; E445-M448 WeakPolarHBondContact OE2-CE 3.25Å; M448-V452 HydrophobicContact CB-CB 4.39Å; M448-V452 HydrophobicContact CE-CG1 3.92Å; M448-V452 HydrophobicContact SD-CG1 4.07Å |
| 449 | D | 69.5 | Low | 74.6 | Confident | 107 Ų | 107 | 61.7 Ų | 61.7 | 57% | 0.572 | 32% | 0.321 | S | S | * | . | trans | -52.7 | 136.6 | 174.1 | -178.3 | -48.5 | 0 | 0 | 0 | 111.4 | K451 V452 A453 | D449-K451 PolarHBondContact O-N 3.43Å; D449-K451 VanDerWaalsContact O-N 3.08Å; D449-K451 WeakPolarHBondContact OD1-CB 3.46Å; D449-K451 PolarHBondContact OD1-N 2.86Å; D449-V452 HydrophobicContact CB-CG2 4.09Å; D449-V452 WeakPolarHBondContact O-CA 3.08Å; D449-V452 WeakPolarHBondContact O-CB 3.17Å; D449-V452 PolarHBondContact O-N 3.48Å; D449-A453 PolarHBondContact O-N 3.18Å | ||
| 450 | V | 72.3 | Confident | 74.9 | Confident | 100 Ų | 100 | 59.9 Ų | 59.9 | 61% | 0.606 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -53.9 | -31.9 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | V452 A453 G454 I756 | V450-V452 VanDerWaalsContact C-N 3.27Å; V450-V452 PolarHBondContact O-N 2.84Å; V450-A453 PolarHBondContact O-N 3.1Å; V450-G454 PolarHBondContact O-N 3.39Å; V450-I756 HydrophobicContact CB-CD1 3.59Å; V450-I756 HydrophobicContact CG1-CD1 3.27Å |
| 451 | K | 73 | Confident | 75.3 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 37% | 0.365 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.9 | -28.9 | 175.6 | -169.2 | -175.5 | 176.4 | 179.7 | 0 | 113 | D449 R455 F755 | D449-K451 PolarHBondContact O-N 3.43Å; D449-K451 VanDerWaalsContact O-N 3.08Å; D449-K451 WeakPolarHBondContact OD1-CB 3.46Å; D449-K451 PolarHBondContact OD1-N 2.86Å; K451-R455 WeakPolarHBondContact O-CG 3.21Å; K451-R455 PolarHBondContact O-N 3.37Å; K451-R455 PolarHBondContact O-NE 3.33Å; K451-R455 VanDerWaalsContact O-NE 3.09Å; K451-F755 HydrophobicContact CD-CE1 4.17Å |
| 452 | V | 76.6 | Confident | 75.7 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -78.1 | -48.1 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | A325 M448 D449 V450 G454 R455 M456 | A325-V452 HydrophobicContact CB-CB 4.22Å; A325-V452 HydrophobicContact CB-CG1 3.82Å; A325-V452 HydrophobicContact CB-CG2 3.32Å; M448-V452 HydrophobicContact CB-CB 4.39Å; M448-V452 HydrophobicContact CE-CG1 3.92Å; M448-V452 HydrophobicContact SD-CG1 4.07Å; D449-V452 HydrophobicContact CB-CG2 4.09Å; D449-V452 WeakPolarHBondContact O-CA 3.08Å; D449-V452 WeakPolarHBondContact O-CB 3.17Å; D449-V452 PolarHBondContact O-N 3.48Å; V450-V452 VanDerWaalsContact C-N 3.27Å; V450-V452 PolarHBondContact O-N 2.84Å; V452-G454 VanDerWaalsContact C-N 3.31Å; V452-G454 PolarHBondContact O-N 3.42Å; V452-R455 PolarHBondContact O-N 3.26Å; V452-R455 VanDerWaalsContact O-N 3.1Å; V452-M456 HydrophobicContact CG1-CG 4.33Å; V452-M456 WeakPolarHBondContact O-CG 3.41Å; V452-M456 PolarHBondContact O-N 3.06Å |
| 453 | A | 78.5 | Confident | 76.5 | Confident | 12 Ų | 12 | 51 Ų | 51 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D449 V450 R455 M456 Y457 | D449-A453 PolarHBondContact O-N 3.18Å; V450-A453 PolarHBondContact O-N 3.1Å; A453-R455 PolarHBondContact O-N 3.31Å; A453-M456 PolarHBondContact O-N 3.27Å; A453-Y457 WeakPolarHBondContact O-CB 3.27Å; A453-Y457 PolarHBondContact O-N 3.17Å |
| 454 | G | 79.7 | Confident | 77.6 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | V450 V452 Y457 D458 | V450-G454 PolarHBondContact O-N 3.39Å; V452-G454 VanDerWaalsContact C-N 3.31Å; V452-G454 PolarHBondContact O-N 3.42Å; G454-Y457 PolarHBondContact O-N 3.01Å; G454-D458 WeakPolarHBondContact O-CB 3.23Å; G454-D458 VanDerWaalsContact O-CG 3.3Å; G454-D458 PolarHBondContact O-N 3.04Å |
| 455 | R | 82.1 | Confident | 78.9 | Confident | 81 Ų | 81 | 39.7 Ų | 39.7 | 31% | 0.306 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -39.6 | 176.9 | -80.6 | -175.6 | -87 | 165.8 | -2.7 | 113 | K451 V452 A453 D458 Q459 | K451-R455 WeakPolarHBondContact O-CG 3.21Å; K451-R455 PolarHBondContact O-N 3.37Å; K451-R455 PolarHBondContact O-NE 3.33Å; K451-R455 VanDerWaalsContact O-NE 3.09Å; V452-R455 PolarHBondContact O-N 3.26Å; V452-R455 VanDerWaalsContact O-N 3.1Å; A453-R455 PolarHBondContact O-N 3.31Å; R455-D458 PolarHBondContact O-N 3.08Å; R455-Q459 WeakPolarHBondContact O-CB 3.31Å; R455-Q459 PolarHBondContact O-N 2.98Å |
| 456 | M | 84.6 | Confident | 80.7 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.1 | -38.5 | 177.1 | -70.1 | -62.6 | 99.6 | 0 | 0 | 111.6 | I327 V366 I441 E445 V452 A453 Q459 C460 | I327-M456 HydrophobicContact CD1-CE 4.5Å; I327-M456 HydrophobicContact CG1-CE 4.39Å; V366-M456 HydrophobicContact CG2-SD 3.95Å; I441-M456 HydrophobicContact CG2-CB 3.67Å; E445-M456 WeakPolarHBondContact OE2-CG 3.3Å; V452-M456 HydrophobicContact CG1-CG 4.33Å; V452-M456 WeakPolarHBondContact O-CG 3.41Å; V452-M456 PolarHBondContact O-N 3.06Å; A453-M456 PolarHBondContact O-N 3.27Å; M456-Q459 PolarHBondContact O-N 3.37Å; M456-C460 WeakPolarHBondContact O-CB 3.29Å; M456-C460 PolarHBondContact O-N 2.98Å |
| 457 | Y | 87.3 | Confident | 83.1 | Confident | 23 Ų | 23 | 35 Ų | 35 | 9% | 0.09 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | 172 | 175.1 | -83.7 | 0 | 0 | 0 | 111 | R438 V442 A453 G454 Q459 C460 Q461 T679 E682 | R438-Y457 HydrophobicContact CG-CD2 3.83Å; R438-Y457 HydrophobicContact CG-CE2 3.41Å; R438-Y457 VanDerWaalsContact CG-CE2 3.41Å; R438-Y457 PolarHBondContact NH1-OH 2.76Å; R438-Y457 WeakPolarHBondContact O-CD2 3.11Å; V442-Y457 HydrophobicContact CG2-CD2 4.21Å; A453-Y457 WeakPolarHBondContact O-CB 3.27Å; A453-Y457 PolarHBondContact O-N 3.17Å; G454-Y457 PolarHBondContact O-N 3.01Å; Y457-Q459 VanDerWaalsContact C-N 3.34Å; Y457-Q459 PolarHBondContact O-N 3.21Å; Y457-C460 WeakPolarHBondContact O-CB 3.4Å; Y457-C460 PolarHBondContact O-N 3.14Å; Y457-Q461 WeakPolarHBondContact O-CB 3.21Å; Y457-Q461 PolarHBondContact O-N 3.13Å; Y457-T679 HydrophobicContact CD1-CG2 3.66Å; Y457-T679 HydrophobicContact CE1-CG2 4.14Å; Y457-T679 HydrophobicContact CG-CG2 4.33Å; Y457-E682 HydrophobicContact CE1-CG 4.46Å; Y457-E682 WeakPolarHBondContact CE1-OE1 3.44Å; Y457-E682 PolarHBondContact OH-OE1 3.27Å |
| 458 | D | 88.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 179 | -78.1 | -18.1 | 0 | 0 | 0 | 111.9 | G454 R455 C460 Q461 D462 T679 F681 | G454-D458 WeakPolarHBondContact O-CB 3.23Å; G454-D458 VanDerWaalsContact O-CG 3.3Å; G454-D458 PolarHBondContact O-N 3.04Å; R455-D458 PolarHBondContact O-N 3.08Å; D458-C460 PolarHBondContact O-N 3.42Å; D458-Q461 PolarHBondContact O-N 2.62Å; D458-D462 WeakPolarHBondContact O-CB 3.37Å; D458-D462 PolarHBondContact O-N 2.93Å; D458-T679 VanDerWaalsContact CG-OG1 3.28Å; D458-T679 WeakPolarHBondContact OD1-CB 3.46Å; D458-T679 PolarHBondContact OD1-OG1 3.45Å; D458-T679 WeakPolarHBondContact OD2-CB 3.45Å; D458-T679 PolarHBondContact OD2-OG1 3.32Å; D458-F681 HydrophobicContact CB-CB 4.29Å; D458-F681 HydrophobicContact CB-CD2 3.64Å; D458-F681 HydrophobicContact CB-CE2 4.14Å; D458-F681 HydrophobicContact CB-CG 4.01Å; D458-F681 PolarHBondContact OD2-N 2.95Å |
| 459 | Q | 90.1 | Very high | 86.8 | Confident | 30 Ų | 30 | 24.9 Ų | 24.9 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.6 | -176.3 | -177.9 | -13.1 | 0 | 0 | 112.3 | R455 M456 Y457 T463 | R455-Q459 WeakPolarHBondContact O-CB 3.31Å; R455-Q459 PolarHBondContact O-N 2.98Å; M456-Q459 PolarHBondContact O-N 3.37Å; Y457-Q459 VanDerWaalsContact C-N 3.34Å; Y457-Q459 PolarHBondContact O-N 3.21Å; Q459-T463 WeakPolarHBondContact O-CB 3.42Å; Q459-T463 PolarHBondContact O-N 3.3Å; Q459-T463 PolarHBondContact O-OG1 3.49Å |
| 460 | C | 92.4 | Very high | 88 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | L368 I441 M456 Y457 D458 T463 L464 | L368-C460 HydrophobicContact CD1-CB 3.98Å; I441-C460 HydrophobicContact CD1-CB 3.48Å; I441-C460 VanDerWaalsContact CD1-CB 3.48Å; M456-C460 WeakPolarHBondContact O-CB 3.29Å; M456-C460 PolarHBondContact O-N 2.98Å; Y457-C460 WeakPolarHBondContact O-CB 3.4Å; Y457-C460 PolarHBondContact O-N 3.14Å; D458-C460 PolarHBondContact O-N 3.42Å; C460-T463 PolarHBondContact O-N 2.94Å; C460-L464 WeakPolarHBondContact O-CB 3.02Å; C460-L464 PolarHBondContact O-N 3.44Å |
| 461 | Q | 93.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 177.8 | 178.2 | 64.2 | 7 | 0 | 0 | 111.4 | Y457 D458 L464 I465 F635 | Y457-Q461 WeakPolarHBondContact O-CB 3.21Å; Y457-Q461 PolarHBondContact O-N 3.13Å; D458-Q461 PolarHBondContact O-N 2.62Å; Q461-L464 WeakPolarHBondContact O-CB 2.99Å; Q461-L464 PolarHBondContact O-N 3.19Å; Q461-I465 HydrophobicContact CG-CD1 3.86Å; Q461-I465 WeakPolarHBondContact O-CD1 3.48Å; Q461-I465 VanDerWaalsContact O-CG1 3.28Å; Q461-I465 WeakPolarHBondContact O-CG1 3.39Å; Q461-I465 PolarHBondContact O-N 3.02Å; Q461-F635 PolarHBondContact NE2-O 3Å |
| 462 | D | 93.1 | Very high | 90 | Very high | 11 Ų | 11 | 14 Ų | 14 | 6% | 0.059 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 179.3 | -83.7 | -10.8 | 0 | 0 | 0 | 113 | A383 S385 D458 L464 I465 Q466 F681 R685 | A383-D462 HydrophobicContact CB-CB 3.61Å; S385-D462 WeakPolarHBondContact CB-OD1 3.09Å; S385-D462 VanDerWaalsContact CB-OD2 3.3Å; S385-D462 WeakPolarHBondContact CB-OD2 3.37Å; S385-D462 PolarHBondContact OG-OD1 3.08Å; S385-D462 PolarHBondContact OG-OD2 3.18Å; D458-D462 WeakPolarHBondContact O-CB 3.37Å; D458-D462 PolarHBondContact O-N 2.93Å; D462-L464 VanDerWaalsContact C-N 3.31Å; D462-L464 PolarHBondContact O-N 3.45Å; D462-I465 PolarHBondContact O-N 2.98Å; D462-Q466 VanDerWaalsContact O-CB 3.23Å; D462-Q466 WeakPolarHBondContact O-CB 3.32Å; D462-Q466 PolarHBondContact O-N 3.32Å; D462-F681 VanDerWaalsContact OD2-CD2 3.25Å; D462-F681 WeakPolarHBondContact OD2-CD2 3.48Å; D462-F681 WeakPolarHBondContact OD2-CE2 3.44Å; D462-R685 IonicContact OD1-CZ 3.04Å; D462-R685 IonicContact OD1-NH2 2.78Å; D462-R685 PolarHBondContact OD1-NH2 3.31Å |
| 463 | T | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 176.9 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | L368 L371 M434 Q459 C460 F467 | L368-T463 HydrophobicContact CB-CG2 4.3Å; L368-T463 HydrophobicContact CD2-CG2 4.26Å; L371-T463 HydrophobicContact CB-CG2 4.18Å; L371-T463 HydrophobicContact CD2-CG2 3.92Å; L371-T463 HydrophobicContact CG-CG2 4.05Å; M434-T463 HydrophobicContact SD-CG2 3.89Å; Q459-T463 WeakPolarHBondContact O-CB 3.42Å; Q459-T463 PolarHBondContact O-N 3.3Å; Q459-T463 PolarHBondContact O-OG1 3.49Å; C460-T463 PolarHBondContact O-N 2.94Å; T463-F467 VanDerWaalsContact O-CB 3.24Å; T463-F467 WeakPolarHBondContact O-CB 3.35Å; T463-F467 PolarHBondContact O-N 3.3Å |
| 464 | L | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.5 | -49 | 173.9 | 174 | 61.5 | 0 | 0 | 0 | 111.8 | M434 A435 C460 Q461 D462 F467 A468 V500 L504 | M434-L464 HydrophobicContact CB-CB 4.21Å; M434-L464 HydrophobicContact CB-CD1 4.09Å; M434-L464 HydrophobicContact CE-CD1 4.18Å; M434-L464 HydrophobicContact SD-CB 4.41Å; A435-L464 HydrophobicContact CB-CD2 4.3Å; C460-L464 WeakPolarHBondContact O-CB 3.02Å; C460-L464 PolarHBondContact O-N 3.44Å; Q461-L464 WeakPolarHBondContact O-CB 2.99Å; Q461-L464 PolarHBondContact O-N 3.19Å; D462-L464 VanDerWaalsContact C-N 3.31Å; D462-L464 PolarHBondContact O-N 3.45Å; L464-F467 PolarHBondContact O-N 2.99Å; L464-A468 VanDerWaalsContact O-CB 3.25Å; L464-A468 WeakPolarHBondContact O-CB 3.48Å; L464-A468 PolarHBondContact O-N 2.53Å; L464-V500 HydrophobicContact CD2-CG1 3.91Å; L464-L504 HydrophobicContact CD1-CD2 4.38Å |
| 465 | I | 94.8 | Very high | 92 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 3% | 0.031 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 179.9 | -66.4 | 159.8 | 0 | 0 | 0 | 110.8 | Q461 D462 A468 S469 F503 F635 | Q461-I465 HydrophobicContact CG-CD1 3.86Å; Q461-I465 WeakPolarHBondContact O-CD1 3.48Å; Q461-I465 VanDerWaalsContact O-CG1 3.28Å; Q461-I465 WeakPolarHBondContact O-CG1 3.39Å; Q461-I465 PolarHBondContact O-N 3.02Å; D462-I465 PolarHBondContact O-N 2.98Å; I465-A468 PolarHBondContact O-N 3.41Å; I465-S469 VanDerWaalsContact O-CB 3.26Å; I465-S469 WeakPolarHBondContact O-CB 3.49Å; I465-S469 PolarHBondContact O-N 2.84Å; I465-S469 PolarHBondContact O-OG 3.43Å; I465-F503 HydrophobicContact CG1-CZ 4.46Å; I465-F635 WeakPolarHBondContact CD1-O 3.4Å; I465-F635 HydrophobicContact CG1-CE1 4.19Å |
| 466 | Q | 93.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 179.3 | -172.3 | -156.8 | 40.2 | 0 | 0 | 111 | Y372 V375 I381 D462 S469 F470 | Y372-Q466 VanDerWaalsContact CA-OE1 3.3Å; Y372-Q466 HydrophobicContact CE2-CG 4.49Å; Y372-Q466 PolarHBondContact O-NE2 2.75Å; Y372-Q466 VanDerWaalsContact O-NE2 3.09Å; Y372-Q466 PolarHBondContact O-OE1 3.04Å; V375-Q466 HydrophobicContact CB-CG 4.48Å; V375-Q466 HydrophobicContact CG1-CG 3.8Å; I381-Q466 HydrophobicContact CB-CG 4.27Å; I381-Q466 HydrophobicContact CG2-CG 3.69Å; I381-Q466 PolarHBondContact O-NE2 2.77Å; D462-Q466 VanDerWaalsContact O-CB 3.23Å; D462-Q466 WeakPolarHBondContact O-CB 3.32Å; D462-Q466 PolarHBondContact O-N 3.32Å; Q466-S469 PolarHBondContact O-N 3.45Å; Q466-F470 PolarHBondContact O-N 2.96Å |
| 467 | F | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 177.4 | -175.1 | -102.8 | 0 | 0 | 0 | 111.8 | L371 V375 I421 L430 M434 T463 L464 S469 F470 L471 | L371-F467 HydrophobicContact CD1-CD2 4.23Å; L371-F467 HydrophobicContact CD1-CE2 4.43Å; L371-F467 HydrophobicContact CD2-CD2 4.42Å; V375-F467 HydrophobicContact CG2-CD2 4.26Å; I421-F467 HydrophobicContact CD1-CE2 3.61Å; I421-F467 HydrophobicContact CD1-CZ 4.23Å; I421-F467 HydrophobicContact CG1-CE2 4.13Å; I421-F467 HydrophobicContact CG1-CZ 4.45Å; I421-F467 HydrophobicContact CG2-CE2 4.39Å; I421-F467 HydrophobicContact CG2-CZ 3.94Å; L430-F467 HydrophobicContact CB-CD1 4.44Å; L430-F467 HydrophobicContact CB-CE1 3.76Å; L430-F467 HydrophobicContact CB-CZ 3.88Å; L430-F467 HydrophobicContact CD1-CE1 4.34Å; L430-F467 HydrophobicContact CD1-CE2 3.84Å; L430-F467 HydrophobicContact CD1-CZ 3.57Å; L430-F467 HydrophobicContact CG-CZ 4.38Å; M434-F467 HydrophobicContact CE-CB 3.87Å; M434-F467 HydrophobicContact CE-CD1 3.71Å; M434-F467 HydrophobicContact CE-CE1 4.47Å; M434-F467 HydrophobicContact CE-CG 3.9Å; T463-F467 VanDerWaalsContact O-CB 3.24Å; T463-F467 WeakPolarHBondContact O-CB 3.35Å; T463-F467 PolarHBondContact O-N 3.3Å; L464-F467 PolarHBondContact O-N 2.99Å; F467-S469 VanDerWaalsContact C-N 3.31Å; F467-S469 PolarHBondContact O-N 3.3Å; F467-F470 VanDerWaalsContact O-CB 3.31Å; F467-F470 WeakPolarHBondContact O-CB 3.34Å; F467-F470 PolarHBondContact O-N 3.08Å; F467-F470 VanDerWaalsContact O-N 3.16Å; F467-L471 HydrophobicContact CD1-CD1 4.02Å; F467-L471 HydrophobicContact CD1-CG 4.41Å; F467-L471 HydrophobicContact CE1-CD1 3.71Å; F467-L471 HydrophobicContact CE1-CD2 4.39Å; F467-L471 HydrophobicContact CE1-CG 4.17Å; F467-L471 HydrophobicContact CZ-CD1 4.45Å; F467-L471 HydrophobicContact CZ-CD2 4.33Å; F467-L471 WeakPolarHBondContact O-CG 3.4Å; F467-L471 PolarHBondContact O-N 3.34Å |
| 468 | A | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L464 I465 F470 L471 F472 F503 L504 | L464-A468 VanDerWaalsContact O-CB 3.25Å; L464-A468 WeakPolarHBondContact O-CB 3.48Å; L464-A468 PolarHBondContact O-N 2.53Å; I465-A468 PolarHBondContact O-N 3.41Å; A468-F470 VanDerWaalsContact C-N 3.29Å; A468-F470 PolarHBondContact O-N 3.42Å; A468-L471 WeakPolarHBondContact O-CB 3.45Å; A468-L471 PolarHBondContact O-N 2.85Å; A468-L471 VanDerWaalsContact O-N 3.08Å; A468-F472 HydrophobicContact CB-CE1 4.21Å; A468-F472 HydrophobicContact CB-CE2 4.24Å; A468-F472 HydrophobicContact CB-CZ 3.89Å; A468-F472 WeakPolarHBondContact O-CD1 3.48Å; A468-F472 WeakPolarHBondContact O-CG 3.44Å; A468-F472 PolarHBondContact O-N 2.67Å; A468-F503 HydrophobicContact CB-CE1 3.43Å; A468-F503 VanDerWaalsContact CB-CE1 3.43Å; A468-F503 HydrophobicContact CB-CZ 3.55Å; A468-L504 HydrophobicContact CB-CD2 4.49Å |
| 469 | S | 92 | Very high | 93.1 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 19% | 0.189 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | 175.1 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | I465 Q466 F467 F472 L473 | I465-S469 VanDerWaalsContact O-CB 3.26Å; I465-S469 WeakPolarHBondContact O-CB 3.49Å; I465-S469 PolarHBondContact O-N 2.84Å; I465-S469 PolarHBondContact O-OG 3.43Å; Q466-S469 PolarHBondContact O-N 3.45Å; F467-S469 VanDerWaalsContact C-N 3.31Å; F467-S469 PolarHBondContact O-N 3.3Å; S469-F472 PolarHBondContact O-N 3.07Å; S469-L473 WeakPolarHBondContact O-CB 3.47Å; S469-L473 PolarHBondContact O-N 2.86Å; S469-L473 VanDerWaalsContact O-N 3.13Å |
| 470 | F | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60 | -47.1 | 171.4 | 175.9 | -87.4 | 0 | 0 | 0 | 111.5 | V375 I381 V414 L417 K418 I421 Q466 F467 A468 L473 F474 | V375-F470 HydrophobicContact CG1-CB 4.23Å; I381-F470 HydrophobicContact CD1-CB 3.69Å; I381-F470 HydrophobicContact CD1-CD2 4.07Å; I381-F470 HydrophobicContact CD1-CG 4.37Å; V414-F470 HydrophobicContact CG1-CE2 4.13Å; V414-F470 HydrophobicContact CG1-CZ 4.48Å; L417-F470 HydrophobicContact CB-CE2 4.38Å; L417-F470 HydrophobicContact CB-CZ 4.07Å; L417-F470 HydrophobicContact CD2-CD2 4.18Å; L417-F470 HydrophobicContact CD2-CE2 3.7Å; L417-F470 HydrophobicContact CD2-CZ 3.94Å; L417-F470 HydrophobicContact CG-CE1 4.35Å; L417-F470 HydrophobicContact CG-CE2 4.09Å; L417-F470 HydrophobicContact CG-CZ 3.8Å; K418-F470 HydrophobicContact CB-CE1 4.49Å; K418-F470 HydrophobicContact CB-CZ 4.14Å; I421-F470 HydrophobicContact CD1-CD1 3.98Å; I421-F470 HydrophobicContact CD1-CE1 3.59Å; I421-F470 HydrophobicContact CD1-CZ 4.3Å; Q466-F470 PolarHBondContact O-N 2.96Å; F467-F470 VanDerWaalsContact O-CB 3.31Å; F467-F470 WeakPolarHBondContact O-CB 3.34Å; F467-F470 PolarHBondContact O-N 3.08Å; F467-F470 VanDerWaalsContact O-N 3.16Å; A468-F470 VanDerWaalsContact C-N 3.29Å; A468-F470 PolarHBondContact O-N 3.42Å; F470-L473 PolarHBondContact O-N 3.48Å; F470-F474 AromaticContact CD2-CD2 3.48Å; F470-F474 HydrophobicContact CD2-CD2 3.48Å; F470-F474 VanDerWaalsContact CD2-CD2 3.48Å; F470-F474 AromaticContact CD2-CE2 3.82Å; F470-F474 HydrophobicContact CD2-CE2 3.82Å; F470-F474 AromaticContact CE2-CD2 3.52Å; F470-F474 HydrophobicContact CE2-CD2 3.52Å; F470-F474 AromaticContact CE2-CE2 3.97Å; F470-F474 HydrophobicContact CE2-CE2 3.97Å; F470-F474 HydrophobicContact CE2-CG 4.39Å; F470-F474 HydrophobicContact CG-CD2 4.05Å; F470-F474 HydrophobicContact CZ-CB 4.48Å; F470-F474 HydrophobicContact CZ-CD2 4.12Å; F470-F474 WeakPolarHBondContact O-CD2 3.43Å; F470-F474 PolarHBondContact O-N 3.45Å |
| 471 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 178.1 | -61 | 175.5 | 0 | 0 | 0 | 111.4 | I421 I427 C431 F467 A468 L473 F474 V475 Y480 | I421-L471 HydrophobicContact CG2-CD2 4.03Å; I427-L471 HydrophobicContact CD1-CD2 4.33Å; I427-L471 HydrophobicContact CG1-CD2 4.09Å; I427-L471 HydrophobicContact CG2-CD1 3.83Å; I427-L471 HydrophobicContact CG2-CD2 4.29Å; C431-L471 VanDerWaalsContact SG-CD1 3.58Å; F467-L471 HydrophobicContact CD1-CD1 4.02Å; F467-L471 HydrophobicContact CD1-CG 4.41Å; F467-L471 HydrophobicContact CE1-CD1 3.71Å; F467-L471 HydrophobicContact CE1-CD2 4.39Å; F467-L471 HydrophobicContact CE1-CG 4.17Å; F467-L471 HydrophobicContact CZ-CD1 4.45Å; F467-L471 HydrophobicContact CZ-CD2 4.33Å; F467-L471 WeakPolarHBondContact O-CG 3.4Å; F467-L471 PolarHBondContact O-N 3.34Å; A468-L471 WeakPolarHBondContact O-CB 3.45Å; A468-L471 PolarHBondContact O-N 2.85Å; A468-L471 VanDerWaalsContact O-N 3.08Å; L471-L473 VanDerWaalsContact C-N 3.25Å; L471-L473 PolarHBondContact O-N 3.03Å; L471-F474 PolarHBondContact O-N 3.22Å; L471-V475 HydrophobicContact CB-CG2 4.37Å; L471-V475 HydrophobicContact CD2-CG2 3.85Å; L471-V475 VanDerWaalsContact O-CB 3.28Å; L471-V475 WeakPolarHBondContact O-CB 3.12Å; L471-V475 PolarHBondContact O-N 2.79Å; L471-Y480 HydrophobicContact CB-CD2 4.36Å; L471-Y480 HydrophobicContact CB-CE2 3.97Å; L471-Y480 HydrophobicContact CD1-CE2 4.28Å |
| 472 | F | 92.4 | Very high | 93.1 | Very high | 62 Ų | 62 | 34.3 Ų | 34.3 | 27% | 0.272 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.5 | -33.1 | -178.1 | -59.9 | -11.4 | 0 | 0 | 0 | 112.7 | A468 S469 Y480 F503 P507 | A468-F472 HydrophobicContact CB-CE1 4.21Å; A468-F472 HydrophobicContact CB-CE2 4.24Å; A468-F472 HydrophobicContact CB-CZ 3.89Å; A468-F472 WeakPolarHBondContact O-CD1 3.48Å; A468-F472 WeakPolarHBondContact O-CG 3.44Å; A468-F472 PolarHBondContact O-N 2.67Å; S469-F472 PolarHBondContact O-N 3.07Å; F472-Y480 HydrophobicContact CD1-CE2 4.13Å; F472-Y480 HydrophobicContact CE1-CE2 4.13Å; F472-Y480 AromaticContact CE1-CZ 3.88Å; F472-Y480 WeakPolarHBondContact CE1-OH 3.42Å; F472-F503 AromaticContact CE2-CE2 3.93Å; F472-F503 HydrophobicContact CE2-CE2 3.93Å; F472-F503 AromaticContact CE2-CZ 3.97Å; F472-F503 HydrophobicContact CE2-CZ 3.97Å; F472-F503 HydrophobicContact CZ-CE1 4.46Å; F472-F503 HydrophobicContact CZ-CE2 4.29Å; F472-F503 HydrophobicContact CZ-CZ 4.13Å; F472-P507 HydrophobicContact CD1-CB 4.32Å; F472-P507 HydrophobicContact CD1-CG 3.26Å; F472-P507 HydrophobicContact CD2-CG 4.5Å; F472-P507 HydrophobicContact CE1-CG 3.14Å; F472-P507 HydrophobicContact CE2-CG 4.39Å; F472-P507 HydrophobicContact CG-CG 3.99Å; F472-P507 HydrophobicContact CZ-CG 3.75Å |
| 473 | L | 90.6 | Very high | 93 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -87.3 | -31.5 | -177.1 | -171.6 | 61.5 | 0 | 0 | 0 | 113.3 | D400 M404 M407 S469 F470 L471 | D400-L473 HydrophobicContact CB-CD1 3.86Å; M404-L473 HydrophobicContact CE-CD1 3.69Å; M404-L473 HydrophobicContact CE-CD2 4.31Å; M404-L473 HydrophobicContact CE-CG 3.82Å; M404-L473 HydrophobicContact CG-CD1 4.36Å; M404-L473 HydrophobicContact CG-CD2 4.37Å; M407-L473 HydrophobicContact CE-CD2 3.72Å; M407-L473 HydrophobicContact SD-CD2 3.98Å; S469-L473 WeakPolarHBondContact O-CB 3.47Å; S469-L473 PolarHBondContact O-N 2.86Å; S469-L473 VanDerWaalsContact O-N 3.13Å; F470-L473 PolarHBondContact O-N 3.48Å; L471-L473 VanDerWaalsContact C-N 3.25Å; L471-L473 PolarHBondContact O-N 3.03Å |
| 474 | F | 92.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 37 Ų | 37 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -118.8 | -15.4 | -168.7 | -60.5 | -61.1 | 0 | 0 | 0 | 115.2 | I381 M404 V414 K418 F470 L471 | I381-F474 HydrophobicContact CD1-CD2 4.5Å; I381-F474 HydrophobicContact CD1-CE2 3.91Å; M404-F474 HydrophobicContact CE-CD1 4.37Å; M404-F474 HydrophobicContact CE-CE1 3.9Å; V414-F474 HydrophobicContact CG1-CB 4.31Å; V414-F474 HydrophobicContact CG1-CD1 3.49Å; V414-F474 VanDerWaalsContact CG1-CD1 3.49Å; V414-F474 HydrophobicContact CG1-CD2 3.73Å; V414-F474 HydrophobicContact CG1-CE1 3.58Å; V414-F474 HydrophobicContact CG1-CE2 3.79Å; V414-F474 HydrophobicContact CG1-CG 3.57Å; V414-F474 HydrophobicContact CG1-CZ 3.72Å; V414-F474 HydrophobicContact CG2-CE1 4.42Å; V414-F474 HydrophobicContact CG2-CE2 4.21Å; V414-F474 HydrophobicContact CG2-CZ 3.95Å; K418-F474 VanDerWaalsContact CD-O 3.29Å; K418-F474 WeakPolarHBondContact CD-O 3.44Å; K418-F474 WeakPolarHBondContact CE-O 3.42Å; K418-F474 PolarHBondContact NZ-O 2.77Å; F470-F474 AromaticContact CD2-CD2 3.48Å; F470-F474 HydrophobicContact CD2-CD2 3.48Å; F470-F474 VanDerWaalsContact CD2-CD2 3.48Å; F470-F474 AromaticContact CD2-CE2 3.82Å; F470-F474 HydrophobicContact CD2-CE2 3.82Å; F470-F474 AromaticContact CE2-CD2 3.52Å; F470-F474 HydrophobicContact CE2-CD2 3.52Å; F470-F474 AromaticContact CE2-CE2 3.97Å; F470-F474 HydrophobicContact CE2-CE2 3.97Å; F470-F474 HydrophobicContact CE2-CG 4.39Å; F470-F474 HydrophobicContact CG-CD2 4.05Å; F470-F474 HydrophobicContact CZ-CB 4.48Å; F470-F474 HydrophobicContact CZ-CD2 4.12Å; F470-F474 WeakPolarHBondContact O-CD2 3.43Å; F470-F474 PolarHBondContact O-N 3.45Å; L471-F474 PolarHBondContact O-N 3.22Å |
| 475 | V | 93.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -92.8 | 133.3 | 173.6 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | L471 E479 | L471-V475 HydrophobicContact CB-CG2 4.37Å; L471-V475 HydrophobicContact CD2-CG2 3.85Å; L471-V475 VanDerWaalsContact O-CB 3.28Å; L471-V475 WeakPolarHBondContact O-CB 3.12Å; L471-V475 PolarHBondContact O-N 2.79Å; V475-E479 HydrophobicContact CG1-CB 4.28Å; V475-E479 HydrophobicContact CG1-CG 4.46Å |
| 476 | E | 91.7 | Very high | 92.3 | Very high | 123 Ų | 123 | 39.7 Ų | 39.7 | 58% | 0.575 | 20% | 0.195 | S | C | * | . | trans | -63.8 | 137.3 | 178.9 | -61.7 | -57.7 | 143.8 | 0 | 0 | 110.2 | E478 E479 Y480 | E476-E478 VanDerWaalsContact C-N 3.25Å; E476-E478 PolarHBondContact O-N 3.04Å; E476-E478 VanDerWaalsContact O-N 3.15Å; E476-E479 HydrophobicContact CB-CB 4.43Å; E476-E479 PolarHBondContact O-N 2.87Å; E476-Y480 PolarHBondContact O-N 2.79Å | ||
| 477 | P | 91.2 | Very high | 92.1 | Very high | 59 Ų | 59 | 39.7 Ų | 39.7 | 38% | 0.383 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.5 | -38.3 | -176 | -28.9 | 35.4 | 0 | 0 | 0 | 114.2 | E479 Y480 V481 H511 | P477-E479 VanDerWaalsContact C-N 3.32Å; P477-E479 PolarHBondContact O-N 3.19Å; P477-Y480 PolarHBondContact O-N 3.27Å; P477-V481 WeakPolarHBondContact O-CG2 3.35Å; P477-V481 PolarHBondContact O-N 3.02Å; P477-H511 HydrophobicContact CB-CB 4.16Å; P477-H511 WeakPolarHBondContact CB-ND1 3.43Å |
| 478 | E | 91.2 | Very high | 91.5 | Very high | 129 Ų | 129 | 40.2 Ų | 40.2 | 60% | 0.603 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -65.1 | -35.7 | 178.5 | -64.7 | 177.3 | -170.5 | 0 | 0 | 112.7 | E476 K482 | E476-E478 VanDerWaalsContact C-N 3.25Å; E476-E478 PolarHBondContact O-N 3.04Å; E476-E478 VanDerWaalsContact O-N 3.15Å; E478-K482 VanDerWaalsContact O-CG 3.31Å; E478-K482 WeakPolarHBondContact O-CG 3.4Å; E478-K482 PolarHBondContact O-N 3.41Å |
| 479 | E | 91.4 | Very high | 91.2 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -78.9 | -34.8 | 178.3 | -172 | 62.4 | -167 | 0 | 0 | 111 | M422 V475 E476 P477 K482 R483 | M422-E479 HydrophobicContact CE-CG 3.91Å; V475-E479 HydrophobicContact CG1-CB 4.28Å; V475-E479 HydrophobicContact CG1-CG 4.46Å; E476-E479 HydrophobicContact CB-CB 4.43Å; E476-E479 PolarHBondContact O-N 2.87Å; P477-E479 VanDerWaalsContact C-N 3.32Å; P477-E479 PolarHBondContact O-N 3.19Å; E479-K482 PolarHBondContact O-N 3.21Å; E479-R483 WeakPolarHBondContact O-CG 3.02Å; E479-R483 PolarHBondContact O-N 2.84Å; E479-R483 IonicContact OE1-CZ 3.61Å; E479-R483 IonicContact OE1-NE 2.72Å; E479-R483 PolarHBondContact OE1-NE 3.45Å; E479-R483 IonicContact OE1-NH2 3.74Å; E479-R483 PolarHBondContact OE1-NH2 3.03Å |
| 480 | Y | 93.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -49.1 | 174 | -170.8 | -86.4 | 0 | 0 | 0 | 111.4 | L471 F472 E476 P477 K482 R483 I484 L504 P507 | L471-Y480 HydrophobicContact CB-CD2 4.36Å; L471-Y480 HydrophobicContact CB-CE2 3.97Å; L471-Y480 HydrophobicContact CD1-CE2 4.28Å; F472-Y480 HydrophobicContact CD1-CE2 4.13Å; F472-Y480 HydrophobicContact CE1-CE2 4.13Å; F472-Y480 AromaticContact CE1-CZ 3.88Å; F472-Y480 WeakPolarHBondContact CE1-OH 3.42Å; E476-Y480 PolarHBondContact O-N 2.79Å; P477-Y480 PolarHBondContact O-N 3.27Å; Y480-K482 PolarHBondContact O-N 2.56Å; Y480-R483 PolarHBondContact O-N 3.4Å; Y480-I484 HydrophobicContact CD1-CB 4.41Å; Y480-I484 HydrophobicContact CD1-CG1 4.46Å; Y480-I484 HydrophobicContact CD2-CG1 4.44Å; Y480-I484 HydrophobicContact CE1-CB 3.89Å; Y480-I484 HydrophobicContact CE1-CG1 3.92Å; Y480-I484 HydrophobicContact CE1-CG2 4.17Å; Y480-I484 HydrophobicContact CE2-CG1 3.89Å; Y480-I484 PolarHBondContact O-N 3.33Å; Y480-L504 PolarHBondContact OH-O 3.17Å; Y480-P507 HydrophobicContact CD1-CB 3.95Å; Y480-P507 HydrophobicContact CD1-CG 4.29Å; Y480-P507 HydrophobicContact CE1-CB 3.86Å; Y480-P507 HydrophobicContact CE1-CG 3.72Å |
| 481 | V | 91.3 | Very high | 91 | Very high | 46 Ų | 46 | 44 Ų | 44 | 28% | 0.279 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -33.2 | 179.6 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | P477 R483 H511 | P477-V481 WeakPolarHBondContact O-CG2 3.35Å; P477-V481 PolarHBondContact O-N 3.02Å; V481-R483 VanDerWaalsContact C-N 3.28Å; V481-R483 PolarHBondContact O-N 3.12Å; V481-H511 HydrophobicContact CG2-CB 4.34Å |
| 482 | K | 91.1 | Very high | 90.5 | Very high | 152 Ų | 152 | 46.5 Ų | 46.5 | 66% | 0.661 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -73.9 | -18.5 | 178.6 | -71.6 | 170.5 | -169.1 | 169.3 | 0 | 113.6 | E478 E479 Y480 | E478-K482 VanDerWaalsContact O-CG 3.31Å; E478-K482 WeakPolarHBondContact O-CG 3.4Å; E478-K482 PolarHBondContact O-N 3.41Å; E479-K482 PolarHBondContact O-N 3.21Å; Y480-K482 PolarHBondContact O-N 2.56Å |
| 483 | R | 91.5 | Very high | 90.3 | Very high | 63 Ų | 63 | 48.9 Ų | 48.9 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -108.1 | -49.5 | -171.4 | -69 | -178.7 | -177.6 | -106.1 | 4.4 | 112.8 | M422 V428 E479 Y480 V481 P485 | M422-R483 PolarHBondContact O-NH1 2.8Å; M422-R483 VanDerWaalsContact O-NH1 3.12Å; M422-R483 PolarHBondContact O-NH2 2.8Å; V428-R483 HydrophobicContact CG2-CB 4.42Å; V428-R483 WeakPolarHBondContact CG2-O 3.39Å; E479-R483 WeakPolarHBondContact O-CG 3.02Å; E479-R483 PolarHBondContact O-N 2.84Å; E479-R483 IonicContact OE1-CZ 3.61Å; E479-R483 IonicContact OE1-NE 2.72Å; E479-R483 PolarHBondContact OE1-NE 3.45Å; E479-R483 IonicContact OE1-NH2 3.74Å; E479-R483 PolarHBondContact OE1-NH2 3.03Å; Y480-R483 PolarHBondContact O-N 3.4Å; V481-R483 VanDerWaalsContact C-N 3.28Å; V481-R483 PolarHBondContact O-N 3.12Å; R483-P485 WeakPolarHBondContact O-CD 3.23Å |
| 484 | I | 92 | Very high | 90.3 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -81.6 | 121.4 | -177.7 | -66.5 | -68.2 | 0 | 0 | 0 | 109.2 | I427 V428 C431 Y480 | I427-I484 HydrophobicContact CG2-CD1 3.73Å; I427-I484 HydrophobicContact CG2-CG1 4.12Å; V428-I484 HydrophobicContact CG2-CD1 4.25Å; C431-I484 HydrophobicContact CB-CD1 4.4Å; Y480-I484 HydrophobicContact CD1-CB 4.41Å; Y480-I484 HydrophobicContact CD1-CG1 4.46Å; Y480-I484 HydrophobicContact CD2-CG1 4.44Å; Y480-I484 HydrophobicContact CE1-CB 3.89Å; Y480-I484 HydrophobicContact CE1-CG1 3.92Å; Y480-I484 HydrophobicContact CE1-CG2 4.17Å; Y480-I484 HydrophobicContact CE2-CG1 3.89Å; Y480-I484 PolarHBondContact O-N 3.33Å |
| 485 | P | 90.7 | Very high | 90.1 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 157 | 174.6 | -23.9 | 34.4 | 0 | 0 | 0 | 112.7 | R483 E489 L490 | R483-P485 WeakPolarHBondContact O-CD 3.23Å; P485-E489 HydrophobicContact CB-CB 3.74Å; P485-E489 WeakPolarHBondContact CB-OE2 3.24Å; P485-L490 HydrophobicContact CB-CD2 4.01Å; P485-L490 HydrophobicContact CB-CG 4.12Å; P485-L490 HydrophobicContact CG-CD2 4.18Å; P485-L490 WeakPolarHBondContact O-CD1 3.42Å |
| 486 | L | 89.2 | Confident | 90 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 170.8 | 172.8 | -64.6 | 178.1 | 0 | 0 | 0 | 111.2 | P488 E489 L490 Y509 M512 | L486-P488 VanDerWaalsContact C-CD 3.47Å; L486-E489 PolarHBondContact O-N 3.13Å; L486-E489 VanDerWaalsContact O-N 3.12Å; L486-L490 WeakPolarHBondContact O-CG 3.39Å; L486-L490 PolarHBondContact O-N 2.86Å; L486-Y509 HydrophobicContact CD2-CE1 4.21Å; L486-M512 HydrophobicContact CD1-CE 4.24Å; L486-M512 HydrophobicContact CD2-CE 4.19Å |
| 487 | V | 88.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.7 | -44.6 | -174.2 | 176.3 | 0 | 0 | 0 | 0 | 114.1 | E489 L490 V491 I498 A501 M502 A505 Y509 I527 | V487-E489 VanDerWaalsContact C-N 3.31Å; V487-E489 PolarHBondContact O-N 3.23Å; V487-L490 PolarHBondContact O-N 3.38Å; V487-V491 HydrophobicContact CG1-CG2 4.08Å; V487-V491 WeakPolarHBondContact O-CB 3.31Å; V487-V491 WeakPolarHBondContact O-CG2 3.49Å; V487-V491 PolarHBondContact O-N 3.16Å; V487-I498 HydrophobicContact CG1-CD1 3.64Å; V487-A501 HydrophobicContact CG1-CB 4.4Å; V487-M502 HydrophobicContact CB-SD 4.25Å; V487-M502 HydrophobicContact CG1-SD 3.92Å; V487-M502 HydrophobicContact CG2-SD 3.4Å; V487-M502 WeakPolarHBondContact CG2-SD 3.32Å; V487-A505 HydrophobicContact CG2-CB 3.61Å; V487-Y509 HydrophobicContact CG2-CE2 3.6Å; V487-Y509 VanDerWaalsContact CG2-OH 3.28Å; V487-Y509 WeakPolarHBondContact CG2-OH 3.38Å; V487-I527 HydrophobicContact CB-CD1 4.48Å |
| 488 | P | 84.6 | Confident | 89.7 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 7% | 0.071 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | -179.5 | -24.1 | 35.2 | 0 | 0 | 0 | 113 | L486 E492 I527 | L486-P488 VanDerWaalsContact C-CD 3.47Å; P488-E492 VanDerWaalsContact O-CB 3.22Å; P488-E492 WeakPolarHBondContact O-CB 3.01Å; P488-E492 VanDerWaalsContact O-CG 3.31Å; P488-E492 WeakPolarHBondContact O-CG 3.46Å; P488-E492 PolarHBondContact O-N 2.92Å; P488-I527 HydrophobicContact CG-CG1 3.94Å |
| 489 | E | 88.5 | Confident | 89.6 | Confident | 83 Ų | 83 | 45.4 Ų | 45.4 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.6 | -39 | 179.4 | -66.3 | 169.6 | -150.1 | 0 | 0 | 111.3 | P485 L486 V487 V491 D493 C494 | P485-E489 HydrophobicContact CB-CB 3.74Å; P485-E489 WeakPolarHBondContact CB-OE2 3.24Å; L486-E489 PolarHBondContact O-N 3.13Å; L486-E489 VanDerWaalsContact O-N 3.12Å; V487-E489 VanDerWaalsContact C-N 3.31Å; V487-E489 PolarHBondContact O-N 3.23Å; E489-V491 VanDerWaalsContact C-N 3.32Å; E489-V491 PolarHBondContact O-N 3.21Å; E489-D493 WeakPolarHBondContact O-CA 3.41Å; E489-D493 VanDerWaalsContact O-CB 3.28Å; E489-D493 WeakPolarHBondContact O-CB 3.21Å; E489-D493 PolarHBondContact O-N 3.06Å; E489-C494 PolarHBondContact O-N 2.83Å; E489-C494 VanDerWaalsContact O-N 3.13Å |
| 490 | L | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 175.4 | -69.3 | 177.8 | 0 | 0 | 0 | 112.4 | V432 P485 L486 V487 C494 N495 L496 A501 L504 A505 | V432-L490 HydrophobicContact CG2-CD2 4.13Å; P485-L490 HydrophobicContact CB-CD2 4.01Å; P485-L490 HydrophobicContact CB-CG 4.12Å; P485-L490 HydrophobicContact CG-CD2 4.18Å; P485-L490 WeakPolarHBondContact O-CD1 3.42Å; L486-L490 WeakPolarHBondContact O-CG 3.39Å; L486-L490 PolarHBondContact O-N 2.86Å; V487-L490 PolarHBondContact O-N 3.38Å; L490-C494 CarbonylContact O-C 3.51Å; L490-C494 VanDerWaalsContact O-CB 3.27Å; L490-C494 WeakPolarHBondContact O-CB 3.4Å; L490-N495 PolarHBondContact O-N 2.99Å; L490-L496 HydrophobicContact CB-CD1 4.29Å; L490-L496 HydrophobicContact CD2-CD1 4.14Å; L490-L496 WeakPolarHBondContact O-CB 3.25Å; L490-L496 WeakPolarHBondContact O-CG 3.44Å; L490-L496 PolarHBondContact O-N 3.47Å; L490-L496 VanDerWaalsContact O-N 3.11Å; L490-A501 HydrophobicContact CB-CB 3.85Å; L490-A501 HydrophobicContact CD1-CB 4.27Å; L490-L504 HydrophobicContact CD1-CB 4.13Å; L490-A505 HydrophobicContact CD1-CB 4.46Å |
| 491 | V | 88.9 | Confident | 89.6 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -80.7 | -48 | 179.7 | 175.3 | 0 | 0 | 0 | 0 | 111 | V487 E489 N495 I498 A501 | V487-V491 HydrophobicContact CG1-CG2 4.08Å; V487-V491 WeakPolarHBondContact O-CB 3.31Å; V487-V491 WeakPolarHBondContact O-CG2 3.49Å; V487-V491 PolarHBondContact O-N 3.16Å; E489-V491 VanDerWaalsContact C-N 3.32Å; E489-V491 PolarHBondContact O-N 3.21Å; V491-N495 WeakPolarHBondContact O-CA 3.21Å; V491-N495 PolarHBondContact O-N 2.76Å; V491-I498 HydrophobicContact CG2-CD1 4.04Å; V491-A501 HydrophobicContact CG2-CB 3.73Å |
| 492 | E | 86.6 | Confident | 89.7 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -83 | -46.3 | -172 | -63.4 | 176.8 | 172.5 | 0 | 0 | 112.7 | P488 R530 S532 T533 | P488-E492 VanDerWaalsContact O-CB 3.22Å; P488-E492 WeakPolarHBondContact O-CB 3.01Å; P488-E492 VanDerWaalsContact O-CG 3.31Å; P488-E492 WeakPolarHBondContact O-CG 3.46Å; P488-E492 PolarHBondContact O-N 2.92Å; E492-R530 WeakPolarHBondContact OE2-CD 3.47Å; E492-R530 IonicContact OE2-CZ 2.93Å; E492-R530 IonicContact OE2-NE 3.48Å; E492-R530 IonicContact OE2-NH1 3.67Å; E492-R530 PolarHBondContact OE2-NH1 3.17Å; E492-S532 WeakPolarHBondContact OE1-CB 3.45Å; E492-S532 PolarHBondContact OE1-OG 3.1Å; E492-T533 WeakPolarHBondContact CG-OG1 3.43Å; E492-T533 PolarHBondContact OE1-N 3.41Å; E492-T533 PolarHBondContact OE1-OG1 3.22Å |
| 493 | D | 88.2 | Confident | 89.9 | Confident | 112 Ų | 112 | 33.7 Ų | 33.7 | 60% | 0.599 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -33.4 | -173.6 | -53.6 | -38 | 0 | 0 | 0 | 111.3 | E489 | E489-D493 WeakPolarHBondContact O-CA 3.41Å; E489-D493 VanDerWaalsContact O-CB 3.28Å; E489-D493 WeakPolarHBondContact O-CB 3.21Å; E489-D493 PolarHBondContact O-N 3.06Å |
| 494 | C | 89.5 | Confident | 90.1 | Very high | 39 Ų | 39 | 30.7 Ų | 30.7 | 26% | 0.264 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -7.4 | 178.7 | -55.9 | 0 | 0 | 0 | 0 | 114.3 | V432 E489 L490 L496 | V432-C494 HydrophobicContact CG1-CB 3.74Å; E489-C494 PolarHBondContact O-N 2.83Å; E489-C494 VanDerWaalsContact O-N 3.13Å; L490-C494 CarbonylContact O-C 3.51Å; L490-C494 VanDerWaalsContact O-CB 3.27Å; L490-C494 WeakPolarHBondContact O-CB 3.4Å; C494-L496 VanDerWaalsContact C-N 3.31Å; C494-L496 HydrophobicContact CB-CD1 4.36Å; C494-L496 HydrophobicContact CB-CG 3.96Å; C494-L496 PolarHBondContact O-N 3.44Å |
| 495 | N | 88.6 | Confident | 90.1 | Very high | 124 Ų | 124 | 30.5 Ų | 30.5 | 66% | 0.663 | 16% | 0.163 | S | C | * | . | trans | 53.4 | 44.1 | -179.3 | -164.8 | 44.1 | 0 | 0 | 0 | 113.3 | L490 V491 | L490-N495 PolarHBondContact O-N 2.99Å; V491-N495 WeakPolarHBondContact O-CA 3.21Å; V491-N495 PolarHBondContact O-N 2.76Å | ||
| 496 | L | 91.5 | Very high | 90.2 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | trans | -91.9 | 148.8 | 176.5 | -58.9 | -174.1 | 0 | 0 | 0 | 111.7 | V432 A435 A436 L490 C494 L504 | V432-L496 HydrophobicContact CG1-CD1 4.47Å; V432-L496 HydrophobicContact CG1-CD2 4.42Å; V432-L496 HydrophobicContact CG2-CD1 4.43Å; A435-L496 HydrophobicContact CB-CD1 3.87Å; A435-L496 HydrophobicContact CB-CD2 3.66Å; A435-L496 HydrophobicContact CB-CG 4.37Å; A436-L496 HydrophobicContact CB-CD2 3.73Å; L490-L496 HydrophobicContact CB-CD1 4.29Å; L490-L496 HydrophobicContact CD2-CD1 4.14Å; L490-L496 WeakPolarHBondContact O-CB 3.25Å; L490-L496 WeakPolarHBondContact O-CG 3.44Å; L490-L496 PolarHBondContact O-N 3.47Å; L490-L496 VanDerWaalsContact O-N 3.11Å; C494-L496 VanDerWaalsContact C-N 3.31Å; C494-L496 HydrophobicContact CB-CD1 4.36Å; C494-L496 HydrophobicContact CB-CG 3.96Å; C494-L496 PolarHBondContact O-N 3.44Å; L496-L504 HydrophobicContact CD1-CD1 4.27Å | ||
| 497 | D | 88.2 | Confident | 90.3 | Very high | 65 Ų | 65 | 30.1 Ų | 30.1 | 35% | 0.348 | 16% | 0.16 | S | C | . | . | trans | -62.2 | 147.2 | 169.9 | -58.4 | -44.9 | 0 | 0 | 0 | 110.9 | R438 D499 V500 A501 | R438-D497 IonicContact CZ-OD2 3.41Å; R438-D497 IonicContact NH2-OD2 3.21Å; R438-D497 PolarHBondContact NH2-OD2 3.35Å; D497-D499 VanDerWaalsContact C-N 3.31Å; D497-D499 WeakPolarHBondContact CB-OD1 3.18Å; D497-D499 PolarHBondContact O-N 2.96Å; D497-V500 PolarHBondContact O-N 3.06Å; D497-A501 WeakPolarHBondContact O-CB 3.48Å; D497-A501 PolarHBondContact O-N 3.14Å | ||
| 498 | I | 87.1 | Confident | 90.5 | Very high | 41 Ų | 41 | 30 Ų | 30 | 21% | 0.21 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -37.2 | -174.2 | -171.6 | 61.8 | 0 | 0 | 0 | 112.6 | V487 V491 A501 M502 F547 | V487-I498 HydrophobicContact CG1-CD1 3.64Å; V491-I498 HydrophobicContact CG2-CD1 4.04Å; I498-A501 PolarHBondContact O-N 3.27Å; I498-M502 HydrophobicContact CD1-CG 4.04Å; I498-M502 HydrophobicContact CD1-SD 4.34Å; I498-M502 HydrophobicContact CG1-CG 4.12Å; I498-M502 VanDerWaalsContact O-CB 3.29Å; I498-M502 WeakPolarHBondContact O-CB 3.1Å; I498-M502 WeakPolarHBondContact O-CG 3.34Å; I498-M502 PolarHBondContact O-N 3.44Å; I498-F547 HydrophobicContact CG1-CE1 4.19Å; I498-F547 HydrophobicContact CG1-CZ 3.95Å |
| 499 | D | 89.8 | Confident | 90.7 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 177.4 | 60.2 | -31 | 0 | 0 | 0 | 111.5 | R438 D497 F503 W551 Q631 F635 | R438-D499 IonicContact CZ-OD2 3.95Å; R438-D499 IonicContact NH1-OD2 3.4Å; R438-D499 PolarHBondContact NH1-OD2 3.29Å; R438-D499 IonicContact NH2-OD1 3.92Å; R438-D499 PolarHBondContact NH2-OD1 2.83Å; R438-D499 IonicContact NH2-OD2 2.84Å; R438-D499 PolarHBondContact NH2-OD2 3.14Å; R438-D499 VanDerWaalsContact NH2-OD2 3.15Å; D497-D499 VanDerWaalsContact C-N 3.31Å; D497-D499 WeakPolarHBondContact CB-OD1 3.18Å; D497-D499 PolarHBondContact O-N 2.96Å; D499-F503 WeakPolarHBondContact O-CB 3.41Å; D499-F503 PolarHBondContact O-N 2.86Å; D499-W551 HydrophobicContact CB-CH2 3.73Å; D499-W551 HydrophobicContact CB-CZ2 4.33Å; D499-W551 HydrophobicContact CB-CZ3 4.39Å; D499-Q631 HydrophobicContact CB-CB 4.32Å; D499-F635 HydrophobicContact CB-CD2 4.41Å; D499-F635 HydrophobicContact CB-CE2 4.47Å |
| 500 | V | 93.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.8 | -40.4 | 179.1 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | A435 R438 L464 D497 M502 F503 L504 F635 | A435-V500 HydrophobicContact CB-CB 4.48Å; A435-V500 HydrophobicContact CB-CG1 3.42Å; A435-V500 VanDerWaalsContact CB-CG1 3.42Å; R438-V500 VanDerWaalsContact NH2-CG2 3.3Å; L464-V500 HydrophobicContact CD2-CG1 3.91Å; D497-V500 PolarHBondContact O-N 3.06Å; V500-M502 VanDerWaalsContact C-N 3.34Å; V500-M502 PolarHBondContact O-N 3.42Å; V500-F503 WeakPolarHBondContact O-CB 3.27Å; V500-F503 PolarHBondContact O-N 3.04Å; V500-L504 HydrophobicContact CG1-CD1 4.22Å; V500-L504 HydrophobicContact CG1-CG 4.4Å; V500-L504 WeakPolarHBondContact O-CG 3.22Å; V500-L504 PolarHBondContact O-N 3.24Å; V500-F635 HydrophobicContact CB-CE2 4.42Å; V500-F635 HydrophobicContact CG2-CE2 3.76Å; V500-F635 HydrophobicContact CG2-CZ 4.17Å |
| 501 | A | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V487 L490 V491 D497 I498 L504 A505 | V487-A501 HydrophobicContact CG1-CB 4.4Å; L490-A501 HydrophobicContact CB-CB 3.85Å; L490-A501 HydrophobicContact CD1-CB 4.27Å; V491-A501 HydrophobicContact CG2-CB 3.73Å; D497-A501 WeakPolarHBondContact O-CB 3.48Å; D497-A501 PolarHBondContact O-N 3.14Å; I498-A501 PolarHBondContact O-N 3.27Å; A501-L504 PolarHBondContact O-N 3.44Å; A501-A505 WeakPolarHBondContact O-CB 3.48Å; A501-A505 PolarHBondContact O-N 2.69Å |
| 502 | M | 92.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 175.7 | -70.1 | -57.6 | -81.3 | 0 | 0 | 112 | V487 I498 V500 R506 F547 V548 W551 | V487-M502 HydrophobicContact CB-SD 4.25Å; V487-M502 HydrophobicContact CG1-SD 3.92Å; V487-M502 HydrophobicContact CG2-SD 3.4Å; V487-M502 WeakPolarHBondContact CG2-SD 3.32Å; I498-M502 HydrophobicContact CD1-CG 4.04Å; I498-M502 HydrophobicContact CD1-SD 4.34Å; I498-M502 HydrophobicContact CG1-CG 4.12Å; I498-M502 VanDerWaalsContact O-CB 3.29Å; I498-M502 WeakPolarHBondContact O-CB 3.1Å; I498-M502 WeakPolarHBondContact O-CG 3.34Å; I498-M502 PolarHBondContact O-N 3.44Å; V500-M502 VanDerWaalsContact C-N 3.34Å; V500-M502 PolarHBondContact O-N 3.42Å; M502-R506 WeakPolarHBondContact O-CB 3.28Å; M502-R506 PolarHBondContact O-N 2.97Å; M502-F547 HydrophobicContact CE-CD1 4.34Å; M502-F547 HydrophobicContact CE-CE1 4.09Å; M502-F547 HydrophobicContact CG-CE1 4.36Å; M502-F547 HydrophobicContact SD-CE1 4.36Å; M502-V548 HydrophobicContact CE-CB 4.21Å; M502-V548 HydrophobicContact CE-CG1 4.01Å; M502-V548 HydrophobicContact CE-CG2 4.2Å; M502-W551 HydrophobicContact CB-CB 3.94Å; M502-W551 HydrophobicContact CB-CD2 3.83Å; M502-W551 HydrophobicContact CB-CE3 3.81Å; M502-W551 HydrophobicContact CB-CG 3.9Å; M502-W551 HydrophobicContact CE-CB 3.23Å; M502-W551 HydrophobicContact CE-CG 3.79Å; M502-W551 HydrophobicContact CG-CB 4.14Å; M502-W551 HydrophobicContact CG-CD2 4.18Å; M502-W551 HydrophobicContact CG-CG 3.94Å; M502-W551 HydrophobicContact SD-CB 4.47Å |
| 503 | F | 94.5 | Very high | 90.4 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 2% | 0.022 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 174.8 | 169.3 | -106.2 | 0 | 0 | 0 | 112.2 | I465 A468 F472 D499 V500 R506 F635 | I465-F503 HydrophobicContact CG1-CZ 4.46Å; A468-F503 HydrophobicContact CB-CE1 3.43Å; A468-F503 VanDerWaalsContact CB-CE1 3.43Å; A468-F503 HydrophobicContact CB-CZ 3.55Å; F472-F503 AromaticContact CE2-CE2 3.93Å; F472-F503 HydrophobicContact CE2-CE2 3.93Å; F472-F503 AromaticContact CE2-CZ 3.97Å; F472-F503 HydrophobicContact CE2-CZ 3.97Å; F472-F503 HydrophobicContact CZ-CE1 4.46Å; F472-F503 HydrophobicContact CZ-CE2 4.29Å; F472-F503 HydrophobicContact CZ-CZ 4.13Å; D499-F503 WeakPolarHBondContact O-CB 3.41Å; D499-F503 PolarHBondContact O-N 2.86Å; V500-F503 WeakPolarHBondContact O-CB 3.27Å; V500-F503 PolarHBondContact O-N 3.04Å; F503-R506 VanDerWaalsContact O-CB 3.28Å; F503-R506 WeakPolarHBondContact O-CB 3.37Å; F503-R506 PolarHBondContact O-N 3.43Å; F503-F635 HydrophobicContact CB-CE1 3.82Å; F503-F635 HydrophobicContact CB-CE2 4.48Å; F503-F635 HydrophobicContact CB-CZ 3.74Å; F503-F635 AromaticContact CD1-CE1 3.59Å; F503-F635 HydrophobicContact CD1-CE1 3.59Å; F503-F635 AromaticContact CD1-CZ 3.73Å; F503-F635 HydrophobicContact CD1-CZ 3.73Å; F503-F635 HydrophobicContact CD2-CD1 4.15Å; F503-F635 AromaticContact CD2-CE1 3.58Å; F503-F635 HydrophobicContact CD2-CE1 3.58Å; F503-F635 HydrophobicContact CD2-CZ 4.34Å; F503-F635 AromaticContact CE1-CE1 3.98Å; F503-F635 HydrophobicContact CE1-CE1 3.98Å; F503-F635 HydrophobicContact CE1-CZ 4.42Å; F503-F635 AromaticContact CE2-CE1 3.98Å; F503-F635 HydrophobicContact CE2-CE1 3.98Å; F503-F635 HydrophobicContact CG-CD1 4.29Å; F503-F635 AromaticContact CG-CE1 3.37Å; F503-F635 HydrophobicContact CG-CE1 3.37Å; F503-F635 AromaticContact CG-CZ 3.68Å; F503-F635 HydrophobicContact CG-CZ 3.68Å; F503-F635 HydrophobicContact CZ-CE1 4.17Å |
| 504 | L | 95.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.2 | -39.8 | 179.2 | -68.4 | 176.5 | 0 | 0 | 0 | 112.3 | C431 A435 L464 A468 Y480 L490 L496 V500 A501 R506 P507 | C431-L504 HydrophobicContact CB-CD1 4.17Å; C431-L504 HydrophobicContact CB-CD2 4.03Å; A435-L504 HydrophobicContact CB-CD1 4.48Å; L464-L504 HydrophobicContact CD1-CD2 4.38Å; A468-L504 HydrophobicContact CB-CD2 4.49Å; Y480-L504 PolarHBondContact OH-O 3.17Å; L490-L504 HydrophobicContact CD1-CB 4.13Å; L496-L504 HydrophobicContact CD1-CD1 4.27Å; V500-L504 HydrophobicContact CG1-CD1 4.22Å; V500-L504 HydrophobicContact CG1-CG 4.4Å; V500-L504 WeakPolarHBondContact O-CG 3.22Å; V500-L504 PolarHBondContact O-N 3.24Å; A501-L504 PolarHBondContact O-N 3.44Å; L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 2.86Å; L504-P507 VanDerWaalsContact O-CD 3.24Å; L504-P507 WeakPolarHBondContact O-CD 3.04Å |
| 505 | A | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -77.4 | -11.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V487 L490 A501 P507 S508 Y509 | V487-A505 HydrophobicContact CG2-CB 3.61Å; L490-A505 HydrophobicContact CD1-CB 4.46Å; A501-A505 WeakPolarHBondContact O-CB 3.48Å; A501-A505 PolarHBondContact O-N 2.69Å; A505-P507 VanDerWaalsContact C-CD 3.49Å; A505-S508 WeakPolarHBondContact O-CB 3.4Å; A505-S508 PolarHBondContact O-N 3.48Å; A505-Y509 HydrophobicContact CB-CD2 3.98Å; A505-Y509 HydrophobicContact CB-CE2 3.51Å; A505-Y509 VanDerWaalsContact O-CD2 3.32Å; A505-Y509 WeakPolarHBondContact O-CD2 3.45Å; A505-Y509 PolarHBondContact O-N 3.25Å; A505-Y509 VanDerWaalsContact O-N 3.12Å |
| 506 | R | 92.6 | Very high | 89.7 | Confident | 24 Ų | 24 | 26.8 Ų | 26.8 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -50.1 | -47.7 | -176.3 | -171.3 | -173.4 | -63.9 | 163.5 | 0.3 | 114.1 | M502 F503 L504 S508 Y509 S510 W551 T552 R632 D639 | M502-R506 WeakPolarHBondContact O-CB 3.28Å; M502-R506 PolarHBondContact O-N 2.97Å; F503-R506 VanDerWaalsContact O-CB 3.28Å; F503-R506 WeakPolarHBondContact O-CB 3.37Å; F503-R506 PolarHBondContact O-N 3.43Å; L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 2.86Å; R506-S508 VanDerWaalsContact C-N 3.3Å; R506-S508 PolarHBondContact O-N 3.42Å; R506-Y509 PolarHBondContact O-N 3.23Å; R506-S510 WeakPolarHBondContact O-CB 3.33Å; R506-S510 PolarHBondContact O-N 3.47Å; R506-W551 PolarHBondContact NE-O 2.93Å; R506-W551 VanDerWaalsContact NE-O 3.15Å; R506-T552 VanDerWaalsContact CG-O 3.23Å; R506-T552 WeakPolarHBondContact CG-O 3.39Å; R506-R632 VanDerWaalsContact CZ-NH2 3.28Å; R506-D639 IonicContact CZ-OD1 3.49Å; R506-D639 IonicContact NH1-OD1 3.74Å; R506-D639 PolarHBondContact NH1-OD1 3.12Å; R506-D639 IonicContact NH1-OD2 3.75Å; R506-D639 IonicContact NH2-OD1 3.74Å; R506-D639 PolarHBondContact NH2-OD1 3.43Å; R506-D639 IonicContact NH2-OD2 2.76Å |
| 507 | P | 92.5 | Very high | 89.1 | Confident | 29 Ų | 29 | 28.9 Ų | 28.9 | 19% | 0.188 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.3 | -34.8 | 179.3 | -16.2 | 29.9 | 0 | 0 | 0 | 112.5 | F472 Y480 L504 A505 S510 H511 | F472-P507 HydrophobicContact CD1-CB 4.32Å; F472-P507 HydrophobicContact CD1-CG 3.26Å; F472-P507 HydrophobicContact CD2-CG 4.5Å; F472-P507 HydrophobicContact CE1-CG 3.14Å; F472-P507 HydrophobicContact CE2-CG 4.39Å; F472-P507 HydrophobicContact CG-CG 3.99Å; F472-P507 HydrophobicContact CZ-CG 3.75Å; Y480-P507 HydrophobicContact CD1-CB 3.95Å; Y480-P507 HydrophobicContact CD1-CG 4.29Å; Y480-P507 HydrophobicContact CE1-CB 3.86Å; Y480-P507 HydrophobicContact CE1-CG 3.72Å; L504-P507 VanDerWaalsContact O-CD 3.24Å; L504-P507 WeakPolarHBondContact O-CD 3.04Å; A505-P507 VanDerWaalsContact C-CD 3.49Å; P507-S510 PolarHBondContact O-N 3.18Å; P507-H511 WeakPolarHBondContact O-CB 3.42Å; P507-H511 PolarHBondContact O-N 3.4Å |
| 508 | S | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | A505 R506 H511 M512 | A505-S508 WeakPolarHBondContact O-CB 3.4Å; A505-S508 PolarHBondContact O-N 3.48Å; R506-S508 VanDerWaalsContact C-N 3.3Å; R506-S508 PolarHBondContact O-N 3.42Å; S508-H511 PolarHBondContact O-N 3.25Å; S508-M512 VanDerWaalsContact O-CG 3.32Å; S508-M512 WeakPolarHBondContact O-CG 3.4Å; S508-M512 PolarHBondContact O-N 3.12Å |
| 509 | Y | 89.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 175 | -65.3 | -56.6 | 0 | 0 | 0 | 112.8 | L486 V487 A505 R506 H511 M512 I513 Y520 T552 | L486-Y509 HydrophobicContact CD2-CE1 4.21Å; V487-Y509 HydrophobicContact CG2-CE2 3.6Å; V487-Y509 VanDerWaalsContact CG2-OH 3.28Å; V487-Y509 WeakPolarHBondContact CG2-OH 3.38Å; A505-Y509 HydrophobicContact CB-CD2 3.98Å; A505-Y509 HydrophobicContact CB-CE2 3.51Å; A505-Y509 VanDerWaalsContact O-CD2 3.32Å; A505-Y509 WeakPolarHBondContact O-CD2 3.45Å; A505-Y509 PolarHBondContact O-N 3.25Å; A505-Y509 VanDerWaalsContact O-N 3.12Å; R506-Y509 PolarHBondContact O-N 3.23Å; Y509-H511 VanDerWaalsContact C-N 3.3Å; Y509-H511 PolarHBondContact O-N 2.82Å; Y509-M512 HydrophobicContact CD1-SD 4.19Å; Y509-M512 WeakPolarHBondContact O-CB 3.33Å; Y509-M512 PolarHBondContact O-N 3.42Å; Y509-I513 WeakPolarHBondContact O-CG1 3.49Å; Y509-I513 PolarHBondContact O-N 3.33Å; Y509-Y520 HydrophobicContact CD1-CD2 4.11Å; Y509-Y520 HydrophobicContact CD1-CE2 4.17Å; Y509-Y520 HydrophobicContact CG-CD2 4.49Å; Y509-Y520 HydrophobicContact CG-CE2 4.26Å; Y509-T552 VanDerWaalsContact CB-CG2 3.42Å |
| 510 | S | 88.3 | Confident | 87.5 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 12% | 0.119 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | R506 P507 I513 K514 | R506-S510 WeakPolarHBondContact O-CB 3.33Å; R506-S510 PolarHBondContact O-N 3.47Å; P507-S510 PolarHBondContact O-N 3.18Å; S510-I513 PolarHBondContact O-N 3.17Å; S510-K514 WeakPolarHBondContact O-CG 3.33Å; S510-K514 PolarHBondContact O-N 3.03Å |
| 511 | H | 89.2 | Confident | 86.8 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 173.8 | -178.3 | 70.8 | 0 | 0 | 0 | 111.8 | P477 V481 P507 S508 Y509 I513 K514 V515 | P477-H511 HydrophobicContact CB-CB 4.16Å; P477-H511 WeakPolarHBondContact CB-ND1 3.43Å; V481-H511 HydrophobicContact CG2-CB 4.34Å; P507-H511 WeakPolarHBondContact O-CB 3.42Å; P507-H511 PolarHBondContact O-N 3.4Å; S508-H511 PolarHBondContact O-N 3.25Å; Y509-H511 VanDerWaalsContact C-N 3.3Å; Y509-H511 PolarHBondContact O-N 2.82Å; H511-I513 VanDerWaalsContact C-N 3.32Å; H511-I513 PolarHBondContact O-N 2.9Å; H511-K514 WeakPolarHBondContact O-CB 3.32Å; H511-K514 PolarHBondContact O-N 2.8Å; H511-K514 VanDerWaalsContact O-N 3.13Å; H511-V515 WeakPolarHBondContact O-CG2 3.46Å; H511-V515 PolarHBondContact O-N 2.92Å |
| 512 | M | 87.2 | Confident | 85.7 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 175.3 | -70 | 176.1 | -176.6 | 0 | 0 | 112 | L486 S508 Y509 K514 V515 S516 L519 | L486-M512 HydrophobicContact CD1-CE 4.24Å; L486-M512 HydrophobicContact CD2-CE 4.19Å; S508-M512 VanDerWaalsContact O-CG 3.32Å; S508-M512 WeakPolarHBondContact O-CG 3.4Å; S508-M512 PolarHBondContact O-N 3.12Å; Y509-M512 HydrophobicContact CD1-SD 4.19Å; Y509-M512 WeakPolarHBondContact O-CB 3.33Å; Y509-M512 PolarHBondContact O-N 3.42Å; M512-K514 VanDerWaalsContact C-N 3.32Å; M512-K514 PolarHBondContact O-N 3.13Å; M512-V515 PolarHBondContact O-N 3.17Å; M512-S516 CarbonylContact O-C 3.45Å; M512-S516 PolarHBondContact O-N 2.93Å; M512-L519 HydrophobicContact CB-CD2 4.3Å; M512-L519 HydrophobicContact CG-CD2 3.97Å; M512-L519 HydrophobicContact CG-CG 4.33Å |
| 513 | I | 84 | Confident | 84.7 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.6 | -69.9 | 172 | 0 | 0 | 0 | 111.3 | Y509 S510 H511 V515 W517 Y520 T552 R601 | Y509-I513 WeakPolarHBondContact O-CG1 3.49Å; Y509-I513 PolarHBondContact O-N 3.33Å; S510-I513 PolarHBondContact O-N 3.17Å; H511-I513 VanDerWaalsContact C-N 3.32Å; H511-I513 PolarHBondContact O-N 2.9Å; I513-V515 VanDerWaalsContact C-N 3.32Å; I513-V515 PolarHBondContact O-N 3.4Å; I513-W517 HydrophobicContact CD1-CH2 4.38Å; I513-W517 HydrophobicContact CD1-CZ3 4.19Å; I513-W517 HydrophobicContact CG1-CE3 4.34Å; I513-W517 HydrophobicContact CG1-CZ3 4.31Å; I513-W517 HydrophobicContact CG2-CD2 4Å; I513-W517 HydrophobicContact CG2-CE3 4.29Å; I513-W517 HydrophobicContact CG2-CH2 3.93Å; I513-W517 HydrophobicContact CG2-CZ2 3.59Å; I513-W517 HydrophobicContact CG2-CZ3 4.25Å; I513-Y520 HydrophobicContact CD1-CD1 4.31Å; I513-Y520 HydrophobicContact CD1-CD2 3.91Å; I513-Y520 HydrophobicContact CD1-CE1 4.21Å; I513-Y520 HydrophobicContact CD1-CE2 3.83Å; I513-Y520 HydrophobicContact CD1-CG 4.13Å; I513-Y520 HydrophobicContact CG1-CD1 4Å; I513-Y520 HydrophobicContact CG1-CD2 3.62Å; I513-Y520 HydrophobicContact CG1-CE1 4.41Å; I513-Y520 HydrophobicContact CG1-CE2 4.09Å; I513-Y520 HydrophobicContact CG1-CG 3.54Å; I513-T552 HydrophobicContact CD1-CG2 3.47Å; I513-T552 VanDerWaalsContact CD1-CG2 3.47Å; I513-R601 VanDerWaalsContact CG2-NH1 3.32Å |
| 514 | K | 82.6 | Confident | 83.6 | Confident | 145 Ų | 145 | 44.6 Ų | 44.6 | 63% | 0.63 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.8 | -36.8 | 176.8 | -73.3 | 174 | -177.7 | 177.6 | 0 | 112.2 | S510 H511 M512 | S510-K514 WeakPolarHBondContact O-CG 3.33Å; S510-K514 PolarHBondContact O-N 3.03Å; H511-K514 WeakPolarHBondContact O-CB 3.32Å; H511-K514 PolarHBondContact O-N 2.8Å; H511-K514 VanDerWaalsContact O-N 3.13Å; M512-K514 VanDerWaalsContact C-N 3.32Å; M512-K514 PolarHBondContact O-N 3.13Å |
| 515 | V | 85.3 | Confident | 82.3 | Confident | 95 Ų | 95 | 46.8 Ų | 46.8 | 58% | 0.576 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -76.9 | -53.4 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | H511 M512 I513 | H511-V515 WeakPolarHBondContact O-CG2 3.46Å; H511-V515 PolarHBondContact O-N 2.92Å; M512-V515 PolarHBondContact O-N 3.17Å; I513-V515 VanDerWaalsContact C-N 3.32Å; I513-V515 PolarHBondContact O-N 3.4Å |
| 516 | S | 82.9 | Confident | 81.1 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | trans | -165.9 | 124.7 | 179.5 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | M512 L518 L519 Y520 | M512-S516 CarbonylContact O-C 3.45Å; M512-S516 PolarHBondContact O-N 2.93Å; S516-L518 PolarHBondContact O-N 3.22Å; S516-L518 VanDerWaalsContact O-N 3.14Å; S516-L518 PolarHBondContact OG-N 3.48Å; S516-L519 WeakPolarHBondContact O-CB 3.3Å; S516-L519 PolarHBondContact O-N 3.31Å; S516-Y520 PolarHBondContact O-N 3.08Å | ||
| 517 | W | 78.7 | Confident | 79.9 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 21% | 0.205 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.7 | -29.4 | 170.5 | -76.3 | 94.1 | 0 | 0 | 0 | 113.2 | I513 Y520 F521 L549 L604 R608 | I513-W517 HydrophobicContact CD1-CH2 4.38Å; I513-W517 HydrophobicContact CD1-CZ3 4.19Å; I513-W517 HydrophobicContact CG1-CE3 4.34Å; I513-W517 HydrophobicContact CG1-CZ3 4.31Å; I513-W517 HydrophobicContact CG2-CD2 4Å; I513-W517 HydrophobicContact CG2-CE3 4.29Å; I513-W517 HydrophobicContact CG2-CH2 3.93Å; I513-W517 HydrophobicContact CG2-CZ2 3.59Å; I513-W517 HydrophobicContact CG2-CZ3 4.25Å; W517-Y520 HydrophobicContact CE3-CD1 4.05Å; W517-Y520 HydrophobicContact CE3-CE1 4.46Å; W517-Y520 HydrophobicContact CZ3-CD1 4.31Å; W517-Y520 HydrophobicContact CZ3-CE1 4.28Å; W517-Y520 WeakPolarHBondContact O-CB 3.19Å; W517-Y520 PolarHBondContact O-N 3.28Å; W517-F521 HydrophobicContact CB-CD2 4.44Å; W517-F521 HydrophobicContact CB-CE2 3.96Å; W517-F521 HydrophobicContact CE3-CE2 4.16Å; W517-F521 AromaticContact CE3-CZ 3.82Å; W517-F521 HydrophobicContact CE3-CZ 3.82Å; W517-F521 HydrophobicContact CZ3-CZ 4.42Å; W517-F521 WeakPolarHBondContact O-CD2 3.31Å; W517-F521 WeakPolarHBondContact O-CG 3.48Å; W517-F521 PolarHBondContact O-N 3.42Å; W517-L549 HydrophobicContact CH2-CD1 4.2Å; W517-L549 HydrophobicContact CZ3-CD1 4.09Å; W517-L604 HydrophobicContact CZ2-CD2 3.78Å; W517-R608 HydrophobicContact CH2-CB 4.36Å; W517-R608 HydrophobicContact CH2-CG 3.98Å; W517-R608 HydrophobicContact CZ2-CB 4.43Å; W517-R608 HydrophobicContact CZ2-CG 4.35Å; W517-R608 HydrophobicContact CZ3-CG 4.14Å |
| 518 | L | 77.8 | Confident | 78.5 | Confident | 137 Ų | 137 | 52.9 Ų | 52.9 | 72% | 0.717 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 177.1 | -67 | 173.3 | 0 | 0 | 0 | 112 | S516 Y520 F521 W522 | S516-L518 PolarHBondContact O-N 3.22Å; S516-L518 VanDerWaalsContact O-N 3.14Å; S516-L518 PolarHBondContact OG-N 3.48Å; L518-Y520 VanDerWaalsContact C-N 3.28Å; L518-Y520 PolarHBondContact O-N 2.65Å; L518-F521 PolarHBondContact O-N 2.57Å; L518-W522 WeakPolarHBondContact O-CB 3.43Å; L518-W522 PolarHBondContact O-N 3.05Å |
| 519 | L | 76.5 | Confident | 76.5 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 177.3 | -171 | 69 | 0 | 0 | 0 | 110.7 | M512 S516 W522 S523 | M512-L519 HydrophobicContact CB-CD2 4.3Å; M512-L519 HydrophobicContact CG-CD2 3.97Å; M512-L519 HydrophobicContact CG-CG 4.33Å; S516-L519 WeakPolarHBondContact O-CB 3.3Å; S516-L519 PolarHBondContact O-N 3.31Å; L519-W522 PolarHBondContact O-N 3.45Å; L519-S523 PolarHBondContact O-N 3.45Å; L519-S523 VanDerWaalsContact O-N 3.1Å |
| 520 | Y | 78.2 | Confident | 74.9 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 173.6 | 172.9 | -104.2 | 0 | 0 | 0 | 112.9 | Y509 I513 S516 W517 L518 W522 S523 I524 V548 L549 T552 | Y509-Y520 HydrophobicContact CD1-CD2 4.11Å; Y509-Y520 HydrophobicContact CD1-CE2 4.17Å; Y509-Y520 HydrophobicContact CG-CD2 4.49Å; Y509-Y520 HydrophobicContact CG-CE2 4.26Å; I513-Y520 HydrophobicContact CD1-CD1 4.31Å; I513-Y520 HydrophobicContact CD1-CD2 3.91Å; I513-Y520 HydrophobicContact CD1-CE1 4.21Å; I513-Y520 HydrophobicContact CD1-CE2 3.83Å; I513-Y520 HydrophobicContact CD1-CG 4.13Å; I513-Y520 HydrophobicContact CG1-CD1 4Å; I513-Y520 HydrophobicContact CG1-CD2 3.62Å; I513-Y520 HydrophobicContact CG1-CE1 4.41Å; I513-Y520 HydrophobicContact CG1-CE2 4.09Å; I513-Y520 HydrophobicContact CG1-CG 3.54Å; S516-Y520 PolarHBondContact O-N 3.08Å; W517-Y520 HydrophobicContact CE3-CD1 4.05Å; W517-Y520 HydrophobicContact CE3-CE1 4.46Å; W517-Y520 HydrophobicContact CZ3-CD1 4.31Å; W517-Y520 HydrophobicContact CZ3-CE1 4.28Å; W517-Y520 WeakPolarHBondContact O-CB 3.19Å; W517-Y520 PolarHBondContact O-N 3.28Å; L518-Y520 VanDerWaalsContact C-N 3.28Å; L518-Y520 PolarHBondContact O-N 2.65Å; Y520-W522 VanDerWaalsContact C-N 3.28Å; Y520-W522 PolarHBondContact O-N 3.38Å; Y520-S523 PolarHBondContact O-N 2.9Å; Y520-S523 PolarHBondContact O-OG 3.47Å; Y520-I524 HydrophobicContact CD1-CD1 3.86Å; Y520-I524 HydrophobicContact CE1-CD1 3.3Å; Y520-I524 HydrophobicContact CE1-CG1 4.41Å; Y520-I524 HydrophobicContact CE2-CD1 4.01Å; Y520-I524 HydrophobicContact CE2-CG1 4.41Å; Y520-I524 HydrophobicContact CG-CD1 4.44Å; Y520-I524 VanDerWaalsContact CZ-CD1 3.41Å; Y520-I524 WeakPolarHBondContact O-CG1 3.28Å; Y520-I524 PolarHBondContact O-N 2.94Å; Y520-V548 HydrophobicContact CE2-CG1 4.06Å; Y520-V548 VanDerWaalsContact OH-C 3.28Å; Y520-V548 PolarHBondContact OH-O 2.96Å; Y520-L549 WeakPolarHBondContact OH-CA 3.43Å; Y520-L549 PolarHBondContact OH-N 2.62Å; Y520-L549 VanDerWaalsContact OH-N 3.15Å; Y520-T552 HydrophobicContact CE2-CG2 4Å; Y520-T552 PolarHBondContact OH-OG1 3.24Å |
| 521 | F | 77.5 | Confident | 73.1 | Confident | 50 Ų | 50 | 74.5 Ų | 74.5 | 22% | 0.219 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 176.3 | -68.1 | -51 | 0 | 0 | 0 | 112.6 | W517 L518 I524 A525 K545 R608 | W517-F521 HydrophobicContact CB-CD2 4.44Å; W517-F521 HydrophobicContact CB-CE2 3.96Å; W517-F521 HydrophobicContact CE3-CE2 4.16Å; W517-F521 AromaticContact CE3-CZ 3.82Å; W517-F521 HydrophobicContact CE3-CZ 3.82Å; W517-F521 HydrophobicContact CZ3-CZ 4.42Å; W517-F521 WeakPolarHBondContact O-CD2 3.31Å; W517-F521 WeakPolarHBondContact O-CG 3.48Å; W517-F521 PolarHBondContact O-N 3.42Å; L518-F521 PolarHBondContact O-N 2.57Å; F521-I524 HydrophobicContact CD1-CD1 4.3Å; F521-I524 PolarHBondContact O-N 3.32Å; F521-A525 PolarHBondContact O-N 3.28Å; F521-K545 HydrophobicContact CD1-CD 4.24Å; F521-K545 HydrophobicContact CD1-CG 4.39Å; F521-K545 HydrophobicContact CE1-CD 3.83Å; F521-K545 HydrophobicContact CE1-CG 3.98Å; F521-R608 VanDerWaalsContact CE2-NH2 3.27Å |
| 522 | W | 70.6 | Confident | 71.5 | Confident | 171 Ų | 171 | 76.2 Ų | 76.2 | 65% | 0.648 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66 | -38.7 | 176.2 | -164.7 | 72.2 | 0 | 0 | 0 | 112.2 | L518 L519 Y520 A525 Q526 | L518-W522 WeakPolarHBondContact O-CB 3.43Å; L518-W522 PolarHBondContact O-N 3.05Å; L519-W522 PolarHBondContact O-N 3.45Å; Y520-W522 VanDerWaalsContact C-N 3.28Å; Y520-W522 PolarHBondContact O-N 3.38Å; W522-A525 PolarHBondContact O-N 3.06Å; W522-Q526 PolarHBondContact O-N 3.34Å |
| 523 | S | 71.6 | Confident | 69.8 | Low | 7 Ų | 7 | 75.2 Ų | 75.2 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 175.3 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | L519 Y520 Q526 I527 | L519-S523 PolarHBondContact O-N 3.45Å; L519-S523 VanDerWaalsContact O-N 3.1Å; Y520-S523 PolarHBondContact O-N 2.9Å; Y520-S523 PolarHBondContact O-OG 3.47Å; S523-Q526 WeakPolarHBondContact O-CB 3.37Å; S523-Q526 PolarHBondContact O-N 3.3Å; S523-I527 PolarHBondContact O-N 2.67Å |
| 524 | I | 71.5 | Confident | 68 | Low | 5 Ų | 5 | 75.7 Ų | 75.7 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 171.1 | -68.2 | 172.5 | 0 | 0 | 0 | 111.1 | Y520 F521 Q526 I527 E528 V548 | Y520-I524 HydrophobicContact CD1-CD1 3.86Å; Y520-I524 HydrophobicContact CE1-CD1 3.3Å; Y520-I524 HydrophobicContact CE1-CG1 4.41Å; Y520-I524 HydrophobicContact CE2-CD1 4.01Å; Y520-I524 HydrophobicContact CE2-CG1 4.41Å; Y520-I524 HydrophobicContact CG-CD1 4.44Å; Y520-I524 VanDerWaalsContact CZ-CD1 3.41Å; Y520-I524 WeakPolarHBondContact O-CG1 3.28Å; Y520-I524 PolarHBondContact O-N 2.94Å; F521-I524 HydrophobicContact CD1-CD1 4.3Å; F521-I524 PolarHBondContact O-N 3.32Å; I524-Q526 PolarHBondContact O-N 3.24Å; I524-Q526 VanDerWaalsContact O-N 3.13Å; I524-I527 WeakPolarHBondContact O-CA 3.39Å; I524-I527 WeakPolarHBondContact O-CB 3.42Å; I524-I527 PolarHBondContact O-N 3.12Å; I524-E528 PolarHBondContact O-N 3.19Å; I524-E528 VanDerWaalsContact O-N 3.07Å; I524-V548 HydrophobicContact CD1-CB 3.92Å; I524-V548 HydrophobicContact CD1-CG1 3.9Å; I524-V548 HydrophobicContact CG1-CB 3.97Å; I524-V548 HydrophobicContact CG1-CG1 3.72Å; I524-V548 HydrophobicContact CG1-CG2 4.22Å; I524-V548 HydrophobicContact CG2-CG2 4.43Å |
| 525 | A | 66.9 | Low | 66.7 | Low | 46 Ų | 46 | 70.3 Ų | 70.3 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.4 | -27.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F521 W522 F529 | F521-A525 PolarHBondContact O-N 3.28Å; W522-A525 PolarHBondContact O-N 3.06Å; A525-F529 WeakPolarHBondContact O-CB 3.46Å; A525-F529 PolarHBondContact O-N 3.16Å; A525-F529 VanDerWaalsContact O-N 3.13Å |
| 526 | Q | 67.6 | Low | 65.4 | Low | 83 Ų | 83 | 73.1 Ų | 73.1 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.6 | -34.5 | 173 | -65.2 | -172.3 | -9.2 | 0 | 0 | 113.2 | W522 S523 I524 E528 F529 R530 | W522-Q526 PolarHBondContact O-N 3.34Å; S523-Q526 WeakPolarHBondContact O-CB 3.37Å; S523-Q526 PolarHBondContact O-N 3.3Å; I524-Q526 PolarHBondContact O-N 3.24Å; I524-Q526 VanDerWaalsContact O-N 3.13Å; Q526-E528 VanDerWaalsContact C-N 3.31Å; Q526-F529 PolarHBondContact O-N 3Å; Q526-R530 PolarHBondContact O-N 3.17Å |
| 527 | I | 68.1 | Low | 64.3 | Low | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 172.6 | -54.4 | 175 | 0 | 0 | 0 | 109.4 | V487 P488 S523 I524 F529 T533 T534 L537 V548 | V487-I527 HydrophobicContact CB-CD1 4.48Å; P488-I527 HydrophobicContact CG-CG1 3.94Å; S523-I527 PolarHBondContact O-N 2.67Å; I524-I527 WeakPolarHBondContact O-CA 3.39Å; I524-I527 WeakPolarHBondContact O-CB 3.42Å; I524-I527 PolarHBondContact O-N 3.12Å; I527-F529 VanDerWaalsContact C-N 3.27Å; I527-F529 PolarHBondContact O-N 3.07Å; I527-T533 HydrophobicContact CG2-CG2 3.8Å; I527-T534 VanDerWaalsContact O-CG2 3.23Å; I527-T534 WeakPolarHBondContact O-CG2 3.41Å; I527-L537 HydrophobicContact CG2-CD1 3.46Å; I527-L537 VanDerWaalsContact CG2-CD1 3.46Å; I527-V548 HydrophobicContact CD1-CG2 4.02Å |
| 528 | E | 62 | Low | 63.1 | Low | 94 Ų | 94 | 73.8 Ų | 73.8 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -26.2 | 175.7 | -68.3 | 179.9 | 174.7 | 0 | 0 | 113.3 | I524 Q526 T534 P544 | I524-E528 PolarHBondContact O-N 3.19Å; I524-E528 VanDerWaalsContact O-N 3.07Å; Q526-E528 VanDerWaalsContact C-N 3.31Å; E528-T534 WeakPolarHBondContact O-CG2 3.45Å; E528-P544 HydrophobicContact CG-CB 3.97Å; E528-P544 HydrophobicContact CG-CG 4.15Å; E528-P544 WeakPolarHBondContact OE1-CB 3.44Å; E528-P544 WeakPolarHBondContact OE1-CG 3.38Å |
| 529 | F | 51 | Low | 62 | Low | 184 Ų | 184 | 76 Ų | 76 | 81% | 0.807 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -84.6 | -25.1 | -177.1 | -160.3 | -97.2 | 0 | 0 | 0 | 113.6 | A525 Q526 I527 K531 | A525-F529 WeakPolarHBondContact O-CB 3.46Å; A525-F529 PolarHBondContact O-N 3.16Å; A525-F529 VanDerWaalsContact O-N 3.13Å; Q526-F529 PolarHBondContact O-N 3Å; I527-F529 VanDerWaalsContact C-N 3.27Å; I527-F529 PolarHBondContact O-N 3.07Å; F529-K531 PolarHBondContact O-N 3.24Å |
| 530 | R | 56.4 | Low | 61.5 | Low | 97 Ų | 97 | 73 Ų | 73 | 37% | 0.366 | 35% | 0.349 | S | S | . | . | trans | -83.6 | 105.1 | 178.1 | -74.5 | -147.8 | -168.6 | -171.3 | 4 | 111.8 | E492 Q526 S532 T533 T534 | E492-R530 WeakPolarHBondContact OE2-CD 3.47Å; E492-R530 IonicContact OE2-CZ 2.93Å; E492-R530 IonicContact OE2-NE 3.48Å; E492-R530 IonicContact OE2-NH1 3.67Å; E492-R530 PolarHBondContact OE2-NH1 3.17Å; Q526-R530 PolarHBondContact O-N 3.17Å; R530-S532 VanDerWaalsContact C-N 3.27Å; R530-S532 PolarHBondContact O-N 3.02Å; R530-S532 VanDerWaalsContact O-N 3.08Å; R530-T533 PolarHBondContact O-N 2.87Å; R530-T534 WeakPolarHBondContact O-CG2 3.44Å; R530-T534 PolarHBondContact O-N 2.93Å; R530-T534 PolarHBondContact O-OG1 3.48Å; R530-T534 VanDerWaalsContact O-OG1 3.1Å | ||
| 531 | K | 49.9 | Very low | 60.9 | Low | 190 Ų | 190 | 76 Ų | 76 | 83% | 0.826 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -32.9 | -175.4 | -73.2 | -173.2 | 178.7 | -179.5 | 0 | 116 | F529 T534 G535 | F529-K531 PolarHBondContact O-N 3.24Å; K531-T534 WeakPolarHBondContact CA-OG1 3.26Å; K531-T534 PolarHBondContact O-OG1 3.15Å; K531-G535 PolarHBondContact O-N 3.21Å |
| 532 | S | 54.9 | Low | 60.5 | Low | 81 Ų | 81 | 74.4 Ų | 74.4 | 57% | 0.566 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -46.8 | -179.4 | 29.4 | 0 | 0 | 0 | 0 | 112.9 | E492 R530 T534 G535 | E492-S532 WeakPolarHBondContact OE1-CB 3.45Å; E492-S532 PolarHBondContact OE1-OG 3.1Å; R530-S532 VanDerWaalsContact C-N 3.27Å; R530-S532 PolarHBondContact O-N 3.02Å; R530-S532 VanDerWaalsContact O-N 3.08Å; S532-T534 PolarHBondContact O-N 2.96Å; S532-G535 PolarHBondContact O-N 3.3Å |
| 533 | T | 51.6 | Low | 60.8 | Low | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.1 | -37 | 170.7 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | E492 I527 R530 G535 | E492-T533 WeakPolarHBondContact CG-OG1 3.43Å; E492-T533 PolarHBondContact OE1-N 3.41Å; E492-T533 PolarHBondContact OE1-OG1 3.22Å; I527-T533 HydrophobicContact CG2-CG2 3.8Å; R530-T533 PolarHBondContact O-N 2.87Å; T533-G535 VanDerWaalsContact C-N 3.27Å; T533-G535 PolarHBondContact O-N 3.17Å |
| 534 | T | 46.9 | Very low | 61 | Low | 16 Ų | 16 | 68.8 Ų | 68.8 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.2 | -12.7 | 174.8 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | I527 E528 R530 K531 S532 Y536 L537 C538 | I527-T534 VanDerWaalsContact O-CG2 3.23Å; I527-T534 WeakPolarHBondContact O-CG2 3.41Å; E528-T534 WeakPolarHBondContact O-CG2 3.45Å; R530-T534 WeakPolarHBondContact O-CG2 3.44Å; R530-T534 PolarHBondContact O-N 2.93Å; R530-T534 PolarHBondContact O-OG1 3.48Å; R530-T534 VanDerWaalsContact O-OG1 3.1Å; K531-T534 WeakPolarHBondContact CA-OG1 3.26Å; K531-T534 PolarHBondContact O-OG1 3.15Å; S532-T534 PolarHBondContact O-N 2.96Å; T534-Y536 PolarHBondContact O-N 3.26Å; T534-L537 CarbonylContact O-C 3.33Å; T534-L537 PolarHBondContact O-N 3.03Å; T534-C538 WeakPolarHBondContact O-CB 3.48Å; T534-C538 PolarHBondContact O-N 3.11Å; T534-C538 PolarHBondContact O-SG 2.95Å |
| 535 | G | 55.6 | Low | 61.3 | Low | 31 Ų | 31 | 70.6 Ų | 70.6 | 32% | 0.32 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -51.2 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K531 S532 T533 Y539 | K531-G535 PolarHBondContact O-N 3.21Å; S532-G535 PolarHBondContact O-N 3.3Å; T533-G535 VanDerWaalsContact C-N 3.27Å; T533-G535 PolarHBondContact O-N 3.17Å; G535-Y539 WeakPolarHBondContact O-CD2 3.43Å; G535-Y539 WeakPolarHBondContact O-CE2 3.49Å |
| 536 | Y | 57.5 | Low | 62.1 | Low | 155 Ų | 155 | 69 Ų | 69 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68.1 | -44 | 173.6 | -72.6 | -85.7 | 0 | 0 | 0 | 113.3 | T534 C538 Y539 | T534-Y536 PolarHBondContact O-N 3.26Å; Y536-C538 VanDerWaalsContact C-N 3.34Å; Y536-C538 PolarHBondContact O-N 3.44Å; Y536-Y539 PolarHBondContact O-N 3.12Å |
| 537 | L | 59 | Low | 62.8 | Low | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.1 | -28.2 | -177.8 | -59.7 | 176.8 | 0 | 0 | 0 | 113.3 | I527 T534 Y539 L540 F547 | I527-L537 HydrophobicContact CG2-CD1 3.46Å; I527-L537 VanDerWaalsContact CG2-CD1 3.46Å; T534-L537 CarbonylContact O-C 3.33Å; T534-L537 PolarHBondContact O-N 3.03Å; L537-Y539 PolarHBondContact O-N 3.06Å; L537-L540 HydrophobicContact CB-CD1 4.28Å; L537-L540 HydrophobicContact CD2-CD1 3.4Å; L537-L540 HydrophobicContact CD2-CG 4.45Å; L537-L540 HydrophobicContact CG-CD1 4.44Å; L537-L540 VanDerWaalsContact O-CB 3.31Å; L537-L540 WeakPolarHBondContact O-CB 3.29Å; L537-L540 PolarHBondContact O-N 3.24Å; L537-F547 HydrophobicContact CD2-CD1 3.6Å; L537-F547 HydrophobicContact CD2-CE1 3.77Å; L537-F547 HydrophobicContact CD2-CG 4.05Å; L537-F547 HydrophobicContact CD2-CZ 4.35Å |
| 538 | C | 53.7 | Low | 63.5 | Low | 98 Ų | 98 | 65.3 Ų | 65.3 | 66% | 0.662 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -22.5 | 177.4 | -77.3 | 0 | 0 | 0 | 0 | 112.4 | T534 Y536 | T534-C538 WeakPolarHBondContact O-CB 3.48Å; T534-C538 PolarHBondContact O-N 3.11Å; T534-C538 PolarHBondContact O-SG 2.95Å; Y536-C538 VanDerWaalsContact C-N 3.34Å; Y536-C538 PolarHBondContact O-N 3.44Å |
| 539 | Y | 55.9 | Low | 64.7 | Low | 184 Ų | 184 | 61 Ų | 61 | 72% | 0.722 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6.9 | 174.2 | -59.5 | -67.7 | 0 | 0 | 0 | 113.2 | G535 Y536 L537 C541 | G535-Y539 WeakPolarHBondContact O-CD2 3.43Å; G535-Y539 WeakPolarHBondContact O-CE2 3.49Å; Y536-Y539 PolarHBondContact O-N 3.12Å; L537-Y539 PolarHBondContact O-N 3.06Å; Y539-C541 PolarHBondContact O-N 3.44Å |
| 540 | L | 64.1 | Low | 66.6 | Low | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | trans | -72.3 | 122.9 | 178.2 | -62.8 | 177 | 0 | 0 | 0 | 109.5 | L537 F542 F547 N627 | L537-L540 HydrophobicContact CB-CD1 4.28Å; L537-L540 HydrophobicContact CD2-CD1 3.4Å; L537-L540 HydrophobicContact CD2-CG 4.45Å; L537-L540 HydrophobicContact CG-CD1 4.44Å; L537-L540 VanDerWaalsContact O-CB 3.31Å; L537-L540 WeakPolarHBondContact O-CB 3.29Å; L537-L540 PolarHBondContact O-N 3.24Å; L540-F542 HydrophobicContact CB-CD1 4.4Å; L540-F542 HydrophobicContact CB-CE1 4.35Å; L540-F542 HydrophobicContact CD1-CE2 4.25Å; L540-F542 HydrophobicContact CD1-CZ 4.26Å; L540-F542 HydrophobicContact CD2-CE1 3.92Å; L540-F542 HydrophobicContact CD2-CZ 3.83Å; L540-F542 HydrophobicContact CG-CZ 4.44Å; L540-F542 PolarHBondContact O-N 2.73Å; L540-F547 HydrophobicContact CD1-CB 3.83Å; L540-F547 HydrophobicContact CD1-CD1 4.43Å; L540-F547 HydrophobicContact CD1-CD2 3.57Å; L540-F547 HydrophobicContact CD1-CE2 4.24Å; L540-F547 HydrophobicContact CD1-CG 3.69Å; L540-F547 HydrophobicContact CD2-CD2 4.31Å; L540-N627 HydrophobicContact CD2-CB 3.67Å | ||
| 541 | C | 66.6 | Low | 68.2 | Low | 64 Ų | 64 | 47.7 Ų | 47.7 | 43% | 0.432 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -77.9 | 23.9 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | Y539 E619 S623 | Y539-C541 PolarHBondContact O-N 3.44Å; C541-E619 HydrophobicContact CB-CB 3.71Å; C541-E619 WeakPolarHBondContact CB-O 3.32Å; C541-S623 PolarHBondContact N-OG 3.36Å |
| 542 | F | 69.6 | Low | 70.1 | Confident | 17 Ų | 17 | 38.7 Ų | 38.7 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -151.9 | 164.5 | 178.9 | 57.7 | -91.2 | 0 | 0 | 0 | 112.6 | L540 F546 F547 F620 S623 F624 | L540-F542 HydrophobicContact CB-CD1 4.4Å; L540-F542 HydrophobicContact CB-CE1 4.35Å; L540-F542 HydrophobicContact CD1-CE2 4.25Å; L540-F542 HydrophobicContact CD1-CZ 4.26Å; L540-F542 HydrophobicContact CD2-CE1 3.92Å; L540-F542 HydrophobicContact CD2-CZ 3.83Å; L540-F542 HydrophobicContact CG-CZ 4.44Å; L540-F542 PolarHBondContact O-N 2.73Å; F542-F546 HydrophobicContact CD2-CB 4.28Å; F542-F546 AromaticContact CD2-CD1 3.59Å; F542-F546 HydrophobicContact CD2-CD1 3.59Å; F542-F546 HydrophobicContact CD2-CE1 4.46Å; F542-F546 HydrophobicContact CD2-CG 4.4Å; F542-F546 AromaticContact CE2-CD1 3.75Å; F542-F546 HydrophobicContact CE2-CD1 3.75Å; F542-F546 HydrophobicContact CE2-CE1 4.43Å; F542-F546 HydrophobicContact CG-CD1 4.39Å; F542-F547 HydrophobicContact CD2-CB 4.41Å; F542-F547 HydrophobicContact CE2-CB 3.64Å; F542-F547 HydrophobicContact CE2-CD2 4.07Å; F542-F547 HydrophobicContact CE2-CG 4.37Å; F542-F547 HydrophobicContact CZ-CB 4.45Å; F542-F547 HydrophobicContact CZ-CD2 4.05Å; F542-F620 HydrophobicContact CB-CD2 3.56Å; F542-F620 HydrophobicContact CB-CE2 3.98Å; F542-F620 AromaticContact CD1-CD2 3.67Å; F542-F620 HydrophobicContact CD1-CD2 3.67Å; F542-F620 HydrophobicContact CD1-CE2 4.03Å; F542-F620 AromaticContact CG-CD2 3.8Å; F542-F620 HydrophobicContact CG-CD2 3.8Å; F542-F620 AromaticContact CG-CE2 3.97Å; F542-F620 HydrophobicContact CG-CE2 3.97Å; F542-S623 WeakPolarHBondContact CE1-OG 3.21Å; F542-F624 HydrophobicContact CE1-CB 4.16Å |
| 543 | S | 76.9 | Confident | 71.9 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | trans | -54.1 | 128.5 | -175.5 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | K545 F546 F547 D614 | S543-K545 PolarHBondContact O-N 3.18Å; S543-K545 VanDerWaalsContact O-N 3.13Å; S543-K545 WeakPolarHBondContact OG-CB 3.42Å; S543-K545 PolarHBondContact OG-N 2.93Å; S543-F546 WeakPolarHBondContact O-CB 3.24Å; S543-F546 PolarHBondContact O-N 3.44Å; S543-F547 PolarHBondContact O-N 3.28Å; S543-F547 VanDerWaalsContact O-N 3.17Å; S543-D614 PolarHBondContact OG-OD2 3.2Å | ||
| 544 | P | 75.5 | Confident | 73.9 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.9 | -30.6 | 173.4 | -23.4 | 32.3 | 0 | 0 | 0 | 112.2 | E528 F546 F547 V548 | E528-P544 HydrophobicContact CG-CB 3.97Å; E528-P544 HydrophobicContact CG-CG 4.15Å; E528-P544 WeakPolarHBondContact OE1-CB 3.44Å; E528-P544 WeakPolarHBondContact OE1-CG 3.38Å; P544-F546 PolarHBondContact O-N 2.81Å; P544-F547 WeakPolarHBondContact O-CB 3.22Å; P544-F547 PolarHBondContact O-N 2.9Å; P544-V548 WeakPolarHBondContact O-CG2 3.46Å; P544-V548 PolarHBondContact O-N 2.57Å |
| 545 | K | 78.1 | Confident | 76 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 18% | 0.183 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -42 | 172.7 | -179.4 | -179.3 | 161.2 | -161.4 | 0 | 112.7 | F521 S543 L549 D612 | F521-K545 HydrophobicContact CD1-CD 4.24Å; F521-K545 HydrophobicContact CD1-CG 4.39Å; F521-K545 HydrophobicContact CE1-CD 3.83Å; F521-K545 HydrophobicContact CE1-CG 3.98Å; S543-K545 PolarHBondContact O-N 3.18Å; S543-K545 VanDerWaalsContact O-N 3.13Å; S543-K545 WeakPolarHBondContact OG-CB 3.42Å; S543-K545 PolarHBondContact OG-N 2.93Å; K545-L549 WeakPolarHBondContact O-CB 3.22Å; K545-L549 PolarHBondContact O-N 3.23Å; K545-D612 WeakPolarHBondContact CE-OD1 3.42Å; K545-D612 WeakPolarHBondContact CE-OD2 3.45Å; K545-D612 IonicContact NZ-OD1 2.63Å; K545-D612 PolarHBondContact NZ-OD1 2.88Å; K545-D612 IonicContact NZ-OD2 3.23Å; K545-D612 PolarHBondContact NZ-OD2 3.36Å |
| 546 | F | 82.3 | Confident | 77.7 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -41 | 175.9 | 178.4 | -97 | 0 | 0 | 0 | 111.2 | F542 S543 P544 L549 F550 F620 F624 F646 L650 F656 | F542-F546 HydrophobicContact CD2-CB 4.28Å; F542-F546 AromaticContact CD2-CD1 3.59Å; F542-F546 HydrophobicContact CD2-CD1 3.59Å; F542-F546 HydrophobicContact CD2-CE1 4.46Å; F542-F546 HydrophobicContact CD2-CG 4.4Å; F542-F546 AromaticContact CE2-CD1 3.75Å; F542-F546 HydrophobicContact CE2-CD1 3.75Å; F542-F546 HydrophobicContact CE2-CE1 4.43Å; F542-F546 HydrophobicContact CG-CD1 4.39Å; S543-F546 WeakPolarHBondContact O-CB 3.24Å; S543-F546 PolarHBondContact O-N 3.44Å; P544-F546 PolarHBondContact O-N 2.81Å; F546-L549 PolarHBondContact O-N 3.27Å; F546-F550 WeakPolarHBondContact O-CB 3.13Å; F546-F550 PolarHBondContact O-N 3.28Å; F546-F620 HydrophobicContact CD1-CE2 4.25Å; F546-F620 AromaticContact CE1-CE2 3.84Å; F546-F620 HydrophobicContact CE1-CE2 3.84Å; F546-F620 HydrophobicContact CE1-CZ 4.03Å; F546-F620 HydrophobicContact CZ-CE2 4.5Å; F546-F620 HydrophobicContact CZ-CZ 4.25Å; F546-F624 AromaticContact CE1-CD2 3.77Å; F546-F624 HydrophobicContact CE1-CD2 3.77Å; F546-F624 AromaticContact CE1-CE2 3.7Å; F546-F624 HydrophobicContact CE1-CE2 3.7Å; F546-F624 HydrophobicContact CE1-CG 4.43Å; F546-F624 HydrophobicContact CE1-CZ 4.29Å; F546-F624 HydrophobicContact CZ-CD2 4.48Å; F546-F624 HydrophobicContact CZ-CE2 4.07Å; F546-F624 HydrophobicContact CZ-CZ 4.23Å; F546-F646 HydrophobicContact CE2-CE1 4.17Å; F546-F646 HydrophobicContact CE2-CZ 4.03Å; F546-F646 AromaticContact CZ-CE1 3.86Å; F546-F646 HydrophobicContact CZ-CE1 3.86Å; F546-F646 HydrophobicContact CZ-CZ 4.16Å; F546-L650 HydrophobicContact CE2-CD1 4.33Å; F546-L650 HydrophobicContact CZ-CD1 4.06Å; F546-F656 HydrophobicContact CD2-CE2 4.33Å; F546-F656 HydrophobicContact CD2-CZ 4.14Å; F546-F656 HydrophobicContact CE2-CE2 4.07Å; F546-F656 AromaticContact CE2-CZ 3.54Å; F546-F656 HydrophobicContact CE2-CZ 3.54Å; F546-F656 HydrophobicContact CZ-CZ 4.19Å |
| 547 | F | 84.1 | Confident | 79.4 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.2 | -54.4 | 174.2 | -179.1 | -96.5 | 0 | 0 | 0 | 111.7 | I498 M502 L537 L540 F542 S543 P544 L549 F550 W551 C628 | I498-F547 HydrophobicContact CG1-CE1 4.19Å; I498-F547 HydrophobicContact CG1-CZ 3.95Å; M502-F547 HydrophobicContact CE-CD1 4.34Å; M502-F547 HydrophobicContact CE-CE1 4.09Å; M502-F547 HydrophobicContact CG-CE1 4.36Å; M502-F547 HydrophobicContact SD-CE1 4.36Å; L537-F547 HydrophobicContact CD2-CD1 3.6Å; L537-F547 HydrophobicContact CD2-CE1 3.77Å; L537-F547 HydrophobicContact CD2-CG 4.05Å; L537-F547 HydrophobicContact CD2-CZ 4.35Å; L540-F547 HydrophobicContact CD1-CB 3.83Å; L540-F547 HydrophobicContact CD1-CD1 4.43Å; L540-F547 HydrophobicContact CD1-CD2 3.57Å; L540-F547 HydrophobicContact CD1-CE2 4.24Å; L540-F547 HydrophobicContact CD1-CG 3.69Å; L540-F547 HydrophobicContact CD2-CD2 4.31Å; F542-F547 HydrophobicContact CD2-CB 4.41Å; F542-F547 HydrophobicContact CE2-CB 3.64Å; F542-F547 HydrophobicContact CE2-CD2 4.07Å; F542-F547 HydrophobicContact CE2-CG 4.37Å; F542-F547 HydrophobicContact CZ-CB 4.45Å; F542-F547 HydrophobicContact CZ-CD2 4.05Å; S543-F547 PolarHBondContact O-N 3.28Å; S543-F547 VanDerWaalsContact O-N 3.17Å; P544-F547 WeakPolarHBondContact O-CB 3.22Å; P544-F547 PolarHBondContact O-N 2.9Å; F547-L549 VanDerWaalsContact C-N 3.31Å; F547-L549 PolarHBondContact O-N 3.39Å; F547-F550 PolarHBondContact O-N 3.35Å; F547-W551 AromaticContact CD2-NE1 3.99Å; F547-W551 AromaticContact CE1-CD1 3.69Å; F547-W551 AromaticContact CE1-NE1 3.98Å; F547-W551 AromaticContact CE2-CD1 3.69Å; F547-W551 AromaticContact CE2-NE1 3.29Å; F547-W551 VanDerWaalsContact CE2-NE1 3.29Å; F547-W551 AromaticContact CZ-CD1 3.5Å; F547-W551 AromaticContact CZ-NE1 3.29Å; F547-W551 VanDerWaalsContact CZ-NE1 3.29Å; F547-W551 VanDerWaalsContact O-CD1 3.29Å; F547-W551 PolarHBondContact O-N 3.2Å; F547-C628 WeakPolarHBondContact CD2-SG 3.46Å |
| 548 | V | 82.3 | Confident | 81 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.7 | -36.6 | -177.5 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | M502 Y520 I524 I527 P544 W551 T552 | M502-V548 HydrophobicContact CE-CB 4.21Å; M502-V548 HydrophobicContact CE-CG1 4.01Å; M502-V548 HydrophobicContact CE-CG2 4.2Å; Y520-V548 HydrophobicContact CE2-CG1 4.06Å; Y520-V548 VanDerWaalsContact OH-C 3.28Å; Y520-V548 PolarHBondContact OH-O 2.96Å; I524-V548 HydrophobicContact CD1-CB 3.92Å; I524-V548 HydrophobicContact CD1-CG1 3.9Å; I524-V548 HydrophobicContact CG1-CB 3.97Å; I524-V548 HydrophobicContact CG1-CG1 3.72Å; I524-V548 HydrophobicContact CG1-CG2 4.22Å; I524-V548 HydrophobicContact CG2-CG2 4.43Å; I527-V548 HydrophobicContact CD1-CG2 4.02Å; P544-V548 WeakPolarHBondContact O-CG2 3.46Å; P544-V548 PolarHBondContact O-N 2.57Å; V548-W551 PolarHBondContact O-N 2.8Å; V548-T552 WeakPolarHBondContact O-CB 3.12Å; V548-T552 PolarHBondContact O-N 3.02Å; V548-T552 PolarHBondContact O-OG1 3.08Å |
| 549 | L | 86.3 | Confident | 82.9 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.1 | -174.8 | 63.9 | 0 | 0 | 0 | 111.9 | W517 Y520 K545 F546 F547 W551 T552 L553 L609 | W517-L549 HydrophobicContact CH2-CD1 4.2Å; W517-L549 HydrophobicContact CZ3-CD1 4.09Å; Y520-L549 WeakPolarHBondContact OH-CA 3.43Å; Y520-L549 PolarHBondContact OH-N 2.62Å; Y520-L549 VanDerWaalsContact OH-N 3.15Å; K545-L549 WeakPolarHBondContact O-CB 3.22Å; K545-L549 PolarHBondContact O-N 3.23Å; F546-L549 PolarHBondContact O-N 3.27Å; F547-L549 VanDerWaalsContact C-N 3.31Å; F547-L549 PolarHBondContact O-N 3.39Å; L549-W551 VanDerWaalsContact C-N 3.34Å; L549-W551 PolarHBondContact O-N 3.43Å; L549-T552 PolarHBondContact O-N 3.25Å; L549-L553 HydrophobicContact CD1-CD1 3.86Å; L549-L553 HydrophobicContact CD1-CD2 4.2Å; L549-L553 HydrophobicContact CD1-CG 3.94Å; L549-L553 HydrophobicContact CG-CD1 3.83Å; L549-L553 HydrophobicContact CG-CG 4.32Å; L549-L553 VanDerWaalsContact O-CG 3.25Å; L549-L553 WeakPolarHBondContact O-CG 3.32Å; L549-L553 PolarHBondContact O-N 2.69Å; L549-L553 VanDerWaalsContact O-N 3.11Å; L549-L609 HydrophobicContact CD2-CD2 3.48Å; L549-L609 VanDerWaalsContact CD2-CD2 3.48Å; L549-L609 HydrophobicContact CD2-CG 4.37Å; L549-L609 HydrophobicContact CG-CD2 4.47Å |
| 550 | F | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -50.6 | -56.9 | 175.6 | 170.6 | -99 | 0 | 0 | 0 | 110.2 | F546 F547 T552 L553 F624 C628 R632 F642 F646 | F546-F550 WeakPolarHBondContact O-CB 3.13Å; F546-F550 PolarHBondContact O-N 3.28Å; F547-F550 PolarHBondContact O-N 3.35Å; F550-T552 PolarHBondContact O-N 2.83Å; F550-L553 PolarHBondContact O-N 3.42Å; F550-F624 AromaticContact CD2-CE2 3.88Å; F550-F624 HydrophobicContact CD2-CE2 3.88Å; F550-F624 HydrophobicContact CD2-CZ 4.17Å; F550-F624 HydrophobicContact CE2-CE2 4.04Å; F550-F624 HydrophobicContact CE2-CZ 4.13Å; F550-F624 HydrophobicContact CG-CE2 4.29Å; F550-C628 HydrophobicContact CD1-CB 3.65Å; F550-C628 HydrophobicContact CE1-CB 3.48Å; F550-C628 VanDerWaalsContact CE1-CB 3.48Å; F550-C628 HydrophobicContact CG-CB 4.28Å; F550-C628 HydrophobicContact CZ-CB 3.96Å; F550-R632 HydrophobicContact CE1-CB 3.89Å; F550-R632 VanDerWaalsContact CE1-CD 3.47Å; F550-R632 HydrophobicContact CE1-CG 4.29Å; F550-R632 HydrophobicContact CZ-CB 4.04Å; F550-R632 HydrophobicContact CZ-CG 4.37Å; F550-R632 PolarHBondContact O-NH1 3.44Å; F550-F642 AromaticContact CD2-CE1 3.89Å; F550-F642 HydrophobicContact CD2-CE1 3.89Å; F550-F642 HydrophobicContact CD2-CZ 4.45Å; F550-F642 HydrophobicContact CE2-CD1 4.4Å; F550-F642 AromaticContact CE2-CE1 3.64Å; F550-F642 HydrophobicContact CE2-CE1 3.64Å; F550-F642 HydrophobicContact CZ-CE1 4.08Å; F550-F642 WeakPolarHBondContact O-CZ 3.37Å; F550-F646 HydrophobicContact CB-CZ 4.39Å; F550-F646 AromaticContact CD2-CD1 3.65Å; F550-F646 HydrophobicContact CD2-CD1 3.65Å; F550-F646 HydrophobicContact CD2-CD2 4.43Å; F550-F646 AromaticContact CD2-CE1 3.6Å; F550-F646 HydrophobicContact CD2-CE1 3.6Å; F550-F646 HydrophobicContact CD2-CE2 4.43Å; F550-F646 HydrophobicContact CD2-CG 4.06Å; F550-F646 HydrophobicContact CD2-CZ 4.02Å; F550-F646 AromaticContact CE2-CD1 3.94Å; F550-F646 HydrophobicContact CE2-CD1 3.94Å; F550-F646 HydrophobicContact CE2-CE1 4.32Å; F550-F646 HydrophobicContact CE2-CG 4.28Å |
| 551 | W | 91.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.6 | -29.1 | -176.5 | -79.8 | 108.9 | 0 | 0 | 0 | 115.2 | D499 M502 R506 F547 V548 L549 Q631 R632 | D499-W551 HydrophobicContact CB-CH2 3.73Å; D499-W551 HydrophobicContact CB-CZ2 4.33Å; D499-W551 HydrophobicContact CB-CZ3 4.39Å; M502-W551 HydrophobicContact CB-CB 3.94Å; M502-W551 HydrophobicContact CB-CD2 3.83Å; M502-W551 HydrophobicContact CB-CE3 3.81Å; M502-W551 HydrophobicContact CB-CG 3.9Å; M502-W551 HydrophobicContact CE-CB 3.23Å; M502-W551 HydrophobicContact CE-CG 3.79Å; M502-W551 HydrophobicContact CG-CB 4.14Å; M502-W551 HydrophobicContact CG-CD2 4.18Å; M502-W551 HydrophobicContact CG-CG 3.94Å; M502-W551 HydrophobicContact SD-CB 4.47Å; R506-W551 PolarHBondContact NE-O 2.93Å; R506-W551 VanDerWaalsContact NE-O 3.15Å; F547-W551 AromaticContact CD2-NE1 3.99Å; F547-W551 AromaticContact CE1-CD1 3.69Å; F547-W551 AromaticContact CE1-NE1 3.98Å; F547-W551 AromaticContact CE2-CD1 3.69Å; F547-W551 AromaticContact CE2-NE1 3.29Å; F547-W551 VanDerWaalsContact CE2-NE1 3.29Å; F547-W551 AromaticContact CZ-CD1 3.5Å; F547-W551 AromaticContact CZ-NE1 3.29Å; F547-W551 VanDerWaalsContact CZ-NE1 3.29Å; F547-W551 VanDerWaalsContact O-CD1 3.29Å; F547-W551 PolarHBondContact O-N 3.2Å; V548-W551 PolarHBondContact O-N 2.8Å; L549-W551 VanDerWaalsContact C-N 3.34Å; L549-W551 PolarHBondContact O-N 3.43Å; W551-Q631 HydrophobicContact CH2-CB 3.97Å; W551-Q631 HydrophobicContact CZ2-CB 3.87Å; W551-R632 HydrophobicContact CE3-CG 4.36Å; W551-R632 HydrophobicContact CH2-CB 3.59Å; W551-R632 HydrophobicContact CH2-CG 4.19Å; W551-R632 HydrophobicContact CZ2-CB 4.16Å; W551-R632 HydrophobicContact CZ3-CB 3.79Å; W551-R632 HydrophobicContact CZ3-CG 3.85Å |
| 552 | T | 90.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -73.2 | -37.6 | 179.2 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | R506 Y509 I513 Y520 V548 L549 F550 | R506-T552 VanDerWaalsContact CG-O 3.23Å; R506-T552 WeakPolarHBondContact CG-O 3.39Å; Y509-T552 VanDerWaalsContact CB-CG2 3.42Å; I513-T552 HydrophobicContact CD1-CG2 3.47Å; I513-T552 VanDerWaalsContact CD1-CG2 3.47Å; Y520-T552 HydrophobicContact CE2-CG2 4Å; Y520-T552 PolarHBondContact OH-OG1 3.24Å; V548-T552 WeakPolarHBondContact O-CB 3.12Å; V548-T552 PolarHBondContact O-N 3.02Å; V548-T552 PolarHBondContact O-OG1 3.08Å; L549-T552 PolarHBondContact O-N 3.25Å; F550-T552 PolarHBondContact O-N 2.83Å |
| 553 | L | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -71.9 | 140.2 | -176 | -65.4 | 171.7 | 0 | 0 | 0 | 111.1 | L549 F550 D557 I558 V605 R632 F642 F646 | L549-L553 HydrophobicContact CD1-CD1 3.86Å; L549-L553 HydrophobicContact CD1-CD2 4.2Å; L549-L553 HydrophobicContact CD1-CG 3.94Å; L549-L553 HydrophobicContact CG-CD1 3.83Å; L549-L553 HydrophobicContact CG-CG 4.32Å; L549-L553 VanDerWaalsContact O-CG 3.25Å; L549-L553 WeakPolarHBondContact O-CG 3.32Å; L549-L553 PolarHBondContact O-N 2.69Å; L549-L553 VanDerWaalsContact O-N 3.11Å; F550-L553 PolarHBondContact O-N 3.42Å; L553-D557 HydrophobicContact CB-CB 4.35Å; L553-D557 HydrophobicContact CD2-CB 3.71Å; L553-I558 HydrophobicContact CD1-CG2 4.21Å; L553-V605 HydrophobicContact CD1-CG1 3.9Å; L553-V605 HydrophobicContact CD2-CG1 3.84Å; L553-V605 HydrophobicContact CD2-CG2 4.22Å; L553-R632 PolarHBondContact O-NH1 3.34Å; L553-R632 PolarHBondContact O-NH2 3Å; L553-F642 HydrophobicContact CB-CE2 3.86Å; L553-F642 HydrophobicContact CB-CZ 4Å; L553-F642 WeakPolarHBondContact O-CE2 3.24Å; L553-F642 WeakPolarHBondContact O-CZ 3.41Å; L553-F646 HydrophobicContact CD1-CE2 4Å | ||
| 554 | S | 92.3 | Very high | 89.3 | Confident | 45 Ų | 45 | 24.8 Ų | 24.8 | 32% | 0.315 | 13% | 0.133 | S | C | . | . | trans | -102.2 | 168.5 | 170.8 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | G556 D557 | S554-G556 PolarHBondContact O-N 3.03Å; S554-D557 WeakPolarHBondContact CB-OD2 3.33Å; S554-D557 PolarHBondContact N-OD2 3.35Å; S554-D557 WeakPolarHBondContact O-CB 3.48Å; S554-D557 PolarHBondContact O-N 3.47Å; S554-D557 PolarHBondContact OG-OD2 3.17Å | ||
| 555 | T | 92.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.6 | -36.1 | 179.7 | -42.8 | 0 | 0 | 0 | 0 | 112 | S397 D557 I558 S559 I641 F642 K645 | S397-T555 WeakPolarHBondContact OG-CG2 3.44Å; T555-D557 VanDerWaalsContact C-N 3.29Å; T555-D557 PolarHBondContact O-N 3.07Å; T555-I558 VanDerWaalsContact O-CG1 3.31Å; T555-I558 WeakPolarHBondContact O-CG1 3.47Å; T555-I558 PolarHBondContact O-N 2.84Å; T555-S559 PolarHBondContact O-N 3.42Å; T555-I641 HydrophobicContact CG2-CG2 4.27Å; T555-F642 WeakPolarHBondContact OG1-CB 3.4Å; T555-K645 HydrophobicContact CG2-CG 4.41Å |
| 556 | G | 91.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.8 | -20.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | S397 S554 I558 Q598 V602 | S397-G556 WeakPolarHBondContact O-CA 3.35Å; S554-G556 PolarHBondContact O-N 3.03Å; G556-I558 VanDerWaalsContact C-N 3.27Å; G556-I558 PolarHBondContact O-N 2.69Å; G556-Q598 PolarHBondContact O-NE2 3.5Å; G556-V602 VanDerWaalsContact O-CG2 3.24Å; G556-V602 WeakPolarHBondContact O-CG2 3.48Å |
| 557 | D | 92 | Very high | 91.6 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.1 | -16.4 | 174.9 | -65.2 | -71.1 | 0 | 0 | 0 | 112.7 | L553 S554 T555 R601 V605 | L553-D557 HydrophobicContact CB-CB 4.35Å; L553-D557 HydrophobicContact CD2-CB 3.71Å; S554-D557 WeakPolarHBondContact CB-OD2 3.33Å; S554-D557 PolarHBondContact N-OD2 3.35Å; S554-D557 WeakPolarHBondContact O-CB 3.48Å; S554-D557 PolarHBondContact O-N 3.47Å; S554-D557 PolarHBondContact OG-OD2 3.17Å; T555-D557 VanDerWaalsContact C-N 3.29Å; T555-D557 PolarHBondContact O-N 3.07Å; D557-R601 IonicContact OD1-CZ 3.73Å; D557-R601 VanDerWaalsContact OD1-CZ 3.25Å; D557-R601 IonicContact OD1-NE 2.61Å; D557-R601 PolarHBondContact OD1-NE 3.49Å; D557-R601 IonicContact OD1-NH2 3.83Å; D557-R601 PolarHBondContact OD1-NH2 3.04Å; D557-V605 HydrophobicContact CB-CG2 4.42Å; D557-V605 WeakPolarHBondContact O-CB 3.24Å |
| 558 | I | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -121.1 | -19.1 | -174.3 | 60.1 | 168.6 | 0 | 0 | 0 | 114.2 | L553 T555 G556 V602 V605 K606 F642 K645 F646 V649 | L553-I558 HydrophobicContact CD1-CG2 4.21Å; T555-I558 VanDerWaalsContact O-CG1 3.31Å; T555-I558 WeakPolarHBondContact O-CG1 3.47Å; T555-I558 PolarHBondContact O-N 2.84Å; G556-I558 VanDerWaalsContact C-N 3.27Å; G556-I558 PolarHBondContact O-N 2.69Å; I558-V602 WeakPolarHBondContact O-CG1 3.41Å; I558-V605 HydrophobicContact CG2-CG1 4.2Å; I558-K606 VanDerWaalsContact O-CE 3.26Å; I558-K606 WeakPolarHBondContact O-CE 3.39Å; I558-F642 HydrophobicContact CD1-CD2 3.68Å; I558-F642 HydrophobicContact CD1-CE2 3.61Å; I558-F642 HydrophobicContact CD1-CZ 4.43Å; I558-F642 HydrophobicContact CG1-CD2 4.34Å; I558-F642 HydrophobicContact CG1-CE2 4.24Å; I558-K645 HydrophobicContact CD1-CB 3.77Å; I558-F646 HydrophobicContact CD1-CB 3.94Å; I558-F646 HydrophobicContact CD1-CD2 4.34Å; I558-F646 HydrophobicContact CG2-CD2 4.47Å; I558-V649 HydrophobicContact CB-CG2 4.21Å |
| 559 | S | 93.6 | Very high | 92.6 | Very high | 28 Ų | 28 | 29.9 Ų | 29.9 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | trans | -138.7 | 140.3 | -177.1 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | T555 | T555-S559 PolarHBondContact O-N 3.42Š| ||
| 560 | V | 94.9 | Very high | 93 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | trans | -110.1 | 121.5 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 109 | N562 Y565 Q598 V602 | V560-N562 WeakPolarHBondContact CG1-OD1 3.31Å; V560-N562 PolarHBondContact O-N 3.24Å; V560-N562 PolarHBondContact O-ND2 3.05Å; V560-Y565 HydrophobicContact CG1-CD2 4.25Å; V560-Y565 HydrophobicContact CG1-CE2 4.33Å; V560-Q598 HydrophobicContact CG1-CG 4.48Å; V560-Q598 HydrophobicContact CG2-CG 4.25Å; V560-V602 HydrophobicContact CG2-CB 4.01Å; V560-V602 HydrophobicContact CG2-CG1 4.41Å; V560-V602 HydrophobicContact CG2-CG2 3.64Å | ||
| 561 | P | 94.2 | Very high | 93.1 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | trans | -78.6 | 72.2 | 177.2 | 33.8 | -36.9 | 0 | 0 | 0 | 110.9 | D394 S397 L402 E563 M564 Y565 | D394-P561 WeakPolarHBondContact O-CB 3.41Å; S397-P561 WeakPolarHBondContact O-CD 3.05Å; L402-P561 HydrophobicContact CD2-CG 3.77Å; P561-E563 VanDerWaalsContact C-N 3.29Å; P561-E563 PolarHBondContact O-N 2.89Å; P561-M564 HydrophobicContact CB-CB 4.19Å; P561-M564 HydrophobicContact CB-CG 4.36Å; P561-M564 PolarHBondContact O-N 2.96Å; P561-Y565 HydrophobicContact CG-CD2 4.12Å; P561-Y565 HydrophobicContact CG-CE2 3.97Å; P561-Y565 WeakPolarHBondContact O-CD2 3.49Å; P561-Y565 PolarHBondContact O-N 3.31Å; P561-Y565 VanDerWaalsContact O-N 3.09Å | ||
| 562 | N | 94.6 | Very high | 93.2 | Very high | 88 Ų | 88 | 41 Ų | 41 | 47% | 0.471 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.1 | -37.8 | -174 | -71.4 | -55.1 | 0 | 0 | 0 | 113.4 | V560 K566 H595 | V560-N562 WeakPolarHBondContact CG1-OD1 3.31Å; V560-N562 PolarHBondContact O-N 3.24Å; V560-N562 PolarHBondContact O-ND2 3.05Å; N562-K566 VanDerWaalsContact O-CB 3.31Å; N562-K566 WeakPolarHBondContact O-CB 3.46Å; N562-K566 PolarHBondContact O-N 3.19Å; N562-H595 PolarHBondContact OD1-NE2 3.16Å |
| 563 | E | 92.5 | Very high | 93.4 | Very high | 168 Ų | 168 | 45.7 Ų | 45.7 | 79% | 0.785 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67.3 | -39.2 | -179.6 | -61.9 | -171.3 | 168.5 | 0 | 0 | 112.1 | P561 K566 S567 | P561-E563 VanDerWaalsContact C-N 3.29Å; P561-E563 PolarHBondContact O-N 2.89Å; E563-K566 PolarHBondContact O-N 3.35Å; E563-S567 WeakPolarHBondContact O-CB 3.19Å; E563-S567 PolarHBondContact O-N 2.93Å |
| 564 | M | 92.3 | Very high | 93.4 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 17% | 0.172 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -47.6 | 176.2 | -68.3 | -61.6 | -71.6 | 0 | 0 | 111.1 | D394 A395 L402 V406 P561 K566 S567 S568 | D394-M564 HydrophobicContact CB-CG 4.02Å; A395-M564 HydrophobicContact CB-CE 4.25Å; L402-M564 HydrophobicContact CD1-CB 4.31Å; L402-M564 HydrophobicContact CD2-CB 3.88Å; V406-M564 HydrophobicContact CG2-CE 4.39Å; P561-M564 HydrophobicContact CB-CB 4.19Å; P561-M564 HydrophobicContact CB-CG 4.36Å; P561-M564 PolarHBondContact O-N 2.96Å; M564-K566 VanDerWaalsContact C-N 3.3Å; M564-K566 PolarHBondContact O-N 3.07Å; M564-S567 PolarHBondContact O-N 3.46Å; M564-S568 WeakPolarHBondContact O-CB 3.16Å; M564-S568 PolarHBondContact O-N 3.01Å; M564-S568 PolarHBondContact O-OG 3.4Å |
| 565 | Y | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 174 | -83.8 | -63.3 | 0 | 0 | 0 | 111.9 | G399 L402 V560 P561 S568 T569 M591 E594 H595 | G399-Y565 PolarHBondContact N-OH 3.41Å; L402-Y565 HydrophobicContact CB-CE1 4.04Å; L402-Y565 HydrophobicContact CD2-CD1 4.27Å; L402-Y565 HydrophobicContact CD2-CD2 4.12Å; L402-Y565 HydrophobicContact CD2-CE1 4.1Å; L402-Y565 HydrophobicContact CD2-CE2 3.94Å; L402-Y565 HydrophobicContact CD2-CG 4.28Å; V560-Y565 HydrophobicContact CG1-CD2 4.25Å; V560-Y565 HydrophobicContact CG1-CE2 4.33Å; P561-Y565 HydrophobicContact CG-CD2 4.12Å; P561-Y565 HydrophobicContact CG-CE2 3.97Å; P561-Y565 WeakPolarHBondContact O-CD2 3.49Å; P561-Y565 PolarHBondContact O-N 3.31Å; P561-Y565 VanDerWaalsContact O-N 3.09Å; Y565-S568 PolarHBondContact O-N 3.46Å; Y565-T569 WeakPolarHBondContact O-CB 3.47Å; Y565-T569 VanDerWaalsContact O-CG2 3.24Å; Y565-T569 WeakPolarHBondContact O-CG2 3.43Å; Y565-T569 PolarHBondContact O-N 3.49Å; Y565-T569 PolarHBondContact O-OG1 3.29Å; Y565-T569 VanDerWaalsContact O-OG1 3.08Å; Y565-M591 HydrophobicContact CD1-CG 4.17Å; Y565-M591 HydrophobicContact CD1-SD 4.03Å; Y565-M591 HydrophobicContact CE1-CG 4.43Å; Y565-M591 HydrophobicContact CE1-SD 3.84Å; Y565-E594 WeakPolarHBondContact CE1-OE1 3.32Å; Y565-E594 PolarHBondContact OH-OE1 3.43Å; Y565-H595 HydrophobicContact CD1-CB 3.74Å; Y565-H595 HydrophobicContact CD2-CB 4.19Å; Y565-H595 AromaticContact CD2-CD2 3.55Å; Y565-H595 AromaticContact CD2-CG 3.86Å; Y565-H595 HydrophobicContact CE1-CB 3.99Å; Y565-H595 HydrophobicContact CE2-CB 4.4Å; Y565-H595 HydrophobicContact CG-CB 3.85Å; Y565-H595 AromaticContact CG-CD2 3.84Å; Y565-H595 AromaticContact CG-CG 3.67Å |
| 566 | K | 94.6 | Very high | 93.4 | Very high | 137 Ų | 137 | 52 Ų | 52 | 60% | 0.596 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.8 | -52.5 | 176.3 | -174.4 | 179.6 | 177.6 | -176.1 | 0 | 111.3 | N562 E563 M564 S568 T569 D570 | N562-K566 VanDerWaalsContact O-CB 3.31Å; N562-K566 WeakPolarHBondContact O-CB 3.46Å; N562-K566 PolarHBondContact O-N 3.19Å; E563-K566 PolarHBondContact O-N 3.35Å; M564-K566 VanDerWaalsContact C-N 3.3Å; M564-K566 PolarHBondContact O-N 3.07Å; K566-S568 VanDerWaalsContact C-N 3.33Å; K566-S568 PolarHBondContact O-N 3.48Å; K566-T569 WeakPolarHBondContact CA-OG1 3.34Å; K566-T569 PolarHBondContact O-N 3.26Å; K566-T569 VanDerWaalsContact O-N 3.17Å; K566-T569 PolarHBondContact O-OG1 3.41Å; K566-D570 PolarHBondContact O-N 3.03Å |
| 567 | S | 93.5 | Very high | 93.3 | Very high | 46 Ų | 46 | 57.2 Ų | 57.2 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 179.1 | -165.6 | 0 | 0 | 0 | 0 | 112.3 | E563 M564 D570 R571 | E563-S567 WeakPolarHBondContact O-CB 3.19Å; E563-S567 PolarHBondContact O-N 2.93Å; M564-S567 PolarHBondContact O-N 3.46Å; S567-D570 PolarHBondContact O-N 3.47Å; S567-R571 VanDerWaalsContact O-CG 3.29Å; S567-R571 WeakPolarHBondContact O-CG 3.47Å; S567-R571 PolarHBondContact O-N 2.94Å |
| 568 | S | 91.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 176.6 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | L402 E405 M564 Y565 K566 D570 R571 L572 | L402-S568 WeakPolarHBondContact CD1-OG 3.35Å; E405-S568 VanDerWaalsContact CD-OG 3.27Å; E405-S568 PolarHBondContact OE1-OG 3.47Å; E405-S568 WeakPolarHBondContact OE2-CB 3.47Å; E405-S568 PolarHBondContact OE2-OG 3.19Å; M564-S568 WeakPolarHBondContact O-CB 3.16Å; M564-S568 PolarHBondContact O-N 3.01Å; M564-S568 PolarHBondContact O-OG 3.4Å; Y565-S568 PolarHBondContact O-N 3.46Å; K566-S568 VanDerWaalsContact C-N 3.33Å; K566-S568 PolarHBondContact O-N 3.48Å; S568-D570 VanDerWaalsContact C-N 3.35Å; S568-D570 PolarHBondContact O-N 3.15Å; S568-R571 PolarHBondContact O-N 3.11Å; S568-L572 WeakPolarHBondContact O-CG 3.06Å; S568-L572 PolarHBondContact O-N 3.39Å |
| 569 | T | 94.6 | Very high | 92.7 | Very high | 20 Ų | 20 | 71.3 Ų | 71.3 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 177.8 | 58 | 0 | 0 | 0 | 0 | 112.5 | Y565 K566 L572 Q573 L588 M591 K592 | Y565-T569 WeakPolarHBondContact O-CB 3.47Å; Y565-T569 VanDerWaalsContact O-CG2 3.24Å; Y565-T569 WeakPolarHBondContact O-CG2 3.43Å; Y565-T569 PolarHBondContact O-N 3.49Å; Y565-T569 PolarHBondContact O-OG1 3.29Å; Y565-T569 VanDerWaalsContact O-OG1 3.08Å; K566-T569 WeakPolarHBondContact CA-OG1 3.34Å; K566-T569 PolarHBondContact O-N 3.26Å; K566-T569 VanDerWaalsContact O-N 3.17Å; K566-T569 PolarHBondContact O-OG1 3.41Å; T569-L572 PolarHBondContact O-N 3.28Å; T569-Q573 WeakPolarHBondContact O-CB 3.38Å; T569-Q573 PolarHBondContact O-N 3.4Å; T569-L588 HydrophobicContact CG2-CD1 4.02Å; T569-M591 HydrophobicContact CG2-CG 4.25Å; T569-K592 HydrophobicContact CG2-CG 4.19Å |
| 570 | D | 95.1 | Very high | 92.5 | Very high | 82 Ų | 82 | 74.5 Ų | 74.5 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 176.5 | -71.1 | -21.2 | 0 | 0 | 0 | 111.3 | K566 S567 S568 L572 Q573 N574 | K566-D570 PolarHBondContact O-N 3.03Å; S567-D570 PolarHBondContact O-N 3.47Å; S568-D570 VanDerWaalsContact C-N 3.35Å; S568-D570 PolarHBondContact O-N 3.15Å; D570-L572 PolarHBondContact O-N 2.86Å; D570-Q573 PolarHBondContact O-N 2.88Å; D570-N574 VanDerWaalsContact O-CG 3.27Å; D570-N574 PolarHBondContact O-N 2.92Å; D570-N574 PolarHBondContact O-ND2 3.26Å |
| 571 | R | 92.1 | Very high | 92.3 | Very high | 142 Ų | 142 | 79.6 Ų | 79.6 | 54% | 0.536 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60 | -46 | 174.3 | -72.9 | 171.5 | -174 | 172.7 | 3.1 | 111.9 | E405 S567 S568 Q573 N574 A575 | E405-R571 IonicContact OE1-NH1 2.8Å; E405-R571 PolarHBondContact OE1-NH1 3.16Å; S567-R571 VanDerWaalsContact O-CG 3.29Å; S567-R571 WeakPolarHBondContact O-CG 3.47Å; S567-R571 PolarHBondContact O-N 2.94Å; S568-R571 PolarHBondContact O-N 3.11Å; R571-Q573 VanDerWaalsContact C-N 3.34Å; R571-N574 PolarHBondContact O-N 3.29Å; R571-A575 PolarHBondContact O-N 2.88Å |
| 572 | L | 93.2 | Very high | 92.2 | Very high | 15 Ų | 15 | 82.8 Ų | 82.8 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 178.7 | -68.8 | 173.2 | 0 | 0 | 0 | 112.1 | S568 T569 D570 N574 A575 L576 Y584 H587 L588 M591 | S568-L572 WeakPolarHBondContact O-CG 3.06Å; S568-L572 PolarHBondContact O-N 3.39Å; T569-L572 PolarHBondContact O-N 3.28Å; D570-L572 PolarHBondContact O-N 2.86Å; L572-N574 VanDerWaalsContact C-N 3.35Å; L572-A575 PolarHBondContact O-N 3.48Å; L572-L576 PolarHBondContact O-N 3.37Å; L572-Y584 HydrophobicContact CD2-CD1 3.9Å; L572-H587 VanDerWaalsContact CD1-CD2 3.48Å; L572-H587 WeakPolarHBondContact CD1-CD2 3.36Å; L572-L588 HydrophobicContact CB-CB 4.18Å; L572-L588 HydrophobicContact CB-CD1 3.99Å; L572-L588 HydrophobicContact CD1-CB 4.4Å; L572-L588 HydrophobicContact CD1-CD1 4.44Å; L572-M591 HydrophobicContact CD1-CB 4.38Å |
| 573 | Q | 94.5 | Very high | 92.1 | Very high | 101 Ų | 101 | 84.6 Ų | 84.6 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 174 | -170.5 | 68.2 | 28.4 | 0 | 0 | 111.2 | T569 D570 R571 A575 L576 | T569-Q573 WeakPolarHBondContact O-CB 3.38Å; T569-Q573 PolarHBondContact O-N 3.4Å; D570-Q573 PolarHBondContact O-N 2.88Å; R571-Q573 VanDerWaalsContact C-N 3.34Å; Q573-A575 VanDerWaalsContact C-N 3.33Å; Q573-A575 PolarHBondContact O-N 2.9Å; Q573-L576 VanDerWaalsContact O-CB 3.31Å; Q573-L576 WeakPolarHBondContact O-CB 3.42Å; Q573-L576 PolarHBondContact O-N 3.45Å |
| 574 | N | 93.5 | Very high | 92.1 | Very high | 122 Ų | 122 | 79.8 Ų | 79.8 | 65% | 0.652 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.9 | -36.8 | 175.8 | -69.9 | -24.3 | 0 | 0 | 0 | 112.2 | D570 R571 L572 L576 S577 | D570-N574 VanDerWaalsContact O-CG 3.27Å; D570-N574 PolarHBondContact O-N 2.92Å; D570-N574 PolarHBondContact O-ND2 3.26Å; R571-N574 PolarHBondContact O-N 3.29Å; L572-N574 VanDerWaalsContact C-N 3.35Å; N574-L576 PolarHBondContact O-N 3.41Å; N574-S577 PolarHBondContact O-N 2.83Å; N574-S577 PolarHBondContact O-OG 2.92Å |
| 575 | A | 92.2 | Very high | 92.2 | Very high | 26 Ų | 26 | 80.1 Ų | 80.1 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70 | -12 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R571 L572 Q573 S577 S578 Y584 | R571-A575 PolarHBondContact O-N 2.88Å; L572-A575 PolarHBondContact O-N 3.48Å; Q573-A575 VanDerWaalsContact C-N 3.33Å; Q573-A575 PolarHBondContact O-N 2.9Å; A575-S577 PolarHBondContact O-N 2.98Å; A575-S577 VanDerWaalsContact O-N 3.15Å; A575-S578 VanDerWaalsContact O-CB 3.3Å; A575-S578 WeakPolarHBondContact O-CB 3.49Å; A575-S578 PolarHBondContact O-N 3.37Å; A575-S578 PolarHBondContact O-OG 3Å; A575-Y584 HydrophobicContact CB-CD1 3.73Å; A575-Y584 HydrophobicContact CB-CD2 4.04Å; A575-Y584 HydrophobicContact CB-CE1 3.9Å; A575-Y584 HydrophobicContact CB-CE2 4.19Å; A575-Y584 HydrophobicContact CB-CG 3.82Å; A575-Y584 WeakPolarHBondContact O-CD2 3.3Å |
| 576 | L | 91.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 84.4 Ų | 84.4 | 17% | 0.173 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.1 | 175.4 | -69.4 | 172.1 | 0 | 0 | 0 | 113.9 | L572 Q573 N574 S578 K581 A585 L588 | L572-L576 PolarHBondContact O-N 3.37Å; Q573-L576 VanDerWaalsContact O-CB 3.31Å; Q573-L576 WeakPolarHBondContact O-CB 3.42Å; Q573-L576 PolarHBondContact O-N 3.45Å; N574-L576 PolarHBondContact O-N 3.41Å; L576-S578 VanDerWaalsContact C-N 3.26Å; L576-K581 HydrophobicContact CD2-CG 4.14Å; L576-K581 WeakPolarHBondContact O-CD 3.41Å; L576-K581 VanDerWaalsContact O-CG 3.32Å; L576-K581 WeakPolarHBondContact O-CG 3.45Å; L576-A585 HydrophobicContact CD2-CB 3.75Å; L576-L588 HydrophobicContact CD1-CD2 4.21Å |
| 577 | S | 89.2 | Confident | 92.1 | Very high | 112 Ų | 112 | 80.9 Ų | 80.9 | 78% | 0.783 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.2 | 173.4 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | N574 A575 | N574-S577 PolarHBondContact O-N 2.83Å; N574-S577 PolarHBondContact O-OG 2.92Å; A575-S577 PolarHBondContact O-N 2.98Å; A575-S577 VanDerWaalsContact O-N 3.15Å |
| 578 | S | 88.6 | Confident | 92.2 | Very high | 45 Ų | 45 | 79.3 Ų | 79.3 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -82.9 | 166.5 | -175.8 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | A575 L576 E580 K581 Y584 | A575-S578 VanDerWaalsContact O-CB 3.3Å; A575-S578 WeakPolarHBondContact O-CB 3.49Å; A575-S578 PolarHBondContact O-N 3.37Å; A575-S578 PolarHBondContact O-OG 3Å; L576-S578 VanDerWaalsContact C-N 3.26Å; S578-E580 PolarHBondContact O-N 3.38Å; S578-E580 VanDerWaalsContact O-N 3.14Å; S578-K581 PolarHBondContact O-N 3.38Å; S578-Y584 VanDerWaalsContact OG-CD2 3.3Å; S578-Y584 WeakPolarHBondContact OG-CD2 3.36Å; S578-Y584 WeakPolarHBondContact OG-CE2 3.26Å |
| 579 | R | 86.1 | Confident | 92.4 | Very high | 257 Ų | 257 | 81.9 Ų | 81.9 | 97% | 0.97 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.9 | 176.7 | -169.5 | 177.2 | 178.2 | -178.9 | -0.2 | 113.3 | K581 | R579-K581 PolarHBondContact O-N 2.93Š|
| 580 | E | 88.9 | Confident | 92.5 | Very high | 95 Ų | 95 | 85.6 Ų | 85.6 | 44% | 0.444 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 28.5 | 179.1 | -53.4 | -170.1 | 153.5 | 0 | 0 | 113.3 | S578 A582 K583 Y584 | S578-E580 PolarHBondContact O-N 3.38Å; S578-E580 VanDerWaalsContact O-N 3.14Å; E580-A582 VanDerWaalsContact C-N 3.28Å; E580-A582 PolarHBondContact O-N 3.25Å; E580-A582 VanDerWaalsContact O-N 3.08Å; E580-K583 HydrophobicContact CB-CB 4.4Å; E580-K583 WeakPolarHBondContact O-CB 3.31Å; E580-K583 PolarHBondContact O-N 3.49Å; E580-K583 WeakPolarHBondContact OE2-CD 3.44Å; E580-K583 IonicContact OE2-NZ 3.36Å; E580-K583 PolarHBondContact OE2-NZ 2.98Å; E580-Y584 HydrophobicContact CB-CD2 4.09Å; E580-Y584 HydrophobicContact CB-CE2 3.77Å; E580-Y584 WeakPolarHBondContact O-CD2 3.31Å; E580-Y584 PolarHBondContact O-N 3.41Å |
| 581 | K | 90.2 | Very high | 92.5 | Very high | 130 Ų | 130 | 81.7 Ų | 81.7 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -44.6 | -44.7 | -175.8 | -179.1 | 176.8 | -179.6 | -179.8 | 0 | 115 | L576 S578 R579 K583 Y584 A585 | L576-K581 HydrophobicContact CD2-CG 4.14Å; L576-K581 WeakPolarHBondContact O-CD 3.41Å; L576-K581 VanDerWaalsContact O-CG 3.32Å; L576-K581 WeakPolarHBondContact O-CG 3.45Å; S578-K581 PolarHBondContact O-N 3.38Å; R579-K581 PolarHBondContact O-N 2.93Å; K581-K583 VanDerWaalsContact C-N 3.33Å; K581-K583 PolarHBondContact O-N 3.25Å; K581-Y584 PolarHBondContact O-N 3.17Å; K581-A585 WeakPolarHBondContact O-CB 3.38Å; K581-A585 PolarHBondContact O-N 3.31Å |
| 582 | A | 92.2 | Very high | 92.7 | Very high | 81 Ų | 81 | 80.4 Ų | 80.4 | 67% | 0.669 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.8 | -37.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E580 N586 | E580-A582 VanDerWaalsContact C-N 3.28Å; E580-A582 PolarHBondContact O-N 3.25Å; E580-A582 VanDerWaalsContact O-N 3.08Å; A582-N586 WeakPolarHBondContact O-CB 3.45Å; A582-N586 PolarHBondContact O-N 3.33Å |
| 583 | K | 92 | Very high | 92.8 | Very high | 127 Ų | 127 | 85 Ų | 85 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.8 | -46.4 | 177.1 | 177 | -177 | 163.5 | -162.1 | 0 | 110.9 | E580 K581 N586 H587 | E580-K583 HydrophobicContact CB-CB 4.4Å; E580-K583 WeakPolarHBondContact O-CB 3.31Å; E580-K583 PolarHBondContact O-N 3.49Å; E580-K583 WeakPolarHBondContact OE2-CD 3.44Å; E580-K583 IonicContact OE2-NZ 3.36Å; E580-K583 PolarHBondContact OE2-NZ 2.98Å; K581-K583 VanDerWaalsContact C-N 3.33Å; K581-K583 PolarHBondContact O-N 3.25Å; K583-N586 PolarHBondContact O-N 3.06Å; K583-H587 WeakPolarHBondContact O-CB 3.45Å; K583-H587 PolarHBondContact O-N 3.09Å |
| 584 | Y | 93.2 | Very high | 92.9 | Very high | 66 Ų | 66 | 81 Ų | 81 | 26% | 0.259 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 176.9 | -67 | -65.9 | 0 | 0 | 0 | 112.5 | L572 A575 S578 E580 K581 H587 L588 | L572-Y584 HydrophobicContact CD2-CD1 3.9Å; A575-Y584 HydrophobicContact CB-CD1 3.73Å; A575-Y584 HydrophobicContact CB-CD2 4.04Å; A575-Y584 HydrophobicContact CB-CE1 3.9Å; A575-Y584 HydrophobicContact CB-CE2 4.19Å; A575-Y584 HydrophobicContact CB-CG 3.82Å; A575-Y584 WeakPolarHBondContact O-CD2 3.3Å; S578-Y584 VanDerWaalsContact OG-CD2 3.3Å; S578-Y584 WeakPolarHBondContact OG-CD2 3.36Å; S578-Y584 WeakPolarHBondContact OG-CE2 3.26Å; E580-Y584 HydrophobicContact CB-CD2 4.09Å; E580-Y584 HydrophobicContact CB-CE2 3.77Å; E580-Y584 WeakPolarHBondContact O-CD2 3.31Å; E580-Y584 PolarHBondContact O-N 3.41Å; K581-Y584 PolarHBondContact O-N 3.17Å; Y584-H587 PolarHBondContact O-N 2.75Å; Y584-L588 VanDerWaalsContact O-CB 3.27Å; Y584-L588 WeakPolarHBondContact O-CB 3.32Å; Y584-L588 PolarHBondContact O-N 3.48Å |
| 585 | A | 94.7 | Very high | 93.1 | Very high | 42 Ų | 42 | 77.4 Ų | 77.4 | 35% | 0.347 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L576 K581 L588 A589 | L576-A585 HydrophobicContact CD2-CB 3.75Å; K581-A585 WeakPolarHBondContact O-CB 3.38Å; K581-A585 PolarHBondContact O-N 3.31Å; A585-L588 PolarHBondContact O-N 2.88Å; A585-A589 PolarHBondContact O-N 3.35Å |
| 586 | N | 95 | Very high | 93.3 | Very high | 91 Ų | 91 | 81.3 Ų | 81.3 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.2 | -176.4 | 34.1 | 0 | 0 | 0 | 111.7 | A582 K583 A589 K590 | A582-N586 WeakPolarHBondContact O-CB 3.45Å; A582-N586 PolarHBondContact O-N 3.33Å; K583-N586 PolarHBondContact O-N 3.06Å; N586-A589 PolarHBondContact O-N 2.84Å; N586-K590 WeakPolarHBondContact O-CG 3.31Å; N586-K590 PolarHBondContact O-N 2.91Å; N586-K590 VanDerWaalsContact O-N 3.09Å |
| 587 | H | 93.4 | Very high | 93.3 | Very high | 62 Ų | 62 | 86.1 Ų | 86.1 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 178.6 | -167.8 | 58.8 | 0 | 0 | 0 | 112.1 | L572 K583 Y584 A589 K590 M591 | L572-H587 VanDerWaalsContact CD1-CD2 3.48Å; L572-H587 WeakPolarHBondContact CD1-CD2 3.36Å; K583-H587 WeakPolarHBondContact O-CB 3.45Å; K583-H587 PolarHBondContact O-N 3.09Å; Y584-H587 PolarHBondContact O-N 2.75Å; H587-A589 PolarHBondContact O-N 2.9Å; H587-K590 PolarHBondContact O-N 3.41Å; H587-M591 WeakPolarHBondContact O-CB 3.41Å; H587-M591 PolarHBondContact O-N 3.38Å |
| 588 | L | 95.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 82.1 Ų | 82.1 | 7% | 0.068 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 173.9 | 178.6 | 65.3 | 0 | 0 | 0 | 112.2 | T569 L572 L576 Y584 A585 M591 K592 | T569-L588 HydrophobicContact CG2-CD1 4.02Å; L572-L588 HydrophobicContact CB-CB 4.18Å; L572-L588 HydrophobicContact CB-CD1 3.99Å; L572-L588 HydrophobicContact CD1-CB 4.4Å; L572-L588 HydrophobicContact CD1-CD1 4.44Å; L576-L588 HydrophobicContact CD1-CD2 4.21Å; Y584-L588 VanDerWaalsContact O-CB 3.27Å; Y584-L588 WeakPolarHBondContact O-CB 3.32Å; Y584-L588 PolarHBondContact O-N 3.48Å; A585-L588 PolarHBondContact O-N 2.88Å; L588-M591 PolarHBondContact O-N 3.38Å; L588-K592 WeakPolarHBondContact O-CG 3.26Å; L588-K592 PolarHBondContact O-N 3.24Å |
| 589 | A | 96.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 81.8 Ų | 81.8 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A585 N586 H587 M591 K592 E593 | A585-A589 PolarHBondContact O-N 3.35Å; N586-A589 PolarHBondContact O-N 2.84Å; H587-A589 PolarHBondContact O-N 2.9Å; A589-M591 PolarHBondContact O-N 3.08Å; A589-K592 PolarHBondContact O-N 2.9Å; A589-E593 PolarHBondContact O-N 3.37Å |
| 590 | K | 96.1 | Very high | 94.2 | Very high | 98 Ų | 98 | 74.8 Ų | 74.8 | 43% | 0.426 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 176.9 | -68.8 | -176.9 | 177.9 | -167.5 | 0 | 112.9 | L401 N586 H587 E593 E594 | L401-K590 HydrophobicContact CD1-CB 3.74Å; N586-K590 WeakPolarHBondContact O-CG 3.31Å; N586-K590 PolarHBondContact O-N 2.91Å; N586-K590 VanDerWaalsContact O-N 3.09Å; H587-K590 PolarHBondContact O-N 3.41Å; K590-E593 PolarHBondContact O-N 3.02Å; K590-E594 WeakPolarHBondContact O-CB 3.44Å; K590-E594 PolarHBondContact O-N 3.07Å |
| 591 | M | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 177.8 | -168.1 | 69 | 94.6 | 0 | 0 | 111.5 | L401 L402 E405 Y565 T569 L572 H587 L588 A589 E594 H595 | L401-M591 HydrophobicContact CB-CE 4.41Å; L401-M591 HydrophobicContact CB-SD 4.03Å; L402-M591 HydrophobicContact CB-SD 4.46Å; L402-M591 HydrophobicContact CD1-CE 4.43Å; E405-M591 WeakPolarHBondContact OE2-CE 3.41Å; Y565-M591 HydrophobicContact CD1-CG 4.17Å; Y565-M591 HydrophobicContact CD1-SD 4.03Å; Y565-M591 HydrophobicContact CE1-CG 4.43Å; Y565-M591 HydrophobicContact CE1-SD 3.84Å; T569-M591 HydrophobicContact CG2-CG 4.25Å; L572-M591 HydrophobicContact CD1-CB 4.38Å; H587-M591 WeakPolarHBondContact O-CB 3.41Å; H587-M591 PolarHBondContact O-N 3.38Å; L588-M591 PolarHBondContact O-N 3.38Å; A589-M591 PolarHBondContact O-N 3.08Å; M591-E594 PolarHBondContact O-N 3.31Å; M591-H595 WeakPolarHBondContact O-CB 3.28Å; M591-H595 PolarHBondContact O-N 3.3Å |
| 592 | K | 96.3 | Very high | 94.5 | Very high | 116 Ų | 116 | 66.1 Ų | 66.1 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.1 | -73.7 | -177.7 | 176.9 | -178.4 | 0 | 112.4 | T569 L588 A589 H595 Q596 | T569-K592 HydrophobicContact CG2-CG 4.19Å; L588-K592 WeakPolarHBondContact O-CG 3.26Å; L588-K592 PolarHBondContact O-N 3.24Å; A589-K592 PolarHBondContact O-N 2.9Å; K592-H595 PolarHBondContact O-N 2.94Å; K592-Q596 PolarHBondContact O-N 3Å |
| 593 | E | 96.5 | Very high | 94.6 | Very high | 112 Ų | 112 | 66.1 Ų | 66.1 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.6 | -167.9 | -166.7 | 154.7 | 0 | 0 | 111.5 | A589 K590 Q596 R597 | A589-E593 PolarHBondContact O-N 3.37Å; K590-E593 PolarHBondContact O-N 3.02Å; E593-Q596 PolarHBondContact O-N 2.84Å; E593-R597 VanDerWaalsContact CD-NH2 3.33Å; E593-R597 WeakPolarHBondContact O-CB 3.38Å; E593-R597 PolarHBondContact O-N 3.3Å; E593-R597 IonicContact OE1-CZ 3.84Å; E593-R597 IonicContact OE1-NH2 3.49Å; E593-R597 PolarHBondContact OE1-NH2 3.01Å |
| 594 | E | 95.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.5 | -171.8 | -174 | 85.3 | 0 | 0 | 111.9 | G399 D400 L401 L402 Y565 K590 M591 Q596 R597 Q598 | G399-E594 WeakPolarHBondContact CA-OE1 3.33Å; D400-E594 PolarHBondContact N-OE2 3.49Å; D400-E594 VanDerWaalsContact N-OE2 3.07Å; L401-E594 WeakPolarHBondContact CB-OE2 3.46Å; L401-E594 HydrophobicContact CD1-CB 4.32Å; L401-E594 WeakPolarHBondContact CG-OE2 3.34Å; L401-E594 PolarHBondContact N-OE2 3.1Å; L402-E594 PolarHBondContact N-OE1 2.93Å; Y565-E594 WeakPolarHBondContact CE1-OE1 3.32Å; Y565-E594 PolarHBondContact OH-OE1 3.43Å; K590-E594 WeakPolarHBondContact O-CB 3.44Å; K590-E594 PolarHBondContact O-N 3.07Å; M591-E594 PolarHBondContact O-N 3.31Å; E594-Q596 PolarHBondContact O-N 3.02Å; E594-R597 PolarHBondContact O-N 3.31Å; E594-Q598 WeakPolarHBondContact O-CB 3.31Å; E594-Q598 PolarHBondContact O-N 3.16Å |
| 595 | H | 96.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 22% | 0.222 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.4 | -177.5 | -163.3 | 0 | 0 | 0 | 112.1 | N562 Y565 M591 K592 Q598 S599 | N562-H595 PolarHBondContact OD1-NE2 3.16Å; Y565-H595 HydrophobicContact CD1-CB 3.74Å; Y565-H595 HydrophobicContact CD2-CB 4.19Å; Y565-H595 AromaticContact CD2-CD2 3.55Å; Y565-H595 AromaticContact CD2-CG 3.86Å; Y565-H595 HydrophobicContact CE1-CB 3.99Å; Y565-H595 HydrophobicContact CE2-CB 4.4Å; Y565-H595 HydrophobicContact CG-CB 3.85Å; Y565-H595 AromaticContact CG-CD2 3.84Å; Y565-H595 AromaticContact CG-CG 3.67Å; M591-H595 WeakPolarHBondContact O-CB 3.28Å; M591-H595 PolarHBondContact O-N 3.3Å; K592-H595 PolarHBondContact O-N 2.94Å; H595-Q598 PolarHBondContact O-N 2.97Å; H595-S599 PolarHBondContact O-N 2.85Å; H595-S599 PolarHBondContact O-OG 3.28Å |
| 596 | Q | 96.3 | Very high | 94.3 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 176.5 | -179.8 | 59.8 | 26.2 | 0 | 0 | 111.2 | K592 E593 E594 Q598 S599 E600 | K592-Q596 PolarHBondContact O-N 3Å; E593-Q596 PolarHBondContact O-N 2.84Å; E594-Q596 PolarHBondContact O-N 3.02Å; Q596-Q598 VanDerWaalsContact C-N 3.28Å; Q596-Q598 PolarHBondContact O-N 2.9Å; Q596-S599 WeakPolarHBondContact O-CB 3.49Å; Q596-S599 PolarHBondContact O-N 3.41Å; Q596-S599 VanDerWaalsContact O-N 3.1Å; Q596-E600 WeakPolarHBondContact CG-OE1 3.3Å; Q596-E600 PolarHBondContact NE2-OE1 3.48Å; Q596-E600 WeakPolarHBondContact O-CG 3.46Å; Q596-E600 PolarHBondContact O-N 3.04Å |
| 597 | R | 93.1 | Very high | 94.1 | Very high | 134 Ų | 134 | 60.8 Ų | 60.8 | 51% | 0.506 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 179.4 | -166.6 | -171.5 | -56 | 137.9 | -0.8 | 111.9 | E593 E594 R601 | E593-R597 VanDerWaalsContact CD-NH2 3.33Å; E593-R597 WeakPolarHBondContact O-CB 3.38Å; E593-R597 PolarHBondContact O-N 3.3Å; E593-R597 IonicContact OE1-CZ 3.84Å; E593-R597 IonicContact OE1-NH2 3.49Å; E593-R597 PolarHBondContact OE1-NH2 3.01Å; E594-R597 PolarHBondContact O-N 3.31Å; R597-R601 VanDerWaalsContact O-CB 3.31Å; R597-R601 WeakPolarHBondContact O-CB 3.42Å; R597-R601 PolarHBondContact O-N 3.01Å |
| 598 | Q | 93 | Very high | 93.6 | Very high | 29 Ų | 29 | 60.9 Ų | 60.9 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.4 | -166.8 | 75.7 | -18.2 | 0 | 0 | 111.6 | S397 G556 V560 E594 H595 Q596 R601 V602 | S397-Q598 PolarHBondContact O-NE2 2.77Å; G556-Q598 PolarHBondContact O-NE2 3.5Å; V560-Q598 HydrophobicContact CG1-CG 4.48Å; V560-Q598 HydrophobicContact CG2-CG 4.25Å; E594-Q598 WeakPolarHBondContact O-CB 3.31Å; E594-Q598 PolarHBondContact O-N 3.16Å; H595-Q598 PolarHBondContact O-N 2.97Å; Q596-Q598 VanDerWaalsContact C-N 3.28Å; Q596-Q598 PolarHBondContact O-N 2.9Å; Q598-R601 WeakPolarHBondContact O-CB 3.47Å; Q598-R601 PolarHBondContact O-N 3.43Å; Q598-V602 WeakPolarHBondContact O-CG2 3.4Å; Q598-V602 PolarHBondContact O-N 2.89Å |
| 599 | S | 95.2 | Very high | 93.2 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | H595 Q596 S603 | H595-S599 PolarHBondContact O-N 2.85Å; H595-S599 PolarHBondContact O-OG 3.28Å; Q596-S599 WeakPolarHBondContact O-CB 3.49Å; Q596-S599 PolarHBondContact O-N 3.41Å; Q596-S599 VanDerWaalsContact O-N 3.1Å; S599-S603 WeakPolarHBondContact O-CB 3.09Å; S599-S603 PolarHBondContact O-N 3.19Å |
| 600 | E | 94.4 | Very high | 92.6 | Very high | 111 Ų | 111 | 58.5 Ų | 58.5 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 174.1 | -70.6 | 170.8 | -173.1 | 0 | 0 | 111.6 | Q596 S603 L604 | Q596-E600 WeakPolarHBondContact CG-OE1 3.3Å; Q596-E600 PolarHBondContact NE2-OE1 3.48Å; Q596-E600 WeakPolarHBondContact O-CG 3.46Å; Q596-E600 PolarHBondContact O-N 3.04Å; E600-S603 PolarHBondContact O-N 3.08Å; E600-L604 WeakPolarHBondContact O-CB 3.18Å; E600-L604 PolarHBondContact O-N 3Å |
| 601 | R | 91 | Very high | 91.9 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 177.3 | 174.6 | 63.8 | 178.7 | 142 | 2.8 | 111.7 | I513 D557 R597 Q598 S603 L604 V605 | I513-R601 VanDerWaalsContact CG2-NH1 3.32Å; D557-R601 IonicContact OD1-CZ 3.73Å; D557-R601 VanDerWaalsContact OD1-CZ 3.25Å; D557-R601 IonicContact OD1-NE 2.61Å; D557-R601 PolarHBondContact OD1-NE 3.49Å; D557-R601 IonicContact OD1-NH2 3.83Å; D557-R601 PolarHBondContact OD1-NH2 3.04Å; R597-R601 VanDerWaalsContact O-CB 3.31Å; R597-R601 WeakPolarHBondContact O-CB 3.42Å; R597-R601 PolarHBondContact O-N 3.01Å; Q598-R601 WeakPolarHBondContact O-CB 3.47Å; Q598-R601 PolarHBondContact O-N 3.43Å; R601-S603 VanDerWaalsContact C-N 3.35Å; R601-S603 PolarHBondContact O-N 2.94Å; R601-L604 PolarHBondContact O-N 2.77Å; R601-V605 VanDerWaalsContact CZ-CG2 3.49Å; R601-V605 VanDerWaalsContact NH1-CG2 3.25Å; R601-V605 WeakPolarHBondContact O-CG2 3.3Å; R601-V605 PolarHBondContact O-N 3.25Å |
| 602 | V | 94.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 178.8 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | G556 I558 V560 Q598 L604 V605 K606 | G556-V602 VanDerWaalsContact O-CG2 3.24Å; G556-V602 WeakPolarHBondContact O-CG2 3.48Å; I558-V602 WeakPolarHBondContact O-CG1 3.41Å; V560-V602 HydrophobicContact CG2-CB 4.01Å; V560-V602 HydrophobicContact CG2-CG1 4.41Å; V560-V602 HydrophobicContact CG2-CG2 3.64Å; Q598-V602 WeakPolarHBondContact O-CG2 3.4Å; Q598-V602 PolarHBondContact O-N 2.89Å; V602-L604 VanDerWaalsContact C-N 3.34Å; V602-L604 PolarHBondContact O-N 3.02Å; V602-V605 PolarHBondContact O-N 3.28Å; V602-K606 HydrophobicContact CG1-CD 4.07Å; V602-K606 HydrophobicContact CG1-CG 4.48Å; V602-K606 WeakPolarHBondContact O-CB 3.47Å; V602-K606 WeakPolarHBondContact O-CG 3.5Å; V602-K606 PolarHBondContact O-N 2.93Å |
| 603 | S | 94.3 | Very high | 89.3 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 57% | 0.566 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -58.9 | -45.7 | 176 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | S599 E600 R601 K606 G607 | S599-S603 WeakPolarHBondContact O-CB 3.09Å; S599-S603 PolarHBondContact O-N 3.19Å; E600-S603 PolarHBondContact O-N 3.08Å; R601-S603 VanDerWaalsContact C-N 3.35Å; R601-S603 PolarHBondContact O-N 2.94Å; S603-K606 PolarHBondContact O-N 3.37Å; S603-G607 PolarHBondContact O-N 2.88Å |
| 604 | L | 91.3 | Very high | 87.6 | Confident | 91 Ų | 91 | 61 Ų | 61 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 178.8 | -175.9 | 145.2 | 0 | 0 | 0 | 112.5 | W517 E600 R601 V602 G607 R608 | W517-L604 HydrophobicContact CZ2-CD2 3.78Å; E600-L604 WeakPolarHBondContact O-CB 3.18Å; E600-L604 PolarHBondContact O-N 3Å; R601-L604 PolarHBondContact O-N 2.77Å; V602-L604 VanDerWaalsContact C-N 3.34Å; V602-L604 PolarHBondContact O-N 3.02Å; L604-G607 PolarHBondContact O-N 3.39Å; L604-R608 PolarHBondContact O-N 3.06Å |
| 605 | V | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 178.2 | 171 | 0 | 0 | 0 | 0 | 111 | L553 D557 I558 R601 V602 G607 R608 L609 | L553-V605 HydrophobicContact CD1-CG1 3.9Å; L553-V605 HydrophobicContact CD2-CG1 3.84Å; L553-V605 HydrophobicContact CD2-CG2 4.22Å; D557-V605 HydrophobicContact CB-CG2 4.42Å; D557-V605 WeakPolarHBondContact O-CB 3.24Å; I558-V605 HydrophobicContact CG2-CG1 4.2Å; R601-V605 VanDerWaalsContact CZ-CG2 3.49Å; R601-V605 VanDerWaalsContact NH1-CG2 3.25Å; R601-V605 WeakPolarHBondContact O-CG2 3.3Å; R601-V605 PolarHBondContact O-N 3.25Å; V602-V605 PolarHBondContact O-N 3.28Å; V605-G607 PolarHBondContact O-N 2.96Å; V605-R608 WeakPolarHBondContact O-CB 3.44Å; V605-R608 PolarHBondContact O-N 2.89Å; V605-R608 VanDerWaalsContact O-N 3.14Å; V605-L609 HydrophobicContact CG1-CD1 4.29Å; V605-L609 PolarHBondContact O-N 3.39Å |
| 606 | K | 91.4 | Very high | 83.7 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -43 | 175.8 | -72 | -179 | 177.9 | -176.9 | 0 | 111.9 | I558 V602 S603 R608 L609 A610 V649 I653 | I558-K606 VanDerWaalsContact O-CE 3.26Å; I558-K606 WeakPolarHBondContact O-CE 3.39Å; V602-K606 HydrophobicContact CG1-CD 4.07Å; V602-K606 HydrophobicContact CG1-CG 4.48Å; V602-K606 WeakPolarHBondContact O-CB 3.47Å; V602-K606 WeakPolarHBondContact O-CG 3.5Å; V602-K606 PolarHBondContact O-N 2.93Å; S603-K606 PolarHBondContact O-N 3.37Å; K606-R608 VanDerWaalsContact C-N 3.26Å; K606-R608 PolarHBondContact O-N 3.32Å; K606-L609 PolarHBondContact O-N 3.23Å; K606-A610 PolarHBondContact O-N 2.94Å; K606-A610 VanDerWaalsContact O-N 3.08Å; K606-V649 HydrophobicContact CD-CG1 4.45Å; K606-V649 HydrophobicContact CG-CG1 4Å; K606-I653 HydrophobicContact CB-CD1 4.41Å |
| 607 | G | 89.7 | Confident | 81.9 | Confident | 39 Ų | 39 | 67 Ų | 67 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -34.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S603 L604 V605 | S603-G607 PolarHBondContact O-N 2.88Å; L604-G607 PolarHBondContact O-N 3.39Å; V605-G607 PolarHBondContact O-N 2.96Å |
| 608 | R | 84.8 | Confident | 80.4 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 24% | 0.242 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.9 | -45.8 | 175.3 | -178.2 | 56.8 | -178 | -167.9 | -3.5 | 112.5 | W517 F521 L604 V605 K606 A610 I611 D612 | W517-R608 HydrophobicContact CH2-CB 4.36Å; W517-R608 HydrophobicContact CH2-CG 3.98Å; W517-R608 HydrophobicContact CZ2-CB 4.43Å; W517-R608 HydrophobicContact CZ2-CG 4.35Å; W517-R608 HydrophobicContact CZ3-CG 4.14Å; F521-R608 VanDerWaalsContact CE2-NH2 3.27Å; L604-R608 PolarHBondContact O-N 3.06Å; V605-R608 WeakPolarHBondContact O-CB 3.44Å; V605-R608 PolarHBondContact O-N 2.89Å; V605-R608 VanDerWaalsContact O-N 3.14Å; K606-R608 VanDerWaalsContact C-N 3.26Å; K606-R608 PolarHBondContact O-N 3.32Å; R608-A610 PolarHBondContact O-N 3.33Å; R608-I611 PolarHBondContact O-N 3.14Å; R608-D612 IonicContact CZ-OD1 3.84Å; R608-D612 IonicContact NE-OD1 3.59Å; R608-D612 IonicContact NE-OD2 3.91Å; R608-D612 PolarHBondContact NE-OD2 3.4Å; R608-D612 IonicContact NH2-OD1 3.09Å; R608-D612 PolarHBondContact O-N 3.01Å |
| 609 | L | 85.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.9 | -33.3 | 176.1 | -75.2 | 169.8 | 0 | 0 | 0 | 111.8 | L549 V605 K606 I611 D612 F646 V649 L650 I653 F656 | L549-L609 HydrophobicContact CD2-CD2 3.48Å; L549-L609 VanDerWaalsContact CD2-CD2 3.48Å; L549-L609 HydrophobicContact CD2-CG 4.37Å; L549-L609 HydrophobicContact CG-CD2 4.47Å; V605-L609 HydrophobicContact CG1-CD1 4.29Å; V605-L609 PolarHBondContact O-N 3.39Å; K606-L609 PolarHBondContact O-N 3.23Å; L609-I611 VanDerWaalsContact C-N 3.26Å; L609-I611 PolarHBondContact O-N 3.42Å; L609-D612 PolarHBondContact O-N 3.34Å; L609-F646 HydrophobicContact CD1-CE2 4.44Å; L609-V649 HydrophobicContact CD1-CG1 4.14Å; L609-L650 HydrophobicContact CD1-CD2 4.49Å; L609-L650 HydrophobicContact CD2-CD2 4.44Å; L609-I653 HydrophobicContact CB-CD1 3.55Å; L609-I653 HydrophobicContact CD1-CD1 4.04Å; L609-I653 HydrophobicContact CG-CD1 4.46Å; L609-F656 WeakPolarHBondContact O-CD2 3.27Å |
| 610 | A | 84.3 | Confident | 78.9 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K606 R608 I653 E655 | K606-A610 PolarHBondContact O-N 2.94Å; K606-A610 VanDerWaalsContact O-N 3.08Å; R608-A610 PolarHBondContact O-N 3.33Å; A610-I653 HydrophobicContact CB-CG2 3.65Å; A610-E655 HydrophobicContact CB-CB 4.15Å; A610-E655 HydrophobicContact CB-CG 4.43Å; A610-E655 WeakPolarHBondContact O-CB 3.4Å |
| 611 | I | 80.6 | Confident | 78.5 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -29.7 | -179.1 | -61.8 | 164 | 0 | 0 | 0 | 111.5 | R608 L609 K613 | R608-I611 PolarHBondContact O-N 3.14Å; L609-I611 VanDerWaalsContact C-N 3.26Å; L609-I611 PolarHBondContact O-N 3.42Å; I611-K613 PolarHBondContact O-N 3.19Å; I611-K613 VanDerWaalsContact O-N 3.09Å |
| 612 | D | 72.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | trans | -82.6 | 88.4 | -175.7 | -70.9 | -18.5 | 0 | 0 | 0 | 110 | K545 R608 L609 D614 F656 | K545-D612 WeakPolarHBondContact CE-OD1 3.42Å; K545-D612 WeakPolarHBondContact CE-OD2 3.45Å; K545-D612 IonicContact NZ-OD1 2.63Å; K545-D612 PolarHBondContact NZ-OD1 2.88Å; K545-D612 IonicContact NZ-OD2 3.23Å; K545-D612 PolarHBondContact NZ-OD2 3.36Å; R608-D612 IonicContact CZ-OD1 3.84Å; R608-D612 IonicContact NE-OD1 3.59Å; R608-D612 IonicContact NE-OD2 3.91Å; R608-D612 PolarHBondContact NE-OD2 3.4Å; R608-D612 IonicContact NH2-OD1 3.09Å; R608-D612 PolarHBondContact O-N 3.01Å; L609-D612 PolarHBondContact O-N 3.34Å; D612-D614 VanDerWaalsContact C-N 3.34Å; D612-D614 PolarHBondContact O-N 2.92Å; D612-F656 WeakPolarHBondContact O-CD2 3.42Å | ||
| 613 | K | 65.4 | Low | 77.8 | Confident | 146 Ų | 146 | 61.9 Ų | 61.9 | 64% | 0.635 | 33% | 0.33 | S | S | * | . | trans | -89 | 15.3 | -174.1 | -65.1 | -175.1 | 177.7 | -176.2 | 0 | 115.2 | I611 L615 | I611-K613 PolarHBondContact O-N 3.19Å; I611-K613 VanDerWaalsContact O-N 3.09Å; K613-L615 VanDerWaalsContact C-N 3.35Å; K613-L615 PolarHBondContact O-N 3.32Å | ||
| 614 | D | 59.2 | Low | 77.6 | Confident | 95 Ų | 95 | 58 Ų | 58 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | trans | -76.9 | 78.3 | -173.3 | -65.7 | -22 | 0 | 0 | 0 | 111.5 | S543 D612 | S543-D614 PolarHBondContact OG-OD2 3.2Å; D612-D614 VanDerWaalsContact C-N 3.34Å; D612-D614 PolarHBondContact O-N 2.92Å | ||
| 615 | L | 60.2 | Low | 77.5 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | trans | -144.1 | 124.6 | 173 | -70.5 | -178.7 | 0 | 0 | 0 | 113.6 | K613 F620 F656 | K613-L615 VanDerWaalsContact C-N 3.35Å; K613-L615 PolarHBondContact O-N 3.32Å; L615-F620 HydrophobicContact CD1-CD1 4.45Å; L615-F620 HydrophobicContact CD1-CE1 3.84Å; L615-F620 HydrophobicContact CD1-CZ 3.97Å; L615-F620 HydrophobicContact CD2-CD1 3.77Å; L615-F620 HydrophobicContact CD2-CD2 3.42Å; L615-F620 VanDerWaalsContact CD2-CD2 3.42Å; L615-F620 HydrophobicContact CD2-CE1 3.56Å; L615-F620 HydrophobicContact CD2-CE2 3.16Å; L615-F620 HydrophobicContact CD2-CG 3.68Å; L615-F620 HydrophobicContact CD2-CZ 3.24Å; L615-F620 HydrophobicContact CG-CE1 4.32Å; L615-F620 HydrophobicContact CG-CZ 4.27Å; L615-F656 HydrophobicContact CD1-CD1 3.98Å; L615-F656 HydrophobicContact CD1-CE1 3.17Å; L615-F656 HydrophobicContact CD1-CE2 3.96Å; L615-F656 HydrophobicContact CD1-CZ 3.18Å; L615-F656 HydrophobicContact CG-CE1 4.43Å; L615-F656 HydrophobicContact CG-CZ 4.03Å | ||
| 616 | H | 51.2 | Low | 77.3 | Confident | 153 Ų | 153 | 56 Ų | 56 | 71% | 0.708 | 30% | 0.298 | S | S | * | . | trans | -119.2 | 125.6 | 168.5 | -75.5 | -73.9 | 0 | 0 | 0 | 109.5 | F620 | H616-F620 WeakPolarHBondContact O-CB 3.35Š| ||
| 617 | I | 59.5 | Low | 77.1 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 52% | 0.518 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | 55 | 163.1 | 132.1 | -63.6 | 179.6 | 0 | 0 | 0 | 116.5 | E619 F620 I720 | I617-E619 PolarHBondContact O-N 3.47Å; I617-F620 WeakPolarHBondContact O-CB 3.21Å; I617-F620 PolarHBondContact O-N 3.36Å; I617-I720 HydrophobicContact CG1-CG1 4.46Å |
| 618 | P | 60.7 | Low | 77.2 | Confident | 56 Ų | 56 | 53 Ų | 53 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -52.7 | -27.4 | -155.1 | -32.6 | 39.8 | 0 | 0 | 0 | 117.8 | F620 I621 S622 I720 | P618-F620 PolarHBondContact O-N 3.46Å; P618-I621 PolarHBondContact O-N 3.32Å; P618-S622 PolarHBondContact O-N 2.85Å; P618-S622 VanDerWaalsContact O-N 3.08Å; P618-I720 HydrophobicContact CG-CD1 3.17Å |
| 619 | E | 73.1 | Confident | 77.6 | Confident | 112 Ų | 112 | 50 Ų | 50 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.3 | -36.6 | 174.4 | -61.6 | 80 | -173.3 | 0 | 0 | 110.9 | C541 I617 S623 | C541-E619 HydrophobicContact CB-CB 3.71Å; C541-E619 WeakPolarHBondContact CB-O 3.32Å; I617-E619 PolarHBondContact O-N 3.47Å; E619-S623 WeakPolarHBondContact O-CB 3.4Å; E619-S623 PolarHBondContact O-N 2.71Å |
| 620 | F | 82.9 | Confident | 77.9 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.9 | -51.7 | 170.8 | 165.3 | -115.8 | 0 | 0 | 0 | 112.3 | F542 F546 L615 H616 I617 P618 S622 S623 F624 F658 | F542-F620 HydrophobicContact CB-CD2 3.56Å; F542-F620 HydrophobicContact CB-CE2 3.98Å; F542-F620 AromaticContact CD1-CD2 3.67Å; F542-F620 HydrophobicContact CD1-CD2 3.67Å; F542-F620 HydrophobicContact CD1-CE2 4.03Å; F542-F620 AromaticContact CG-CD2 3.8Å; F542-F620 HydrophobicContact CG-CD2 3.8Å; F542-F620 AromaticContact CG-CE2 3.97Å; F542-F620 HydrophobicContact CG-CE2 3.97Å; F546-F620 HydrophobicContact CD1-CE2 4.25Å; F546-F620 AromaticContact CE1-CE2 3.84Å; F546-F620 HydrophobicContact CE1-CE2 3.84Å; F546-F620 HydrophobicContact CE1-CZ 4.03Å; F546-F620 HydrophobicContact CZ-CE2 4.5Å; F546-F620 HydrophobicContact CZ-CZ 4.25Å; L615-F620 HydrophobicContact CD1-CD1 4.45Å; L615-F620 HydrophobicContact CD1-CE1 3.84Å; L615-F620 HydrophobicContact CD1-CZ 3.97Å; L615-F620 HydrophobicContact CD2-CD1 3.77Å; L615-F620 HydrophobicContact CD2-CD2 3.42Å; L615-F620 VanDerWaalsContact CD2-CD2 3.42Å; L615-F620 HydrophobicContact CD2-CE1 3.56Å; L615-F620 HydrophobicContact CD2-CE2 3.16Å; L615-F620 HydrophobicContact CD2-CG 3.68Å; L615-F620 HydrophobicContact CD2-CZ 3.24Å; L615-F620 HydrophobicContact CG-CE1 4.32Å; L615-F620 HydrophobicContact CG-CZ 4.27Å; H616-F620 WeakPolarHBondContact O-CB 3.35Å; I617-F620 WeakPolarHBondContact O-CB 3.21Å; I617-F620 PolarHBondContact O-N 3.36Å; P618-F620 PolarHBondContact O-N 3.46Å; F620-S622 PolarHBondContact O-N 3.29Å; F620-S623 PolarHBondContact O-N 2.98Å; F620-F624 HydrophobicContact CD2-CB 4.13Å; F620-F624 HydrophobicContact CE2-CB 3.75Å; F620-F624 HydrophobicContact CE2-CD1 4.5Å; F620-F624 HydrophobicContact CE2-CG 4.04Å; F620-F624 HydrophobicContact CZ-CB 4.05Å; F620-F624 HydrophobicContact CZ-CD1 4.01Å; F620-F624 HydrophobicContact CZ-CG 4.01Å; F620-F624 WeakPolarHBondContact O-CB 3.25Å; F620-F624 PolarHBondContact O-N 2.98Å; F620-F658 HydrophobicContact CE1-CD2 4.13Å; F620-F658 AromaticContact CE1-CE2 3.81Å; F620-F658 HydrophobicContact CE1-CE2 3.81Å; F620-F658 HydrophobicContact CZ-CE2 4.18Å |
| 621 | I | 85.7 | Confident | 78.2 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | -174.8 | -62.8 | 177.6 | 0 | 0 | 0 | 109.6 | P618 S623 F624 I625 P659 A662 F663 M666 | P618-I621 PolarHBondContact O-N 3.32Å; I621-S623 PolarHBondContact O-N 3.41Å; I621-F624 PolarHBondContact O-N 3.36Å; I621-I625 HydrophobicContact CG2-CD1 3.7Å; I621-I625 HydrophobicContact CG2-CG1 4.39Å; I621-I625 WeakPolarHBondContact O-CB 3.23Å; I621-I625 VanDerWaalsContact O-CG1 3.27Å; I621-I625 WeakPolarHBondContact O-CG1 3.3Å; I621-I625 PolarHBondContact O-N 3.02Å; I621-P659 HydrophobicContact CD1-CB 4.24Å; I621-P659 HydrophobicContact CD1-CG 3.71Å; I621-P659 HydrophobicContact CG1-CG 4.03Å; I621-A662 HydrophobicContact CD1-CB 3.82Å; I621-F663 HydrophobicContact CG2-CB 4.25Å; I621-F663 HydrophobicContact CG2-CD2 4.08Å; I621-M666 HydrophobicContact CB-SD 4.22Å; I621-M666 HydrophobicContact CG2-CB 4.06Å; I621-M666 HydrophobicContact CG2-CG 4.35Å; I621-M666 HydrophobicContact CG2-SD 3.66Å |
| 622 | S | 86.8 | Confident | 78.9 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 178.6 | -166.5 | 0 | 0 | 0 | 0 | 111.6 | P618 F620 A626 M666 | P618-S622 PolarHBondContact O-N 2.85Å; P618-S622 VanDerWaalsContact O-N 3.08Å; F620-S622 PolarHBondContact O-N 3.29Å; S622-A626 WeakPolarHBondContact O-CB 3.39Å; S622-A626 PolarHBondContact O-N 3.13Å; S622-M666 VanDerWaalsContact OG-CE 3.28Å; S622-M666 WeakPolarHBondContact OG-CE 3.43Å |
| 623 | S | 85.3 | Confident | 79.9 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | -179.3 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | C541 F542 E619 F620 I621 N627 | C541-S623 PolarHBondContact N-OG 3.36Å; F542-S623 WeakPolarHBondContact CE1-OG 3.21Å; E619-S623 WeakPolarHBondContact O-CB 3.4Å; E619-S623 PolarHBondContact O-N 2.71Å; F620-S623 PolarHBondContact O-N 2.98Å; I621-S623 PolarHBondContact O-N 3.41Å; S623-N627 VanDerWaalsContact O-CB 3.29Å; S623-N627 WeakPolarHBondContact O-CB 3.31Å; S623-N627 PolarHBondContact O-N 3.43Å; S623-N627 PolarHBondContact O-ND2 3.36Å; S623-N627 PolarHBondContact OG-ND2 2.97Å |
| 624 | F | 88.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.9 | -42.1 | 179.7 | 178.7 | -130.7 | 0 | 0 | 0 | 111.5 | F542 F546 F550 F620 I621 C628 V629 F646 F658 F663 | F542-F624 HydrophobicContact CE1-CB 4.16Å; F546-F624 AromaticContact CE1-CD2 3.77Å; F546-F624 HydrophobicContact CE1-CD2 3.77Å; F546-F624 AromaticContact CE1-CE2 3.7Å; F546-F624 HydrophobicContact CE1-CE2 3.7Å; F546-F624 HydrophobicContact CE1-CG 4.43Å; F546-F624 HydrophobicContact CE1-CZ 4.29Å; F546-F624 HydrophobicContact CZ-CD2 4.48Å; F546-F624 HydrophobicContact CZ-CE2 4.07Å; F546-F624 HydrophobicContact CZ-CZ 4.23Å; F550-F624 AromaticContact CD2-CE2 3.88Å; F550-F624 HydrophobicContact CD2-CE2 3.88Å; F550-F624 HydrophobicContact CD2-CZ 4.17Å; F550-F624 HydrophobicContact CE2-CE2 4.04Å; F550-F624 HydrophobicContact CE2-CZ 4.13Å; F550-F624 HydrophobicContact CG-CE2 4.29Å; F620-F624 HydrophobicContact CD2-CB 4.13Å; F620-F624 HydrophobicContact CE2-CB 3.75Å; F620-F624 HydrophobicContact CE2-CD1 4.5Å; F620-F624 HydrophobicContact CE2-CG 4.04Å; F620-F624 HydrophobicContact CZ-CB 4.05Å; F620-F624 HydrophobicContact CZ-CD1 4.01Å; F620-F624 HydrophobicContact CZ-CG 4.01Å; F620-F624 WeakPolarHBondContact O-CB 3.25Å; F620-F624 PolarHBondContact O-N 2.98Å; I621-F624 PolarHBondContact O-N 3.36Å; F624-C628 HydrophobicContact CD2-CB 3.56Å; F624-C628 HydrophobicContact CE2-CB 3.65Å; F624-C628 WeakPolarHBondContact O-CA 3.5Å; F624-C628 VanDerWaalsContact O-CB 3.25Å; F624-C628 WeakPolarHBondContact O-CB 3.39Å; F624-C628 PolarHBondContact O-N 3.07Å; F624-C628 VanDerWaalsContact O-N 3.11Å; F624-V629 HydrophobicContact CD1-CG2 4.13Å; F624-V629 HydrophobicContact CD2-CG2 4.4Å; F624-V629 HydrophobicContact CE1-CG2 3.77Å; F624-V629 HydrophobicContact CE2-CG2 4.05Å; F624-V629 HydrophobicContact CG-CG2 4.43Å; F624-V629 HydrophobicContact CZ-CG2 3.72Å; F624-V629 PolarHBondContact O-N 3.06Å; F624-F646 HydrophobicContact CZ-CD1 4.2Å; F624-F646 HydrophobicContact CZ-CE1 4.08Å; F624-F658 HydrophobicContact CD1-CE2 4.25Å; F624-F658 HydrophobicContact CD1-CZ 4.4Å; F624-F658 HydrophobicContact CE1-CE2 4.12Å; F624-F658 HydrophobicContact CE1-CZ 4.12Å; F624-F663 HydrophobicContact CD1-CD2 4.16Å; F624-F663 AromaticContact CD1-CE2 3.74Å; F624-F663 HydrophobicContact CD1-CE2 3.74Å; F624-F663 AromaticContact CE1-CE2 3.93Å; F624-F663 HydrophobicContact CE1-CE2 3.93Å |
| 625 | I | 90.5 | Very high | 82.7 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -59.9 | -53.3 | 174 | -71.9 | 172.9 | 0 | 0 | 0 | 110.1 | I621 V629 Y630 F663 M666 L667 | I621-I625 HydrophobicContact CG2-CD1 3.7Å; I621-I625 HydrophobicContact CG2-CG1 4.39Å; I621-I625 WeakPolarHBondContact O-CB 3.23Å; I621-I625 VanDerWaalsContact O-CG1 3.27Å; I621-I625 WeakPolarHBondContact O-CG1 3.3Å; I621-I625 PolarHBondContact O-N 3.02Å; I625-V629 PolarHBondContact O-N 3.42Å; I625-Y630 HydrophobicContact CG2-CD1 4.46Å; I625-Y630 HydrophobicContact CG2-CD2 3.56Å; I625-Y630 HydrophobicContact CG2-CE1 4.08Å; I625-Y630 HydrophobicContact CG2-CE2 3.1Å; I625-Y630 HydrophobicContact CG2-CG 4.22Å; I625-Y630 PolarHBondContact O-N 3.15Å; I625-F663 HydrophobicContact CD1-CD2 4.02Å; I625-F663 HydrophobicContact CD1-CE2 3.97Å; I625-F663 HydrophobicContact CG1-CD2 3.83Å; I625-F663 HydrophobicContact CG1-CE2 3.35Å; I625-F663 HydrophobicContact CG1-CZ 4.04Å; I625-M666 HydrophobicContact CD1-CB 3.98Å; I625-M666 HydrophobicContact CD1-CG 3.93Å; I625-M666 HydrophobicContact CD1-SD 4.35Å; I625-L667 HydrophobicContact CD1-CB 4.14Å; I625-L667 HydrophobicContact CD1-CD1 4.39Å; I625-L667 HydrophobicContact CG1-CD1 4.3Å; I625-L667 HydrophobicContact CG2-CD1 4.01Å |
| 626 | A | 86.1 | Confident | 84.2 | Confident | 43 Ų | 43 | 35.7 Ų | 35.7 | 36% | 0.355 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -70.9 | -42 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S622 Q631 | S622-A626 WeakPolarHBondContact O-CB 3.39Å; S622-A626 PolarHBondContact O-N 3.13Å; A626-Q631 WeakPolarHBondContact O-CG 3.49Å; A626-Q631 PolarHBondContact O-NE2 3.42Å |
| 627 | N | 85.4 | Confident | 86.1 | Confident | 59 Ų | 59 | 28.4 Ų | 28.4 | 32% | 0.316 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -98.8 | -13.8 | -171.4 | -60.4 | -73.5 | 0 | 0 | 0 | 114.2 | L540 S623 | L540-N627 HydrophobicContact CD2-CB 3.67Å; S623-N627 VanDerWaalsContact O-CB 3.29Å; S623-N627 WeakPolarHBondContact O-CB 3.31Å; S623-N627 PolarHBondContact O-N 3.43Å; S623-N627 PolarHBondContact O-ND2 3.36Å; S623-N627 PolarHBondContact OG-ND2 2.97Å |
| 628 | C | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -121.6 | -65.3 | -180 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | F547 F550 F624 R632 | F547-C628 WeakPolarHBondContact CD2-SG 3.46Å; F550-C628 HydrophobicContact CD1-CB 3.65Å; F550-C628 HydrophobicContact CE1-CB 3.48Å; F550-C628 VanDerWaalsContact CE1-CB 3.48Å; F550-C628 HydrophobicContact CG-CB 4.28Å; F550-C628 HydrophobicContact CZ-CB 3.96Å; F624-C628 HydrophobicContact CD2-CB 3.56Å; F624-C628 HydrophobicContact CE2-CB 3.65Å; F624-C628 WeakPolarHBondContact O-CA 3.5Å; F624-C628 VanDerWaalsContact O-CB 3.25Å; F624-C628 WeakPolarHBondContact O-CB 3.39Å; F624-C628 PolarHBondContact O-N 3.07Å; F624-C628 VanDerWaalsContact O-N 3.11Å; C628-R632 WeakPolarHBondContact O-CB 3.48Å; C628-R632 PolarHBondContact O-N 3.34Å |
| 629 | V | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -65.2 | -52.3 | -167.8 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | F624 I625 R632 C633 C643 F663 F689 | F624-V629 HydrophobicContact CD1-CG2 4.13Å; F624-V629 HydrophobicContact CD2-CG2 4.4Å; F624-V629 HydrophobicContact CE1-CG2 3.77Å; F624-V629 HydrophobicContact CE2-CG2 4.05Å; F624-V629 HydrophobicContact CG-CG2 4.43Å; F624-V629 HydrophobicContact CZ-CG2 3.72Å; F624-V629 PolarHBondContact O-N 3.06Å; I625-V629 PolarHBondContact O-N 3.42Å; V629-R632 PolarHBondContact O-N 3.02Å; V629-C633 VanDerWaalsContact O-CB 3.28Å; V629-C633 WeakPolarHBondContact O-CB 3.4Å; V629-C633 PolarHBondContact O-N 3.43Å; V629-C633 PolarHBondContact O-SG 3.38Å; V629-C643 HydrophobicContact CG1-CB 4.49Å; V629-F663 HydrophobicContact CG1-CZ 4.46Å; V629-F663 HydrophobicContact CG2-CE2 4.17Å; V629-F663 HydrophobicContact CG2-CZ 4.07Å; V629-F689 HydrophobicContact CG1-CE1 4.07Å; V629-F689 HydrophobicContact CG1-CE2 4.42Å; V629-F689 HydrophobicContact CG1-CZ 3.76Å |
| 630 | Y | 90.7 | Very high | 90.1 | Very high | 36 Ų | 36 | 17.1 Ų | 17.1 | 14% | 0.141 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | -179.7 | -71.7 | -34.4 | 0 | 0 | 0 | 112.6 | I625 R632 V634 L667 L674 F686 | I625-Y630 HydrophobicContact CG2-CD1 4.46Å; I625-Y630 HydrophobicContact CG2-CD2 3.56Å; I625-Y630 HydrophobicContact CG2-CE1 4.08Å; I625-Y630 HydrophobicContact CG2-CE2 3.1Å; I625-Y630 HydrophobicContact CG2-CG 4.22Å; I625-Y630 PolarHBondContact O-N 3.15Å; Y630-R632 PolarHBondContact O-N 3.14Å; Y630-V634 VanDerWaalsContact O-CG2 3.31Å; Y630-V634 WeakPolarHBondContact O-CG2 3.3Å; Y630-L667 HydrophobicContact CD1-CD1 4.37Å; Y630-L667 HydrophobicContact CE1-CD1 3.49Å; Y630-L667 VanDerWaalsContact CE1-CD1 3.49Å; Y630-L667 PolarHBondContact OH-O 3.08Å; Y630-L674 HydrophobicContact CD1-CD1 4.36Å; Y630-L674 HydrophobicContact CD2-CD1 4.26Å; Y630-L674 HydrophobicContact CE1-CD1 3.75Å; Y630-L674 HydrophobicContact CE2-CD1 3.61Å; Y630-L674 WeakPolarHBondContact OH-CD1 3.34Å; Y630-F686 AromaticContact CD1-CE2 3.87Å; Y630-F686 HydrophobicContact CD1-CE2 3.87Å; Y630-F686 AromaticContact CE1-CE2 3.77Å; Y630-F686 HydrophobicContact CE1-CE2 3.77Å; Y630-F686 HydrophobicContact CE1-CZ 4.08Å |
| 631 | Q | 91.3 | Very high | 90.6 | Very high | 82 Ų | 82 | 17.8 Ų | 17.8 | 38% | 0.383 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -61.9 | -35.2 | 179.8 | -58.5 | -54.8 | -34.2 | 0 | 0 | 112.1 | D499 W551 A626 | D499-Q631 HydrophobicContact CB-CB 4.32Å; W551-Q631 HydrophobicContact CH2-CB 3.97Å; W551-Q631 HydrophobicContact CZ2-CB 3.87Å; A626-Q631 WeakPolarHBondContact O-CG 3.49Å; A626-Q631 PolarHBondContact O-NE2 3.42Å |
| 632 | R | 95 | Very high | 91 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -90.4 | -38.5 | -175.9 | -171.8 | 165.7 | -177.1 | -177.8 | -3.7 | 113.5 | R506 F550 W551 L553 C628 V629 Y630 V634 F635 D639 F642 | R506-R632 VanDerWaalsContact CZ-NH2 3.28Å; F550-R632 HydrophobicContact CE1-CB 3.89Å; F550-R632 VanDerWaalsContact CE1-CD 3.47Å; F550-R632 HydrophobicContact CE1-CG 4.29Å; F550-R632 HydrophobicContact CZ-CB 4.04Å; F550-R632 HydrophobicContact CZ-CG 4.37Å; F550-R632 PolarHBondContact O-NH1 3.44Å; W551-R632 HydrophobicContact CE3-CG 4.36Å; W551-R632 HydrophobicContact CH2-CB 3.59Å; W551-R632 HydrophobicContact CH2-CG 4.19Å; W551-R632 HydrophobicContact CZ2-CB 4.16Å; W551-R632 HydrophobicContact CZ3-CB 3.79Å; W551-R632 HydrophobicContact CZ3-CG 3.85Å; L553-R632 PolarHBondContact O-NH1 3.34Å; L553-R632 PolarHBondContact O-NH2 3Å; C628-R632 WeakPolarHBondContact O-CB 3.48Å; C628-R632 PolarHBondContact O-N 3.34Å; V629-R632 PolarHBondContact O-N 3.02Å; Y630-R632 PolarHBondContact O-N 3.14Å; R632-V634 PolarHBondContact O-N 3.35Å; R632-F635 VanDerWaalsContact O-CB 3.24Å; R632-F635 WeakPolarHBondContact O-CB 3.27Å; R632-F635 PolarHBondContact O-N 3.32Å; R632-F635 VanDerWaalsContact O-N 3.09Å; R632-D639 HydrophobicContact CG-CB 3.79Å; R632-D639 IonicContact CZ-OD1 2.72Å; R632-D639 IonicContact NE-OD1 3.9Å; R632-D639 PolarHBondContact NE-OD1 2.91Å; R632-D639 IonicContact NH2-OD1 3.52Å; R632-D639 PolarHBondContact NH2-OD1 2.87Å; R632-D639 VanDerWaalsContact O-CB 3.22Å; R632-D639 WeakPolarHBondContact O-CB 3.37Å; R632-F642 VanDerWaalsContact NH1-CZ 3.3Å |
| 633 | C | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.2 | -20.5 | -174 | 73.3 | 0 | 0 | 0 | 0 | 113.5 | V629 A640 C643 F689 | V629-C633 VanDerWaalsContact O-CB 3.28Å; V629-C633 WeakPolarHBondContact O-CB 3.4Å; V629-C633 PolarHBondContact O-N 3.43Å; V629-C633 PolarHBondContact O-SG 3.38Å; C633-A640 WeakPolarHBondContact O-CB 3.35Å; C633-C643 HydrophobicContact CB-CB 3.99Å; C633-F689 HydrophobicContact CB-CB 4.07Å; C633-F689 HydrophobicContact CB-CD1 4.08Å; C633-F689 HydrophobicContact CB-CD2 4.37Å; C633-F689 HydrophobicContact CB-CG 3.92Å |
| 634 | V | 91 | Very high | 92 | Very high | 13 Ų | 13 | 14.5 Ų | 14.5 | 8% | 0.079 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -7.2 | 173 | -53 | 0 | 0 | 0 | 0 | 113 | Y630 R632 F678 E682 R685 F686 | Y630-V634 VanDerWaalsContact O-CG2 3.31Å; Y630-V634 WeakPolarHBondContact O-CG2 3.3Å; R632-V634 PolarHBondContact O-N 3.35Å; V634-F678 HydrophobicContact CG1-CE1 3.98Å; V634-F678 HydrophobicContact CG1-CE2 4.15Å; V634-F678 HydrophobicContact CG1-CZ 3.75Å; V634-E682 HydrophobicContact CB-CB 4.06Å; V634-E682 HydrophobicContact CB-CG 4.14Å; V634-E682 HydrophobicContact CG2-CG 4.39Å; V634-R685 WeakPolarHBondContact O-CD 3.43Å; V634-R685 PolarHBondContact O-NH1 2.92Å; V634-F686 HydrophobicContact CG1-CB 4.11Å; V634-F686 HydrophobicContact CG1-CD2 4.18Å |
| 635 | F | 92.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.013 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -46.8 | -173.8 | -162.9 | -86.6 | 0 | 0 | 0 | 112.6 | Q461 I465 D499 V500 F503 R632 R685 | Q461-F635 PolarHBondContact NE2-O 3Å; I465-F635 WeakPolarHBondContact CD1-O 3.4Å; I465-F635 HydrophobicContact CG1-CE1 4.19Å; D499-F635 HydrophobicContact CB-CD2 4.41Å; D499-F635 HydrophobicContact CB-CE2 4.47Å; V500-F635 HydrophobicContact CB-CE2 4.42Å; V500-F635 HydrophobicContact CG2-CE2 3.76Å; V500-F635 HydrophobicContact CG2-CZ 4.17Å; F503-F635 HydrophobicContact CB-CE1 3.82Å; F503-F635 HydrophobicContact CB-CE2 4.48Å; F503-F635 HydrophobicContact CB-CZ 3.74Å; F503-F635 AromaticContact CD1-CE1 3.59Å; F503-F635 HydrophobicContact CD1-CE1 3.59Å; F503-F635 AromaticContact CD1-CZ 3.73Å; F503-F635 HydrophobicContact CD1-CZ 3.73Å; F503-F635 HydrophobicContact CD2-CD1 4.15Å; F503-F635 AromaticContact CD2-CE1 3.58Å; F503-F635 HydrophobicContact CD2-CE1 3.58Å; F503-F635 HydrophobicContact CD2-CZ 4.34Å; F503-F635 AromaticContact CE1-CE1 3.98Å; F503-F635 HydrophobicContact CE1-CE1 3.98Å; F503-F635 HydrophobicContact CE1-CZ 4.42Å; F503-F635 AromaticContact CE2-CE1 3.98Å; F503-F635 HydrophobicContact CE2-CE1 3.98Å; F503-F635 HydrophobicContact CG-CD1 4.29Å; F503-F635 AromaticContact CG-CE1 3.37Å; F503-F635 HydrophobicContact CG-CE1 3.37Å; F503-F635 AromaticContact CG-CZ 3.68Å; F503-F635 HydrophobicContact CG-CZ 3.68Å; F503-F635 HydrophobicContact CZ-CE1 4.17Å; R632-F635 VanDerWaalsContact O-CB 3.24Å; R632-F635 WeakPolarHBondContact O-CB 3.27Å; R632-F635 PolarHBondContact O-N 3.32Å; R632-F635 VanDerWaalsContact O-N 3.09Å; F635-R685 PolarHBondContact O-NH1 3.36Å |
| 636 | S | 91.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 4% | 0.035 | 9% | 0.089 | C | C | . | . | trans | -154.6 | 160.1 | 176.5 | 78.3 | 0 | 0 | 0 | 0 | 110.5 | V638 D639 A640 | S636-V638 VanDerWaalsContact C-N 3.28Å; S636-V638 PolarHBondContact O-N 3.02Å; S636-D639 PolarHBondContact O-N 3.23Å; S636-D639 VanDerWaalsContact O-N 3.15Å; S636-D639 WeakPolarHBondContact OG-CB 3.28Å; S636-D639 VanDerWaalsContact OG-CG 3.31Å; S636-D639 PolarHBondContact OG-N 3.49Å; S636-D639 PolarHBondContact OG-OD2 3.05Å; S636-A640 PolarHBondContact O-N 2.72Å | ||
| 637 | D | 90 | Very high | 92.9 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.1 | -33.9 | 176.3 | -62.2 | -93 | 0 | 0 | 0 | 112.6 | T384 S385 L393 D639 A640 I641 R685 R688 | T384-D637 HydrophobicContact CG2-CB 3.61Å; S385-D637 WeakPolarHBondContact CA-OD2 3.2Å; S385-D637 PolarHBondContact N-OD2 3.19Å; L393-D637 HydrophobicContact CD2-CB 3.9Å; D637-D639 VanDerWaalsContact C-N 3.32Å; D637-A640 WeakPolarHBondContact O-CB 3.37Å; D637-A640 PolarHBondContact O-N 2.85Å; D637-I641 WeakPolarHBondContact O-CG1 3.43Å; D637-I641 PolarHBondContact O-N 2.92Å; D637-R685 IonicContact OD2-NE 3.37Å; D637-R688 IonicContact OD1-CZ 2.57Å; D637-R688 IonicContact OD1-NE 3.33Å; D637-R688 PolarHBondContact OD1-NE 3.33Å; D637-R688 IonicContact OD1-NH2 3.57Å; D637-R688 PolarHBondContact OD1-NH2 2.65Å |
| 638 | V | 90.8 | Very high | 93.2 | Very high | 29 Ų | 29 | 13 Ų | 13 | 18% | 0.176 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | T384 L393 Y396 S636 I641 F642 | T384-V638 HydrophobicContact CG2-CG2 4.05Å; L393-V638 HydrophobicContact CD2-CG2 4.27Å; Y396-V638 HydrophobicContact CD1-CG2 4.46Å; Y396-V638 HydrophobicContact CD2-CG2 4.22Å; Y396-V638 HydrophobicContact CG-CG2 4.03Å; S636-V638 VanDerWaalsContact C-N 3.28Å; S636-V638 PolarHBondContact O-N 3.02Å; V638-I641 PolarHBondContact O-N 3.49Å; V638-F642 WeakPolarHBondContact O-CB 3.4Å; V638-F642 PolarHBondContact O-N 3.37Å |
| 639 | D | 93.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.011 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -72.5 | -30.3 | 177.7 | -74.2 | -61.4 | 0 | 0 | 0 | 112.6 | R506 R632 S636 D637 F642 C643 | R506-D639 IonicContact CZ-OD1 3.49Å; R506-D639 IonicContact NH1-OD1 3.74Å; R506-D639 PolarHBondContact NH1-OD1 3.12Å; R506-D639 IonicContact NH1-OD2 3.75Å; R506-D639 IonicContact NH2-OD1 3.74Å; R506-D639 PolarHBondContact NH2-OD1 3.43Å; R506-D639 IonicContact NH2-OD2 2.76Å; R632-D639 HydrophobicContact CG-CB 3.79Å; R632-D639 IonicContact CZ-OD1 2.72Å; R632-D639 IonicContact NE-OD1 3.9Å; R632-D639 PolarHBondContact NE-OD1 2.91Å; R632-D639 IonicContact NH2-OD1 3.52Å; R632-D639 PolarHBondContact NH2-OD1 2.87Å; R632-D639 VanDerWaalsContact O-CB 3.22Å; R632-D639 WeakPolarHBondContact O-CB 3.37Å; S636-D639 PolarHBondContact O-N 3.23Å; S636-D639 VanDerWaalsContact O-N 3.15Å; S636-D639 WeakPolarHBondContact OG-CB 3.28Å; S636-D639 VanDerWaalsContact OG-CG 3.31Å; S636-D639 PolarHBondContact OG-N 3.49Å; S636-D639 PolarHBondContact OG-OD2 3.05Å; D637-D639 VanDerWaalsContact C-N 3.32Å; D639-F642 WeakPolarHBondContact O-CB 3.34Å; D639-F642 PolarHBondContact O-N 3.2Å; D639-C643 PolarHBondContact O-N 2.84Å; D639-C643 PolarHBondContact O-SG 3.48Å |
| 640 | A | 92.8 | Very high | 93 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.6 | -49 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C633 S636 D637 C643 H644 R685 F689 | C633-A640 WeakPolarHBondContact O-CB 3.35Å; S636-A640 PolarHBondContact O-N 2.72Å; D637-A640 WeakPolarHBondContact O-CB 3.37Å; D637-A640 PolarHBondContact O-N 2.85Å; A640-C643 PolarHBondContact O-N 3.26Å; A640-H644 PolarHBondContact O-N 3.06Å; A640-R685 WeakPolarHBondContact CB-O 3.23Å; A640-F689 HydrophobicContact CB-CB 4.07Å |
| 641 | I | 92.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 11.8 Ų | 11.8 | 10% | 0.097 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 175.7 | -61.1 | -57.9 | 0 | 0 | 0 | 111.1 | L393 T555 D637 V638 C643 H644 K645 R688 S692 | L393-I641 HydrophobicContact CD1-CG1 4.34Å; T555-I641 HydrophobicContact CG2-CG2 4.27Å; D637-I641 WeakPolarHBondContact O-CG1 3.43Å; D637-I641 PolarHBondContact O-N 2.92Å; V638-I641 PolarHBondContact O-N 3.49Å; I641-C643 VanDerWaalsContact C-N 3.33Å; I641-C643 PolarHBondContact O-N 3.47Å; I641-H644 PolarHBondContact O-N 2.88Å; I641-K645 HydrophobicContact CG2-CG 4.1Å; I641-K645 WeakPolarHBondContact O-CB 3.25Å; I641-K645 WeakPolarHBondContact O-CG 3.37Å; I641-K645 PolarHBondContact O-N 3.12Å; I641-R688 HydrophobicContact CD1-CG 4.03Å; I641-S692 VanDerWaalsContact CD1-OG 3.26Å; I641-S692 WeakPolarHBondContact CD1-OG 3.21Å |
| 642 | F | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.7 | -49.2 | 174.3 | 171.4 | -91.8 | 0 | 0 | 0 | 111.4 | F550 L553 T555 I558 R632 V638 D639 H644 K645 F646 | F550-F642 AromaticContact CD2-CE1 3.89Å; F550-F642 HydrophobicContact CD2-CE1 3.89Å; F550-F642 HydrophobicContact CD2-CZ 4.45Å; F550-F642 HydrophobicContact CE2-CD1 4.4Å; F550-F642 AromaticContact CE2-CE1 3.64Å; F550-F642 HydrophobicContact CE2-CE1 3.64Å; F550-F642 HydrophobicContact CZ-CE1 4.08Å; F550-F642 WeakPolarHBondContact O-CZ 3.37Å; L553-F642 HydrophobicContact CB-CE2 3.86Å; L553-F642 HydrophobicContact CB-CZ 4Å; L553-F642 WeakPolarHBondContact O-CE2 3.24Å; L553-F642 WeakPolarHBondContact O-CZ 3.41Å; T555-F642 WeakPolarHBondContact OG1-CB 3.4Å; I558-F642 HydrophobicContact CD1-CD2 3.68Å; I558-F642 HydrophobicContact CD1-CE2 3.61Å; I558-F642 HydrophobicContact CD1-CZ 4.43Å; I558-F642 HydrophobicContact CG1-CD2 4.34Å; I558-F642 HydrophobicContact CG1-CE2 4.24Å; R632-F642 VanDerWaalsContact NH1-CZ 3.3Å; V638-F642 WeakPolarHBondContact O-CB 3.4Å; V638-F642 PolarHBondContact O-N 3.37Å; D639-F642 WeakPolarHBondContact O-CB 3.34Å; D639-F642 PolarHBondContact O-N 3.2Å; F642-H644 VanDerWaalsContact C-N 3.32Å; F642-H644 PolarHBondContact O-N 3.34Å; F642-K645 PolarHBondContact O-N 3.49Å; F642-F646 HydrophobicContact CD1-CB 4.46Å; F642-F646 HydrophobicContact CE1-CB 3.98Å; F642-F646 HydrophobicContact CE1-CD2 4.21Å; F642-F646 HydrophobicContact CE1-CG 4.17Å; F642-F646 HydrophobicContact CE2-CD2 4.22Å; F642-F646 HydrophobicContact CZ-CB 4.03Å; F642-F646 AromaticContact CZ-CD2 3.59Å; F642-F646 HydrophobicContact CZ-CD2 3.59Å; F642-F646 HydrophobicContact CZ-CE2 4.35Å; F642-F646 HydrophobicContact CZ-CG 4.01Å; F642-F646 VanDerWaalsContact O-CB 3.25Å; F642-F646 WeakPolarHBondContact O-CB 3.44Å; F642-F646 PolarHBondContact O-N 3.46Å |
| 643 | C | 97 | Very high | 92.1 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.007 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | -177.3 | -69.8 | 0 | 0 | 0 | 0 | 111.2 | V629 C633 D639 A640 I641 F646 I647 F689 | V629-C643 HydrophobicContact CG1-CB 4.49Å; C633-C643 HydrophobicContact CB-CB 3.99Å; D639-C643 PolarHBondContact O-N 2.84Å; D639-C643 PolarHBondContact O-SG 3.48Å; A640-C643 PolarHBondContact O-N 3.26Å; I641-C643 VanDerWaalsContact C-N 3.33Å; I641-C643 PolarHBondContact O-N 3.47Å; C643-F646 PolarHBondContact O-N 2.85Å; C643-I647 VanDerWaalsContact O-CD1 3.31Å; C643-I647 WeakPolarHBondContact O-CD1 3.36Å; C643-I647 VanDerWaalsContact O-CG1 3.31Å; C643-I647 WeakPolarHBondContact O-CG1 3.38Å; C643-I647 PolarHBondContact O-N 2.98Å; C643-I647 VanDerWaalsContact O-N 3.16Å; C643-F689 HydrophobicContact CB-CD2 3.9Å; C643-F689 HydrophobicContact CB-CE2 3.87Å |
| 644 | H | 95 | Very high | 91.3 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.1 | -53.3 | 174.3 | 166 | 60 | 0 | 0 | 0 | 111.5 | A640 I641 F642 F646 I647 E648 F689 S692 T693 | A640-H644 PolarHBondContact O-N 3.06Å; I641-H644 PolarHBondContact O-N 2.88Å; F642-H644 VanDerWaalsContact C-N 3.32Å; F642-H644 PolarHBondContact O-N 3.34Å; H644-F646 VanDerWaalsContact C-N 3.28Å; H644-F646 PolarHBondContact O-N 3.33Å; H644-I647 PolarHBondContact O-N 3.18Å; H644-E648 PolarHBondContact O-N 3.5Å; H644-F689 HydrophobicContact CB-CD2 3.91Å; H644-F689 HydrophobicContact CB-CE2 4.15Å; H644-S692 VanDerWaalsContact CD2-CB 3.48Å; H644-S692 WeakPolarHBondContact CD2-CB 3.4Å; H644-S692 PolarHBondContact CE1-O 3.19Å; H644-S692 PolarHBondContact NE2-O 3.16Å; H644-T693 WeakPolarHBondContact ND1-CA 3.35Å; H644-T693 PolarHBondContact ND1-N 2.97Å; H644-T693 PolarHBondContact ND1-OG1 3.17Å |
| 645 | K | 95.5 | Very high | 90.6 | Very high | 51 Ų | 51 | 23.5 Ų | 23.5 | 22% | 0.222 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.6 | -35.2 | -178.2 | -72.1 | -73.1 | 163.4 | -161.8 | 0 | 112.5 | T555 I558 I641 F642 E648 V649 | T555-K645 HydrophobicContact CG2-CG 4.41Å; I558-K645 HydrophobicContact CD1-CB 3.77Å; I641-K645 HydrophobicContact CG2-CG 4.1Å; I641-K645 WeakPolarHBondContact O-CB 3.25Å; I641-K645 WeakPolarHBondContact O-CG 3.37Å; I641-K645 PolarHBondContact O-N 3.12Å; F642-K645 PolarHBondContact O-N 3.49Å; K645-E648 WeakPolarHBondContact CD-OE2 3.3Å; K645-E648 IonicContact NZ-OE2 3.7Å; K645-E648 PolarHBondContact NZ-OE2 3Å; K645-E648 PolarHBondContact O-N 3.29Å; K645-V649 WeakPolarHBondContact O-CG2 3.2Å; K645-V649 PolarHBondContact O-N 2.63Å |
| 646 | F | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.5 | -46.2 | 178.3 | -172.5 | -95.1 | 0 | 0 | 0 | 110.6 | F546 F550 L553 I558 L609 F624 F642 C643 H644 E648 V649 L650 | F546-F646 HydrophobicContact CE2-CE1 4.17Å; F546-F646 HydrophobicContact CE2-CZ 4.03Å; F546-F646 AromaticContact CZ-CE1 3.86Å; F546-F646 HydrophobicContact CZ-CE1 3.86Å; F546-F646 HydrophobicContact CZ-CZ 4.16Å; F550-F646 HydrophobicContact CB-CZ 4.39Å; F550-F646 AromaticContact CD2-CD1 3.65Å; F550-F646 HydrophobicContact CD2-CD1 3.65Å; F550-F646 HydrophobicContact CD2-CD2 4.43Å; F550-F646 AromaticContact CD2-CE1 3.6Å; F550-F646 HydrophobicContact CD2-CE1 3.6Å; F550-F646 HydrophobicContact CD2-CE2 4.43Å; F550-F646 HydrophobicContact CD2-CG 4.06Å; F550-F646 HydrophobicContact CD2-CZ 4.02Å; F550-F646 AromaticContact CE2-CD1 3.94Å; F550-F646 HydrophobicContact CE2-CD1 3.94Å; F550-F646 HydrophobicContact CE2-CE1 4.32Å; F550-F646 HydrophobicContact CE2-CG 4.28Å; L553-F646 HydrophobicContact CD1-CE2 4Å; I558-F646 HydrophobicContact CD1-CB 3.94Å; I558-F646 HydrophobicContact CD1-CD2 4.34Å; I558-F646 HydrophobicContact CG2-CD2 4.47Å; L609-F646 HydrophobicContact CD1-CE2 4.44Å; F624-F646 HydrophobicContact CZ-CD1 4.2Å; F624-F646 HydrophobicContact CZ-CE1 4.08Å; F642-F646 HydrophobicContact CD1-CB 4.46Å; F642-F646 HydrophobicContact CE1-CB 3.98Å; F642-F646 HydrophobicContact CE1-CD2 4.21Å; F642-F646 HydrophobicContact CE1-CG 4.17Å; F642-F646 HydrophobicContact CE2-CD2 4.22Å; F642-F646 HydrophobicContact CZ-CB 4.03Å; F642-F646 AromaticContact CZ-CD2 3.59Å; F642-F646 HydrophobicContact CZ-CD2 3.59Å; F642-F646 HydrophobicContact CZ-CE2 4.35Å; F642-F646 HydrophobicContact CZ-CG 4.01Å; F642-F646 VanDerWaalsContact O-CB 3.25Å; F642-F646 WeakPolarHBondContact O-CB 3.44Å; F642-F646 PolarHBondContact O-N 3.46Å; C643-F646 PolarHBondContact O-N 2.85Å; H644-F646 VanDerWaalsContact C-N 3.28Å; H644-F646 PolarHBondContact O-N 3.33Å; F646-E648 VanDerWaalsContact C-N 3.34Å; F646-E648 PolarHBondContact O-N 3.47Å; F646-V649 PolarHBondContact O-N 3Å; F646-L650 HydrophobicContact CD1-CD1 3.89Å; F646-L650 HydrophobicContact CD1-CG 4.13Å; F646-L650 HydrophobicContact CE1-CD1 3.47Å; F646-L650 VanDerWaalsContact CE1-CD1 3.47Å; F646-L650 HydrophobicContact CE1-CD2 4.23Å; F646-L650 HydrophobicContact CE1-CG 3.87Å; F646-L650 HydrophobicContact CZ-CD1 4.26Å; F646-L650 HydrophobicContact CZ-CD2 4.24Å; F646-L650 HydrophobicContact CZ-CG 4.36Å; F646-L650 WeakPolarHBondContact O-CG 3.48Å; F646-L650 PolarHBondContact O-N 3.18Å |
| 647 | I | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 175.6 | -62.1 | 156.3 | 0 | 0 | 0 | 110.9 | C643 H644 V649 L650 H651 F658 F663 Y664 F689 | C643-I647 VanDerWaalsContact O-CD1 3.31Å; C643-I647 WeakPolarHBondContact O-CD1 3.36Å; C643-I647 VanDerWaalsContact O-CG1 3.31Å; C643-I647 WeakPolarHBondContact O-CG1 3.38Å; C643-I647 PolarHBondContact O-N 2.98Å; C643-I647 VanDerWaalsContact O-N 3.16Å; H644-I647 PolarHBondContact O-N 3.18Å; I647-V649 VanDerWaalsContact C-N 3.34Å; I647-V649 PolarHBondContact O-N 3.35Å; I647-L650 PolarHBondContact O-N 2.89Å; I647-H651 WeakPolarHBondContact O-CB 3.42Å; I647-H651 PolarHBondContact O-N 3.33Å; I647-F658 HydrophobicContact CG2-CD1 4.48Å; I647-F658 HydrophobicContact CG2-CE1 3.74Å; I647-F658 HydrophobicContact CG2-CZ 4.41Å; I647-F663 HydrophobicContact CD1-CE1 3.53Å; I647-F663 HydrophobicContact CD1-CZ 3.52Å; I647-F663 HydrophobicContact CG1-CE1 4.17Å; I647-F663 HydrophobicContact CG1-CZ 4.14Å; I647-F663 HydrophobicContact CG2-CD1 4.33Å; I647-F663 HydrophobicContact CG2-CE1 4.2Å; I647-Y664 HydrophobicContact CG2-CE1 4.37Å; I647-Y664 HydrophobicContact CG2-CE2 4.29Å; I647-Y664 WeakPolarHBondContact CG2-OH 3.19Å; I647-F689 HydrophobicContact CD1-CE2 3.94Å; I647-F689 HydrophobicContact CD1-CZ 3.97Å |
| 648 | E | 92.7 | Very high | 88.8 | Confident | 25 Ų | 25 | 27.8 Ų | 27.8 | 12% | 0.117 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 172.8 | -177.2 | 175.4 | -134.2 | 0 | 0 | 110.9 | H644 K645 F646 H651 F652 M696 R699 | H644-E648 PolarHBondContact O-N 3.5Å; K645-E648 WeakPolarHBondContact CD-OE2 3.3Å; K645-E648 IonicContact NZ-OE2 3.7Å; K645-E648 PolarHBondContact NZ-OE2 3Å; K645-E648 PolarHBondContact O-N 3.29Å; F646-E648 VanDerWaalsContact C-N 3.34Å; F646-E648 PolarHBondContact O-N 3.47Å; E648-H651 WeakPolarHBondContact O-CB 3.49Å; E648-H651 PolarHBondContact O-N 3.31Å; E648-F652 HydrophobicContact CG-CD2 3.98Å; E648-F652 HydrophobicContact CG-CE2 3.79Å; E648-F652 WeakPolarHBondContact O-CD2 3.16Å; E648-F652 PolarHBondContact O-N 2.97Å; E648-M696 HydrophobicContact CB-SD 3.69Å; E648-M696 HydrophobicContact CG-SD 3.56Å; E648-M696 VanDerWaalsContact CG-SD 3.56Å; E648-R699 IonicContact OE1-NH2 2.77Å; E648-R699 PolarHBondContact OE1-NH2 2.87Å |
| 649 | V | 92 | Very high | 88.4 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | I558 K606 L609 K645 F646 I647 H651 F652 I653 | I558-V649 HydrophobicContact CB-CG2 4.21Å; K606-V649 HydrophobicContact CD-CG1 4.45Å; K606-V649 HydrophobicContact CG-CG1 4Å; L609-V649 HydrophobicContact CD1-CG1 4.14Å; K645-V649 WeakPolarHBondContact O-CG2 3.2Å; K645-V649 PolarHBondContact O-N 2.63Å; F646-V649 PolarHBondContact O-N 3Å; I647-V649 VanDerWaalsContact C-N 3.34Å; I647-V649 PolarHBondContact O-N 3.35Å; V649-H651 VanDerWaalsContact C-N 3.26Å; V649-H651 PolarHBondContact O-N 3.04Å; V649-F652 PolarHBondContact O-N 3.36Å; V649-F652 VanDerWaalsContact O-N 3.15Å; V649-I653 HydrophobicContact CG1-CD1 3.61Å; V649-I653 HydrophobicContact CG1-CG1 4.24Å; V649-I653 WeakPolarHBondContact O-CG1 3.44Å; V649-I653 PolarHBondContact O-N 3.28Å; V649-I653 VanDerWaalsContact O-N 3.09Å |
| 650 | L | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -36.4 | 178.6 | -68 | -173 | 0 | 0 | 0 | 112.5 | F546 L609 F646 I647 F652 I653 F656 F658 | F546-L650 HydrophobicContact CE2-CD1 4.33Å; F546-L650 HydrophobicContact CZ-CD1 4.06Å; L609-L650 HydrophobicContact CD1-CD2 4.49Å; L609-L650 HydrophobicContact CD2-CD2 4.44Å; F646-L650 HydrophobicContact CD1-CD1 3.89Å; F646-L650 HydrophobicContact CD1-CG 4.13Å; F646-L650 HydrophobicContact CE1-CD1 3.47Å; F646-L650 VanDerWaalsContact CE1-CD1 3.47Å; F646-L650 HydrophobicContact CE1-CD2 4.23Å; F646-L650 HydrophobicContact CE1-CG 3.87Å; F646-L650 HydrophobicContact CZ-CD1 4.26Å; F646-L650 HydrophobicContact CZ-CD2 4.24Å; F646-L650 HydrophobicContact CZ-CG 4.36Å; F646-L650 WeakPolarHBondContact O-CG 3.48Å; F646-L650 PolarHBondContact O-N 3.18Å; I647-L650 PolarHBondContact O-N 2.89Å; L650-F652 VanDerWaalsContact C-N 3.33Å; L650-F652 PolarHBondContact O-N 3.35Å; L650-I653 PolarHBondContact O-N 3.24Å; L650-F656 HydrophobicContact CB-CD1 4.27Å; L650-F656 HydrophobicContact CB-CE1 4.22Å; L650-F656 HydrophobicContact CD1-CE1 3.77Å; L650-F656 HydrophobicContact CD1-CZ 4.15Å; L650-F656 HydrophobicContact CD2-CD1 3.88Å; L650-F656 HydrophobicContact CD2-CD2 4.41Å; L650-F656 HydrophobicContact CD2-CE1 3.61Å; L650-F656 HydrophobicContact CD2-CE2 4.19Å; L650-F656 HydrophobicContact CD2-CG 4.25Å; L650-F656 HydrophobicContact CD2-CZ 3.77Å; L650-F656 HydrophobicContact CG-CD1 4.46Å; L650-F656 HydrophobicContact CG-CE1 4.07Å; L650-F658 HydrophobicContact CB-CB 3.96Å; L650-F658 HydrophobicContact CB-CD1 4.21Å; L650-F658 HydrophobicContact CB-CD2 4.35Å; L650-F658 HydrophobicContact CB-CG 3.93Å; L650-F658 HydrophobicContact CD1-CD2 3.93Å; L650-F658 HydrophobicContact CD1-CE2 4.05Å; L650-F658 HydrophobicContact CD1-CG 4.34Å |
| 651 | H | 86.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 174.9 | 177.1 | 73.9 | 0 | 0 | 0 | 112.3 | I647 E648 V649 T660 W700 V710 C715 F716 | I647-H651 WeakPolarHBondContact O-CB 3.42Å; I647-H651 PolarHBondContact O-N 3.33Å; E648-H651 WeakPolarHBondContact O-CB 3.49Å; E648-H651 PolarHBondContact O-N 3.31Å; V649-H651 VanDerWaalsContact C-N 3.26Å; V649-H651 PolarHBondContact O-N 3.04Å; H651-T660 HydrophobicContact CB-CG2 4.36Å; H651-T660 WeakPolarHBondContact ND1-CB 3.49Å; H651-T660 PolarHBondContact ND1-OG1 3.28Å; H651-W700 AromaticContact CD2-CH2 3.68Å; H651-W700 AromaticContact CD2-CZ2 3.74Å; H651-W700 AromaticContact CE1-CH2 3.84Å; H651-W700 AromaticContact NE2-CH2 3.55Å; H651-W700 AromaticContact NE2-CZ2 3.69Å; H651-V710 VanDerWaalsContact NE2-CG1 3.27Å; H651-V710 WeakPolarHBondContact NE2-CG1 3.5Å; H651-C715 PolarHBondContact O-SG 3.06Å; H651-F716 AromaticContact CE1-CE2 3.31Å; H651-F716 WeakPolarHBondContact CE1-CE2 3.46Å; H651-F716 AromaticContact CE1-CZ 3.57Å; H651-F716 AromaticContact NE2-CE2 3.62Å; H651-F716 AromaticContact NE2-CZ 3.76Å |
| 652 | F | 86.6 | Confident | 87.5 | Confident | 110 Ų | 110 | 28.3 Ų | 28.3 | 48% | 0.482 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -84.8 | -11.8 | -176.2 | -73.4 | -65 | 0 | 0 | 0 | 114.6 | E648 V649 L650 K654 W700 V710 | E648-F652 HydrophobicContact CG-CD2 3.98Å; E648-F652 HydrophobicContact CG-CE2 3.79Å; E648-F652 WeakPolarHBondContact O-CD2 3.16Å; E648-F652 PolarHBondContact O-N 2.97Å; V649-F652 PolarHBondContact O-N 3.36Å; V649-F652 VanDerWaalsContact O-N 3.15Å; L650-F652 VanDerWaalsContact C-N 3.33Å; L650-F652 PolarHBondContact O-N 3.35Å; F652-K654 PolarHBondContact O-N 3.36Å; F652-W700 HydrophobicContact CZ-CZ2 4.27Å; F652-V710 HydrophobicContact CE1-CG1 3.9Å; F652-V710 HydrophobicContact CZ-CG1 4.2Å |
| 653 | I | 85.3 | Confident | 87.2 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | trans | -83.2 | 96.3 | 171.9 | -63.5 | 170.7 | 0 | 0 | 0 | 108.7 | K606 L609 A610 V649 L650 E655 F656 | K606-I653 HydrophobicContact CB-CD1 4.41Å; L609-I653 HydrophobicContact CB-CD1 3.55Å; L609-I653 HydrophobicContact CD1-CD1 4.04Å; L609-I653 HydrophobicContact CG-CD1 4.46Å; A610-I653 HydrophobicContact CB-CG2 3.65Å; V649-I653 HydrophobicContact CG1-CD1 3.61Å; V649-I653 HydrophobicContact CG1-CG1 4.24Å; V649-I653 WeakPolarHBondContact O-CG1 3.44Å; V649-I653 PolarHBondContact O-N 3.28Å; V649-I653 VanDerWaalsContact O-N 3.09Å; L650-I653 PolarHBondContact O-N 3.24Å; I653-E655 VanDerWaalsContact C-N 3.26Å; I653-E655 PolarHBondContact O-N 2.98Å; I653-F656 HydrophobicContact CB-CB 4.08Å; I653-F656 HydrophobicContact CG2-CB 3.68Å; I653-F656 WeakPolarHBondContact O-CB 3.15Å; I653-F656 PolarHBondContact O-N 3.18Å; I653-F656 VanDerWaalsContact O-N 3.12Å | ||
| 654 | K | 76.7 | Confident | 87 | Confident | 105 Ų | 105 | 28.2 Ų | 28.2 | 46% | 0.457 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -37.4 | -175.1 | -64.4 | -169.5 | -179.4 | -161.8 | 0 | 112.9 | F652 F656 N657 Q712 A713 | F652-K654 PolarHBondContact O-N 3.36Å; K654-F656 PolarHBondContact O-N 3.31Å; K654-N657 PolarHBondContact O-N 3.42Å; K654-Q712 PolarHBondContact NZ-O 3.08Å; K654-A713 HydrophobicContact CG-CB 4.2Å |
| 655 | E | 76.3 | Confident | 86.7 | Confident | 114 Ų | 114 | 29.9 Ų | 29.9 | 53% | 0.533 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.1 | -177.9 | -62.3 | 75.5 | -166.9 | 0 | 0 | 113 | A610 I653 | A610-E655 HydrophobicContact CB-CB 4.15Å; A610-E655 HydrophobicContact CB-CG 4.43Å; A610-E655 WeakPolarHBondContact O-CB 3.4Å; I653-E655 VanDerWaalsContact C-N 3.26Å; I653-E655 PolarHBondContact O-N 2.98Å |
| 656 | F | 75.7 | Confident | 86.5 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 4% | 0.044 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -26.1 | -178.5 | -171.5 | -92.8 | 0 | 0 | 0 | 112.2 | F546 L609 D612 L615 L650 I653 K654 F658 | F546-F656 HydrophobicContact CD2-CE2 4.33Å; F546-F656 HydrophobicContact CD2-CZ 4.14Å; F546-F656 HydrophobicContact CE2-CE2 4.07Å; F546-F656 AromaticContact CE2-CZ 3.54Å; F546-F656 HydrophobicContact CE2-CZ 3.54Å; F546-F656 HydrophobicContact CZ-CZ 4.19Å; L609-F656 WeakPolarHBondContact O-CD2 3.27Å; D612-F656 WeakPolarHBondContact O-CD2 3.42Å; L615-F656 HydrophobicContact CD1-CD1 3.98Å; L615-F656 HydrophobicContact CD1-CE1 3.17Å; L615-F656 HydrophobicContact CD1-CE2 3.96Å; L615-F656 HydrophobicContact CD1-CZ 3.18Å; L615-F656 HydrophobicContact CG-CE1 4.43Å; L615-F656 HydrophobicContact CG-CZ 4.03Å; L650-F656 HydrophobicContact CB-CD1 4.27Å; L650-F656 HydrophobicContact CB-CE1 4.22Å; L650-F656 HydrophobicContact CD1-CE1 3.77Å; L650-F656 HydrophobicContact CD1-CZ 4.15Å; L650-F656 HydrophobicContact CD2-CD1 3.88Å; L650-F656 HydrophobicContact CD2-CD2 4.41Å; L650-F656 HydrophobicContact CD2-CE1 3.61Å; L650-F656 HydrophobicContact CD2-CE2 4.19Å; L650-F656 HydrophobicContact CD2-CG 4.25Å; L650-F656 HydrophobicContact CD2-CZ 3.77Å; L650-F656 HydrophobicContact CG-CD1 4.46Å; L650-F656 HydrophobicContact CG-CE1 4.07Å; I653-F656 HydrophobicContact CB-CB 4.08Å; I653-F656 HydrophobicContact CG2-CB 3.68Å; I653-F656 WeakPolarHBondContact O-CB 3.15Å; I653-F656 PolarHBondContact O-N 3.18Å; I653-F656 VanDerWaalsContact O-N 3.12Å; K654-F656 PolarHBondContact O-N 3.31Å; F656-F658 HydrophobicContact CD1-CB 3.84Å; F656-F658 HydrophobicContact CE1-CB 4.08Å; F656-F658 AromaticContact CE1-CD2 3.96Å; F656-F658 HydrophobicContact CE1-CD2 3.96Å; F656-F658 HydrophobicContact CE1-CG 4.43Å; F656-F658 PolarHBondContact O-N 3.41Å |
| 657 | N | 77.8 | Confident | 86.3 | Confident | 89 Ų | 89 | 31.2 Ų | 31.2 | 48% | 0.476 | 16% | 0.155 | S | C | . | . | trans | 54.7 | 47.7 | 174.3 | -164.2 | 37.8 | 0 | 0 | 0 | 114 | K654 P714 | K654-N657 PolarHBondContact O-N 3.42Å; N657-P714 WeakPolarHBondContact OD1-CB 3.45Å; N657-P714 PolarHBondContact OD1-O 3.01Å | ||
| 658 | F | 83.9 | Confident | 86 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -67.1 | 129 | -179.3 | -173.6 | -113.4 | 0 | 0 | 0 | 111.3 | F620 F624 I647 L650 F656 T660 F663 C715 | F620-F658 HydrophobicContact CE1-CD2 4.13Å; F620-F658 AromaticContact CE1-CE2 3.81Å; F620-F658 HydrophobicContact CE1-CE2 3.81Å; F620-F658 HydrophobicContact CZ-CE2 4.18Å; F624-F658 HydrophobicContact CD1-CE2 4.25Å; F624-F658 HydrophobicContact CD1-CZ 4.4Å; F624-F658 HydrophobicContact CE1-CE2 4.12Å; F624-F658 HydrophobicContact CE1-CZ 4.12Å; I647-F658 HydrophobicContact CG2-CD1 4.48Å; I647-F658 HydrophobicContact CG2-CE1 3.74Å; I647-F658 HydrophobicContact CG2-CZ 4.41Å; L650-F658 HydrophobicContact CB-CB 3.96Å; L650-F658 HydrophobicContact CB-CD1 4.21Å; L650-F658 HydrophobicContact CB-CD2 4.35Å; L650-F658 HydrophobicContact CB-CG 3.93Å; L650-F658 HydrophobicContact CD1-CD2 3.93Å; L650-F658 HydrophobicContact CD1-CE2 4.05Å; L650-F658 HydrophobicContact CD1-CG 4.34Å; F656-F658 HydrophobicContact CD1-CB 3.84Å; F656-F658 HydrophobicContact CE1-CB 4.08Å; F656-F658 AromaticContact CE1-CD2 3.96Å; F656-F658 HydrophobicContact CE1-CD2 3.96Å; F656-F658 HydrophobicContact CE1-CG 4.43Å; F656-F658 PolarHBondContact O-N 3.41Å; F658-T660 WeakPolarHBondContact CD1-OG1 3.27Å; F658-T660 PolarHBondContact O-N 3.44Å; F658-T660 PolarHBondContact O-OG1 3.16Å; F658-F663 HydrophobicContact CE1-CB 3.93Å; F658-F663 HydrophobicContact CE1-CD1 4.18Å; F658-F663 HydrophobicContact CE1-CD2 4.37Å; F658-F663 AromaticContact CE1-CG 3.89Å; F658-F663 HydrophobicContact CE1-CG 3.89Å; F658-F663 HydrophobicContact CE2-CD2 4.49Å; F658-F663 HydrophobicContact CZ-CB 3.84Å; F658-F663 HydrophobicContact CZ-CD1 4.19Å; F658-F663 AromaticContact CZ-CD2 3.61Å; F658-F663 HydrophobicContact CZ-CD2 3.61Å; F658-F663 HydrophobicContact CZ-CE2 4.22Å; F658-F663 AromaticContact CZ-CG 3.59Å; F658-F663 HydrophobicContact CZ-CG 3.59Å; F658-C715 WeakPolarHBondContact O-CB 3.18Å | ||
| 659 | P | 82.8 | Confident | 85.7 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | trans | -77.5 | 66.6 | 180 | 33.5 | -37.5 | 0 | 0 | 0 | 111.3 | I621 M661 A662 F663 | I621-P659 HydrophobicContact CD1-CB 4.24Å; I621-P659 HydrophobicContact CD1-CG 3.71Å; I621-P659 HydrophobicContact CG1-CG 4.03Å; P659-M661 VanDerWaalsContact C-N 3.32Å; P659-M661 PolarHBondContact O-N 2.95Å; P659-A662 HydrophobicContact CB-CB 4.29Å; P659-A662 PolarHBondContact O-N 3.02Å; P659-F663 WeakPolarHBondContact O-CB 3.39Å; P659-F663 PolarHBondContact O-N 3.35Å | ||
| 660 | T | 87.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.5 | -43.3 | -170 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | H651 F658 F663 Y664 | H651-T660 HydrophobicContact CB-CG2 4.36Å; H651-T660 WeakPolarHBondContact ND1-CB 3.49Å; H651-T660 PolarHBondContact ND1-OG1 3.28Å; F658-T660 WeakPolarHBondContact CD1-OG1 3.27Å; F658-T660 PolarHBondContact O-N 3.44Å; F658-T660 PolarHBondContact O-OG1 3.16Å; T660-F663 PolarHBondContact O-N 3.21Å; T660-Y664 HydrophobicContact CG2-CD2 3.72Å; T660-Y664 HydrophobicContact CG2-CE2 3.45Å; T660-Y664 VanDerWaalsContact CG2-CE2 3.45Å; T660-Y664 WeakPolarHBondContact O-CD2 2.99Å; T660-Y664 PolarHBondContact O-N 3.32Å |
| 661 | M | 87.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.1 | -43 | -177 | -61.8 | -58 | 174.8 | 0 | 0 | 112.3 | P659 F663 Y664 D665 W700 F716 I718 L726 Y731 L734 W738 | P659-M661 VanDerWaalsContact C-N 3.32Å; P659-M661 PolarHBondContact O-N 2.95Å; M661-F663 VanDerWaalsContact C-N 3.29Å; M661-F663 PolarHBondContact O-N 3.07Å; M661-Y664 PolarHBondContact O-N 3.31Å; M661-D665 WeakPolarHBondContact O-CB 3.42Å; M661-D665 PolarHBondContact O-N 3.17Å; M661-W700 HydrophobicContact CE-CE3 4.18Å; M661-W700 HydrophobicContact CE-CZ3 4Å; M661-F716 HydrophobicContact CE-CD1 3.22Å; M661-F716 HydrophobicContact CE-CE1 3.08Å; M661-F716 HydrophobicContact CE-CG 4.31Å; M661-F716 HydrophobicContact CE-CZ 4.08Å; M661-F716 HydrophobicContact CG-CD1 4.28Å; M661-I718 HydrophobicContact CB-CG1 3.64Å; M661-I718 HydrophobicContact CG-CG1 4.47Å; M661-L726 HydrophobicContact CG-CD2 4.3Å; M661-Y731 HydrophobicContact CE-CD2 3.75Å; M661-Y731 HydrophobicContact CE-CE2 3.51Å; M661-Y731 HydrophobicContact SD-CD2 4.24Å; M661-Y731 HydrophobicContact SD-CE2 4.07Å; M661-L734 HydrophobicContact SD-CD2 4.39Å; M661-W738 HydrophobicContact SD-CH2 3.7Å; M661-W738 HydrophobicContact SD-CZ3 4.41Å |
| 662 | A | 84.8 | Confident | 84.5 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 15% | 0.149 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -36.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I621 P659 D665 M666 | I621-A662 HydrophobicContact CD1-CB 3.82Å; P659-A662 HydrophobicContact CB-CB 4.29Å; P659-A662 PolarHBondContact O-N 3.02Å; A662-D665 PolarHBondContact O-N 3.02Å; A662-M666 WeakPolarHBondContact O-CB 3.42Å; A662-M666 PolarHBondContact O-N 3.42Å |
| 663 | F | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -51.2 | 174.4 | 169.8 | -88.4 | 0 | 0 | 0 | 111.7 | I621 F624 I625 V629 I647 F658 P659 T660 M661 M666 L667 | I621-F663 HydrophobicContact CG2-CB 4.25Å; I621-F663 HydrophobicContact CG2-CD2 4.08Å; F624-F663 HydrophobicContact CD1-CD2 4.16Å; F624-F663 AromaticContact CD1-CE2 3.74Å; F624-F663 HydrophobicContact CD1-CE2 3.74Å; F624-F663 AromaticContact CE1-CE2 3.93Å; F624-F663 HydrophobicContact CE1-CE2 3.93Å; I625-F663 HydrophobicContact CD1-CD2 4.02Å; I625-F663 HydrophobicContact CD1-CE2 3.97Å; I625-F663 HydrophobicContact CG1-CD2 3.83Å; I625-F663 HydrophobicContact CG1-CE2 3.35Å; I625-F663 HydrophobicContact CG1-CZ 4.04Å; V629-F663 HydrophobicContact CG1-CZ 4.46Å; V629-F663 HydrophobicContact CG2-CE2 4.17Å; V629-F663 HydrophobicContact CG2-CZ 4.07Å; I647-F663 HydrophobicContact CD1-CE1 3.53Å; I647-F663 HydrophobicContact CD1-CZ 3.52Å; I647-F663 HydrophobicContact CG1-CE1 4.17Å; I647-F663 HydrophobicContact CG1-CZ 4.14Å; I647-F663 HydrophobicContact CG2-CD1 4.33Å; I647-F663 HydrophobicContact CG2-CE1 4.2Å; F658-F663 HydrophobicContact CE1-CB 3.93Å; F658-F663 HydrophobicContact CE1-CD1 4.18Å; F658-F663 HydrophobicContact CE1-CD2 4.37Å; F658-F663 AromaticContact CE1-CG 3.89Å; F658-F663 HydrophobicContact CE1-CG 3.89Å; F658-F663 HydrophobicContact CE2-CD2 4.49Å; F658-F663 HydrophobicContact CZ-CB 3.84Å; F658-F663 HydrophobicContact CZ-CD1 4.19Å; F658-F663 AromaticContact CZ-CD2 3.61Å; F658-F663 HydrophobicContact CZ-CD2 3.61Å; F658-F663 HydrophobicContact CZ-CE2 4.22Å; F658-F663 AromaticContact CZ-CG 3.59Å; F658-F663 HydrophobicContact CZ-CG 3.59Å; P659-F663 WeakPolarHBondContact O-CB 3.39Å; P659-F663 PolarHBondContact O-N 3.35Å; T660-F663 PolarHBondContact O-N 3.21Å; M661-F663 VanDerWaalsContact C-N 3.29Å; M661-F663 PolarHBondContact O-N 3.07Å; F663-M666 PolarHBondContact O-N 3.07Å; F663-L667 HydrophobicContact CE1-CD2 3.98Å; F663-L667 HydrophobicContact CZ-CD1 4.48Å; F663-L667 HydrophobicContact CZ-CD2 4.37Å; F663-L667 WeakPolarHBondContact O-CB 3.38Å; F663-L667 PolarHBondContact O-N 3.41Å |
| 664 | Y | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.5 | -34.4 | 179.5 | -73.7 | -50.7 | 0 | 0 | 0 | 112.8 | I647 T660 M661 M666 L667 F668 T693 M696 L697 W738 | I647-Y664 HydrophobicContact CG2-CE1 4.37Å; I647-Y664 HydrophobicContact CG2-CE2 4.29Å; I647-Y664 WeakPolarHBondContact CG2-OH 3.19Å; T660-Y664 HydrophobicContact CG2-CD2 3.72Å; T660-Y664 HydrophobicContact CG2-CE2 3.45Å; T660-Y664 VanDerWaalsContact CG2-CE2 3.45Å; T660-Y664 WeakPolarHBondContact O-CD2 2.99Å; T660-Y664 PolarHBondContact O-N 3.32Å; M661-Y664 PolarHBondContact O-N 3.31Å; Y664-M666 VanDerWaalsContact C-N 3.28Å; Y664-M666 PolarHBondContact O-N 3.4Å; Y664-L667 HydrophobicContact CD1-CD2 3.85Å; Y664-L667 HydrophobicContact CE1-CD2 4.17Å; Y664-L667 PolarHBondContact O-N 3Å; Y664-F668 AromaticContact CD1-CE2 3.83Å; Y664-F668 HydrophobicContact CD1-CE2 3.83Å; Y664-F668 AromaticContact CD1-CZ 3.89Å; Y664-F668 HydrophobicContact CD1-CZ 3.89Å; Y664-F668 HydrophobicContact CG-CE2 4.04Å; Y664-F668 WeakPolarHBondContact O-CB 3.47Å; Y664-F668 WeakPolarHBondContact O-CD2 3.48Å; Y664-F668 WeakPolarHBondContact O-CG 3.42Å; Y664-F668 PolarHBondContact O-N 3.23Å; Y664-T693 HydrophobicContact CD1-CG2 4.01Å; Y664-T693 HydrophobicContact CE1-CG2 3.3Å; Y664-M696 HydrophobicContact CE2-CE 3.95Å; Y664-M696 VanDerWaalsContact OH-CE 3.28Å; Y664-M696 WeakPolarHBondContact OH-CE 3.14Å; Y664-L697 HydrophobicContact CD2-CD1 4.44Å; Y664-L697 HydrophobicContact CD2-CD2 3.97Å; Y664-L697 HydrophobicContact CE2-CD2 3.93Å; Y664-W738 HydrophobicContact CG-CH2 4.47Å |
| 665 | D | 90.2 | Very high | 84.1 | Confident | 38 Ų | 38 | 36.2 Ų | 36.2 | 20% | 0.203 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 174.9 | -166.7 | 59 | 0 | 0 | 0 | 112 | M661 A662 Y669 W738 R741 | M661-D665 WeakPolarHBondContact O-CB 3.42Å; M661-D665 PolarHBondContact O-N 3.17Å; A662-D665 PolarHBondContact O-N 3.02Å; D665-Y669 PolarHBondContact O-N 3.15Å; D665-W738 HydrophobicContact CB-CZ2 4.03Å; D665-W738 PolarHBondContact OD1-NE1 3.34Å; D665-R741 PolarHBondContact O-NH1 3.27Å; D665-R741 IonicContact OD1-CZ 3.25Å; D665-R741 IonicContact OD1-NH1 2.81Å; D665-R741 PolarHBondContact OD1-NH1 3.01Å; D665-R741 IonicContact OD1-NH2 2.66Å; D665-R741 PolarHBondContact OD1-NH2 3.28Å; D665-R741 IonicContact OD2-NH1 2.89Å |
| 666 | M | 90.4 | Very high | 84.1 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 39% | 0.394 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.4 | -43.3 | 173.8 | -170.8 | 166.9 | -168.1 | 0 | 0 | 112.3 | I621 S622 I625 A662 F663 Y664 F668 Y669 | I621-M666 HydrophobicContact CB-SD 4.22Å; I621-M666 HydrophobicContact CG2-CB 4.06Å; I621-M666 HydrophobicContact CG2-CG 4.35Å; I621-M666 HydrophobicContact CG2-SD 3.66Å; S622-M666 VanDerWaalsContact OG-CE 3.28Å; S622-M666 WeakPolarHBondContact OG-CE 3.43Å; I625-M666 HydrophobicContact CD1-CB 3.98Å; I625-M666 HydrophobicContact CD1-CG 3.93Å; I625-M666 HydrophobicContact CD1-SD 4.35Å; A662-M666 WeakPolarHBondContact O-CB 3.42Å; A662-M666 PolarHBondContact O-N 3.42Å; F663-M666 PolarHBondContact O-N 3.07Å; Y664-M666 VanDerWaalsContact C-N 3.28Å; Y664-M666 PolarHBondContact O-N 3.4Å; M666-F668 VanDerWaalsContact C-N 3.29Å; M666-F668 PolarHBondContact O-N 3.43Å; M666-Y669 WeakPolarHBondContact O-CB 3.5Å; M666-Y669 PolarHBondContact O-N 3.2Å |
| 667 | L | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -37 | 179.9 | -174.4 | 75.1 | 0 | 0 | 0 | 112.5 | I625 Y630 F663 Y664 I671 F689 F690 | I625-L667 HydrophobicContact CD1-CB 4.14Å; I625-L667 HydrophobicContact CD1-CD1 4.39Å; I625-L667 HydrophobicContact CG1-CD1 4.3Å; I625-L667 HydrophobicContact CG2-CD1 4.01Å; Y630-L667 HydrophobicContact CD1-CD1 4.37Å; Y630-L667 HydrophobicContact CE1-CD1 3.49Å; Y630-L667 VanDerWaalsContact CE1-CD1 3.49Å; Y630-L667 PolarHBondContact OH-O 3.08Å; F663-L667 HydrophobicContact CE1-CD2 3.98Å; F663-L667 HydrophobicContact CZ-CD1 4.48Å; F663-L667 HydrophobicContact CZ-CD2 4.37Å; F663-L667 WeakPolarHBondContact O-CB 3.38Å; F663-L667 PolarHBondContact O-N 3.41Å; Y664-L667 HydrophobicContact CD1-CD2 3.85Å; Y664-L667 HydrophobicContact CE1-CD2 4.17Å; Y664-L667 PolarHBondContact O-N 3Å; L667-I671 WeakPolarHBondContact O-CG2 3.27Å; L667-F689 HydrophobicContact CD1-CE1 4.49Å; L667-F689 HydrophobicContact CD2-CE1 3.86Å; L667-F689 HydrophobicContact CD2-CZ 3.95Å; L667-F690 HydrophobicContact CD2-CE2 4.5Å |
| 668 | F | 88.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 13.1 | -177.2 | -55.7 | -41.6 | 0 | 0 | 0 | 113.7 | Y664 M666 F690 T693 F694 L697 W738 R741 I742 | Y664-F668 AromaticContact CD1-CE2 3.83Å; Y664-F668 HydrophobicContact CD1-CE2 3.83Å; Y664-F668 AromaticContact CD1-CZ 3.89Å; Y664-F668 HydrophobicContact CD1-CZ 3.89Å; Y664-F668 HydrophobicContact CG-CE2 4.04Å; Y664-F668 WeakPolarHBondContact O-CB 3.47Å; Y664-F668 WeakPolarHBondContact O-CD2 3.48Å; Y664-F668 WeakPolarHBondContact O-CG 3.42Å; Y664-F668 PolarHBondContact O-N 3.23Å; M666-F668 VanDerWaalsContact C-N 3.29Å; M666-F668 PolarHBondContact O-N 3.43Å; F668-F690 HydrophobicContact CD1-CD1 4.41Å; F668-F690 AromaticContact CD1-CE1 3.55Å; F668-F690 HydrophobicContact CD1-CE1 3.55Å; F668-F690 HydrophobicContact CD1-CE2 4.45Å; F668-F690 AromaticContact CD1-CZ 3.57Å; F668-F690 HydrophobicContact CD1-CZ 3.57Å; F668-F690 AromaticContact CE1-CD1 3.98Å; F668-F690 HydrophobicContact CE1-CD1 3.98Å; F668-F690 HydrophobicContact CE1-CD2 4.43Å; F668-F690 AromaticContact CE1-CE1 3.49Å; F668-F690 HydrophobicContact CE1-CE1 3.49Å; F668-F690 VanDerWaalsContact CE1-CE1 3.49Å; F668-F690 AromaticContact CE1-CE2 3.97Å; F668-F690 HydrophobicContact CE1-CE2 3.97Å; F668-F690 HydrophobicContact CE1-CG 4.42Å; F668-F690 AromaticContact CE1-CZ 3.49Å; F668-F690 HydrophobicContact CE1-CZ 3.49Å; F668-F690 VanDerWaalsContact CE1-CZ 3.49Å; F668-T693 HydrophobicContact CZ-CG2 3.93Å; F668-F694 HydrophobicContact CD2-CZ 4.43Å; F668-F694 AromaticContact CE1-CE2 3.86Å; F668-F694 HydrophobicContact CE1-CE2 3.86Å; F668-F694 HydrophobicContact CE1-CZ 4.5Å; F668-F694 HydrophobicContact CE2-CE2 4.05Å; F668-F694 HydrophobicContact CE2-CZ 4.03Å; F668-F694 HydrophobicContact CZ-CD2 4.35Å; F668-F694 AromaticContact CZ-CE2 3.59Å; F668-F694 HydrophobicContact CZ-CE2 3.59Å; F668-F694 HydrophobicContact CZ-CZ 4.06Å; F668-L697 HydrophobicContact CE2-CD1 3.94Å; F668-L697 HydrophobicContact CZ-CD1 4.37Å; F668-W738 HydrophobicContact CB-CB 4.28Å; F668-W738 HydrophobicContact CB-CG 4.34Å; F668-W738 HydrophobicContact CD2-CB 3.86Å; F668-W738 AromaticContact CD2-CD2 3.79Å; F668-W738 HydrophobicContact CD2-CD2 3.79Å; F668-W738 AromaticContact CD2-CE3 3.97Å; F668-W738 HydrophobicContact CD2-CE3 3.97Å; F668-W738 AromaticContact CD2-CG 3.77Å; F668-W738 HydrophobicContact CD2-CG 3.77Å; F668-W738 HydrophobicContact CE2-CD2 4.33Å; F668-W738 HydrophobicContact CE2-CE3 4.03Å; F668-W738 HydrophobicContact CG-CB 4.41Å; F668-R741 WeakPolarHBondContact O-CB 3.42Å; F668-R741 WeakPolarHBondContact O-CD 3.47Å; F668-I742 HydrophobicContact CB-CG1 4.49Å; F668-I742 HydrophobicContact CD1-CD1 3.89Å; F668-I742 HydrophobicContact CD1-CG1 4.43Å; F668-I742 HydrophobicContact CE1-CD1 4.28Å; F668-I742 HydrophobicContact CG-CD1 4.17Å |
| 669 | Y | 85.4 | Confident | 84.4 | Confident | 160 Ų | 160 | 35.2 Ų | 35.2 | 63% | 0.627 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -64.3 | -61 | -175.4 | -178.4 | -98.8 | 0 | 0 | 0 | 112.9 | D665 M666 | D665-Y669 PolarHBondContact O-N 3.15Å; M666-Y669 WeakPolarHBondContact O-CB 3.5Å; M666-Y669 PolarHBondContact O-N 3.2Å |
| 670 | D | 80.6 | Confident | 84.3 | Confident | 66 Ų | 66 | 38.6 Ų | 38.6 | 35% | 0.353 | 20% | 0.204 | S | C | . | . | trans | -150.2 | 111.2 | 170.5 | -173.2 | 12.9 | 0 | 0 | 0 | 110.4 | A672 S745 | D670-A672 PolarHBondContact OD1-N 2.9Å; D670-S745 PolarHBondContact OD1-OG 3.15Å | ||
| 671 | I | 83.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -103.5 | -4.7 | -175.9 | 63.8 | 172.5 | 0 | 0 | 0 | 112.8 | L667 L674 V675 F686 F690 I742 S745 M746 | L667-I671 WeakPolarHBondContact O-CG2 3.27Å; I671-L674 WeakPolarHBondContact O-CB 3.5Å; I671-L674 PolarHBondContact O-N 3.33Å; I671-V675 WeakPolarHBondContact O-CG2 3.37Å; I671-V675 PolarHBondContact O-N 2.71Å; I671-F686 HydrophobicContact CD1-CE1 4.47Å; I671-F690 HydrophobicContact CD1-CE1 3.81Å; I671-F690 HydrophobicContact CD1-CZ 4.34Å; I671-F690 HydrophobicContact CG2-CZ 4.18Å; I671-I742 HydrophobicContact CD1-CB 4.46Å; I671-I742 HydrophobicContact CD1-CG1 4.15Å; I671-I742 HydrophobicContact CD1-CG2 4.13Å; I671-S745 PolarHBondContact N-OG 3.45Å; I671-M746 HydrophobicContact CD1-CE 3.48Å; I671-M746 VanDerWaalsContact CD1-CE 3.48Å; I671-M746 HydrophobicContact CG1-CE 4.29Å | ||
| 672 | A | 79 | Confident | 84 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.9 | -45.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D670 L674 V675 L676 T748 | D670-A672 PolarHBondContact OD1-N 2.9Å; A672-L674 VanDerWaalsContact C-N 3.27Å; A672-L674 PolarHBondContact O-N 3.07Å; A672-V675 PolarHBondContact O-N 3.35Å; A672-L676 WeakPolarHBondContact O-CB 3.45Å; A672-L676 VanDerWaalsContact O-CG 3.25Å; A672-L676 WeakPolarHBondContact O-CG 3.45Å; A672-L676 PolarHBondContact O-N 2.92Å; A672-T748 HydrophobicContact CB-CG2 4.41Å |
| 673 | P | 80.6 | Confident | 83.9 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 53% | 0.532 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.3 | -34.7 | 178.5 | -23.2 | 34.8 | 0 | 0 | 0 | 113.4 | S677 | P673-S677 PolarHBondContact O-N 3.22Å; P673-S677 PolarHBondContact O-OG 3.32Å |
| 674 | L | 79.5 | Confident | 83.6 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.8 | -51.4 | 178.2 | -64.9 | 171.4 | 0 | 0 | 0 | 110.8 | Y630 I671 A672 L676 S677 F678 | Y630-L674 HydrophobicContact CD1-CD1 4.36Å; Y630-L674 HydrophobicContact CD2-CD1 4.26Å; Y630-L674 HydrophobicContact CE1-CD1 3.75Å; Y630-L674 HydrophobicContact CE2-CD1 3.61Å; Y630-L674 WeakPolarHBondContact OH-CD1 3.34Å; I671-L674 WeakPolarHBondContact O-CB 3.5Å; I671-L674 PolarHBondContact O-N 3.33Å; A672-L674 VanDerWaalsContact C-N 3.27Å; A672-L674 PolarHBondContact O-N 3.07Å; L674-L676 PolarHBondContact O-N 3.29Å; L674-S677 WeakPolarHBondContact O-CA 3.39Å; L674-S677 PolarHBondContact O-N 3.16Å; L674-S677 PolarHBondContact O-OG 2.91Å; L674-F678 HydrophobicContact CB-CE2 4.06Å; L674-F678 HydrophobicContact CB-CZ 3.9Å; L674-F678 WeakPolarHBondContact O-CD1 3.39Å; L674-F678 WeakPolarHBondContact O-CD2 3.35Å; L674-F678 VanDerWaalsContact O-CG 3.27Å; L674-F678 WeakPolarHBondContact O-CG 3.39Å; L674-F678 PolarHBondContact O-N 3.4Å; L674-F678 VanDerWaalsContact O-N 3.14Å |
| 675 | V | 79.6 | Confident | 83.4 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -36.3 | -179.5 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | I671 A672 S677 F678 F686 M746 T760 | I671-V675 WeakPolarHBondContact O-CG2 3.37Å; I671-V675 PolarHBondContact O-N 2.71Å; A672-V675 PolarHBondContact O-N 3.35Å; V675-S677 VanDerWaalsContact C-N 3.27Å; V675-S677 PolarHBondContact O-N 3.17Å; V675-F678 PolarHBondContact O-N 2.69Å; V675-F686 HydrophobicContact CG2-CD1 4.49Å; V675-F686 HydrophobicContact CG2-CE1 4.4Å; V675-M746 HydrophobicContact CG2-CE 3.88Å; V675-T760 HydrophobicContact CG1-CG2 3.77Å |
| 676 | L | 77.4 | Confident | 83.3 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 35% | 0.346 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.6 | -22.5 | 174.9 | -70.8 | 171.3 | 0 | 0 | 0 | 113.4 | A672 L674 C749 E752 S757 | A672-L676 WeakPolarHBondContact O-CB 3.45Å; A672-L676 VanDerWaalsContact O-CG 3.25Å; A672-L676 WeakPolarHBondContact O-CG 3.45Å; A672-L676 PolarHBondContact O-N 2.92Å; L674-L676 PolarHBondContact O-N 3.29Å; L676-C749 HydrophobicContact CD2-CB 4.27Å; L676-E752 HydrophobicContact CD2-CG 4.43Å; L676-S757 VanDerWaalsContact CD2-OG 3.24Å; L676-S757 WeakPolarHBondContact CD2-OG 3.49Å |
| 677 | S | 79.4 | Confident | 83 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 57% | 0.573 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -90.2 | -15.1 | 178 | 71.4 | 0 | 0 | 0 | 0 | 114.1 | P673 L674 V675 | P673-S677 PolarHBondContact O-N 3.22Å; P673-S677 PolarHBondContact O-OG 3.32Å; L674-S677 WeakPolarHBondContact O-CA 3.39Å; L674-S677 PolarHBondContact O-N 3.16Å; L674-S677 PolarHBondContact O-OG 2.91Å; V675-S677 VanDerWaalsContact C-N 3.27Å; V675-S677 PolarHBondContact O-N 3.17Å |
| 678 | F | 83.1 | Confident | 82.8 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -80.5 | 149.7 | -176.4 | -67.7 | -26.8 | 0 | 0 | 0 | 112.9 | V634 L674 V675 E682 A683 F686 | V634-F678 HydrophobicContact CG1-CE1 3.98Å; V634-F678 HydrophobicContact CG1-CE2 4.15Å; V634-F678 HydrophobicContact CG1-CZ 3.75Å; L674-F678 HydrophobicContact CB-CE2 4.06Å; L674-F678 HydrophobicContact CB-CZ 3.9Å; L674-F678 WeakPolarHBondContact O-CD1 3.39Å; L674-F678 WeakPolarHBondContact O-CD2 3.35Å; L674-F678 VanDerWaalsContact O-CG 3.27Å; L674-F678 WeakPolarHBondContact O-CG 3.39Å; L674-F678 PolarHBondContact O-N 3.4Å; L674-F678 VanDerWaalsContact O-N 3.14Å; V675-F678 PolarHBondContact O-N 2.69Å; F678-E682 HydrophobicContact CB-CB 3.83Å; F678-E682 HydrophobicContact CD1-CB 4.18Å; F678-E682 HydrophobicContact CG-CB 4.04Å; F678-A683 HydrophobicContact CB-CB 4.15Å; F678-F686 HydrophobicContact CD2-CB 4.38Å; F678-F686 HydrophobicContact CD2-CG 4.48Å; F678-F686 HydrophobicContact CE2-CB 4Å; F678-F686 AromaticContact CE2-CD1 3.92Å; F678-F686 HydrophobicContact CE2-CD1 3.92Å; F678-F686 HydrophobicContact CE2-CD2 4.05Å; F678-F686 HydrophobicContact CE2-CE1 4.37Å; F678-F686 AromaticContact CE2-CG 3.73Å; F678-F686 HydrophobicContact CE2-CG 3.73Å; F678-F686 HydrophobicContact CZ-CD2 4.43Å |
| 679 | T | 81.4 | Confident | 82.9 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -69.5 | 171.7 | 160.7 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | Y457 D458 F681 E682 A683 | Y457-T679 HydrophobicContact CD1-CG2 3.66Å; Y457-T679 HydrophobicContact CE1-CG2 4.14Å; Y457-T679 HydrophobicContact CG-CG2 4.33Å; D458-T679 VanDerWaalsContact CG-OG1 3.28Å; D458-T679 WeakPolarHBondContact OD1-CB 3.46Å; D458-T679 PolarHBondContact OD1-OG1 3.45Å; D458-T679 WeakPolarHBondContact OD2-CB 3.45Å; D458-T679 PolarHBondContact OD2-OG1 3.32Å; T679-F681 VanDerWaalsContact C-N 3.29Å; T679-F681 PolarHBondContact O-N 2.9Å; T679-E682 PolarHBondContact N-OE2 3.13Å; T679-E682 VanDerWaalsContact N-OE2 3.1Å; T679-E682 PolarHBondContact O-N 3.12Å; T679-E682 WeakPolarHBondContact OG1-CB 3.45Å; T679-E682 VanDerWaalsContact OG1-CG 3.31Å; T679-E682 WeakPolarHBondContact OG1-CG 3.3Å; T679-E682 PolarHBondContact OG1-N 3.03Å; T679-A683 VanDerWaalsContact O-CB 3.31Å; T679-A683 WeakPolarHBondContact O-CB 3.19Å; T679-A683 PolarHBondContact O-N 2.85Å | ||
| 680 | E | 79.1 | Confident | 83.1 | Confident | 113 Ų | 113 | 36.9 Ų | 36.9 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60 | -40.6 | 178.2 | -172.8 | 178.4 | 165.5 | 0 | 0 | 111.3 | N684 | E680-N684 WeakPolarHBondContact O-CB 3.43Å; E680-N684 PolarHBondContact O-N 3.04Å |
| 681 | F | 83.9 | Confident | 83.4 | Confident | 55 Ų | 55 | 36.7 Ų | 36.7 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -79 | -35.6 | -178.8 | -68.6 | 2.7 | 0 | 0 | 0 | 112.8 | D458 D462 T679 A683 N684 R685 | D458-F681 HydrophobicContact CB-CB 4.29Å; D458-F681 HydrophobicContact CB-CD2 3.64Å; D458-F681 HydrophobicContact CB-CE2 4.14Å; D458-F681 HydrophobicContact CB-CG 4.01Å; D458-F681 PolarHBondContact OD2-N 2.95Å; D462-F681 VanDerWaalsContact OD2-CD2 3.25Å; D462-F681 WeakPolarHBondContact OD2-CD2 3.48Å; D462-F681 WeakPolarHBondContact OD2-CE2 3.44Å; T679-F681 VanDerWaalsContact C-N 3.29Å; T679-F681 PolarHBondContact O-N 2.9Å; F681-A683 VanDerWaalsContact C-N 3.32Å; F681-N684 PolarHBondContact O-N 3.36Å; F681-R685 WeakPolarHBondContact O-CD 3.26Å; F681-R685 VanDerWaalsContact O-CG 3.25Å; F681-R685 WeakPolarHBondContact O-CG 3.24Å; F681-R685 PolarHBondContact O-N 3.5Å |
| 682 | E | 85.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 171.8 | -73.8 | 175.6 | 159.4 | 0 | 0 | 110.9 | Y457 V634 F678 T679 N684 R685 F686 | Y457-E682 HydrophobicContact CE1-CG 4.46Å; Y457-E682 WeakPolarHBondContact CE1-OE1 3.44Å; Y457-E682 PolarHBondContact OH-OE1 3.27Å; V634-E682 HydrophobicContact CB-CB 4.06Å; V634-E682 HydrophobicContact CB-CG 4.14Å; V634-E682 HydrophobicContact CG2-CG 4.39Å; F678-E682 HydrophobicContact CB-CB 3.83Å; F678-E682 HydrophobicContact CD1-CB 4.18Å; F678-E682 HydrophobicContact CG-CB 4.04Å; T679-E682 PolarHBondContact N-OE2 3.13Å; T679-E682 VanDerWaalsContact N-OE2 3.1Å; T679-E682 PolarHBondContact O-N 3.12Å; T679-E682 WeakPolarHBondContact OG1-CB 3.45Å; T679-E682 VanDerWaalsContact OG1-CG 3.31Å; T679-E682 WeakPolarHBondContact OG1-CG 3.3Å; T679-E682 PolarHBondContact OG1-N 3.03Å; E682-N684 VanDerWaalsContact C-N 3.34Å; E682-N684 PolarHBondContact O-N 3.17Å; E682-R685 PolarHBondContact O-N 3.26Å; E682-F686 WeakPolarHBondContact O-CB 3.47Å; E682-F686 PolarHBondContact O-N 2.9Å |
| 683 | A | 82.5 | Confident | 84.2 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F678 T679 F681 F686 G687 T760 | F678-A683 HydrophobicContact CB-CB 4.15Å; T679-A683 VanDerWaalsContact O-CB 3.31Å; T679-A683 WeakPolarHBondContact O-CB 3.19Å; T679-A683 PolarHBondContact O-N 2.85Å; F681-A683 VanDerWaalsContact C-N 3.32Å; A683-F686 PolarHBondContact O-N 2.89Å; A683-G687 PolarHBondContact O-N 3.34Å; A683-T760 HydrophobicContact CB-CG2 3.72Å |
| 684 | N | 82.4 | Confident | 84.6 | Confident | 62 Ų | 62 | 34.7 Ų | 34.7 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.2 | -49.2 | 175 | -171.7 | -25.2 | 0 | 0 | 0 | 111.6 | E680 F681 E682 F686 G687 R688 | E680-N684 WeakPolarHBondContact O-CB 3.43Å; E680-N684 PolarHBondContact O-N 3.04Å; F681-N684 PolarHBondContact O-N 3.36Å; E682-N684 VanDerWaalsContact C-N 3.34Å; E682-N684 PolarHBondContact O-N 3.17Å; N684-F686 VanDerWaalsContact C-N 3.33Å; N684-F686 PolarHBondContact O-N 2.97Å; N684-G687 PolarHBondContact O-N 3.3Å; N684-G687 VanDerWaalsContact O-N 3.16Å; N684-R688 PolarHBondContact O-N 2.82Å |
| 685 | R | 87.4 | Confident | 85.1 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 178 | -66.8 | 164.2 | -175.5 | 160.5 | 4.4 | 111.5 | D462 V634 F635 D637 A640 F681 E682 R688 F689 | D462-R685 IonicContact OD1-CZ 3.04Å; D462-R685 IonicContact OD1-NH2 2.78Å; D462-R685 PolarHBondContact OD1-NH2 3.31Å; V634-R685 WeakPolarHBondContact O-CD 3.43Å; V634-R685 PolarHBondContact O-NH1 2.92Å; F635-R685 PolarHBondContact O-NH1 3.36Å; D637-R685 IonicContact OD2-NE 3.37Å; A640-R685 WeakPolarHBondContact CB-O 3.23Å; F681-R685 WeakPolarHBondContact O-CD 3.26Å; F681-R685 VanDerWaalsContact O-CG 3.25Å; F681-R685 WeakPolarHBondContact O-CG 3.24Å; F681-R685 PolarHBondContact O-N 3.5Å; E682-R685 PolarHBondContact O-N 3.26Å; R685-R688 WeakPolarHBondContact O-CB 3.37Å; R685-R688 PolarHBondContact O-N 3.09Å; R685-F689 PolarHBondContact O-N 3.26Å |
| 686 | F | 88.2 | Confident | 85.6 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 173.1 | -169.8 | -113.6 | 0 | 0 | 0 | 112.1 | Y630 V634 I671 V675 F678 E682 A683 N684 R688 F689 F690 | Y630-F686 AromaticContact CD1-CE2 3.87Å; Y630-F686 HydrophobicContact CD1-CE2 3.87Å; Y630-F686 AromaticContact CE1-CE2 3.77Å; Y630-F686 HydrophobicContact CE1-CE2 3.77Å; Y630-F686 HydrophobicContact CE1-CZ 4.08Å; V634-F686 HydrophobicContact CG1-CB 4.11Å; V634-F686 HydrophobicContact CG1-CD2 4.18Å; I671-F686 HydrophobicContact CD1-CE1 4.47Å; V675-F686 HydrophobicContact CG2-CD1 4.49Å; V675-F686 HydrophobicContact CG2-CE1 4.4Å; F678-F686 HydrophobicContact CD2-CB 4.38Å; F678-F686 HydrophobicContact CD2-CG 4.48Å; F678-F686 HydrophobicContact CE2-CB 4Å; F678-F686 AromaticContact CE2-CD1 3.92Å; F678-F686 HydrophobicContact CE2-CD1 3.92Å; F678-F686 HydrophobicContact CE2-CD2 4.05Å; F678-F686 HydrophobicContact CE2-CE1 4.37Å; F678-F686 AromaticContact CE2-CG 3.73Å; F678-F686 HydrophobicContact CE2-CG 3.73Å; F678-F686 HydrophobicContact CZ-CD2 4.43Å; E682-F686 WeakPolarHBondContact O-CB 3.47Å; E682-F686 PolarHBondContact O-N 2.9Å; A683-F686 PolarHBondContact O-N 2.89Å; N684-F686 VanDerWaalsContact C-N 3.33Å; N684-F686 PolarHBondContact O-N 2.97Å; F686-R688 VanDerWaalsContact C-N 3.29Å; F686-R688 PolarHBondContact O-N 3.21Å; F686-F689 HydrophobicContact CD2-CD1 4.38Å; F686-F689 HydrophobicContact CE2-CD1 4.35Å; F686-F689 WeakPolarHBondContact O-CB 3.36Å; F686-F689 PolarHBondContact O-N 2.91Å; F686-F690 HydrophobicContact CD1-CD2 4.34Å; F686-F690 HydrophobicContact CD1-CE2 4.22Å; F686-F690 HydrophobicContact CD2-CD2 4.48Å; F686-F690 HydrophobicContact CD2-CE2 4.23Å; F686-F690 HydrophobicContact CE1-CD2 4.01Å; F686-F690 HydrophobicContact CE1-CE1 4.16Å; F686-F690 AromaticContact CE1-CE2 3.49Å; F686-F690 HydrophobicContact CE1-CE2 3.49Å; F686-F690 VanDerWaalsContact CE1-CE2 3.49Å; F686-F690 AromaticContact CE1-CZ 3.56Å; F686-F690 HydrophobicContact CE1-CZ 3.56Å; F686-F690 HydrophobicContact CE2-CD2 4.16Å; F686-F690 AromaticContact CE2-CE2 3.48Å; F686-F690 HydrophobicContact CE2-CE2 3.48Å; F686-F690 VanDerWaalsContact CE2-CE2 3.48Å; F686-F690 HydrophobicContact CE2-CZ 4.18Å; F686-F690 AromaticContact CZ-CD2 3.94Å; F686-F690 HydrophobicContact CZ-CD2 3.94Å; F686-F690 HydrophobicContact CZ-CE1 4.34Å; F686-F690 AromaticContact CZ-CE2 3.08Å; F686-F690 HydrophobicContact CZ-CE2 3.08Å; F686-F690 AromaticContact CZ-CZ 3.32Å; F686-F690 HydrophobicContact CZ-CZ 3.32Å; F686-F690 PolarHBondContact O-N 3.47Å |
| 687 | G | 85.3 | Confident | 86.2 | Confident | 37 Ų | 37 | 34.8 Ų | 34.8 | 38% | 0.381 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A683 N684 F690 A691 | A683-G687 PolarHBondContact O-N 3.34Å; N684-G687 PolarHBondContact O-N 3.3Å; N684-G687 VanDerWaalsContact O-N 3.16Å; G687-F690 PolarHBondContact O-N 3.09Å; G687-A691 WeakPolarHBondContact O-CB 3.22Å; G687-A691 PolarHBondContact O-N 2.94Å |
| 688 | R | 86.9 | Confident | 86.7 | Confident | 42 Ų | 42 | 34.3 Ų | 34.3 | 16% | 0.158 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -45 | 175.1 | -166.4 | -179.9 | -62.1 | -78.9 | -2.4 | 112.3 | D390 D637 I641 N684 R685 F686 F690 A691 S692 | D390-R688 IonicContact OD1-NH1 3.38Å; D637-R688 IonicContact OD1-CZ 2.57Å; D637-R688 IonicContact OD1-NE 3.33Å; D637-R688 PolarHBondContact OD1-NE 3.33Å; D637-R688 IonicContact OD1-NH2 3.57Å; D637-R688 PolarHBondContact OD1-NH2 2.65Å; I641-R688 HydrophobicContact CD1-CG 4.03Å; N684-R688 PolarHBondContact O-N 2.82Å; R685-R688 WeakPolarHBondContact O-CB 3.37Å; R685-R688 PolarHBondContact O-N 3.09Å; F686-R688 VanDerWaalsContact C-N 3.29Å; F686-R688 PolarHBondContact O-N 3.21Å; R688-F690 VanDerWaalsContact C-N 3.27Å; R688-F690 PolarHBondContact O-N 3.49Å; R688-A691 PolarHBondContact O-N 3.36Å; R688-S692 PolarHBondContact O-N 2.92Å; R688-S692 VanDerWaalsContact O-N 3.08Å; R688-S692 PolarHBondContact O-OG 3.08Å |
| 689 | F | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.9 | -42 | 172.8 | 164.9 | -116.4 | 0 | 0 | 0 | 111.7 | V629 C633 A640 C643 H644 I647 L667 R685 F686 T693 | V629-F689 HydrophobicContact CG1-CE1 4.07Å; V629-F689 HydrophobicContact CG1-CE2 4.42Å; V629-F689 HydrophobicContact CG1-CZ 3.76Å; C633-F689 HydrophobicContact CB-CB 4.07Å; C633-F689 HydrophobicContact CB-CD1 4.08Å; C633-F689 HydrophobicContact CB-CD2 4.37Å; C633-F689 HydrophobicContact CB-CG 3.92Å; A640-F689 HydrophobicContact CB-CB 4.07Å; C643-F689 HydrophobicContact CB-CD2 3.9Å; C643-F689 HydrophobicContact CB-CE2 3.87Å; H644-F689 HydrophobicContact CB-CD2 3.91Å; H644-F689 HydrophobicContact CB-CE2 4.15Å; I647-F689 HydrophobicContact CD1-CE2 3.94Å; I647-F689 HydrophobicContact CD1-CZ 3.97Å; L667-F689 HydrophobicContact CD1-CE1 4.49Å; L667-F689 HydrophobicContact CD2-CE1 3.86Å; L667-F689 HydrophobicContact CD2-CZ 3.95Å; R685-F689 PolarHBondContact O-N 3.26Å; F686-F689 HydrophobicContact CD2-CD1 4.38Å; F686-F689 HydrophobicContact CE2-CD1 4.35Å; F686-F689 WeakPolarHBondContact O-CB 3.36Å; F686-F689 PolarHBondContact O-N 2.91Å; F689-T693 VanDerWaalsContact O-CB 3.27Å; F689-T693 WeakPolarHBondContact O-CB 3.48Å; F689-T693 PolarHBondContact O-N 2.95Å; F689-T693 PolarHBondContact O-OG1 3.44Å |
| 690 | F | 90.2 | Very high | 87.3 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 176.2 | -89.6 | -134.2 | 0 | 0 | 0 | 111.8 | L667 F668 I671 F686 G687 R688 S692 T693 F694 I742 | L667-F690 HydrophobicContact CD2-CE2 4.5Å; F668-F690 HydrophobicContact CD1-CD1 4.41Å; F668-F690 AromaticContact CD1-CE1 3.55Å; F668-F690 HydrophobicContact CD1-CE1 3.55Å; F668-F690 HydrophobicContact CD1-CE2 4.45Å; F668-F690 AromaticContact CD1-CZ 3.57Å; F668-F690 HydrophobicContact CD1-CZ 3.57Å; F668-F690 AromaticContact CE1-CD1 3.98Å; F668-F690 HydrophobicContact CE1-CD1 3.98Å; F668-F690 HydrophobicContact CE1-CD2 4.43Å; F668-F690 AromaticContact CE1-CE1 3.49Å; F668-F690 HydrophobicContact CE1-CE1 3.49Å; F668-F690 VanDerWaalsContact CE1-CE1 3.49Å; F668-F690 AromaticContact CE1-CE2 3.97Å; F668-F690 HydrophobicContact CE1-CE2 3.97Å; F668-F690 HydrophobicContact CE1-CG 4.42Å; F668-F690 AromaticContact CE1-CZ 3.49Å; F668-F690 HydrophobicContact CE1-CZ 3.49Å; F668-F690 VanDerWaalsContact CE1-CZ 3.49Å; I671-F690 HydrophobicContact CD1-CE1 3.81Å; I671-F690 HydrophobicContact CD1-CZ 4.34Å; I671-F690 HydrophobicContact CG2-CZ 4.18Å; F686-F690 HydrophobicContact CD1-CD2 4.34Å; F686-F690 HydrophobicContact CD1-CE2 4.22Å; F686-F690 HydrophobicContact CD2-CD2 4.48Å; F686-F690 HydrophobicContact CD2-CE2 4.23Å; F686-F690 HydrophobicContact CE1-CD2 4.01Å; F686-F690 HydrophobicContact CE1-CE1 4.16Å; F686-F690 AromaticContact CE1-CE2 3.49Å; F686-F690 HydrophobicContact CE1-CE2 3.49Å; F686-F690 VanDerWaalsContact CE1-CE2 3.49Å; F686-F690 AromaticContact CE1-CZ 3.56Å; F686-F690 HydrophobicContact CE1-CZ 3.56Å; F686-F690 HydrophobicContact CE2-CD2 4.16Å; F686-F690 AromaticContact CE2-CE2 3.48Å; F686-F690 HydrophobicContact CE2-CE2 3.48Å; F686-F690 VanDerWaalsContact CE2-CE2 3.48Å; F686-F690 HydrophobicContact CE2-CZ 4.18Å; F686-F690 AromaticContact CZ-CD2 3.94Å; F686-F690 HydrophobicContact CZ-CD2 3.94Å; F686-F690 HydrophobicContact CZ-CE1 4.34Å; F686-F690 AromaticContact CZ-CE2 3.08Å; F686-F690 HydrophobicContact CZ-CE2 3.08Å; F686-F690 AromaticContact CZ-CZ 3.32Å; F686-F690 HydrophobicContact CZ-CZ 3.32Å; F686-F690 PolarHBondContact O-N 3.47Å; G687-F690 PolarHBondContact O-N 3.09Å; R688-F690 VanDerWaalsContact C-N 3.27Å; R688-F690 PolarHBondContact O-N 3.49Å; F690-S692 PolarHBondContact O-N 2.94Å; F690-T693 PolarHBondContact O-N 3.41Å; F690-F694 HydrophobicContact CD1-CE2 4.33Å; F690-F694 WeakPolarHBondContact O-CD2 3.37Å; F690-F694 PolarHBondContact O-N 3.21Å; F690-I742 HydrophobicContact CD1-CD1 4.04Å; F690-I742 HydrophobicContact CE1-CD1 3.85Å; F690-I742 HydrophobicContact CE1-CG1 4.19Å |
| 691 | A | 86.8 | Confident | 87.6 | Confident | 62 Ų | 62 | 35 Ų | 35 | 51% | 0.512 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.8 | -50.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G687 R688 T693 F694 E695 | G687-A691 WeakPolarHBondContact O-CB 3.22Å; G687-A691 PolarHBondContact O-N 2.94Å; R688-A691 PolarHBondContact O-N 3.36Å; A691-T693 VanDerWaalsContact C-N 3.33Å; A691-T693 PolarHBondContact O-N 3.41Å; A691-F694 PolarHBondContact O-N 3.13Å; A691-E695 WeakPolarHBondContact O-CB 3.34Å; A691-E695 PolarHBondContact O-N 3.23Å |
| 692 | S | 88.4 | Confident | 87.8 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -37.3 | 177.4 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | I641 H644 R688 F690 E695 M696 | I641-S692 VanDerWaalsContact CD1-OG 3.26Å; I641-S692 WeakPolarHBondContact CD1-OG 3.21Å; H644-S692 VanDerWaalsContact CD2-CB 3.48Å; H644-S692 WeakPolarHBondContact CD2-CB 3.4Å; H644-S692 PolarHBondContact CE1-O 3.19Å; H644-S692 PolarHBondContact NE2-O 3.16Å; R688-S692 PolarHBondContact O-N 2.92Å; R688-S692 VanDerWaalsContact O-N 3.08Å; R688-S692 PolarHBondContact O-OG 3.08Å; F690-S692 PolarHBondContact O-N 2.94Å; S692-E695 WeakPolarHBondContact O-CB 3.3Å; S692-E695 PolarHBondContact O-N 2.95Å; S692-M696 PolarHBondContact O-N 3.26Å |
| 693 | T | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.1 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | H644 Y664 F668 F689 F690 A691 E695 M696 L697 | H644-T693 WeakPolarHBondContact ND1-CA 3.35Å; H644-T693 PolarHBondContact ND1-N 2.97Å; H644-T693 PolarHBondContact ND1-OG1 3.17Å; Y664-T693 HydrophobicContact CD1-CG2 4.01Å; Y664-T693 HydrophobicContact CE1-CG2 3.3Å; F668-T693 HydrophobicContact CZ-CG2 3.93Å; F689-T693 VanDerWaalsContact O-CB 3.27Å; F689-T693 WeakPolarHBondContact O-CB 3.48Å; F689-T693 PolarHBondContact O-N 2.95Å; F689-T693 PolarHBondContact O-OG1 3.44Å; F690-T693 PolarHBondContact O-N 3.41Å; A691-T693 VanDerWaalsContact C-N 3.33Å; A691-T693 PolarHBondContact O-N 3.41Å; T693-E695 VanDerWaalsContact C-N 3.33Å; T693-E695 PolarHBondContact O-N 3.33Å; T693-M696 WeakPolarHBondContact O-CB 3.45Å; T693-M696 PolarHBondContact O-N 3.48Å; T693-L697 HydrophobicContact CG2-CD1 3.98Å; T693-L697 HydrophobicContact CG2-CG 4.43Å; T693-L697 WeakPolarHBondContact O-CG 3Å; T693-L697 PolarHBondContact O-N 2.96Å |
| 694 | F | 89.2 | Confident | 88.3 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.8 | -32.4 | 177.6 | -89.8 | -84 | 0 | 0 | 0 | 112.5 | F668 F690 A691 M696 L697 L698 L735 Q739 I742 | F668-F694 HydrophobicContact CD2-CZ 4.43Å; F668-F694 AromaticContact CE1-CE2 3.86Å; F668-F694 HydrophobicContact CE1-CE2 3.86Å; F668-F694 HydrophobicContact CE1-CZ 4.5Å; F668-F694 HydrophobicContact CE2-CE2 4.05Å; F668-F694 HydrophobicContact CE2-CZ 4.03Å; F668-F694 HydrophobicContact CZ-CD2 4.35Å; F668-F694 AromaticContact CZ-CE2 3.59Å; F668-F694 HydrophobicContact CZ-CE2 3.59Å; F668-F694 HydrophobicContact CZ-CZ 4.06Å; F690-F694 HydrophobicContact CD1-CE2 4.33Å; F690-F694 WeakPolarHBondContact O-CD2 3.37Å; F690-F694 PolarHBondContact O-N 3.21Å; A691-F694 PolarHBondContact O-N 3.13Å; F694-M696 VanDerWaalsContact C-N 3.29Å; F694-M696 PolarHBondContact O-N 2.94Å; F694-L697 PolarHBondContact O-N 3.05Å; F694-L698 HydrophobicContact CB-CD1 4.4Å; F694-L698 WeakPolarHBondContact O-CB 3.34Å; F694-L698 WeakPolarHBondContact O-CD1 3.37Å; F694-L698 WeakPolarHBondContact O-CG 3.28Å; F694-L698 PolarHBondContact O-N 3.17Å; F694-L735 HydrophobicContact CD1-CD1 4.28Å; F694-L735 HydrophobicContact CE1-CD1 3.89Å; F694-Q739 HydrophobicContact CE1-CG 3.81Å; F694-I742 HydrophobicContact CE2-CD1 3.31Å; F694-I742 HydrophobicContact CZ-CD1 3.32Å |
| 695 | E | 88.8 | Confident | 88.6 | Confident | 120 Ų | 120 | 45 Ų | 45 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -57.8 | -43.5 | 171.9 | -172.1 | -172.6 | 166.7 | 0 | 0 | 111.3 | A691 S692 T693 R699 | A691-E695 WeakPolarHBondContact O-CB 3.34Å; A691-E695 PolarHBondContact O-N 3.23Å; S692-E695 WeakPolarHBondContact O-CB 3.3Å; S692-E695 PolarHBondContact O-N 2.95Å; T693-E695 VanDerWaalsContact C-N 3.33Å; T693-E695 PolarHBondContact O-N 3.33Å; E695-R699 VanDerWaalsContact O-CG 3.24Å; E695-R699 WeakPolarHBondContact O-CG 3.24Å; E695-R699 PolarHBondContact O-N 3.24Å; E695-R699 VanDerWaalsContact O-N 3.09Å; E695-R699 PolarHBondContact O-NE 3.42Å |
| 696 | M | 90.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -48.9 | 173.7 | -176.6 | -172.3 | 71 | 0 | 0 | 112.8 | E648 Y664 S692 T693 F694 L698 R699 W700 | E648-M696 HydrophobicContact CB-SD 3.69Å; E648-M696 HydrophobicContact CG-SD 3.56Å; E648-M696 VanDerWaalsContact CG-SD 3.56Å; Y664-M696 HydrophobicContact CE2-CE 3.95Å; Y664-M696 VanDerWaalsContact OH-CE 3.28Å; Y664-M696 WeakPolarHBondContact OH-CE 3.14Å; S692-M696 PolarHBondContact O-N 3.26Å; T693-M696 WeakPolarHBondContact O-CB 3.45Å; T693-M696 PolarHBondContact O-N 3.48Å; F694-M696 VanDerWaalsContact C-N 3.29Å; F694-M696 PolarHBondContact O-N 2.94Å; M696-L698 VanDerWaalsContact C-N 3.32Å; M696-L698 PolarHBondContact O-N 3.28Å; M696-R699 WeakPolarHBondContact O-CB 3.45Å; M696-R699 PolarHBondContact O-N 3.02Å; M696-W700 HydrophobicContact CE-CH2 3.62Å; M696-W700 HydrophobicContact CE-CZ2 4.08Å; M696-W700 HydrophobicContact CE-CZ3 4.21Å; M696-W700 HydrophobicContact CG-CH2 4.13Å; M696-W700 HydrophobicContact CG-CZ2 3.64Å; M696-W700 PolarHBondContact O-N 3.03Å; M696-W700 HydrophobicContact SD-CH2 3.91Å; M696-W700 HydrophobicContact SD-CZ2 3.76Å |
| 697 | L | 89.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | -178.8 | -64.8 | 174.6 | 0 | 0 | 0 | 111.8 | Y664 F668 T693 F694 W700 H701 Y731 L735 W738 | Y664-L697 HydrophobicContact CD2-CD1 4.44Å; Y664-L697 HydrophobicContact CD2-CD2 3.97Å; Y664-L697 HydrophobicContact CE2-CD2 3.93Å; F668-L697 HydrophobicContact CE2-CD1 3.94Å; F668-L697 HydrophobicContact CZ-CD1 4.37Å; T693-L697 HydrophobicContact CG2-CD1 3.98Å; T693-L697 HydrophobicContact CG2-CG 4.43Å; T693-L697 WeakPolarHBondContact O-CG 3Å; T693-L697 PolarHBondContact O-N 2.96Å; F694-L697 PolarHBondContact O-N 3.05Å; L697-W700 HydrophobicContact CD2-CE3 3.92Å; L697-W700 HydrophobicContact CD2-CZ3 3.67Å; L697-W700 PolarHBondContact O-N 3.27Å; L697-H701 PolarHBondContact O-N 2.94Å; L697-Y731 WeakPolarHBondContact CA-OH 3.37Å; L697-Y731 PolarHBondContact O-OH 2.92Å; L697-L735 HydrophobicContact CB-CD1 3.89Å; L697-L735 HydrophobicContact CD1-CD1 4.25Å; L697-W738 HydrophobicContact CD1-CE3 4.14Å; L697-W738 HydrophobicContact CD1-CZ3 3.93Å; L697-W738 HydrophobicContact CD2-CZ3 4.25Å |
| 698 | L | 89.6 | Confident | 88.4 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 38% | 0.377 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.4 | -34.9 | 177.1 | -72.2 | 167.2 | 0 | 0 | 0 | 111.8 | F694 M696 W700 H701 V702 L735 | F694-L698 HydrophobicContact CB-CD1 4.4Å; F694-L698 WeakPolarHBondContact O-CB 3.34Å; F694-L698 WeakPolarHBondContact O-CD1 3.37Å; F694-L698 WeakPolarHBondContact O-CG 3.28Å; F694-L698 PolarHBondContact O-N 3.17Å; M696-L698 VanDerWaalsContact C-N 3.32Å; M696-L698 PolarHBondContact O-N 3.28Å; L698-W700 PolarHBondContact O-N 3.25Å; L698-H701 WeakPolarHBondContact O-CA 3.42Å; L698-H701 WeakPolarHBondContact O-CB 3.44Å; L698-H701 PolarHBondContact O-N 3.28Å; L698-V702 WeakPolarHBondContact O-CG2 3.34Å; L698-V702 PolarHBondContact O-N 3.33Å; L698-V702 VanDerWaalsContact O-N 3.16Å; L698-L735 HydrophobicContact CD2-CD2 4.02Å |
| 699 | R | 89.8 | Confident | 88.2 | Confident | 106 Ų | 106 | 53.8 Ų | 53.8 | 40% | 0.4 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.1 | -38.8 | 172.1 | -81 | -179.5 | -76 | 154.2 | 0.8 | 111.6 | E648 E695 M696 H701 T706 | E648-R699 IonicContact OE1-NH2 2.77Å; E648-R699 PolarHBondContact OE1-NH2 2.87Å; E695-R699 VanDerWaalsContact O-CG 3.24Å; E695-R699 WeakPolarHBondContact O-CG 3.24Å; E695-R699 PolarHBondContact O-N 3.24Å; E695-R699 VanDerWaalsContact O-N 3.09Å; E695-R699 PolarHBondContact O-NE 3.42Å; M696-R699 WeakPolarHBondContact O-CB 3.45Å; M696-R699 PolarHBondContact O-N 3.02Å; R699-H701 VanDerWaalsContact C-N 3.34Å; R699-T706 WeakPolarHBondContact O-CG2 3.42Å |
| 700 | W | 87.8 | Confident | 87.6 | Confident | 10 Ų | 10 | 55 Ų | 55 | 4% | 0.038 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.6 | -20.6 | 175.7 | -52.4 | -24.4 | 0 | 0 | 0 | 113.5 | H651 F652 M661 M696 L697 L698 Y707 V710 F716 Y731 | H651-W700 AromaticContact CD2-CH2 3.68Å; H651-W700 AromaticContact CD2-CZ2 3.74Å; H651-W700 AromaticContact CE1-CH2 3.84Å; H651-W700 AromaticContact NE2-CH2 3.55Å; H651-W700 AromaticContact NE2-CZ2 3.69Å; F652-W700 HydrophobicContact CZ-CZ2 4.27Å; M661-W700 HydrophobicContact CE-CE3 4.18Å; M661-W700 HydrophobicContact CE-CZ3 4Å; M696-W700 HydrophobicContact CE-CH2 3.62Å; M696-W700 HydrophobicContact CE-CZ2 4.08Å; M696-W700 HydrophobicContact CE-CZ3 4.21Å; M696-W700 HydrophobicContact CG-CH2 4.13Å; M696-W700 HydrophobicContact CG-CZ2 3.64Å; M696-W700 PolarHBondContact O-N 3.03Å; M696-W700 HydrophobicContact SD-CH2 3.91Å; M696-W700 HydrophobicContact SD-CZ2 3.76Å; L697-W700 HydrophobicContact CD2-CE3 3.92Å; L697-W700 HydrophobicContact CD2-CZ3 3.67Å; L697-W700 PolarHBondContact O-N 3.27Å; L698-W700 PolarHBondContact O-N 3.25Å; W700-Y707 HydrophobicContact CB-CD2 4.4Å; W700-V710 HydrophobicContact CD2-CG1 4.39Å; W700-V710 HydrophobicContact CZ2-CG1 4.04Å; W700-F716 HydrophobicContact CE3-CE1 4.41Å; W700-F716 HydrophobicContact CE3-CZ 4.4Å; W700-F716 HydrophobicContact CZ3-CZ 4.45Å; W700-Y731 HydrophobicContact CB-CE1 3.96Å |
| 701 | H | 85.8 | Confident | 86.6 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80.2 | -21.4 | 176.1 | 176.9 | -77.9 | 0 | 0 | 0 | 113.1 | L697 L698 R699 S703 Y728 Y731 R732 L735 | L697-H701 PolarHBondContact O-N 2.94Å; L698-H701 WeakPolarHBondContact O-CA 3.42Å; L698-H701 WeakPolarHBondContact O-CB 3.44Å; L698-H701 PolarHBondContact O-N 3.28Å; R699-H701 VanDerWaalsContact C-N 3.34Å; H701-S703 PolarHBondContact O-N 3.29Å; H701-Y728 PolarHBondContact O-OH 2.93Å; H701-Y731 HydrophobicContact CB-CE1 4.25Å; H701-R732 PolarHBondContact NE2-NE 3.45Å; H701-L735 HydrophobicContact CB-CD2 3.66Å |
| 702 | V | 87.5 | Confident | 85.3 | Confident | 112 Ų | 112 | 59 Ų | 59 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -58 | -43.8 | -173 | 175.8 | 0 | 0 | 0 | 0 | 112.7 | L698 | L698-V702 WeakPolarHBondContact O-CG2 3.34Å; L698-V702 PolarHBondContact O-N 3.33Å; L698-V702 VanDerWaalsContact O-N 3.16Å |
| 703 | S | 89.3 | Confident | 83.7 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | trans | -150.4 | 149.5 | 179.6 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | H701 E705 T706 Y707 Y728 | H701-S703 PolarHBondContact O-N 3.29Å; S703-E705 VanDerWaalsContact C-N 3.25Å; S703-E705 PolarHBondContact O-N 3.05Å; S703-T706 PolarHBondContact O-N 3.26Å; S703-T706 VanDerWaalsContact O-N 3.11Å; S703-T706 WeakPolarHBondContact OG-CB 3.41Å; S703-T706 PolarHBondContact OG-N 3.09Å; S703-T706 PolarHBondContact OG-OG1 2.98Å; S703-Y707 PolarHBondContact O-N 3.05Å; S703-Y728 WeakPolarHBondContact CA-OH 3.45Å | ||
| 704 | Q | 89.5 | Confident | 81.9 | Confident | 104 Ų | 104 | 60.9 Ų | 60.9 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 175.7 | -177.2 | 173.6 | -10.1 | 0 | 0 | 111.6 | T706 Y707 E708 Y728 | Q704-T706 VanDerWaalsContact C-N 3.34Å; Q704-T706 PolarHBondContact O-N 3.24Å; Q704-Y707 WeakPolarHBondContact O-CB 3.02Å; Q704-Y707 PolarHBondContact O-N 3.24Å; Q704-E708 HydrophobicContact CG-CG 4.22Å; Q704-E708 VanDerWaalsContact CG-OE1 3.31Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.46Å; Q704-E708 PolarHBondContact NE2-OE1 2.93Å; Q704-E708 WeakPolarHBondContact O-CB 3.36Å; Q704-E708 VanDerWaalsContact O-CG 3.32Å; Q704-E708 WeakPolarHBondContact O-CG 3.46Å; Q704-E708 PolarHBondContact O-N 3.05Å; Q704-Y728 HydrophobicContact CB-CD1 3.69Å; Q704-Y728 HydrophobicContact CB-CD2 4.38Å; Q704-Y728 HydrophobicContact CB-CE1 3.69Å; Q704-Y728 HydrophobicContact CB-CE2 4.37Å; Q704-Y728 HydrophobicContact CB-CG 4.03Å; Q704-Y728 HydrophobicContact CG-CD1 3.89Å; Q704-Y728 HydrophobicContact CG-CE1 4.4Å; Q704-Y728 HydrophobicContact CG-CG 3.96Å; Q704-Y728 VanDerWaalsContact N-CZ 3.33Å; Q704-Y728 PolarHBondContact N-OH 3.01Å |
| 705 | E | 88.8 | Confident | 80.6 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 54% | 0.542 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.5 | -169.8 | -165.5 | 157.6 | 0 | 0 | 112.1 | S703 K709 | S703-E705 VanDerWaalsContact C-N 3.25Å; S703-E705 PolarHBondContact O-N 3.05Å; E705-K709 VanDerWaalsContact O-CG 3.28Å; E705-K709 WeakPolarHBondContact O-CG 3.5Å; E705-K709 PolarHBondContact O-N 3.47Å; E705-K709 VanDerWaalsContact O-N 3.07Å; E705-K709 VanDerWaalsContact OE1-CE 3.25Å; E705-K709 WeakPolarHBondContact OE1-CE 3.49Å; E705-K709 IonicContact OE1-NZ 3.32Å; E705-K709 PolarHBondContact OE1-NZ 3.32Å |
| 706 | T | 87 | Confident | 79.2 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | R699 S703 Q704 V710 | R699-T706 WeakPolarHBondContact O-CG2 3.42Å; S703-T706 PolarHBondContact O-N 3.26Å; S703-T706 VanDerWaalsContact O-N 3.11Å; S703-T706 WeakPolarHBondContact OG-CB 3.41Å; S703-T706 PolarHBondContact OG-N 3.09Å; S703-T706 PolarHBondContact OG-OG1 2.98Å; Q704-T706 VanDerWaalsContact C-N 3.34Å; Q704-T706 PolarHBondContact O-N 3.24Å; T706-V710 WeakPolarHBondContact O-CG2 3.34Å; T706-V710 PolarHBondContact O-N 3.14Å |
| 707 | Y | 86.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 174.9 | -179.7 | -100.7 | 0 | 0 | 0 | 112 | W700 S703 Q704 K709 V710 N711 F716 L726 Y728 Y731 | W700-Y707 HydrophobicContact CB-CD2 4.4Å; S703-Y707 PolarHBondContact O-N 3.05Å; Q704-Y707 WeakPolarHBondContact O-CB 3.02Å; Q704-Y707 PolarHBondContact O-N 3.24Å; Y707-K709 VanDerWaalsContact C-N 3.28Å; Y707-K709 PolarHBondContact O-N 2.94Å; Y707-V710 PolarHBondContact O-N 2.83Å; Y707-N711 HydrophobicContact CD1-CB 4.3Å; Y707-N711 HydrophobicContact CE1-CB 4.08Å; Y707-N711 VanDerWaalsContact O-CB 3.29Å; Y707-N711 WeakPolarHBondContact O-CB 3.48Å; Y707-N711 PolarHBondContact O-N 2.98Å; Y707-F716 HydrophobicContact CD2-CE1 4.32Å; Y707-F716 AromaticContact CE2-CD1 3.91Å; Y707-F716 HydrophobicContact CE2-CD1 3.91Å; Y707-F716 AromaticContact CE2-CE1 3.58Å; Y707-F716 HydrophobicContact CE2-CE1 3.58Å; Y707-F716 AromaticContact CZ-CD1 3.99Å; Y707-L726 PolarHBondContact OH-O 3.32Å; Y707-Y728 AromaticContact CD1-CD2 3.78Å; Y707-Y728 HydrophobicContact CD1-CD2 3.78Å; Y707-Y728 HydrophobicContact CD1-CG 4.3Å; Y707-Y728 HydrophobicContact CD2-CD2 4.19Å; Y707-Y728 AromaticContact CG-CD2 3.56Å; Y707-Y728 HydrophobicContact CG-CD2 3.56Å; Y707-Y728 HydrophobicContact CG-CE2 4.28Å; Y707-Y731 AromaticContact CD2-CD1 3.59Å; Y707-Y731 HydrophobicContact CD2-CD1 3.59Å; Y707-Y731 HydrophobicContact CD2-CE1 4.04Å; Y707-Y731 AromaticContact CD2-CG 3.95Å; Y707-Y731 HydrophobicContact CD2-CG 3.95Å; Y707-Y731 AromaticContact CE2-CD1 3.52Å; Y707-Y731 HydrophobicContact CE2-CD1 3.52Å; Y707-Y731 AromaticContact CE2-CD2 3.9Å; Y707-Y731 HydrophobicContact CE2-CD2 3.9Å; Y707-Y731 HydrophobicContact CE2-CE1 4.19Å; Y707-Y731 AromaticContact CE2-CG 3.35Å; Y707-Y731 HydrophobicContact CE2-CG 3.35Å |
| 708 | E | 84.2 | Confident | 75.9 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -33 | -179 | -75.5 | 173.8 | 179.9 | 0 | 0 | 112.7 | Q704 V710 N711 Q712 | Q704-E708 HydrophobicContact CG-CG 4.22Å; Q704-E708 VanDerWaalsContact CG-OE1 3.31Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.46Å; Q704-E708 PolarHBondContact NE2-OE1 2.93Å; Q704-E708 WeakPolarHBondContact O-CB 3.36Å; Q704-E708 VanDerWaalsContact O-CG 3.32Å; Q704-E708 WeakPolarHBondContact O-CG 3.46Å; Q704-E708 PolarHBondContact O-N 3.05Å; E708-V710 VanDerWaalsContact C-N 3.3Å; E708-V710 PolarHBondContact O-N 3.02Å; E708-N711 PolarHBondContact O-N 3.44Å; E708-Q712 WeakPolarHBondContact O-CG 3.37Å |
| 709 | K | 82.5 | Confident | 74.1 | Confident | 127 Ų | 127 | 55.8 Ų | 55.8 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.7 | -36.2 | 172.7 | -77.7 | 171 | -175.3 | 167.6 | 0 | 112.6 | E705 Y707 | E705-K709 VanDerWaalsContact O-CG 3.28Å; E705-K709 WeakPolarHBondContact O-CG 3.5Å; E705-K709 PolarHBondContact O-N 3.47Å; E705-K709 VanDerWaalsContact O-N 3.07Å; E705-K709 VanDerWaalsContact OE1-CE 3.25Å; E705-K709 WeakPolarHBondContact OE1-CE 3.49Å; E705-K709 IonicContact OE1-NZ 3.32Å; E705-K709 PolarHBondContact OE1-NZ 3.32Å; Y707-K709 VanDerWaalsContact C-N 3.28Å; Y707-K709 PolarHBondContact O-N 2.94Å |
| 710 | V | 77 | Confident | 72 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -85.1 | -33.6 | -179.7 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | H651 F652 W700 T706 Y707 E708 Q712 F716 | H651-V710 VanDerWaalsContact NE2-CG1 3.27Å; H651-V710 WeakPolarHBondContact NE2-CG1 3.5Å; F652-V710 HydrophobicContact CE1-CG1 3.9Å; F652-V710 HydrophobicContact CZ-CG1 4.2Å; W700-V710 HydrophobicContact CD2-CG1 4.39Å; W700-V710 HydrophobicContact CZ2-CG1 4.04Å; T706-V710 WeakPolarHBondContact O-CG2 3.34Å; T706-V710 PolarHBondContact O-N 3.14Å; Y707-V710 PolarHBondContact O-N 2.83Å; E708-V710 VanDerWaalsContact C-N 3.3Å; E708-V710 PolarHBondContact O-N 3.02Å; V710-Q712 PolarHBondContact O-N 3.22Å; V710-F716 HydrophobicContact CB-CE2 4.47Å; V710-F716 HydrophobicContact CB-CZ 4.18Å; V710-F716 HydrophobicContact CG1-CE2 3.86Å; V710-F716 HydrophobicContact CG1-CZ 3.63Å; V710-F716 WeakPolarHBondContact O-CE2 3.37Å |
| 711 | N | 68.9 | Low | 69.7 | Low | 26 Ų | 26 | 62.8 Ų | 62.8 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | trans | -70.7 | 15.4 | 178.6 | -164 | 25 | 0 | 0 | 0 | 114.5 | Y707 E708 A713 F716 W725 | Y707-N711 HydrophobicContact CD1-CB 4.3Å; Y707-N711 HydrophobicContact CE1-CB 4.08Å; Y707-N711 VanDerWaalsContact O-CB 3.29Å; Y707-N711 WeakPolarHBondContact O-CB 3.48Å; Y707-N711 PolarHBondContact O-N 2.98Å; E708-N711 PolarHBondContact O-N 3.44Å; N711-A713 PolarHBondContact O-N 3.17Å; N711-F716 HydrophobicContact CB-CD2 4.33Å; N711-F716 HydrophobicContact CB-CE2 4.36Å; N711-F716 WeakPolarHBondContact OD1-CB 3.35Å; N711-F716 WeakPolarHBondContact OD1-CD2 3.23Å; N711-F716 WeakPolarHBondContact OD1-CG 3.32Å; N711-W725 VanDerWaalsContact O-CZ3 3.23Å; N711-W725 WeakPolarHBondContact O-CZ3 3.49Å | ||
| 712 | Q | 60.7 | Low | 67.6 | Low | 136 Ų | 136 | 66.7 Ų | 66.7 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -89.5 | 17.7 | 171.6 | -61.3 | -174.5 | 6.5 | 0 | 0 | 112.9 | K654 E708 V710 | K654-Q712 PolarHBondContact NZ-O 3.08Å; E708-Q712 WeakPolarHBondContact O-CG 3.37Å; V710-Q712 PolarHBondContact O-N 3.22Å |
| 713 | A | 54.6 | Low | 65.7 | Low | 6 Ų | 6 | 68.6 Ų | 68.6 | 5% | 0.05 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -122.2 | 143.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | K654 N711 C715 | K654-A713 HydrophobicContact CG-CB 4.2Å; N711-A713 PolarHBondContact O-N 3.17Å; A713-C715 PolarHBondContact O-N 2.92Å |
| 714 | P | 53.4 | Low | 64.3 | Low | 55 Ų | 55 | 71.6 Ų | 71.6 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 11.9 | -179.3 | 26.9 | -34.5 | 0 | 0 | 0 | 115.2 | N657 H717 | N657-P714 WeakPolarHBondContact OD1-CB 3.45Å; N657-P714 PolarHBondContact OD1-O 3.01Å; P714-H717 PolarHBondContact O-CD2 2.84Å; P714-H717 VanDerWaalsContact O-CD2 3.3Å |
| 715 | C | 60.3 | Low | 63.1 | Low | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.014 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -1.5 | -168.3 | -52.1 | 0 | 0 | 0 | 0 | 115 | H651 F658 A713 H717 | H651-C715 PolarHBondContact O-SG 3.06Å; F658-C715 WeakPolarHBondContact O-CB 3.18Å; A713-C715 PolarHBondContact O-N 2.92Å; C715-H717 PolarHBondContact O-N 3.06Å |
| 716 | F | 60 | Low | 62.7 | Low | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | trans | -98.7 | 49.6 | -175.1 | -76.5 | -98.1 | 0 | 0 | 0 | 113.6 | H651 M661 W700 Y707 V710 N711 L726 | H651-F716 AromaticContact CE1-CE2 3.31Å; H651-F716 WeakPolarHBondContact CE1-CE2 3.46Å; H651-F716 AromaticContact CE1-CZ 3.57Å; H651-F716 AromaticContact NE2-CE2 3.62Å; H651-F716 AromaticContact NE2-CZ 3.76Å; M661-F716 HydrophobicContact CE-CD1 3.22Å; M661-F716 HydrophobicContact CE-CE1 3.08Å; M661-F716 HydrophobicContact CE-CG 4.31Å; M661-F716 HydrophobicContact CE-CZ 4.08Å; M661-F716 HydrophobicContact CG-CD1 4.28Å; W700-F716 HydrophobicContact CE3-CE1 4.41Å; W700-F716 HydrophobicContact CE3-CZ 4.4Å; W700-F716 HydrophobicContact CZ3-CZ 4.45Å; Y707-F716 HydrophobicContact CD2-CE1 4.32Å; Y707-F716 AromaticContact CE2-CD1 3.91Å; Y707-F716 HydrophobicContact CE2-CD1 3.91Å; Y707-F716 AromaticContact CE2-CE1 3.58Å; Y707-F716 HydrophobicContact CE2-CE1 3.58Å; Y707-F716 AromaticContact CZ-CD1 3.99Å; V710-F716 HydrophobicContact CB-CE2 4.47Å; V710-F716 HydrophobicContact CB-CZ 4.18Å; V710-F716 HydrophobicContact CG1-CE2 3.86Å; V710-F716 HydrophobicContact CG1-CZ 3.63Å; V710-F716 WeakPolarHBondContact O-CE2 3.37Å; N711-F716 HydrophobicContact CB-CD2 4.33Å; N711-F716 HydrophobicContact CB-CE2 4.36Å; N711-F716 WeakPolarHBondContact OD1-CB 3.35Å; N711-F716 WeakPolarHBondContact OD1-CD2 3.23Å; N711-F716 WeakPolarHBondContact OD1-CG 3.32Å; F716-L726 WeakPolarHBondContact O-CB 3.35Å; F716-L726 PolarHBondContact O-N 3.32Å | ||
| 717 | H | 58.8 | Low | 62.6 | Low | 60 Ų | 60 | 69 Ų | 69 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | trans | -108.8 | 132.7 | 170.8 | -64.4 | -82.4 | 0 | 0 | 0 | 110.7 | P714 C715 G719 W722 | P714-H717 PolarHBondContact O-CD2 2.84Å; P714-H717 VanDerWaalsContact O-CD2 3.3Å; C715-H717 PolarHBondContact O-N 3.06Å; H717-G719 VanDerWaalsContact C-N 3.35Å; H717-W722 PolarHBondContact ND1-O 3.16Å | ||
| 718 | I | 51.7 | Low | 62.7 | Low | 26 Ų | 26 | 70.3 Ų | 70.3 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -87.1 | -5.2 | 174.3 | -67.9 | 165.8 | 0 | 0 | 0 | 111.9 | M661 W722 L726 L734 | M661-I718 HydrophobicContact CB-CG1 3.64Å; M661-I718 HydrophobicContact CG-CG1 4.47Å; I718-W722 HydrophobicContact CB-CE3 3.79Å; I718-W722 HydrophobicContact CB-CH2 4.41Å; I718-W722 HydrophobicContact CB-CZ3 3.69Å; I718-W722 HydrophobicContact CD1-CE3 4.49Å; I718-W722 HydrophobicContact CD1-CZ3 3.82Å; I718-W722 HydrophobicContact CG1-CZ3 4.34Å; I718-W722 HydrophobicContact CG2-CE3 4.32Å; I718-W722 HydrophobicContact CG2-CH2 4.09Å; I718-W722 HydrophobicContact CG2-CZ3 3.87Å; I718-L726 HydrophobicContact CD1-CD1 3.42Å; I718-L726 VanDerWaalsContact CD1-CD1 3.42Å; I718-L726 HydrophobicContact CD1-CD2 3.73Å; I718-L726 HydrophobicContact CD1-CG 4.19Å; I718-L726 HydrophobicContact CG1-CD1 4.39Å; I718-L726 HydrophobicContact CG1-CD2 4.24Å; I718-L734 HydrophobicContact CD1-CB 4.37Å; I718-L734 HydrophobicContact CD1-CD1 3.9Å; I718-L734 HydrophobicContact CD1-CD2 3.25Å; I718-L734 HydrophobicContact CD1-CG 4Å; I718-L734 HydrophobicContact CG1-CD2 3.8Å |
| 719 | G | 51 | Low | 62.8 | Low | 23 Ų | 23 | 71 Ų | 71 | 24% | 0.237 | 36% | 0.359 | C | S | . | . | trans | -166.4 | 159.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | H717 L721 W722 | H717-G719 VanDerWaalsContact C-N 3.35Å; G719-L721 PolarHBondContact O-N 3.45Å; G719-L721 VanDerWaalsContact O-N 3.1Å; G719-W722 PolarHBondContact O-N 3.33Å | ||
| 720 | I | 46.1 | Very low | 63.1 | Low | 104 Ų | 104 | 69.4 Ų | 69.4 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.9 | 168.5 | -64.8 | 101.7 | 0 | 0 | 0 | 111.4 | I617 P618 | I617-I720 HydrophobicContact CG1-CG1 4.46Å; P618-I720 HydrophobicContact CG-CD1 3.17Å |
| 721 | L | 39.8 | Very low | 63.7 | Low | 158 Ų | 158 | 68.3 Ų | 68.3 | 83% | 0.827 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -10 | -175.6 | -65 | 169.7 | 0 | 0 | 0 | 114.2 | G719 | G719-L721 PolarHBondContact O-N 3.45Å; G719-L721 VanDerWaalsContact O-N 3.1Å |
| 722 | W | 41.2 | Very low | 64.6 | Low | 138 Ų | 138 | 72.1 Ų | 72.1 | 52% | 0.523 | 36% | 0.362 | S | S | . | . | trans | -101.2 | 89.6 | 178.4 | -63.8 | -0.3 | 0 | 0 | 0 | 108.9 | H717 I718 G719 T724 | H717-W722 PolarHBondContact ND1-O 3.16Å; I718-W722 HydrophobicContact CB-CE3 3.79Å; I718-W722 HydrophobicContact CB-CH2 4.41Å; I718-W722 HydrophobicContact CB-CZ3 3.69Å; I718-W722 HydrophobicContact CD1-CE3 4.49Å; I718-W722 HydrophobicContact CD1-CZ3 3.82Å; I718-W722 HydrophobicContact CG1-CZ3 4.34Å; I718-W722 HydrophobicContact CG2-CE3 4.32Å; I718-W722 HydrophobicContact CG2-CH2 4.09Å; I718-W722 HydrophobicContact CG2-CZ3 3.87Å; G719-W722 PolarHBondContact O-N 3.33Å; W722-T724 PolarHBondContact O-N 3.47Å | ||
| 723 | D | 48.8 | Very low | 65.9 | Low | 152 Ų | 152 | 68.2 Ų | 68.2 | 81% | 0.813 | 35% | 0.353 | S | S | * | . | trans | -62 | -2.6 | 171.2 | -81.1 | -22.8 | 0 | 0 | 0 | 113.2 | ||||
| 724 | T | 59.5 | Low | 67.5 | Low | 100 Ų | 100 | 68.7 Ų | 68.7 | 61% | 0.613 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -107.2 | 135.7 | -177 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | W722 | W722-T724 PolarHBondContact O-N 3.47Š|
| 725 | W | 64.8 | Low | 69.2 | Low | 157 Ų | 157 | 66.1 Ų | 66.1 | 60% | 0.595 | 34% | 0.338 | S | S | * | . | trans | -52 | 137.1 | 172.2 | -61 | 74.4 | 0 | 0 | 0 | 111.9 | N711 S727 | N711-W725 VanDerWaalsContact O-CZ3 3.23Å; N711-W725 WeakPolarHBondContact O-CZ3 3.49Å; W725-S727 PolarHBondContact O-N 3.05Å | ||
| 726 | L | 80.2 | Confident | 70.5 | Confident | 7 Ų | 7 | 73.3 Ų | 73.3 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | trans | -69 | 114.2 | 174 | -172.3 | 65.8 | 0 | 0 | 0 | 110.2 | M661 Y707 F716 I718 N730 Y731 L734 | M661-L726 HydrophobicContact CG-CD2 4.3Å; Y707-L726 PolarHBondContact OH-O 3.32Å; F716-L726 WeakPolarHBondContact O-CB 3.35Å; F716-L726 PolarHBondContact O-N 3.32Å; I718-L726 HydrophobicContact CD1-CD1 3.42Å; I718-L726 VanDerWaalsContact CD1-CD1 3.42Å; I718-L726 HydrophobicContact CD1-CD2 3.73Å; I718-L726 HydrophobicContact CD1-CG 4.19Å; I718-L726 HydrophobicContact CG1-CD1 4.39Å; I718-L726 HydrophobicContact CG1-CD2 4.24Å; L726-N730 HydrophobicContact CD1-CB 3.49Å; L726-N730 VanDerWaalsContact CD1-CB 3.49Å; L726-N730 HydrophobicContact CG-CB 4.3Å; L726-Y731 HydrophobicContact CD2-CD2 3.98Å; L726-Y731 HydrophobicContact CD2-CG 4.37Å; L726-L734 HydrophobicContact CD2-CD2 4.23Å | ||
| 727 | S | 85 | Confident | 71.9 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | trans | -64 | 155.2 | 173.7 | 71.4 | 0 | 0 | 0 | 0 | 111 | W725 D729 N730 Y731 | W725-S727 PolarHBondContact O-N 3.05Å; S727-D729 VanDerWaalsContact C-N 3.28Å; S727-D729 PolarHBondContact O-N 2.88Å; S727-N730 PolarHBondContact O-N 3.38Å; S727-N730 VanDerWaalsContact OG-CB 3.31Å; S727-N730 WeakPolarHBondContact OG-CB 3.1Å; S727-N730 PolarHBondContact OG-N 3.14Å; S727-N730 PolarHBondContact OG-ND2 3.27Å; S727-Y731 PolarHBondContact O-N 3.25Å | ||
| 728 | Y | 87.7 | Confident | 73.3 | Confident | 28 Ų | 28 | 73 Ų | 73 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.4 | -43.6 | 177.4 | 176.9 | -117.8 | 0 | 0 | 0 | 112.2 | H701 S703 Q704 Y707 N730 Y731 R732 | H701-Y728 PolarHBondContact O-OH 2.93Å; S703-Y728 WeakPolarHBondContact CA-OH 3.45Å; Q704-Y728 HydrophobicContact CB-CD1 3.69Å; Q704-Y728 HydrophobicContact CB-CD2 4.38Å; Q704-Y728 HydrophobicContact CB-CE1 3.69Å; Q704-Y728 HydrophobicContact CB-CE2 4.37Å; Q704-Y728 HydrophobicContact CB-CG 4.03Å; Q704-Y728 HydrophobicContact CG-CD1 3.89Å; Q704-Y728 HydrophobicContact CG-CE1 4.4Å; Q704-Y728 HydrophobicContact CG-CG 3.96Å; Q704-Y728 VanDerWaalsContact N-CZ 3.33Å; Q704-Y728 PolarHBondContact N-OH 3.01Å; Y707-Y728 AromaticContact CD1-CD2 3.78Å; Y707-Y728 HydrophobicContact CD1-CD2 3.78Å; Y707-Y728 HydrophobicContact CD1-CG 4.3Å; Y707-Y728 HydrophobicContact CD2-CD2 4.19Å; Y707-Y728 AromaticContact CG-CD2 3.56Å; Y707-Y728 HydrophobicContact CG-CD2 3.56Å; Y707-Y728 HydrophobicContact CG-CE2 4.28Å; Y728-N730 PolarHBondContact O-N 2.94Å; Y728-Y731 WeakPolarHBondContact O-CB 3.32Å; Y728-Y731 PolarHBondContact O-N 3.01Å; Y728-R732 HydrophobicContact CE1-CG 4.49Å; Y728-R732 HydrophobicContact CE2-CG 4.22Å; Y728-R732 WeakPolarHBondContact O-CG 3.34Å; Y728-R732 PolarHBondContact O-N 3.03Å |
| 729 | D | 87.3 | Confident | 75 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 178.4 | -64 | -44.7 | 0 | 0 | 0 | 112.5 | S727 Y731 R732 A733 | S727-D729 VanDerWaalsContact C-N 3.28Å; S727-D729 PolarHBondContact O-N 2.88Å; D729-Y731 VanDerWaalsContact C-N 3.32Å; D729-Y731 PolarHBondContact O-N 3.43Å; D729-R732 PolarHBondContact O-N 3.46Å; D729-A733 PolarHBondContact O-N 3.17Å |
| 730 | N | 88 | Confident | 76.6 | Confident | 95 Ų | 95 | 79.7 Ų | 79.7 | 51% | 0.508 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.8 | -35.5 | 175.7 | -70.7 | -10.5 | 0 | 0 | 0 | 111.5 | L726 S727 Y728 A733 L734 | L726-N730 HydrophobicContact CD1-CB 3.49Å; L726-N730 VanDerWaalsContact CD1-CB 3.49Å; L726-N730 HydrophobicContact CG-CB 4.3Å; S727-N730 PolarHBondContact O-N 3.38Å; S727-N730 VanDerWaalsContact OG-CB 3.31Å; S727-N730 WeakPolarHBondContact OG-CB 3.1Å; S727-N730 PolarHBondContact OG-N 3.14Å; S727-N730 PolarHBondContact OG-ND2 3.27Å; Y728-N730 PolarHBondContact O-N 2.94Å; N730-A733 PolarHBondContact O-N 2.77Å; N730-L734 VanDerWaalsContact O-CB 3.31Å; N730-L734 WeakPolarHBondContact O-CB 3.28Å; N730-L734 PolarHBondContact O-N 2.88Å |
| 731 | Y | 89 | Confident | 78.5 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 172.6 | 172 | -108.8 | 0 | 0 | 0 | 112 | M661 L697 W700 H701 Y707 L726 S727 Y728 D729 A733 L734 L735 | M661-Y731 HydrophobicContact CE-CD2 3.75Å; M661-Y731 HydrophobicContact CE-CE2 3.51Å; M661-Y731 HydrophobicContact SD-CD2 4.24Å; M661-Y731 HydrophobicContact SD-CE2 4.07Å; L697-Y731 WeakPolarHBondContact CA-OH 3.37Å; L697-Y731 PolarHBondContact O-OH 2.92Å; W700-Y731 HydrophobicContact CB-CE1 3.96Å; H701-Y731 HydrophobicContact CB-CE1 4.25Å; Y707-Y731 AromaticContact CD2-CD1 3.59Å; Y707-Y731 HydrophobicContact CD2-CD1 3.59Å; Y707-Y731 HydrophobicContact CD2-CE1 4.04Å; Y707-Y731 AromaticContact CD2-CG 3.95Å; Y707-Y731 HydrophobicContact CD2-CG 3.95Å; Y707-Y731 AromaticContact CE2-CD1 3.52Å; Y707-Y731 HydrophobicContact CE2-CD1 3.52Å; Y707-Y731 AromaticContact CE2-CD2 3.9Å; Y707-Y731 HydrophobicContact CE2-CD2 3.9Å; Y707-Y731 HydrophobicContact CE2-CE1 4.19Å; Y707-Y731 AromaticContact CE2-CG 3.35Å; Y707-Y731 HydrophobicContact CE2-CG 3.35Å; L726-Y731 HydrophobicContact CD2-CD2 3.98Å; L726-Y731 HydrophobicContact CD2-CG 4.37Å; S727-Y731 PolarHBondContact O-N 3.25Å; Y728-Y731 WeakPolarHBondContact O-CB 3.32Å; Y728-Y731 PolarHBondContact O-N 3.01Å; D729-Y731 VanDerWaalsContact C-N 3.32Å; D729-Y731 PolarHBondContact O-N 3.43Å; Y731-A733 VanDerWaalsContact C-N 3.35Å; Y731-A733 PolarHBondContact O-N 3.48Å; Y731-L734 WeakPolarHBondContact O-CB 3.23Å; Y731-L734 PolarHBondContact O-N 2.88Å; Y731-L735 WeakPolarHBondContact O-CB 3.34Å; Y731-L735 PolarHBondContact O-N 3.45Å |
| 732 | R | 87.9 | Confident | 80.6 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.8 | -64.6 | -178.2 | 66.2 | -163.1 | -1.2 | 111.8 | H701 Y728 D729 L734 L735 Y736 | H701-R732 PolarHBondContact NE2-NE 3.45Å; Y728-R732 HydrophobicContact CE1-CG 4.49Å; Y728-R732 HydrophobicContact CE2-CG 4.22Å; Y728-R732 WeakPolarHBondContact O-CG 3.34Å; Y728-R732 PolarHBondContact O-N 3.03Å; D729-R732 PolarHBondContact O-N 3.46Å; R732-L734 VanDerWaalsContact C-N 3.34Å; R732-L735 PolarHBondContact O-N 3.34Å; R732-Y736 WeakPolarHBondContact O-CB 3.5Å; R732-Y736 PolarHBondContact O-N 3.27Å |
| 733 | A | 89 | Confident | 82.4 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D729 N730 Y731 T737 | D729-A733 PolarHBondContact O-N 3.17Å; N730-A733 PolarHBondContact O-N 2.77Å; Y731-A733 VanDerWaalsContact C-N 3.35Å; Y731-A733 PolarHBondContact O-N 3.48Å; A733-T737 PolarHBondContact O-N 3.32Å; A733-T737 PolarHBondContact O-OG1 3.33Å |
| 734 | L | 89 | Confident | 83.9 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 174.3 | -179.4 | 71.4 | 0 | 0 | 0 | 111.7 | M661 I718 L726 N730 Y731 R732 Y736 T737 W738 | M661-L734 HydrophobicContact SD-CD2 4.39Å; I718-L734 HydrophobicContact CD1-CB 4.37Å; I718-L734 HydrophobicContact CD1-CD1 3.9Å; I718-L734 HydrophobicContact CD1-CD2 3.25Å; I718-L734 HydrophobicContact CD1-CG 4Å; I718-L734 HydrophobicContact CG1-CD2 3.8Å; L726-L734 HydrophobicContact CD2-CD2 4.23Å; N730-L734 VanDerWaalsContact O-CB 3.31Å; N730-L734 WeakPolarHBondContact O-CB 3.28Å; N730-L734 PolarHBondContact O-N 2.88Å; Y731-L734 WeakPolarHBondContact O-CB 3.23Å; Y731-L734 PolarHBondContact O-N 2.88Å; R732-L734 VanDerWaalsContact C-N 3.34Å; L734-Y736 VanDerWaalsContact C-N 3.28Å; L734-Y736 PolarHBondContact O-N 3.31Å; L734-T737 CarbonylContact O-C 3.56Å; L734-T737 WeakPolarHBondContact O-CA 3.46Å; L734-T737 VanDerWaalsContact O-CB 3.24Å; L734-T737 WeakPolarHBondContact O-CB 3.35Å; L734-T737 PolarHBondContact O-N 3.21Å; L734-W738 HydrophobicContact CD1-CZ2 3.96Å; L734-W738 HydrophobicContact CD2-CH2 3.49Å; L734-W738 VanDerWaalsContact CD2-CH2 3.49Å; L734-W738 HydrophobicContact CD2-CZ2 3.2Å; L734-W738 HydrophobicContact CD2-CZ3 4.26Å; L734-W738 HydrophobicContact CG-CD2 4.11Å; L734-W738 HydrophobicContact CG-CH2 4.09Å; L734-W738 HydrophobicContact CG-CZ2 3.52Å; L734-W738 PolarHBondContact O-N 2.96Å |
| 735 | L | 88.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 179.2 | -175.2 | 62 | 0 | 0 | 0 | 111.3 | F694 L697 L698 H701 Y731 R732 T737 W738 Q739 | F694-L735 HydrophobicContact CD1-CD1 4.28Å; F694-L735 HydrophobicContact CE1-CD1 3.89Å; L697-L735 HydrophobicContact CB-CD1 3.89Å; L697-L735 HydrophobicContact CD1-CD1 4.25Å; L698-L735 HydrophobicContact CD2-CD2 4.02Å; H701-L735 HydrophobicContact CB-CD2 3.66Å; Y731-L735 WeakPolarHBondContact O-CB 3.34Å; Y731-L735 PolarHBondContact O-N 3.45Å; R732-L735 PolarHBondContact O-N 3.34Å; L735-T737 VanDerWaalsContact C-N 3.33Å; L735-T737 PolarHBondContact O-N 3.42Å; L735-W738 HydrophobicContact CD1-CE3 3.93Å; L735-W738 HydrophobicContact CD1-CZ3 4.44Å; L735-W738 PolarHBondContact O-N 3.36Å; L735-Q739 WeakPolarHBondContact O-CG 3.34Å; L735-Q739 PolarHBondContact O-N 3.5Å |
| 736 | Y | 87 | Confident | 85.5 | Confident | 153 Ų | 153 | 57.9 Ų | 57.9 | 60% | 0.6 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 171.9 | 179.4 | -97.8 | 0 | 0 | 0 | 112 | R732 L734 W738 Q739 F740 | R732-Y736 WeakPolarHBondContact O-CB 3.5Å; R732-Y736 PolarHBondContact O-N 3.27Å; L734-Y736 VanDerWaalsContact C-N 3.28Å; L734-Y736 PolarHBondContact O-N 3.31Å; Y736-W738 VanDerWaalsContact C-N 3.34Å; Y736-W738 PolarHBondContact O-N 3.09Å; Y736-Q739 PolarHBondContact O-N 3.17Å; Y736-F740 WeakPolarHBondContact O-CB 3.45Å; Y736-F740 PolarHBondContact O-N 3.29Å |
| 737 | T | 88.7 | Confident | 85.2 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 176 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | A733 L734 L735 F740 R741 | A733-T737 PolarHBondContact O-N 3.32Å; A733-T737 PolarHBondContact O-OG1 3.33Å; L734-T737 CarbonylContact O-C 3.56Å; L734-T737 WeakPolarHBondContact O-CA 3.46Å; L734-T737 VanDerWaalsContact O-CB 3.24Å; L734-T737 WeakPolarHBondContact O-CB 3.35Å; L734-T737 PolarHBondContact O-N 3.21Å; L735-T737 VanDerWaalsContact C-N 3.33Å; L735-T737 PolarHBondContact O-N 3.42Å; T737-F740 PolarHBondContact O-N 3.03Å; T737-R741 WeakPolarHBondContact O-CG 3.41Å; T737-R741 PolarHBondContact O-N 3.5Å |
| 738 | W | 88.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.2 | -62.2 | -21 | 0 | 0 | 0 | 112.3 | M661 Y664 D665 F668 L697 L734 L735 Y736 F740 R741 I742 | M661-W738 HydrophobicContact SD-CH2 3.7Å; M661-W738 HydrophobicContact SD-CZ3 4.41Å; Y664-W738 HydrophobicContact CG-CH2 4.47Å; D665-W738 HydrophobicContact CB-CZ2 4.03Å; D665-W738 PolarHBondContact OD1-NE1 3.34Å; F668-W738 HydrophobicContact CB-CB 4.28Å; F668-W738 HydrophobicContact CB-CG 4.34Å; F668-W738 HydrophobicContact CD2-CB 3.86Å; F668-W738 AromaticContact CD2-CD2 3.79Å; F668-W738 HydrophobicContact CD2-CD2 3.79Å; F668-W738 AromaticContact CD2-CE3 3.97Å; F668-W738 HydrophobicContact CD2-CE3 3.97Å; F668-W738 AromaticContact CD2-CG 3.77Å; F668-W738 HydrophobicContact CD2-CG 3.77Å; F668-W738 HydrophobicContact CE2-CD2 4.33Å; F668-W738 HydrophobicContact CE2-CE3 4.03Å; F668-W738 HydrophobicContact CG-CB 4.41Å; L697-W738 HydrophobicContact CD1-CE3 4.14Å; L697-W738 HydrophobicContact CD1-CZ3 3.93Å; L697-W738 HydrophobicContact CD2-CZ3 4.25Å; L734-W738 HydrophobicContact CD1-CZ2 3.96Å; L734-W738 HydrophobicContact CD2-CH2 3.49Å; L734-W738 VanDerWaalsContact CD2-CH2 3.49Å; L734-W738 HydrophobicContact CD2-CZ2 3.2Å; L734-W738 HydrophobicContact CD2-CZ3 4.26Å; L734-W738 HydrophobicContact CG-CD2 4.11Å; L734-W738 HydrophobicContact CG-CH2 4.09Å; L734-W738 HydrophobicContact CG-CZ2 3.52Å; L734-W738 PolarHBondContact O-N 2.96Å; L735-W738 HydrophobicContact CD1-CE3 3.93Å; L735-W738 HydrophobicContact CD1-CZ3 4.44Å; L735-W738 PolarHBondContact O-N 3.36Å; Y736-W738 VanDerWaalsContact C-N 3.34Å; Y736-W738 PolarHBondContact O-N 3.09Å; W738-F740 VanDerWaalsContact C-N 3.29Å; W738-F740 PolarHBondContact O-N 3.36Å; W738-R741 PolarHBondContact O-N 3.16Å; W738-I742 WeakPolarHBondContact O-CG1 3.47Å; W738-I742 PolarHBondContact O-N 3.19Å |
| 739 | Q | 87.7 | Confident | 84 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 174.3 | -71.3 | 173.9 | -12.2 | 0 | 0 | 111.7 | F694 L735 Y736 T743 | F694-Q739 HydrophobicContact CE1-CG 3.81Å; L735-Q739 WeakPolarHBondContact O-CG 3.34Å; L735-Q739 PolarHBondContact O-N 3.5Å; Y736-Q739 PolarHBondContact O-N 3.17Å; Q739-T743 WeakPolarHBondContact O-CB 3.34Å; Q739-T743 PolarHBondContact O-N 3.4Å; Q739-T743 PolarHBondContact O-OG1 3.18Å |
| 740 | F | 83.9 | Confident | 82.9 | Confident | 118 Ų | 118 | 56.4 Ų | 56.4 | 52% | 0.518 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 176.3 | 179.8 | -96.1 | 0 | 0 | 0 | 112.1 | Y736 T737 W738 T743 R744 | Y736-F740 WeakPolarHBondContact O-CB 3.45Å; Y736-F740 PolarHBondContact O-N 3.29Å; T737-F740 PolarHBondContact O-N 3.03Å; W738-F740 VanDerWaalsContact C-N 3.29Å; W738-F740 PolarHBondContact O-N 3.36Å; F740-T743 PolarHBondContact O-N 3.49Å; F740-R744 WeakPolarHBondContact O-CB 3.47Å; F740-R744 PolarHBondContact O-N 3.03Å |
| 741 | R | 86.5 | Confident | 81.7 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 176.4 | -73.2 | 179.7 | -172.2 | 164.9 | 5.9 | 111.6 | D665 F668 T737 W738 T743 R744 S745 | D665-R741 PolarHBondContact O-NH1 3.27Å; D665-R741 IonicContact OD1-CZ 3.25Å; D665-R741 IonicContact OD1-NH1 2.81Å; D665-R741 PolarHBondContact OD1-NH1 3.01Å; D665-R741 IonicContact OD1-NH2 2.66Å; D665-R741 PolarHBondContact OD1-NH2 3.28Å; D665-R741 IonicContact OD2-NH1 2.89Å; F668-R741 WeakPolarHBondContact O-CB 3.42Å; F668-R741 WeakPolarHBondContact O-CD 3.47Å; T737-R741 WeakPolarHBondContact O-CG 3.41Å; T737-R741 PolarHBondContact O-N 3.5Å; W738-R741 PolarHBondContact O-N 3.16Å; R741-T743 PolarHBondContact O-N 2.93Å; R741-R744 WeakPolarHBondContact O-CB 3.24Å; R741-R744 PolarHBondContact O-N 3.34Å; R741-S745 PolarHBondContact O-N 3.31Å; R741-S745 PolarHBondContact O-OG 2.99Å |
| 742 | I | 83.3 | Confident | 80.3 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 177 | -68.1 | 168.1 | 0 | 0 | 0 | 110.6 | F668 I671 F690 F694 W738 R744 S745 M746 | F668-I742 HydrophobicContact CB-CG1 4.49Å; F668-I742 HydrophobicContact CD1-CD1 3.89Å; F668-I742 HydrophobicContact CD1-CG1 4.43Å; F668-I742 HydrophobicContact CE1-CD1 4.28Å; F668-I742 HydrophobicContact CG-CD1 4.17Å; I671-I742 HydrophobicContact CD1-CB 4.46Å; I671-I742 HydrophobicContact CD1-CG1 4.15Å; I671-I742 HydrophobicContact CD1-CG2 4.13Å; F690-I742 HydrophobicContact CD1-CD1 4.04Å; F690-I742 HydrophobicContact CE1-CD1 3.85Å; F690-I742 HydrophobicContact CE1-CG1 4.19Å; F694-I742 HydrophobicContact CE2-CD1 3.31Å; F694-I742 HydrophobicContact CZ-CD1 3.32Å; W738-I742 WeakPolarHBondContact O-CG1 3.47Å; W738-I742 PolarHBondContact O-N 3.19Å; I742-R744 VanDerWaalsContact C-N 3.3Å; I742-R744 PolarHBondContact O-N 3Å; I742-S745 PolarHBondContact O-N 3.47Å; I742-M746 HydrophobicContact CG2-CE 4.48Å; I742-M746 HydrophobicContact CG2-CG 4.37Å; I742-M746 VanDerWaalsContact O-CG 3.28Å; I742-M746 WeakPolarHBondContact O-CG 3.46Å; I742-M746 PolarHBondContact O-N 3.11Å |
| 743 | T | 79.4 | Confident | 78.5 | Confident | 68 Ų | 68 | 66 Ų | 66 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | Q739 F740 R741 M746 L747 | Q739-T743 WeakPolarHBondContact O-CB 3.34Å; Q739-T743 PolarHBondContact O-N 3.4Å; Q739-T743 PolarHBondContact O-OG1 3.18Å; F740-T743 PolarHBondContact O-N 3.49Å; R741-T743 PolarHBondContact O-N 2.93Å; T743-M746 PolarHBondContact O-N 3.05Å; T743-L747 HydrophobicContact CG2-CD1 4.28Å; T743-L747 WeakPolarHBondContact O-CG 3.27Å; T743-L747 PolarHBondContact O-N 3.34Å |
| 744 | R | 80.7 | Confident | 76.6 | Confident | 145 Ų | 145 | 66 Ų | 66 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176 | -165.6 | -174 | 90.9 | 176.3 | 5.7 | 112 | F740 R741 I742 M746 L747 T748 | F740-R744 WeakPolarHBondContact O-CB 3.47Å; F740-R744 PolarHBondContact O-N 3.03Å; R741-R744 WeakPolarHBondContact O-CB 3.24Å; R741-R744 PolarHBondContact O-N 3.34Å; I742-R744 VanDerWaalsContact C-N 3.3Å; I742-R744 PolarHBondContact O-N 3Å; R744-M746 VanDerWaalsContact C-N 3.34Å; R744-L747 PolarHBondContact O-N 3.37Å; R744-T748 PolarHBondContact O-N 2.94Å; R744-T748 PolarHBondContact O-OG1 3.35Å |
| 745 | S | 79.7 | Confident | 74.5 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.2 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | D670 I671 R741 I742 T748 C749 | D670-S745 PolarHBondContact OD1-OG 3.15Å; I671-S745 PolarHBondContact N-OG 3.45Å; R741-S745 PolarHBondContact O-N 3.31Å; R741-S745 PolarHBondContact O-OG 2.99Å; I742-S745 PolarHBondContact O-N 3.47Å; S745-T748 VanDerWaalsContact O-CB 3.32Å; S745-T748 WeakPolarHBondContact O-CB 3.19Å; S745-T748 PolarHBondContact O-N 3.31Å; S745-T748 VanDerWaalsContact O-N 3.17Å; S745-C749 PolarHBondContact O-N 3.41Å; S745-C749 PolarHBondContact O-SG 3.03Å |
| 746 | M | 77.2 | Confident | 72.4 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 26% | 0.261 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.6 | -65.1 | -63.9 | 149.6 | 0 | 0 | 112.7 | I671 V675 I742 T743 R744 T748 C749 L750 | I671-M746 HydrophobicContact CD1-CE 3.48Å; I671-M746 VanDerWaalsContact CD1-CE 3.48Å; I671-M746 HydrophobicContact CG1-CE 4.29Å; V675-M746 HydrophobicContact CG2-CE 3.88Å; I742-M746 HydrophobicContact CG2-CE 4.48Å; I742-M746 HydrophobicContact CG2-CG 4.37Å; I742-M746 VanDerWaalsContact O-CG 3.28Å; I742-M746 WeakPolarHBondContact O-CG 3.46Å; I742-M746 PolarHBondContact O-N 3.11Å; T743-M746 PolarHBondContact O-N 3.05Å; R744-M746 VanDerWaalsContact C-N 3.34Å; M746-T748 VanDerWaalsContact C-N 3.29Å; M746-T748 PolarHBondContact O-N 3.43Å; M746-C749 PolarHBondContact O-N 3.15Å; M746-L750 WeakPolarHBondContact O-CG 3.4Å; M746-L750 PolarHBondContact O-N 3.04Å |
| 747 | L | 74.8 | Confident | 70.1 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 172.3 | -72.9 | 172.2 | 0 | 0 | 0 | 111.5 | T743 R744 L750 M751 | T743-L747 HydrophobicContact CG2-CD1 4.28Å; T743-L747 WeakPolarHBondContact O-CG 3.27Å; T743-L747 PolarHBondContact O-N 3.34Å; R744-L747 PolarHBondContact O-N 3.37Å; L747-L750 HydrophobicContact CD2-CD1 4.42Å; L747-L750 PolarHBondContact O-N 3.32Å; L747-M751 VanDerWaalsContact O-CG 3.3Å; L747-M751 WeakPolarHBondContact O-CG 3.38Å; L747-M751 PolarHBondContact O-N 3.16Å |
| 748 | T | 76 | Confident | 67.6 | Low | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.5 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | A672 R744 S745 M746 L750 M751 E752 | A672-T748 HydrophobicContact CB-CG2 4.41Å; R744-T748 PolarHBondContact O-N 2.94Å; R744-T748 PolarHBondContact O-OG1 3.35Å; S745-T748 VanDerWaalsContact O-CB 3.32Å; S745-T748 WeakPolarHBondContact O-CB 3.19Å; S745-T748 PolarHBondContact O-N 3.31Å; S745-T748 VanDerWaalsContact O-N 3.17Å; M746-T748 VanDerWaalsContact C-N 3.29Å; M746-T748 PolarHBondContact O-N 3.43Å; T748-L750 VanDerWaalsContact C-N 3.28Å; T748-L750 PolarHBondContact O-N 3.03Å; T748-M751 PolarHBondContact O-N 3.15Å; T748-E752 PolarHBondContact O-N 3.25Å |
| 749 | C | 72.4 | Confident | 65.2 | Low | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 174.5 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | L676 S745 M746 S757 | L676-C749 HydrophobicContact CD2-CB 4.27Å; S745-C749 PolarHBondContact O-N 3.41Å; S745-C749 PolarHBondContact O-SG 3.03Å; M746-C749 PolarHBondContact O-N 3.15Å; C749-S757 WeakPolarHBondContact O-CB 3.5Å |
| 750 | L | 62.5 | Low | 62.9 | Low | 50 Ų | 50 | 65.5 Ų | 65.5 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.9 | -28.2 | 178.3 | -79.9 | 165.2 | 0 | 0 | 0 | 114.2 | M746 L747 T748 E752 A761 E765 | M746-L750 WeakPolarHBondContact O-CG 3.4Å; M746-L750 PolarHBondContact O-N 3.04Å; L747-L750 HydrophobicContact CD2-CD1 4.42Å; L747-L750 PolarHBondContact O-N 3.32Å; T748-L750 VanDerWaalsContact C-N 3.28Å; T748-L750 PolarHBondContact O-N 3.03Å; L750-E752 VanDerWaalsContact C-N 3.33Å; L750-A761 HydrophobicContact CD1-CB 4.48Å; L750-A761 HydrophobicContact CD2-CB 3.21Å; L750-A761 HydrophobicContact CG-CB 3.51Å; L750-E765 HydrophobicContact CD1-CG 4.41Å; L750-E765 HydrophobicContact CD2-CB 4.48Å |
| 751 | M | 63.2 | Low | 60.7 | Low | 144 Ų | 144 | 60.3 Ų | 60.3 | 71% | 0.709 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -81.3 | -12.9 | -179.1 | -71.7 | -173.4 | -49.7 | 0 | 0 | 113.3 | L747 T748 | L747-M751 VanDerWaalsContact O-CG 3.3Å; L747-M751 WeakPolarHBondContact O-CG 3.38Å; L747-M751 PolarHBondContact O-N 3.16Å; T748-M751 PolarHBondContact O-N 3.15Å |
| 752 | E | 59.3 | Low | 58.3 | Low | 93 Ų | 93 | 61.1 Ų | 61.1 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -70.9 | 132.2 | 177.2 | -72.6 | -66.5 | 156.1 | 0 | 0 | 111.1 | L676 T748 L750 S754 S757 | L676-E752 HydrophobicContact CD2-CG 4.43Å; T748-E752 PolarHBondContact O-N 3.25Å; L750-E752 VanDerWaalsContact C-N 3.33Å; E752-S754 PolarHBondContact O-N 2.87Å; E752-S757 WeakPolarHBondContact CB-OG 3.48Å |
| 753 | D | 50.1 | Low | 56.2 | Low | 166 Ų | 166 | 63.5 Ų | 63.5 | 89% | 0.888 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -64.2 | -10 | 178.8 | -77 | -33.6 | 0 | 0 | 0 | 113.3 | F755 | D753-F755 PolarHBondContact O-N 3.29Š|
| 754 | S | 48.9 | Very low | 54.3 | Low | 52 Ų | 52 | 65.4 Ų | 65.4 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | trans | -73.8 | 123.6 | 179.6 | 122 | 0 | 0 | 0 | 0 | 110.8 | E752 I756 S757 I758 | E752-S754 PolarHBondContact O-N 2.87Å; S754-I756 PolarHBondContact O-N 3.33Å; S754-I756 VanDerWaalsContact O-N 3.1Å; S754-S757 WeakPolarHBondContact O-CB 3.37Å; S754-S757 PolarHBondContact O-N 3.07Å; S754-S757 PolarHBondContact O-OG 3.39Å; S754-S757 PolarHBondContact OG-N 2.76Å; S754-S757 PolarHBondContact OG-OG 3.3Å; S754-I758 PolarHBondContact O-N 3.38Å; S754-I758 VanDerWaalsContact O-N 3.15Å | ||
| 755 | F | 44.9 | Very low | 52.3 | Low | 121 Ų | 121 | 60.5 Ų | 60.5 | 53% | 0.531 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.6 | -26.2 | 176.5 | -178.9 | -89.7 | 0 | 0 | 0 | 113 | K451 D753 I758 A759 | K451-F755 HydrophobicContact CD-CE1 4.17Å; D753-F755 PolarHBondContact O-N 3.29Å; F755-I758 CarbonylContact O-C 3.56Å; F755-I758 PolarHBondContact O-N 2.71Å; F755-A759 HydrophobicContact CD1-CB 4.42Å; F755-A759 HydrophobicContact CE1-CB 4.07Å; F755-A759 WeakPolarHBondContact O-CB 3.29Å; F755-A759 PolarHBondContact O-N 3.01Å |
| 756 | I | 44.5 | Very low | 50.1 | Low | 51 Ų | 51 | 63 Ų | 63 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 175.2 | -69.6 | 165.1 | 0 | 0 | 0 | 109.9 | V450 S754 I758 A759 T760 | V450-I756 HydrophobicContact CB-CD1 3.59Å; V450-I756 HydrophobicContact CG1-CD1 3.27Å; S754-I756 PolarHBondContact O-N 3.33Å; S754-I756 VanDerWaalsContact O-N 3.1Å; I756-I758 VanDerWaalsContact C-N 3.25Å; I756-I758 PolarHBondContact O-N 3.25Å; I756-A759 PolarHBondContact O-N 3.39Å; I756-T760 VanDerWaalsContact O-CB 3.29Å; I756-T760 WeakPolarHBondContact O-CB 3.15Å; I756-T760 PolarHBondContact O-N 3.32Å; I756-T760 PolarHBondContact O-OG1 3.47Å |
| 757 | S | 40.1 | Very low | 48.2 | Very low | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 176.6 | -34.8 | 0 | 0 | 0 | 0 | 110.9 | L676 C749 E752 S754 A761 | L676-S757 VanDerWaalsContact CD2-OG 3.24Å; L676-S757 WeakPolarHBondContact CD2-OG 3.49Å; C749-S757 WeakPolarHBondContact O-CB 3.5Å; E752-S757 WeakPolarHBondContact CB-OG 3.48Å; S754-S757 WeakPolarHBondContact O-CB 3.37Å; S754-S757 PolarHBondContact O-N 3.07Å; S754-S757 PolarHBondContact O-OG 3.39Å; S754-S757 PolarHBondContact OG-N 2.76Å; S754-S757 PolarHBondContact OG-OG 3.3Å; S757-A761 WeakPolarHBondContact O-CB 3.35Å; S757-A761 PolarHBondContact O-N 3.23Å |
| 758 | I | 35.8 | Very low | 46.7 | Very low | 59 Ų | 59 | 66.3 Ų | 66.3 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 174.4 | -63.7 | 172.9 | 0 | 0 | 0 | 111.6 | S754 F755 I756 A761 L762 | S754-I758 PolarHBondContact O-N 3.38Å; S754-I758 VanDerWaalsContact O-N 3.15Å; F755-I758 CarbonylContact O-C 3.56Å; F755-I758 PolarHBondContact O-N 2.71Å; I756-I758 VanDerWaalsContact C-N 3.25Å; I756-I758 PolarHBondContact O-N 3.25Å; I758-A761 CarbonylContact O-C 3.51Å; I758-A761 PolarHBondContact O-N 3.19Å; I758-L762 HydrophobicContact CG2-CD1 3.31Å; I758-L762 HydrophobicContact CG2-CG 3.65Å; I758-L762 WeakPolarHBondContact O-CA 3.36Å; I758-L762 WeakPolarHBondContact O-CB 3.45Å; I758-L762 WeakPolarHBondContact O-CG 3.25Å; I758-L762 PolarHBondContact O-N 3.4Å |
| 759 | A | 38 | Very low | 44.9 | Very low | 32 Ų | 32 | 69 Ų | 69 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.5 | -44.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | F755 I756 A761 L762 A763 | F755-A759 HydrophobicContact CD1-CB 4.42Å; F755-A759 HydrophobicContact CE1-CB 4.07Å; F755-A759 WeakPolarHBondContact O-CB 3.29Å; F755-A759 PolarHBondContact O-N 3.01Å; I756-A759 PolarHBondContact O-N 3.39Å; A759-A761 PolarHBondContact O-N 3.03Å; A759-L762 PolarHBondContact O-N 3.22Å; A759-A763 PolarHBondContact O-N 3.49Å |
| 760 | T | 39.8 | Very low | 43.2 | Very low | 19 Ų | 19 | 72.6 Ų | 72.6 | 12% | 0.117 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -30.8 | 173 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | V675 A683 I756 N764 | V675-T760 HydrophobicContact CG1-CG2 3.77Å; A683-T760 HydrophobicContact CB-CG2 3.72Å; I756-T760 VanDerWaalsContact O-CB 3.29Å; I756-T760 WeakPolarHBondContact O-CB 3.15Å; I756-T760 PolarHBondContact O-N 3.32Å; I756-T760 PolarHBondContact O-OG1 3.47Å; T760-N764 PolarHBondContact O-ND2 3.48Å |
| 761 | A | 36.6 | Very low | 42.1 | Very low | 8 Ų | 8 | 77 Ų | 77 | 7% | 0.066 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -90.8 | -28.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L750 S757 I758 A759 N764 E765 | L750-A761 HydrophobicContact CD1-CB 4.48Å; L750-A761 HydrophobicContact CD2-CB 3.21Å; L750-A761 HydrophobicContact CG-CB 3.51Å; S757-A761 WeakPolarHBondContact O-CB 3.35Å; S757-A761 PolarHBondContact O-N 3.23Å; I758-A761 CarbonylContact O-C 3.51Å; I758-A761 PolarHBondContact O-N 3.19Å; A759-A761 PolarHBondContact O-N 3.03Å; A761-N764 CarbonylContact O-C 3.59Å; A761-N764 WeakPolarHBondContact O-CA 3.28Å; A761-N764 WeakPolarHBondContact O-CB 3.48Å; A761-N764 PolarHBondContact O-N 3.48Å; A761-E765 WeakPolarHBondContact O-CB 3.15Å; A761-E765 PolarHBondContact O-N 3.13Å |
| 762 | L | 36.9 | Very low | 41.4 | Very low | 76 Ų | 76 | 73.1 Ų | 73.1 | 40% | 0.398 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.1 | -27.7 | 179.3 | -84.3 | 175.8 | 0 | 0 | 0 | 112.3 | I758 A759 N764 E765 A766 | I758-L762 HydrophobicContact CG2-CD1 3.31Å; I758-L762 HydrophobicContact CG2-CG 3.65Å; I758-L762 WeakPolarHBondContact O-CA 3.36Å; I758-L762 WeakPolarHBondContact O-CB 3.45Å; I758-L762 WeakPolarHBondContact O-CG 3.25Å; I758-L762 PolarHBondContact O-N 3.4Å; A759-L762 PolarHBondContact O-N 3.22Å; L762-N764 PolarHBondContact O-N 2.87Å; L762-N764 VanDerWaalsContact O-N 3.16Å; L762-E765 PolarHBondContact O-N 2.9Å; L762-A766 WeakPolarHBondContact O-CB 3.37Å; L762-A766 PolarHBondContact O-N 3.02Å |
| 763 | A | 39.1 | Very low | 40.5 | Very low | 75 Ų | 75 | 72.5 Ų | 72.5 | 62% | 0.62 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -53.9 | -27.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A759 | A759-A763 PolarHBondContact O-N 3.49Å |
| 764 | N | 40.3 | Very low | 40 | Very low | 109 Ų | 109 | 73.2 Ų | 73.2 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -103.2 | -29.8 | 179.1 | -65.3 | -45.4 | 0 | 0 | 0 | 113.8 | T760 A761 L762 | T760-N764 PolarHBondContact O-ND2 3.48Å; A761-N764 CarbonylContact O-C 3.59Å; A761-N764 WeakPolarHBondContact O-CA 3.28Å; A761-N764 WeakPolarHBondContact O-CB 3.48Å; A761-N764 PolarHBondContact O-N 3.48Å; L762-N764 PolarHBondContact O-N 2.87Å; L762-N764 VanDerWaalsContact O-N 3.16Å |
| 765 | E | 38.4 | Very low | 39.8 | Very low | 41 Ų | 41 | 78.3 Ų | 78.3 | 19% | 0.192 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -96.7 | -19.2 | -168.8 | -159.5 | 62.8 | -165.8 | 0 | 0 | 114.8 | L750 A761 L762 A767 R768 | L750-E765 HydrophobicContact CD1-CG 4.41Å; L750-E765 HydrophobicContact CD2-CB 4.48Å; A761-E765 WeakPolarHBondContact O-CB 3.15Å; A761-E765 PolarHBondContact O-N 3.13Å; L762-E765 PolarHBondContact O-N 2.9Å; E765-A767 PolarHBondContact O-N 3.46Å; E765-R768 PolarHBondContact O-N 3.13Å; E765-R768 WeakPolarHBondContact OE1-CD 3.32Å; E765-R768 IonicContact OE1-CZ 3.67Å; E765-R768 IonicContact OE1-NE 3.21Å; E765-R768 IonicContact OE1-NH1 3.05Å; E765-R768 PolarHBondContact OE1-NH1 3.38Å; E765-R768 VanDerWaalsContact OE1-NH1 3.09Å; E765-R768 IonicContact OE2-CZ 3.69Å; E765-R768 VanDerWaalsContact OE2-CZ 3.31Å; E765-R768 IonicContact OE2-NE 2.96Å; E765-R768 IonicContact OE2-NH1 3.93Å; E765-R768 PolarHBondContact OE2-NH1 3.49Å |
| 766 | A | 33.1 | Very low | 40.2 | Very low | 54 Ų | 54 | 78.4 Ų | 78.4 | 45% | 0.446 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.9 | -21.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L762 R768 | L762-A766 WeakPolarHBondContact O-CB 3.37Å; L762-A766 PolarHBondContact O-N 3.02Å; A766-R768 VanDerWaalsContact C-N 3.27Å; A766-R768 PolarHBondContact O-N 3.03Å |
| 767 | A | 38.3 | Very low | 40.2 | Very low | 59 Ų | 59 | 82.8 Ų | 82.8 | 49% | 0.488 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -25.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E765 | E765-A767 PolarHBondContact O-N 3.46Å |
| 768 | R | 43.2 | Very low | 40.4 | Very low | 127 Ų | 127 | 87.2 Ų | 87.2 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -98.1 | -30.9 | -171.4 | -61.4 | -162.7 | -166.1 | 148.5 | -6.2 | 114.4 | E765 A766 Q770 | E765-R768 PolarHBondContact O-N 3.13Å; E765-R768 WeakPolarHBondContact OE1-CD 3.32Å; E765-R768 IonicContact OE1-CZ 3.67Å; E765-R768 IonicContact OE1-NE 3.21Å; E765-R768 IonicContact OE1-NH1 3.05Å; E765-R768 PolarHBondContact OE1-NH1 3.38Å; E765-R768 VanDerWaalsContact OE1-NH1 3.09Å; E765-R768 IonicContact OE2-CZ 3.69Å; E765-R768 VanDerWaalsContact OE2-CZ 3.31Å; E765-R768 IonicContact OE2-NE 2.96Å; E765-R768 IonicContact OE2-NH1 3.93Å; E765-R768 PolarHBondContact OE2-NH1 3.49Å; A766-R768 VanDerWaalsContact C-N 3.27Å; A766-R768 PolarHBondContact O-N 3.03Å; R768-Q770 VanDerWaalsContact C-N 3.28Å; R768-Q770 PolarHBondContact O-N 2.85Å |
| 769 | I | 36.5 | Very low | 40.8 | Very low | 104 Ų | 104 | 88.8 Ų | 88.8 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.7 | -26.7 | -174.9 | -62.4 | 175.6 | 0 | 0 | 0 | 111.5 | D771 A772 | I769-D771 VanDerWaalsContact C-N 3.32Å; I769-D771 PolarHBondContact O-N 2.97Å; I769-A772 PolarHBondContact O-N 2.95Å |
| 770 | Q | 37.2 | Very low | 40.8 | Very low | 78 Ų | 78 | 92.4 Ų | 92.4 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -60.5 | -37.3 | -177.9 | -169.4 | -151.5 | -46.6 | 0 | 0 | 113.6 | R768 A772 A784 V788 | R768-Q770 VanDerWaalsContact C-N 3.28Å; R768-Q770 PolarHBondContact O-N 2.85Å; Q770-A772 VanDerWaalsContact C-N 3.26Å; Q770-A772 PolarHBondContact O-N 3.45Å; Q770-A784 HydrophobicContact CG-CB 3.92Å; Q770-V788 HydrophobicContact CG-CG2 4.37Å |
| 771 | D | 40 | Very low | 40.9 | Very low | 142 Ų | 142 | 94.2 Ų | 94.2 | 76% | 0.759 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -73.9 | -20.6 | -175.9 | -133.2 | 15.5 | 0 | 0 | 0 | 112.3 | I769 | I769-D771 VanDerWaalsContact C-N 3.32Å; I769-D771 PolarHBondContact O-N 2.97Å |
| 772 | A | 47.4 | Very low | 41 | Very low | 63 Ų | 63 | 98.4 Ų | 98.4 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -88.9 | -13 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | I769 Q770 | I769-A772 PolarHBondContact O-N 2.95Å; Q770-A772 VanDerWaalsContact C-N 3.26Å; Q770-A772 PolarHBondContact O-N 3.45Å |
| 773 | Q | 41.7 | Very low | 41 | Very low | 80 Ų | 80 | 101.4 Ų | 101.4 | 37% | 0.374 | 55% | 0.552 | S | S | . | * | trans | -129.6 | 16.3 | -163.3 | -66.6 | -62 | -56 | 0 | 0 | 115.8 | N775 L776 | Q773-N775 PolarHBondContact O-N 3.32Å; Q773-L776 PolarHBondContact O-N 3.33Å | ||
| 774 | K | 40.5 | Very low | 40.7 | Very low | 181 Ų | 181 | 99.3 Ų | 99.3 | 79% | 0.787 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -21.8 | -175.2 | -154.7 | 172.1 | -174.5 | 174.5 | 0 | 116 | ||
| 775 | N | 43.1 | Very low | 40.3 | Very low | 160 Ų | 160 | 96.2 Ų | 96.2 | 86% | 0.856 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 3.6 | -173.1 | -63.7 | -22.8 | 0 | 0 | 0 | 115.8 | Q773 | Q773-N775 PolarHBondContact O-N 3.32Š|
| 776 | L | 53.4 | Low | 40.2 | Very low | 122 Ų | 122 | 103.9 Ų | 103.9 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -30.7 | -173.4 | -82.7 | 138.5 | 0 | 0 | 0 | 115.1 | Q773 | Q773-L776 PolarHBondContact O-N 3.33Š|
| 777 | R | 44.2 | Very low | 40.6 | Very low | 144 Ų | 144 | 106 Ų | 106 | 54% | 0.543 | 56% | 0.555 | S | S | . | * | trans | -145 | 91.2 | -172.9 | -73.4 | -69 | -69.5 | -92.5 | -5.7 | 113.3 | D779 L780 | R777-D779 VanDerWaalsContact C-N 3.29Å; R777-D779 WeakPolarHBondContact CB-OD1 3.4Å; R777-D779 IonicContact CZ-OD1 4Å; R777-D779 IonicContact CZ-OD2 3.57Å; R777-D779 IonicContact NE-OD1 2.87Å; R777-D779 PolarHBondContact NE-OD1 3.16Å; R777-D779 IonicContact NE-OD2 3.85Å; R777-D779 IonicContact NH2-OD1 3.5Å; R777-D779 IonicContact NH2-OD2 3.66Å; R777-D779 PolarHBondContact NH2-OD2 3.48Å; R777-D779 PolarHBondContact O-N 3.04Å; R777-L780 HydrophobicContact CB-CD1 4.41Å; R777-L780 PolarHBondContact O-N 3.47Å | ||
| 778 | P | 44.2 | Very low | 40.3 | Very low | 99 Ų | 99 | 104.6 Ų | 104.6 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.6 | -16.4 | -175.5 | 24.5 | -31.3 | 0 | 0 | 0 | 115 | S781 | P778-S781 PolarHBondContact O-N 3.37Å; P778-S781 PolarHBondContact O-OG 3.33Å |
| 779 | D | 45 | Very low | 39.8 | Very low | 92 Ų | 92 | 104.4 Ų | 104.4 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 175.3 | 52.9 | -38.1 | 0 | 0 | 0 | 112.6 | R777 | R777-D779 VanDerWaalsContact C-N 3.29Å; R777-D779 WeakPolarHBondContact CB-OD1 3.4Å; R777-D779 IonicContact CZ-OD1 4Å; R777-D779 IonicContact CZ-OD2 3.57Å; R777-D779 IonicContact NE-OD1 2.87Å; R777-D779 PolarHBondContact NE-OD1 3.16Å; R777-D779 IonicContact NE-OD2 3.85Å; R777-D779 IonicContact NH2-OD1 3.5Å; R777-D779 IonicContact NH2-OD2 3.66Å; R777-D779 PolarHBondContact NH2-OD2 3.48Å; R777-D779 PolarHBondContact O-N 3.04Å |
| 780 | L | 39 | Very low | 39.7 | Very low | 108 Ų | 108 | 109 Ų | 109 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -80.2 | -21.9 | 177.2 | -69.4 | 164.9 | 0 | 0 | 0 | 112.4 | R777 V782 L783 A784 | R777-L780 HydrophobicContact CB-CD1 4.41Å; R777-L780 PolarHBondContact O-N 3.47Å; L780-V782 PolarHBondContact O-N 3.39Å; L780-L783 PolarHBondContact O-N 2.99Å; L780-A784 WeakPolarHBondContact O-CB 3.15Å; L780-A784 PolarHBondContact O-N 3.41Å; L780-A784 VanDerWaalsContact O-N 3.07Å |
| 781 | S | 40.2 | Very low | 39.6 | Very low | 57 Ų | 57 | 109.2 Ų | 109.2 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -33.5 | -178.6 | 91.6 | 0 | 0 | 0 | 0 | 112.8 | P778 A785 | P778-S781 PolarHBondContact O-N 3.37Å; P778-S781 PolarHBondContact O-OG 3.33Å; S781-A785 WeakPolarHBondContact O-CA 3.2Å; S781-A785 WeakPolarHBondContact O-CB 3.36Å; S781-A785 PolarHBondContact O-N 3.24Å |
| 782 | V | 39.2 | Very low | 39.2 | Very low | 96 Ų | 96 | 109.3 Ų | 109.3 | 58% | 0.582 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.2 | -35.7 | -178.9 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | L780 R786 | L780-V782 PolarHBondContact O-N 3.39Å; V782-R786 PolarHBondContact O-N 3.05Å |
| 783 | L | 36.8 | Very low | 38.6 | Very low | 138 Ų | 138 | 112.4 Ų | 112.4 | 72% | 0.723 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.8 | -41.9 | 175.4 | -115.7 | 151.4 | 0 | 0 | 0 | 111 | L780 | L780-L783 PolarHBondContact O-N 2.99Å |
| 784 | A | 33.7 | Very low | 38.4 | Very low | 31 Ų | 31 | 112.5 Ų | 112.5 | 26% | 0.256 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.4 | -39.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q770 L780 R786 L787 V788 | Q770-A784 HydrophobicContact CG-CB 3.92Å; L780-A784 WeakPolarHBondContact O-CB 3.15Å; L780-A784 PolarHBondContact O-N 3.41Å; L780-A784 VanDerWaalsContact O-N 3.07Å; A784-R786 PolarHBondContact O-N 2.92Å; A784-L787 PolarHBondContact O-N 3.37Å; A784-V788 WeakPolarHBondContact O-CG2 3.34Å; A784-V788 PolarHBondContact O-N 2.98Å |
| 785 | A | 31.2 | Very low | 38.1 | Very low | 44 Ų | 44 | 111.3 Ų | 111.3 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.7 | -31.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | S781 L787 I789 | S781-A785 WeakPolarHBondContact O-CA 3.2Å; S781-A785 WeakPolarHBondContact O-CB 3.36Å; S781-A785 PolarHBondContact O-N 3.24Å; A785-L787 VanDerWaalsContact C-N 3.28Å; A785-L787 PolarHBondContact O-N 2.98Å; A785-I789 WeakPolarHBondContact O-CD1 3.4Å; A785-I789 WeakPolarHBondContact O-CG1 3.26Å; A785-I789 PolarHBondContact O-N 3.47Å |
| 786 | R | 36.4 | Very low | 37.5 | Very low | 203 Ų | 203 | 113.1 Ų | 113.1 | 77% | 0.766 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.3 | -31.1 | 174.6 | -79.3 | -175.2 | 177.9 | -177.5 | 0.5 | 112.9 | V782 A784 | V782-R786 PolarHBondContact O-N 3.05Å; A784-R786 PolarHBondContact O-N 2.92Å |
| 787 | L | 41.1 | Very low | 36.7 | Very low | 98 Ų | 98 | 114 Ų | 114 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -88.7 | -32 | -179.4 | -150.1 | 77.7 | 0 | 0 | 0 | 112.4 | A784 A785 I789 R790 L791 | A784-L787 PolarHBondContact O-N 3.37Å; A785-L787 VanDerWaalsContact C-N 3.28Å; A785-L787 PolarHBondContact O-N 2.98Å; L787-I789 VanDerWaalsContact C-N 3.26Å; L787-I789 PolarHBondContact O-N 2.94Å; L787-R790 PolarHBondContact O-N 3.24Å; L787-R790 VanDerWaalsContact O-N 3.08Å; L787-L791 PolarHBondContact O-N 2.85Å |
| 788 | V | 32.7 | Very low | 36.2 | Very low | 29 Ų | 29 | 114.5 Ų | 114.5 | 18% | 0.176 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -50.6 | -45.6 | 170.6 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | Q770 A784 R790 L791 M792 | Q770-V788 HydrophobicContact CG-CG2 4.37Å; A784-V788 WeakPolarHBondContact O-CG2 3.34Å; A784-V788 PolarHBondContact O-N 2.98Å; V788-R790 PolarHBondContact O-N 3.29Å; V788-L791 PolarHBondContact O-N 3.24Å; V788-L791 VanDerWaalsContact O-N 3.11Å; V788-M792 HydrophobicContact CG1-CG 3.75Å; V788-M792 HydrophobicContact CG1-SD 3.59Å; V788-M792 VanDerWaalsContact CG1-SD 3.59Å; V788-M792 WeakPolarHBondContact O-CG 3.34Å; V788-M792 PolarHBondContact O-N 3.07Å |
| 789 | I | 32.1 | Very low | 35.6 | Very low | 123 Ų | 123 | 114 Ų | 114 | 63% | 0.631 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.1 | -31.1 | -176.1 | -68.4 | 165.4 | 0 | 0 | 0 | 110.7 | A785 L787 | A785-I789 WeakPolarHBondContact O-CD1 3.4Å; A785-I789 WeakPolarHBondContact O-CG1 3.26Å; A785-I789 PolarHBondContact O-N 3.47Å; L787-I789 VanDerWaalsContact C-N 3.26Å; L787-I789 PolarHBondContact O-N 2.94Å |
| 790 | R | 34.5 | Very low | 35 | Very low | 202 Ų | 202 | 117 Ų | 117 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.2 | -33.8 | 177.1 | -84.9 | -174.5 | 173.5 | -175.3 | -2.5 | 113.5 | L787 V788 | L787-R790 PolarHBondContact O-N 3.24Å; L787-R790 VanDerWaalsContact O-N 3.08Å; V788-R790 PolarHBondContact O-N 3.29Å |
| 791 | L | 35.8 | Very low | 34.6 | Very low | 82 Ų | 82 | 117.2 Ų | 117.2 | 43% | 0.429 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -92.6 | -19.1 | -175.9 | -76.6 | 163.1 | 0 | 0 | 0 | 114.3 | L787 V788 V793 S794 | L787-L791 PolarHBondContact O-N 2.85Å; V788-L791 PolarHBondContact O-N 3.24Å; V788-L791 VanDerWaalsContact O-N 3.11Å; L791-V793 PolarHBondContact O-N 3.44Å; L791-S794 PolarHBondContact O-N 3.45Å |
| 792 | M | 30.8 | Very low | 34.4 | Very low | 144 Ų | 144 | 118 Ų | 118 | 71% | 0.709 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -23.5 | 172.3 | -81.8 | -174.2 | 79.7 | 0 | 0 | 113.5 | V788 S794 | V788-M792 HydrophobicContact CG1-CG 3.75Å; V788-M792 HydrophobicContact CG1-SD 3.59Å; V788-M792 VanDerWaalsContact CG1-SD 3.59Å; V788-M792 WeakPolarHBondContact O-CG 3.34Å; V788-M792 PolarHBondContact O-N 3.07Å; M792-S794 PolarHBondContact O-N 2.7Å |
| 793 | V | 35.5 | Very low | 34.2 | Very low | 128 Ų | 128 | 116.5 Ų | 116.5 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -21.3 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 112 | L791 | L791-V793 PolarHBondContact O-N 3.44Š|
| 794 | S | 36.6 | Very low | 34.1 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -15.6 | -167.8 | -50.4 | 0 | 0 | 0 | 0 | 115.4 | L791 M792 | L791-S794 PolarHBondContact O-N 3.45Å; M792-S794 PolarHBondContact O-N 2.7Å |
| 795 | F | 35 | Very low | 34.1 | Very low | 155 Ų | 155 | 120.2 Ų | 120.2 | 68% | 0.68 | 64% | 0.638 | S | S | * | * | trans | -112.6 | 24.2 | -166.2 | -89.4 | -76.1 | 0 | 0 | 0 | 116.4 | M797 | F795-M797 PolarHBondContact O-N 2.9Š| ||
| 796 | Q | 30.2 | Very low | 34.3 | Very low | 199 Ų | 199 | 122.3 Ų | 122.3 | 93% | 0.93 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 15.3 | 174 | -124.8 | -177.6 | -4.4 | 0 | 0 | 115 | ||
| 797 | M | 36.9 | Very low | 34.2 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | -5.4 | -165.6 | -114.5 | -176.5 | 62.4 | 0 | 0 | 119.6 | F795 | F795-M797 PolarHBondContact O-N 2.9Š|
| 798 | F | 33 | Very low | 33.6 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | trans | -137.9 | 98.4 | -174.7 | -68.4 | -75 | 0 | 0 | 0 | 114.4 | I800 | F798-I800 PolarHBondContact O-N 3.03Š| ||
| 799 | G | 31.8 | Very low | 33.5 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 92% | 0.918 | 66% | 0.657 | S | S | * | * | trans | -73.8 | 99.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 800 | I | 32.8 | Very low | 33.5 | Very low | 154 Ų | 154 | 120.5 Ų | 120.5 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | trans | -115.7 | 126.2 | 164.4 | -62.4 | 176.3 | 0 | 0 | 0 | 106.9 | F798 | F798-I800 PolarHBondContact O-N 3.03Š| ||
| 801 | T | 30.7 | Very low | 33.4 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 69% | 0.693 | 64% | 0.644 | S | S | * | * | trans | -70.7 | 128.3 | -170.8 | 39.3 | 0 | 0 | 0 | 0 | 112 | A803 | T801-A803 PolarHBondContact O-N 3.35Š| ||
| 802 | A | 35.5 | Very low | 33 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 60% | 0.603 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -7.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | T806 | A802-T806 PolarHBondContact O-N 2.88Å; A802-T806 VanDerWaalsContact O-N 3.14Å; A802-T806 PolarHBondContact O-OG1 3.36Å |
| 803 | A | 34.8 | Very low | 32.8 | Very low | 65 Ų | 65 | 119.4 Ų | 119.4 | 54% | 0.537 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.3 | -39.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T801 L807 | T801-A803 PolarHBondContact O-N 3.35Å; A803-L807 PolarHBondContact O-N 2.87Å |
| 804 | I | 35.1 | Very low | 32.3 | Very low | 137 Ų | 137 | 121.3 Ų | 121.3 | 70% | 0.703 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.4 | -34.7 | -178.9 | -62.8 | 175.8 | 0 | 0 | 0 | 110.9 | ||
| 805 | F | 33.1 | Very low | 31.9 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 48% | 0.478 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.9 | -33 | 179.3 | -161.9 | -106.9 | 0 | 0 | 0 | 112.5 | Y808 L809 | F805-Y808 PolarHBondContact O-N 2.83Å; F805-L809 HydrophobicContact CD1-CD1 3.95Å; F805-L809 HydrophobicContact CE1-CD1 3.64Å; F805-L809 HydrophobicContact CE1-CG 4.4Å; F805-L809 HydrophobicContact CZ-CD1 4.38Å; F805-L809 PolarHBondContact O-N 2.96Å |
| 806 | T | 35.5 | Very low | 31.5 | Very low | 88 Ų | 88 | 120.4 Ų | 120.4 | 54% | 0.54 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -70 | -36.4 | 177.7 | -52.4 | 0 | 0 | 0 | 0 | 112.3 | A802 Y808 L809 A810 | A802-T806 PolarHBondContact O-N 2.88Å; A802-T806 VanDerWaalsContact O-N 3.14Å; A802-T806 PolarHBondContact O-OG1 3.36Å; T806-Y808 VanDerWaalsContact C-N 3.32Å; T806-Y808 PolarHBondContact O-N 2.69Å; T806-L809 PolarHBondContact O-N 3Å; T806-A810 PolarHBondContact O-N 3.48Å; T806-A810 VanDerWaalsContact O-N 3.09Å |
| 807 | L | 34.3 | Very low | 31.4 | Very low | 129 Ų | 129 | 120 Ų | 120 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.6 | -38.3 | 176.8 | -78.6 | 164.8 | 0 | 0 | 0 | 112 | A803 A810 | A803-L807 PolarHBondContact O-N 2.87Å; L807-A810 PolarHBondContact O-N 2.96Å |
| 808 | Y | 30.1 | Very low | 30.8 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.9 | -33.7 | -178.8 | -153 | -96.8 | 0 | 0 | 0 | 112.9 | F805 T806 | F805-Y808 PolarHBondContact O-N 2.83Å; T806-Y808 VanDerWaalsContact C-N 3.32Å; T806-Y808 PolarHBondContact O-N 2.69Å |
| 809 | L | 29.7 | Very low | 30.5 | Very low | 77 Ų | 77 | 121.7 Ų | 121.7 | 40% | 0.403 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -75.5 | -24.3 | 174.3 | -72.4 | 175.9 | 0 | 0 | 0 | 113.4 | F805 T806 D811 L812 K813 | F805-L809 HydrophobicContact CD1-CD1 3.95Å; F805-L809 HydrophobicContact CE1-CD1 3.64Å; F805-L809 HydrophobicContact CE1-CG 4.4Å; F805-L809 HydrophobicContact CZ-CD1 4.38Å; F805-L809 PolarHBondContact O-N 2.96Å; T806-L809 PolarHBondContact O-N 3Å; L809-D811 VanDerWaalsContact C-N 3.3Å; L809-L812 HydrophobicContact CD2-CD1 4.5Å; L809-L812 PolarHBondContact O-N 2.98Å; L809-K813 PolarHBondContact O-N 3.17Å |
| 810 | A | 33 | Very low | 30.2 | Very low | 60 Ų | 60 | 121.9 Ų | 121.9 | 50% | 0.496 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.1 | -33.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | T806 L807 K813 | T806-A810 PolarHBondContact O-N 3.48Å; T806-A810 VanDerWaalsContact O-N 3.09Å; L807-A810 PolarHBondContact O-N 2.96Å; A810-K813 PolarHBondContact O-N 3.46Å |
| 811 | D | 30.4 | Very low | 29.9 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.9 | -31.7 | 177.2 | -85 | -24.5 | 0 | 0 | 0 | 113 | L809 K813 | L809-D811 VanDerWaalsContact C-N 3.3Å; D811-K813 VanDerWaalsContact C-N 3.28Å; D811-K813 PolarHBondContact O-N 3.08Å |
| 812 | L | 29.2 | Very low | 29.6 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -77.6 | -10.8 | 177.2 | -70.2 | 171.6 | 0 | 0 | 0 | 113.8 | L809 | L809-L812 HydrophobicContact CD2-CD1 4.5Å; L809-L812 PolarHBondContact O-N 2.98Å |
| 813 | K | 26.2 | Very low | 29 | Very low | 157 Ų | 157 | 126 Ų | 126 | 68% | 0.683 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 4.5 | -178.6 | -95.5 | -172.1 | -179.6 | -179.8 | 0 | 115.4 | L809 A810 D811 P815 | L809-K813 PolarHBondContact O-N 3.17Å; A810-K813 PolarHBondContact O-N 3.46Å; D811-K813 VanDerWaalsContact C-N 3.28Å; D811-K813 PolarHBondContact O-N 3.08Å; K813-P815 WeakPolarHBondContact O-CD 3.16Å |
| 814 | K | 25.3 | Very low | 28.5 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | -74.2 | 106.5 | 172.2 | -78.9 | -178.8 | -179.5 | 165.6 | 0 | 109.8 | ||||
| 815 | P | 28 | Very low | 28 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | -71.7 | 141.9 | 170.7 | -2.8 | 24.4 | 0 | 0 | 0 | 107.3 | K813 E817 | K813-P815 WeakPolarHBondContact O-CD 3.16Å; P815-E817 VanDerWaalsContact C-N 3.33Å; P815-E817 PolarHBondContact O-N 3Å | ||
| 816 | S | 26.4 | Very low | 27.7 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | trans | -57.1 | 88.4 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | T818 | S816-T818 VanDerWaalsContact C-N 3.33Å; S816-T818 PolarHBondContact O-N 2.98Å | ||
| 817 | E | 27.6 | Very low | 27.2 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -84.2 | 82.2 | 164.2 | -75.8 | -166 | 164.7 | 0 | 0 | 109.5 | P815 K819 | P815-E817 VanDerWaalsContact C-N 3.33Å; P815-E817 PolarHBondContact O-N 3Å; E817-K819 PolarHBondContact O-N 3.3Å | ||
| 818 | T | 24.5 | Very low | 26.7 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -62.1 | 107.7 | 146.1 | 29.3 | 0 | 0 | 0 | 0 | 108.9 | S816 | S816-T818 VanDerWaalsContact C-N 3.33Å; S816-T818 PolarHBondContact O-N 2.98Å | ||
| 819 | K | 26.2 | Very low | 26.3 | Very low | 202 Ų | 202 | 138 Ų | 138 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | -168.3 | 117.6 | 142 | -105.8 | 164.2 | -170.9 | -178.7 | 0 | 113.5 | E817 | E817-K819 PolarHBondContact O-N 3.3Š| ||
| 820 | A | 26.4 | Very low | 26 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | 64.8 | 99 | 139 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 821 | A | 25.1 | Very low | 25.6 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | 40.7 | 118.3 | 118.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 822 | G | 24.8 | Very low | 25.3 | Very low | 69 Ų | 69 | 149.2 Ų | 149.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | 134.2 | 115.9 | 129.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 823 | R | 24.2 | Very low | 24.9 | Very low | 250 Ų | 250 | 147 Ų | 147 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | 71.6 | 147.4 | 154.2 | -60.2 | 174.4 | 172.5 | 174.5 | -2.4 | 116.7 | ||||
| 824 | S | 24.2 | Very low | 24.8 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | cis | -178.4 | 144.4 | -20.5 | 68.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 825 | K | 23.8 | Very low | 24.5 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 68.1 | 127.7 | 160.1 | -56.9 | 173.9 | 176.8 | -179.6 | 0 | 114.3 | ||||
| 826 | T | 27 | Very low | 24.3 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | -164.7 | 135.5 | 60.8 | 10.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 827 | Q | 24.9 | Very low | 24.1 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | 42.3 | 116.1 | 137.4 | -77.2 | 163.5 | -35.3 | 0 | 0 | 120.9 | ||||
| 828 | R | 22.9 | Very low | 23.9 | Very low | 222 Ų | 222 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | 72.9 | 105.4 | 94.1 | -87 | -173.2 | 174.8 | 176.8 | -3.5 | 112.5 | |||||
| 829 | N | 22.1 | Very low | 23.9 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | 66 | 141.5 | 79.9 | -88.7 | 10.3 | 0 | 0 | 0 | 114.6 | |||||
| 830 | E | 24.8 | Very low | 23.8 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 88.8 | 137.4 | 168.3 | -67.8 | 172 | -152.5 | 0 | 0 | 114.7 | ||||
| 831 | D | 23.2 | Very low | 23.7 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | cis | 175.7 | 158.9 | -10.9 | -140.1 | 1.2 | 0 | 0 | 0 | 104.8 | ||||
| 832 | K | 24.7 | Very low | 23.9 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | 72.6 | 139.3 | 162.9 | -54.8 | 163.6 | -173.2 | -179 | 0 | 115.5 | ||||
| 833 | G | 21 | Very low | 23.8 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | cis | 117 | 126.1 | 28.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 834 | G | 22.9 | Very low | 24.2 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 107.6 | 107 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 835 | E | 21 | Very low | 24.1 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | 82.1 | 114.5 | 81.4 | -91.7 | -172.2 | 165.9 | 0 | 0 | 114.9 | |||||
| 836 | A | 22.7 | Very low | 24.2 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | 75.7 | 138.7 | 133.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 837 | T | 22.8 | Very low | 24.6 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | 75.8 | 109.1 | 158.3 | 60.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 838 | A | 23.6 | Very low | 24.6 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | 87.3 | 108.2 | 84.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 839 | D | 24.7 | Very low | 24.7 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | 156.8 | 141.7 | 130.9 | -86.8 | -22.7 | 0 | 0 | 0 | 112.5 | ||||
| 840 | G | 23.9 | Very low | 24.8 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | trans | 71.5 | 99 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 841 | A | 23.7 | Very low | 24.9 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | 47.2 | 108.5 | 88.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 842 | V | 28.9 | Very low | 25 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | -174.3 | 123.6 | 119.5 | 153.6 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 843 | S | 23.5 | Very low | 25 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -54.5 | 128.9 | 162.4 | 50.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 844 | T | 31.1 | Very low | 25.3 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -132.2 | 106.3 | 150.6 | 45.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 845 | S | 22.2 | Very low | 25.4 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -56.8 | 137.8 | 152.7 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 846 | A | 27.6 | Very low | 25.8 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | 171.9 | 128.6 | 121.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 847 | E | 35 | Very low | 26.1 | Very low | 275 Ų | 275 | 127.6 Ų | 127.6 | 100% | 1.285 | 83% | 0.83 | S | S | * | * | trans | 59.4 | 0 | 161.7 | -65.4 | -176.9 | 163.5 | 0 | 0 | 120.1 |
Retrieved 847 of 847 residues in 559.4 ms
(Link to these results)