| 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 | 36.9 | Very low | 70.5 | Confident | 243 Ų | 243 | 110.5 Ų | 110.5 | 100% | 1.197 | 60% | 0.599 | S | S | * | * | 0 | 98.7 | 0 | -63.5 | -161.4 | -141.6 | 0 | 0 | 108.4 | R3 | M1-R3 PolarHBondContact O-N 3.4Š| |||
| 2 | L | 49.1 | Very low | 71.8 | Confident | 157 Ų | 157 | 103.1 Ų | 103.1 | 82% | 0.822 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 124.1 | 167.8 | -79.4 | 151.6 | 0 | 0 | 0 | 106.8 | A4 | L2-A4 PolarHBondContact O-N 3.22Š|
| 3 | R | 52 | Low | 73.3 | Confident | 235 Ų | 235 | 97.3 Ų | 97.3 | 89% | 0.887 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 130.1 | -177.3 | -76.6 | 179 | 174.2 | 175.2 | -2.2 | 109.5 | M1 V5 | M1-R3 PolarHBondContact O-N 3.4Å; R3-V5 PolarHBondContact O-N 3.41Å |
| 4 | A | 56.4 | Low | 74.4 | Confident | 69 Ų | 69 | 105 Ų | 105 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 116.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L2 | L2-A4 PolarHBondContact O-N 3.22Š|
| 5 | V | 70.3 | Confident | 75.3 | Confident | 96 Ų | 96 | 101.5 Ų | 101.5 | 58% | 0.582 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -96.4 | 134.7 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | R3 V7 S48 | R3-V5 PolarHBondContact O-N 3.41Å; V5-V7 HydrophobicContact CG1-CG2 4.49Å; V5-S48 PolarHBondContact O-N 3.35Å |
| 6 | S | 80.5 | Confident | 76.2 | Confident | 94 Ų | 94 | 95.2 Ų | 95.2 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 122.1 | 168.8 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | S48 | S6-S48 VanDerWaalsContact CA-O 3.29Å; S6-S48 WeakPolarHBondContact CA-O 3.4Å; S6-S48 WeakPolarHBondContact CB-O 3.3Å |
| 7 | V | 81.8 | Confident | 77 | Confident | 21 Ų | 21 | 96.9 Ų | 96.9 | 13% | 0.127 | 50% | 0.496 | C | S | . | . | trans | -113.6 | 130.4 | -176.6 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | V5 F9 T12 L44 H52 | V5-V7 HydrophobicContact CG1-CG2 4.49Å; V7-F9 PolarHBondContact O-N 2.86Å; V7-T12 HydrophobicContact CG1-CG2 4.3Å; V7-T12 WeakPolarHBondContact CG1-OG1 3.29Å; V7-L44 HydrophobicContact CG1-CD2 3.9Å; V7-H52 PolarHBondContact O-NE2 2.98Å | ||
| 8 | D | 85.9 | Confident | 77.8 | Confident | 101 Ų | 101 | 95.3 Ų | 95.3 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | trans | -77 | 114.9 | 173.3 | -170.5 | 19 | 0 | 0 | 0 | 110.5 | P10 V11 T12 | D8-P10 WeakPolarHBondContact OD1-CD 3.39Å; D8-V11 HydrophobicContact CB-CB 4.47Å; D8-V11 HydrophobicContact CB-CG2 4.41Å; D8-V11 VanDerWaalsContact OD2-CG2 3.3Å; D8-V11 WeakPolarHBondContact OD2-CG2 3.5Å; D8-T12 PolarHBondContact O-N 3.28Å; D8-T12 PolarHBondContact O-OG1 3.19Å; D8-T12 VanDerWaalsContact O-OG1 3.07Å | ||
| 9 | F | 87.2 | Confident | 78.5 | Confident | 26 Ų | 26 | 90.3 Ų | 90.3 | 11% | 0.114 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.1 | -52.7 | -173.5 | 177.1 | -93.7 | 0 | 0 | 0 | 112.7 | V7 V11 T12 W13 L44 H52 T55 L56 | V7-F9 PolarHBondContact O-N 2.86Å; F9-V11 VanDerWaalsContact C-N 3.3Å; F9-V11 PolarHBondContact O-N 3.36Å; F9-T12 PolarHBondContact O-N 2.84Å; F9-W13 HydrophobicContact CD1-CB 4.25Å; F9-W13 HydrophobicContact CE1-CB 3.95Å; F9-W13 AromaticContact CE1-CG 3.93Å; F9-W13 HydrophobicContact CE1-CG 3.93Å; F9-W13 HydrophobicContact CE2-CB 4.31Å; F9-W13 HydrophobicContact CZ-CB 3.98Å; F9-W13 HydrophobicContact CZ-CD2 4.15Å; F9-W13 AromaticContact CZ-CG 3.86Å; F9-W13 HydrophobicContact CZ-CG 3.86Å; F9-W13 WeakPolarHBondContact O-CA 3.29Å; F9-W13 WeakPolarHBondContact O-CB 3.38Å; F9-W13 PolarHBondContact O-N 3Å; F9-L44 HydrophobicContact CD2-CD1 4.5Å; F9-L44 HydrophobicContact CD2-CD2 3.88Å; F9-L44 HydrophobicContact CE2-CD1 4.5Å; F9-H52 HydrophobicContact CD2-CB 3.73Å; F9-H52 HydrophobicContact CE2-CB 4.4Å; F9-T55 HydrophobicContact CD1-CG2 4.16Å; F9-T55 HydrophobicContact CD2-CG2 4.42Å; F9-T55 HydrophobicContact CE1-CG2 3.66Å; F9-T55 HydrophobicContact CE2-CG2 3.95Å; F9-T55 HydrophobicContact CZ-CG2 3.54Å; F9-L56 HydrophobicContact CE2-CB 4.17Å |
| 10 | P | 88.1 | Confident | 79.2 | Confident | 81 Ų | 81 | 85.8 Ų | 85.8 | 53% | 0.526 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -34.7 | -175.6 | -23.6 | 37.1 | 0 | 0 | 0 | 113.7 | D8 R14 | D8-P10 WeakPolarHBondContact OD1-CD 3.39Å; P10-R14 WeakPolarHBondContact O-CB 3.47Å; P10-R14 PolarHBondContact O-N 3.49Å |
| 11 | V | 87.4 | Confident | 79.8 | Confident | 93 Ų | 93 | 87 Ų | 87 | 56% | 0.564 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.1 | -50.9 | 178.8 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | D8 F9 R14 | D8-V11 HydrophobicContact CB-CB 4.47Å; D8-V11 HydrophobicContact CB-CG2 4.41Å; D8-V11 VanDerWaalsContact OD2-CG2 3.3Å; D8-V11 WeakPolarHBondContact OD2-CG2 3.5Å; F9-V11 VanDerWaalsContact C-N 3.3Å; F9-V11 PolarHBondContact O-N 3.36Å; V11-R14 PolarHBondContact O-N 3.44Å |
| 12 | T | 86.5 | Confident | 82.5 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 13% | 0.129 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.3 | -38.8 | -178.3 | -49.4 | 0 | 0 | 0 | 0 | 111.1 | V7 D8 F9 R14 S15 L16 Y40 L44 | V7-T12 HydrophobicContact CG1-CG2 4.3Å; V7-T12 WeakPolarHBondContact CG1-OG1 3.29Å; D8-T12 PolarHBondContact O-N 3.28Å; D8-T12 PolarHBondContact O-OG1 3.19Å; D8-T12 VanDerWaalsContact O-OG1 3.07Å; F9-T12 PolarHBondContact O-N 2.84Å; T12-R14 VanDerWaalsContact C-N 3.34Å; T12-R14 PolarHBondContact O-N 2.96Å; T12-S15 PolarHBondContact O-N 3.16Å; T12-L16 PolarHBondContact O-N 2.72Å; T12-L16 VanDerWaalsContact O-N 3.13Å; T12-Y40 HydrophobicContact CG2-CD1 3.94Å; T12-Y40 HydrophobicContact CG2-CG 4.04Å; T12-L44 HydrophobicContact CG2-CD1 4.05Å; T12-L44 HydrophobicContact CG2-CD2 4.1Å; T12-L44 HydrophobicContact CG2-CG 3.9Å |
| 13 | W | 90.6 | Very high | 84.6 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 11% | 0.106 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.6 | -35.6 | 174.2 | 179.2 | -122.1 | 0 | 0 | 0 | 112 | F9 S15 L16 R17 V20 L56 L63 | F9-W13 HydrophobicContact CD1-CB 4.25Å; F9-W13 HydrophobicContact CE1-CB 3.95Å; F9-W13 AromaticContact CE1-CG 3.93Å; F9-W13 HydrophobicContact CE1-CG 3.93Å; F9-W13 HydrophobicContact CE2-CB 4.31Å; F9-W13 HydrophobicContact CZ-CB 3.98Å; F9-W13 HydrophobicContact CZ-CD2 4.15Å; F9-W13 AromaticContact CZ-CG 3.86Å; F9-W13 HydrophobicContact CZ-CG 3.86Å; F9-W13 WeakPolarHBondContact O-CA 3.29Å; F9-W13 WeakPolarHBondContact O-CB 3.38Å; F9-W13 PolarHBondContact O-N 3Å; W13-S15 VanDerWaalsContact C-N 3.34Å; W13-S15 PolarHBondContact O-N 3.35Å; W13-L16 HydrophobicContact CE3-CB 4.19Å; W13-L16 HydrophobicContact CE3-CD2 4.09Å; W13-L16 HydrophobicContact CE3-CG 4.27Å; W13-L16 HydrophobicContact CZ3-CD2 4.12Å; W13-L16 HydrophobicContact CZ3-CG 4.19Å; W13-L16 PolarHBondContact O-N 3.39Å; W13-R17 HydrophobicContact CD2-CB 4.25Å; W13-R17 HydrophobicContact CZ2-CB 4.23Å; W13-R17 HydrophobicContact CZ2-CG 4.18Å; W13-R17 WeakPolarHBondContact O-CA 3.38Å; W13-R17 WeakPolarHBondContact O-CB 3.48Å; W13-R17 PolarHBondContact O-N 2.92Å; W13-V20 HydrophobicContact CZ3-CG2 4.5Å; W13-L56 HydrophobicContact CE3-CD1 3.57Å; W13-L56 HydrophobicContact CH2-CD1 4.43Å; W13-L56 HydrophobicContact CZ3-CD1 3.39Å; W13-L63 HydrophobicContact CH2-CD1 3.79Å; W13-L63 HydrophobicContact CZ2-CD1 3.64Å; W13-L63 HydrophobicContact CZ2-CG 4.41Å |
| 14 | R | 89.5 | Confident | 86.4 | Confident | 205 Ų | 205 | 60.3 Ų | 60.3 | 77% | 0.774 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.8 | -44.8 | 179.1 | -167.3 | -178.3 | -159.6 | 122.7 | 1.2 | 112.4 | P10 V11 T12 D18 | P10-R14 WeakPolarHBondContact O-CB 3.47Å; P10-R14 PolarHBondContact O-N 3.49Å; V11-R14 PolarHBondContact O-N 3.44Å; T12-R14 VanDerWaalsContact C-N 3.34Å; T12-R14 PolarHBondContact O-N 2.96Å; R14-D18 PolarHBondContact O-N 2.68Å |
| 15 | S | 86.6 | Confident | 88.2 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70 | -42 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | T12 W13 | T12-S15 PolarHBondContact O-N 3.16Å; W13-S15 VanDerWaalsContact C-N 3.34Å; W13-S15 PolarHBondContact O-N 3.35Å |
| 16 | L | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 178.4 | -173.7 | 60.5 | 0 | 0 | 0 | 112.3 | T12 W13 D18 V19 V20 V41 L44 L56 L104 | T12-L16 PolarHBondContact O-N 2.72Å; T12-L16 VanDerWaalsContact O-N 3.13Å; W13-L16 HydrophobicContact CE3-CB 4.19Å; W13-L16 HydrophobicContact CE3-CD2 4.09Å; W13-L16 HydrophobicContact CE3-CG 4.27Å; W13-L16 HydrophobicContact CZ3-CD2 4.12Å; W13-L16 HydrophobicContact CZ3-CG 4.19Å; W13-L16 PolarHBondContact O-N 3.39Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.37Å; L16-V19 WeakPolarHBondContact O-CB 3.09Å; L16-V19 PolarHBondContact O-N 2.99Å; L16-V19 VanDerWaalsContact O-N 3.12Å; L16-V20 HydrophobicContact CG-CG2 4.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 3.46Å; L16-V41 HydrophobicContact CD1-CG2 4.06Å; L16-V41 HydrophobicContact CD2-CG2 3.84Å; L16-L44 HydrophobicContact CD2-CD1 4.07Å; L16-L56 HydrophobicContact CD2-CD1 3.65Å; L16-L104 HydrophobicContact CD1-CD2 4.11Å |
| 17 | R | 90.9 | Very high | 89.6 | Confident | 124 Ų | 124 | 56.7 Ų | 56.7 | 47% | 0.468 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 178.8 | -173.3 | -166.4 | -177.9 | -148.5 | -1.4 | 111.5 | W13 V19 V20 Y21 L63 | W13-R17 HydrophobicContact CD2-CB 4.25Å; W13-R17 HydrophobicContact CZ2-CB 4.23Å; W13-R17 HydrophobicContact CZ2-CG 4.18Å; W13-R17 WeakPolarHBondContact O-CA 3.38Å; W13-R17 WeakPolarHBondContact O-CB 3.48Å; W13-R17 PolarHBondContact O-N 2.92Å; R17-V19 VanDerWaalsContact C-N 3.31Å; R17-V19 PolarHBondContact O-N 3.47Å; R17-V20 PolarHBondContact O-N 3.44Å; R17-Y21 VanDerWaalsContact O-CB 3.26Å; R17-Y21 WeakPolarHBondContact O-CB 3.15Å; R17-Y21 PolarHBondContact O-N 3.47Å; R17-L63 HydrophobicContact CG-CD1 3.84Å; R17-L63 HydrophobicContact CG-CD2 4.41Å |
| 18 | D | 90.7 | Very high | 90.1 | Very high | 68 Ų | 68 | 64 Ų | 64 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 176.6 | -177.5 | 54 | 0 | 0 | 0 | 111.3 | R14 L16 Y21 K22 | R14-D18 PolarHBondContact O-N 2.68Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.37Å; D18-Y21 PolarHBondContact O-N 3.48Å; D18-K22 WeakPolarHBondContact O-CB 3.44Å; D18-K22 WeakPolarHBondContact O-CG 3.47Å; D18-K22 PolarHBondContact O-N 3.28Å; D18-K22 WeakPolarHBondContact OD1-CE 3.36Å; D18-K22 IonicContact OD1-NZ 3.64Å; D18-K22 WeakPolarHBondContact OD2-CE 3.47Å; D18-K22 IonicContact OD2-NZ 2.7Å; D18-K22 PolarHBondContact OD2-NZ 3.27Å |
| 19 | V | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -48.8 | 175.3 | 177 | 0 | 0 | 0 | 0 | 111 | L16 R17 Y21 K22 L23 V29 L33 S37 L104 | L16-V19 WeakPolarHBondContact O-CB 3.09Å; L16-V19 PolarHBondContact O-N 2.99Å; L16-V19 VanDerWaalsContact O-N 3.12Å; R17-V19 VanDerWaalsContact C-N 3.31Å; R17-V19 PolarHBondContact O-N 3.47Å; V19-Y21 VanDerWaalsContact C-N 3.3Å; V19-Y21 PolarHBondContact O-N 3.02Å; V19-K22 PolarHBondContact O-N 3.21Å; V19-L23 HydrophobicContact CG1-CD1 3.84Å; V19-L23 HydrophobicContact CG1-CG 4.21Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 WeakPolarHBondContact O-CG 3.48Å; V19-L23 PolarHBondContact O-N 3.2Å; V19-V29 HydrophobicContact CG1-CG1 4.11Å; V19-V29 HydrophobicContact CG2-CG1 4.4Å; V19-L33 HydrophobicContact CG2-CD1 4.05Å; V19-L33 HydrophobicContact CG2-CD2 3.6Å; V19-L33 HydrophobicContact CG2-CG 3.54Å; V19-S37 WeakPolarHBondContact CG2-OG 3.04Å; V19-L104 HydrophobicContact CG1-CD2 4.19Å |
| 20 | V | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111 | W13 L16 R17 K22 L23 L24 T60 L63 L101 Y105 | W13-V20 HydrophobicContact CZ3-CG2 4.5Å; L16-V20 HydrophobicContact CG-CG2 4.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 3.46Å; R17-V20 PolarHBondContact O-N 3.44Å; V20-K22 PolarHBondContact O-N 2.77Å; V20-L23 PolarHBondContact O-N 2.84Å; V20-L24 HydrophobicContact CG1-CD1 4Å; V20-L24 HydrophobicContact CG1-CG 4.42Å; V20-L24 WeakPolarHBondContact O-CG 3.47Å; V20-L24 PolarHBondContact O-N 3.37Å; V20-T60 HydrophobicContact CG1-CG2 4.21Å; V20-L63 HydrophobicContact CB-CD1 4.15Å; V20-L63 HydrophobicContact CG1-CB 4.45Å; V20-L63 HydrophobicContact CG1-CD1 3.75Å; V20-L101 HydrophobicContact CB-CD1 4.25Å; V20-L101 HydrophobicContact CG1-CD1 3.94Å; V20-L101 HydrophobicContact CG1-CD2 4.17Å; V20-L101 HydrophobicContact CG2-CD1 3.79Å; V20-Y105 HydrophobicContact CG2-CE2 4.09Å; V20-Y105 WeakPolarHBondContact CG2-OH 3.27Å |
| 21 | Y | 92.1 | Very high | 90.4 | Very high | 111 Ų | 111 | 68 Ų | 68 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 178.1 | -175.8 | -91 | 0 | 0 | 0 | 112.2 | R17 D18 V19 R25 | R17-Y21 VanDerWaalsContact O-CB 3.26Å; R17-Y21 WeakPolarHBondContact O-CB 3.15Å; R17-Y21 PolarHBondContact O-N 3.47Å; D18-Y21 PolarHBondContact O-N 3.48Å; V19-Y21 VanDerWaalsContact C-N 3.3Å; V19-Y21 PolarHBondContact O-N 3.02Å; Y21-R25 VanDerWaalsContact CZ-NE 3.25Å; Y21-R25 PolarHBondContact O-N 2.87Å; Y21-R25 PolarHBondContact OH-NE 2.94Å; Y21-R25 PolarHBondContact OH-NH2 3.39Å; Y21-R25 VanDerWaalsContact OH-NH2 3.14Å |
| 22 | K | 92.5 | Very high | 90.5 | Very high | 60 Ų | 60 | 69 Ų | 69 | 26% | 0.261 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175.7 | -74.5 | 169.4 | 178.1 | 165.9 | 0 | 112.2 | D18 V19 V20 L24 R25 C26 D27 V29 | D18-K22 WeakPolarHBondContact O-CB 3.44Å; D18-K22 WeakPolarHBondContact O-CG 3.47Å; D18-K22 PolarHBondContact O-N 3.28Å; D18-K22 WeakPolarHBondContact OD1-CE 3.36Å; D18-K22 IonicContact OD1-NZ 3.64Å; D18-K22 WeakPolarHBondContact OD2-CE 3.47Å; D18-K22 IonicContact OD2-NZ 2.7Å; D18-K22 PolarHBondContact OD2-NZ 3.27Å; V19-K22 PolarHBondContact O-N 3.21Å; V20-K22 PolarHBondContact O-N 2.77Å; K22-L24 PolarHBondContact O-N 3.07Å; K22-R25 CarbonylContact O-C 3.47Å; K22-R25 PolarHBondContact O-N 3.33Å; K22-R25 VanDerWaalsContact O-N 3.13Å; K22-C26 PolarHBondContact O-N 3.24Å; K22-C26 VanDerWaalsContact O-N 3.1Å; K22-D27 HydrophobicContact CB-CB 4.1Å; K22-D27 HydrophobicContact CG-CB 4.26Å; K22-D27 PolarHBondContact O-N 3.04Å; K22-V29 HydrophobicContact CB-CG2 3.81Å; K22-V29 HydrophobicContact CD-CG2 4.4Å |
| 23 | L | 92.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 70.2 Ų | 70.2 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 178.7 | -69.9 | 171.3 | 0 | 0 | 0 | 111.7 | V19 V20 R25 C26 V29 W34 G97 L101 L104 | V19-L23 HydrophobicContact CG1-CD1 3.84Å; V19-L23 HydrophobicContact CG1-CG 4.21Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 WeakPolarHBondContact O-CG 3.48Å; V19-L23 PolarHBondContact O-N 3.2Å; V20-L23 PolarHBondContact O-N 2.84Å; L23-R25 PolarHBondContact O-N 3.49Å; L23-R25 VanDerWaalsContact O-N 3.09Å; L23-C26 PolarHBondContact O-N 3.36Å; L23-V29 HydrophobicContact CD2-CG2 4.07Å; L23-V29 HydrophobicContact CG-CG2 4.35Å; L23-W34 HydrophobicContact CD1-CE3 4.44Å; L23-W34 HydrophobicContact CD1-CZ3 3.71Å; L23-W34 HydrophobicContact CD2-CE3 4.31Å; L23-W34 HydrophobicContact CD2-CZ3 3.83Å; L23-W34 HydrophobicContact CG-CZ3 4.38Å; L23-G97 WeakPolarHBondContact O-CA 3.15Å; L23-L101 HydrophobicContact CD1-CB 4.5Å; L23-L101 HydrophobicContact CD1-CD1 4.11Å; L23-L104 HydrophobicContact CD1-CD2 3.88Å |
| 24 | L | 91.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -14.9 | 177.9 | -70.5 | 174 | 0 | 0 | 0 | 113.8 | V20 K22 L63 I64 R67 Y94 L101 | V20-L24 HydrophobicContact CG1-CD1 4Å; V20-L24 HydrophobicContact CG1-CG 4.42Å; V20-L24 WeakPolarHBondContact O-CG 3.47Å; V20-L24 PolarHBondContact O-N 3.37Å; K22-L24 PolarHBondContact O-N 3.07Å; L24-L63 HydrophobicContact CD1-CB 4.14Å; L24-I64 HydrophobicContact CD1-CG1 4.07Å; L24-I64 HydrophobicContact CD2-CG1 4.05Å; L24-R67 HydrophobicContact CB-CG 4.23Å; L24-R67 HydrophobicContact CD1-CB 4.45Å; L24-Y94 HydrophobicContact CD2-CE2 4.2Å; L24-L101 HydrophobicContact CD2-CD2 3.92Å; L24-L101 HydrophobicContact CG-CD2 4.33Å |
| 25 | R | 93 | Very high | 90.6 | Very high | 53 Ų | 53 | 65.8 Ų | 65.8 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -1.6 | 173.3 | -67.5 | -175.8 | -179.6 | -87.2 | -7.5 | 113.8 | Y21 K22 L23 D27 E70 S93 | Y21-R25 VanDerWaalsContact CZ-NE 3.25Å; Y21-R25 PolarHBondContact O-N 2.87Å; Y21-R25 PolarHBondContact OH-NE 2.94Å; Y21-R25 PolarHBondContact OH-NH2 3.39Å; Y21-R25 VanDerWaalsContact OH-NH2 3.14Å; K22-R25 CarbonylContact O-C 3.47Å; K22-R25 PolarHBondContact O-N 3.33Å; K22-R25 VanDerWaalsContact O-N 3.13Å; L23-R25 PolarHBondContact O-N 3.49Å; L23-R25 VanDerWaalsContact O-N 3.09Å; R25-D27 VanDerWaalsContact CB-OD2 3.32Å; R25-D27 WeakPolarHBondContact CB-OD2 3.26Å; R25-D27 PolarHBondContact O-N 3.29Å; R25-E70 IonicContact CZ-OE1 3.98Å; R25-E70 IonicContact CZ-OE2 2.88Å; R25-E70 IonicContact NH1-OE1 3.07Å; R25-E70 PolarHBondContact NH1-OE1 3.31Å; R25-E70 VanDerWaalsContact NH1-OE1 3.07Å; R25-E70 IonicContact NH1-OE2 3.78Å; R25-E70 IonicContact NH2-OE1 3.72Å; R25-E70 PolarHBondContact NH2-OE1 3.22Å; R25-E70 IonicContact NH2-OE2 3.82Å; R25-E70 PolarHBondContact NH2-OE2 3.41Å; R25-S93 PolarHBondContact O-OG 2.91Å |
| 26 | C | 90 | Very high | 90.8 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 31% | 0.311 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 31.6 | -167.6 | -88.6 | 0 | 0 | 0 | 0 | 114 | K22 L23 S93 G97 | K22-C26 PolarHBondContact O-N 3.24Å; K22-C26 VanDerWaalsContact O-N 3.1Å; L23-C26 PolarHBondContact O-N 3.36Å; C26-S93 PolarHBondContact SG-O 3.42Å; C26-G97 VanDerWaalsContact SG-CA 3.59Å; C26-G97 PolarHBondContact SG-N 3Å |
| 27 | D | 91.4 | Very high | 90.9 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | trans | -77.8 | 162.3 | 174.9 | -68.4 | -30.5 | 0 | 0 | 0 | 111.4 | K22 R25 V29 | K22-D27 HydrophobicContact CB-CB 4.1Å; K22-D27 HydrophobicContact CG-CB 4.26Å; K22-D27 PolarHBondContact O-N 3.04Å; R25-D27 VanDerWaalsContact CB-OD2 3.32Å; R25-D27 WeakPolarHBondContact CB-OD2 3.26Å; R25-D27 PolarHBondContact O-N 3.29Å; D27-V29 PolarHBondContact O-N 3.1Å | ||
| 28 | F | 90.7 | Very high | 90.8 | Very high | 173 Ų | 173 | 63.3 Ų | 63.3 | 76% | 0.759 | 30% | 0.302 | S | S | * | . | trans | -64.7 | 128.3 | 179.5 | 178.5 | -97.8 | 0 | 0 | 0 | 111.7 | D30 | F28-D30 HydrophobicContact CE1-CB 4.48Š| ||
| 29 | V | 89.3 | Confident | 90.7 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | trans | -116.3 | 126.7 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | V19 K22 L23 D27 L33 W34 | V19-V29 HydrophobicContact CG1-CG1 4.11Å; V19-V29 HydrophobicContact CG2-CG1 4.4Å; K22-V29 HydrophobicContact CB-CG2 3.81Å; K22-V29 HydrophobicContact CD-CG2 4.4Å; L23-V29 HydrophobicContact CD2-CG2 4.07Å; L23-V29 HydrophobicContact CG-CG2 4.35Å; D27-V29 PolarHBondContact O-N 3.1Å; V29-L33 HydrophobicContact CG1-CD2 4.47Å; V29-W34 HydrophobicContact CG1-CB 4.06Å | ||
| 30 | D | 90.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 41% | 0.406 | 32% | 0.317 | S | S | . | . | trans | -59.9 | 142.4 | 176.1 | -179.1 | -91 | 0 | 0 | 0 | 111.2 | F28 D32 L33 W34 | F28-D30 HydrophobicContact CE1-CB 4.48Å; D30-D32 VanDerWaalsContact C-N 3.32Å; D30-D32 PolarHBondContact O-N 3.44Å; D30-D32 WeakPolarHBondContact OD1-CB 3.29Å; D30-D32 PolarHBondContact OD1-N 3.39Å; D30-L33 HydrophobicContact CB-CB 4.16Å; D30-L33 PolarHBondContact O-N 2.7Å; D30-L33 PolarHBondContact OD1-N 3.12Å; D30-W34 WeakPolarHBondContact O-CB 3.33Å; D30-W34 PolarHBondContact O-N 3.38Å | ||
| 31 | R | 89.5 | Confident | 90.4 | Very high | 192 Ų | 192 | 65.3 Ų | 65.3 | 73% | 0.725 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.7 | -37.9 | -173.9 | -173.5 | -179.8 | -179 | -174.5 | -1.6 | 112.5 | W34 N35 | R31-W34 PolarHBondContact O-N 3.19Å; R31-N35 WeakPolarHBondContact O-CB 3.45Å; R31-N35 VanDerWaalsContact O-CG 3.23Å; R31-N35 PolarHBondContact O-N 2.67Å; R31-N35 PolarHBondContact O-ND2 3.41Å |
| 32 | D | 89.4 | Confident | 90.2 | Very high | 114 Ų | 114 | 64.7 Ų | 64.7 | 61% | 0.61 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73.2 | -38.5 | -178.9 | -65.4 | -27.1 | 0 | 0 | 0 | 110.3 | D30 N35 S36 | D30-D32 VanDerWaalsContact C-N 3.32Å; D30-D32 PolarHBondContact O-N 3.44Å; D30-D32 WeakPolarHBondContact OD1-CB 3.29Å; D30-D32 PolarHBondContact OD1-N 3.39Å; D32-N35 PolarHBondContact O-N 2.99Å; D32-S36 VanDerWaalsContact O-CB 3.29Å; D32-S36 WeakPolarHBondContact O-CB 3.34Å; D32-S36 PolarHBondContact O-N 3.5Å; D32-S36 PolarHBondContact O-OG 3.13Å |
| 33 | L | 89.5 | Confident | 89.9 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 173.3 | -175.4 | 62.6 | 0 | 0 | 0 | 111.7 | V19 V29 D30 S36 S37 | V19-L33 HydrophobicContact CG2-CD1 4.05Å; V19-L33 HydrophobicContact CG2-CD2 3.6Å; V19-L33 HydrophobicContact CG2-CG 3.54Å; V29-L33 HydrophobicContact CG1-CD2 4.47Å; D30-L33 HydrophobicContact CB-CB 4.16Å; D30-L33 PolarHBondContact O-N 2.7Å; D30-L33 PolarHBondContact OD1-N 3.12Å; L33-S36 PolarHBondContact O-N 2.86Å; L33-S37 WeakPolarHBondContact O-CB 3.43Å; L33-S37 PolarHBondContact O-N 2.94Å; L33-S37 PolarHBondContact O-OG 3.49Å |
| 34 | W | 90.3 | Very high | 89.7 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 174.7 | 171.6 | -107.1 | 0 | 0 | 0 | 111.8 | L23 V29 D30 R31 S36 S37 F38 Y100 I103 L104 | L23-W34 HydrophobicContact CD1-CE3 4.44Å; L23-W34 HydrophobicContact CD1-CZ3 3.71Å; L23-W34 HydrophobicContact CD2-CE3 4.31Å; L23-W34 HydrophobicContact CD2-CZ3 3.83Å; L23-W34 HydrophobicContact CG-CZ3 4.38Å; V29-W34 HydrophobicContact CG1-CB 4.06Å; D30-W34 WeakPolarHBondContact O-CB 3.33Å; D30-W34 PolarHBondContact O-N 3.38Å; R31-W34 PolarHBondContact O-N 3.19Å; W34-S36 VanDerWaalsContact C-N 3.34Å; W34-S36 PolarHBondContact O-N 3.39Å; W34-S37 WeakPolarHBondContact O-CB 3.41Å; W34-S37 PolarHBondContact O-N 3.49Å; W34-S37 VanDerWaalsContact O-N 3.16Å; W34-F38 HydrophobicContact CD2-CE2 4.03Å; W34-F38 AromaticContact CE2-CE2 3.47Å; W34-F38 VanDerWaalsContact CE2-CE2 3.47Å; W34-F38 AromaticContact CE2-CZ 3.78Å; W34-F38 HydrophobicContact CG-CE2 4.38Å; W34-F38 HydrophobicContact CH2-CE2 4.42Å; W34-F38 HydrophobicContact CH2-CZ 4.15Å; W34-F38 AromaticContact CZ2-CE2 3.72Å; W34-F38 HydrophobicContact CZ2-CE2 3.72Å; W34-F38 AromaticContact CZ2-CZ 3.51Å; W34-F38 HydrophobicContact CZ2-CZ 3.51Å; W34-F38 AromaticContact NE1-CE2 3.5Å; W34-F38 VanDerWaalsContact O-CD2 3.29Å; W34-F38 WeakPolarHBondContact O-CD2 3.07Å; W34-Y100 WeakPolarHBondContact CH2-O 3.23Å; W34-I103 HydrophobicContact CZ2-CG2 4.47Å; W34-L104 HydrophobicContact CH2-CB 3.82Å; W34-L104 HydrophobicContact CZ3-CB 3.9Å; W34-L104 HydrophobicContact CZ3-CD1 4.39Å; W34-L104 HydrophobicContact CZ3-CD2 4.13Å; W34-L104 HydrophobicContact CZ3-CG 4.37Å |
| 35 | N | 89.2 | Confident | 89.5 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 178.3 | -70 | -27.4 | 0 | 0 | 0 | 112 | R31 D32 S37 F38 | R31-N35 WeakPolarHBondContact O-CB 3.45Å; R31-N35 VanDerWaalsContact O-CG 3.23Å; R31-N35 PolarHBondContact O-N 2.67Å; R31-N35 PolarHBondContact O-ND2 3.41Å; D32-N35 PolarHBondContact O-N 2.99Å; N35-S37 PolarHBondContact O-N 2.96Å; N35-F38 PolarHBondContact O-N 3.47Å |
| 36 | S | 90.2 | Very high | 89.1 | Confident | 52 Ų | 52 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -31.4 | 177 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | D32 L33 W34 F38 G39 Y40 | D32-S36 VanDerWaalsContact O-CB 3.29Å; D32-S36 WeakPolarHBondContact O-CB 3.34Å; D32-S36 PolarHBondContact O-N 3.5Å; D32-S36 PolarHBondContact O-OG 3.13Å; L33-S36 PolarHBondContact O-N 2.86Å; W34-S36 VanDerWaalsContact C-N 3.34Å; W34-S36 PolarHBondContact O-N 3.39Å; S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 2.69Å; S36-G39 CarbonylContact O-C 3.59Å; S36-G39 WeakPolarHBondContact O-CA 3.4Å; S36-G39 PolarHBondContact O-N 3.03Å; S36-Y40 PolarHBondContact O-N 3.27Å |
| 37 | S | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -34.1 | -179.2 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | V19 L33 W34 N35 G39 Y40 V41 | V19-S37 WeakPolarHBondContact CG2-OG 3.04Å; L33-S37 WeakPolarHBondContact O-CB 3.43Å; L33-S37 PolarHBondContact O-N 2.94Å; L33-S37 PolarHBondContact O-OG 3.49Å; W34-S37 WeakPolarHBondContact O-CB 3.41Å; W34-S37 PolarHBondContact O-N 3.49Å; W34-S37 VanDerWaalsContact O-N 3.16Å; N35-S37 PolarHBondContact O-N 2.96Å; S37-G39 VanDerWaalsContact C-N 3.28Å; S37-G39 PolarHBondContact O-N 3.11Å; S37-Y40 WeakPolarHBondContact O-CB 3.34Å; S37-Y40 PolarHBondContact O-N 3.31Å; S37-V41 WeakPolarHBondContact O-CG2 3.33Å; S37-V41 PolarHBondContact O-N 3.02Å |
| 38 | F | 90.5 | Very high | 88.2 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 172 | -69 | -89.7 | 0 | 0 | 0 | 111.4 | W34 N35 S36 V41 Y42 I103 L104 | W34-F38 HydrophobicContact CD2-CE2 4.03Å; W34-F38 AromaticContact CE2-CE2 3.47Å; W34-F38 VanDerWaalsContact CE2-CE2 3.47Å; W34-F38 AromaticContact CE2-CZ 3.78Å; W34-F38 HydrophobicContact CG-CE2 4.38Å; W34-F38 HydrophobicContact CH2-CE2 4.42Å; W34-F38 HydrophobicContact CH2-CZ 4.15Å; W34-F38 AromaticContact CZ2-CE2 3.72Å; W34-F38 HydrophobicContact CZ2-CE2 3.72Å; W34-F38 AromaticContact CZ2-CZ 3.51Å; W34-F38 HydrophobicContact CZ2-CZ 3.51Å; W34-F38 AromaticContact NE1-CE2 3.5Å; W34-F38 VanDerWaalsContact O-CD2 3.29Å; W34-F38 WeakPolarHBondContact O-CD2 3.07Å; N35-F38 PolarHBondContact O-N 3.47Å; S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 2.69Å; F38-V41 PolarHBondContact O-N 3.14Å; F38-Y42 WeakPolarHBondContact O-CB 3.47Å; F38-Y42 PolarHBondContact O-N 2.9Å; F38-I103 HydrophobicContact CE1-CG2 4.42Å; F38-I103 HydrophobicContact CZ-CG2 4.29Å; F38-L104 HydrophobicContact CB-CD1 4.49Å; F38-L104 HydrophobicContact CD1-CD1 3.96Å; F38-L104 HydrophobicContact CD2-CD1 3.88Å; F38-L104 HydrophobicContact CE1-CD1 4.1Å; F38-L104 HydrophobicContact CE2-CD1 4Å; F38-L104 HydrophobicContact CG-CD1 3.85Å; F38-L104 HydrophobicContact CZ-CD1 4.12Å |
| 39 | G | 87.9 | Confident | 87.7 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S36 S37 Y42 S43 | S36-G39 CarbonylContact O-C 3.59Å; S36-G39 WeakPolarHBondContact O-CA 3.4Å; S36-G39 PolarHBondContact O-N 3.03Å; S37-G39 VanDerWaalsContact C-N 3.28Å; S37-G39 PolarHBondContact O-N 3.11Å; G39-Y42 PolarHBondContact O-N 3.44Å; G39-S43 VanDerWaalsContact O-CB 3.27Å; G39-S43 WeakPolarHBondContact O-CB 3.16Å; G39-S43 PolarHBondContact O-N 3.34Å; G39-S43 PolarHBondContact O-OG 3.48Å |
| 40 | Y | 89.2 | Confident | 87.3 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -50.6 | 175.3 | -59.7 | -30.7 | 0 | 0 | 0 | 111.7 | T12 S36 S37 Y42 S43 L44 | T12-Y40 HydrophobicContact CG2-CD1 3.94Å; T12-Y40 HydrophobicContact CG2-CG 4.04Å; S36-Y40 PolarHBondContact O-N 3.27Å; S37-Y40 WeakPolarHBondContact O-CB 3.34Å; S37-Y40 PolarHBondContact O-N 3.31Å; Y40-Y42 PolarHBondContact O-N 3.25Å; Y40-S43 PolarHBondContact O-N 2.89Å; Y40-S43 PolarHBondContact O-OG 3.14Å; Y40-L44 WeakPolarHBondContact O-CB 3.48Å; Y40-L44 WeakPolarHBondContact O-CG 3.48Å; Y40-L44 PolarHBondContact O-N 3.2Å |
| 41 | V | 88.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111 | L16 S37 F38 S43 L44 C45 L56 L104 Y105 M108 | L16-V41 HydrophobicContact CD1-CG2 4.06Å; L16-V41 HydrophobicContact CD2-CG2 3.84Å; S37-V41 WeakPolarHBondContact O-CG2 3.33Å; S37-V41 PolarHBondContact O-N 3.02Å; F38-V41 PolarHBondContact O-N 3.14Å; V41-S43 PolarHBondContact O-N 3.1Å; V41-L44 PolarHBondContact O-N 3.32Å; V41-C45 PolarHBondContact O-N 3.01Å; V41-C45 PolarHBondContact O-SG 2.84Å; V41-L56 HydrophobicContact CG1-CD2 4.34Å; V41-L104 HydrophobicContact CG2-CD1 4.4Å; V41-L104 HydrophobicContact CG2-CG 4.23Å; V41-Y105 HydrophobicContact CG2-CD2 4.37Å; V41-Y105 HydrophobicContact CG2-CE2 4.18Å; V41-M108 HydrophobicContact CG1-CB 4.32Å |
| 42 | Y | 87.7 | Confident | 86.8 | Confident | 97 Ų | 97 | 52.2 Ų | 52.2 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 178.4 | 179.5 | -96.9 | 0 | 0 | 0 | 111.8 | F38 G39 Y40 L44 C45 T46 Y107 | F38-Y42 WeakPolarHBondContact O-CB 3.47Å; F38-Y42 PolarHBondContact O-N 2.9Å; G39-Y42 PolarHBondContact O-N 3.44Å; Y40-Y42 PolarHBondContact O-N 3.25Å; Y42-L44 VanDerWaalsContact C-N 3.32Å; Y42-L44 PolarHBondContact O-N 2.87Å; Y42-C45 PolarHBondContact O-N 3.3Å; Y42-C45 VanDerWaalsContact O-N 3.11Å; Y42-T46 HydrophobicContact CD2-CG2 4.23Å; Y42-T46 HydrophobicContact CE1-CG2 4.19Å; Y42-T46 HydrophobicContact CE2-CG2 3.83Å; Y42-T46 PolarHBondContact O-N 2.74Å; Y42-T46 PolarHBondContact O-OG1 3.38Å; Y42-Y107 HydrophobicContact CD2-CD1 4.05Å; Y42-Y107 AromaticContact CD2-CD2 3.84Å; Y42-Y107 HydrophobicContact CD2-CD2 3.84Å; Y42-Y107 AromaticContact CD2-CE1 3.75Å; Y42-Y107 HydrophobicContact CD2-CE1 3.75Å; Y42-Y107 AromaticContact CD2-CE2 3.53Å; Y42-Y107 HydrophobicContact CD2-CE2 3.53Å; Y42-Y107 HydrophobicContact CD2-CG 4.09Å; Y42-Y107 AromaticContact CD2-CZ 3.48Å; Y42-Y107 VanDerWaalsContact CD2-CZ 3.48Å; Y42-Y107 HydrophobicContact CE2-CD2 4.25Å; Y42-Y107 HydrophobicContact CE2-CE1 4.15Å; Y42-Y107 AromaticContact CE2-CE2 3.51Å; Y42-Y107 HydrophobicContact CE2-CE2 3.51Å; Y42-Y107 AromaticContact CE2-CZ 3.45Å; Y42-Y107 VanDerWaalsContact CE2-CZ 3.45Å; Y42-Y107 WeakPolarHBondContact CE2-OH 3.27Å |
| 43 | S | 87.7 | Confident | 86.6 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -37.1 | -177.5 | 72.2 | 0 | 0 | 0 | 0 | 113 | G39 Y40 V41 S47 | G39-S43 VanDerWaalsContact O-CB 3.27Å; G39-S43 WeakPolarHBondContact O-CB 3.16Å; G39-S43 PolarHBondContact O-N 3.34Å; G39-S43 PolarHBondContact O-OG 3.48Å; Y40-S43 PolarHBondContact O-N 2.89Å; Y40-S43 PolarHBondContact O-OG 3.14Å; V41-S43 PolarHBondContact O-N 3.1Å; S43-S47 WeakPolarHBondContact O-CB 3.46Å; S43-S47 PolarHBondContact O-N 3.13Å |
| 44 | L | 87.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.8 | -36 | 175.1 | -72.7 | 177.5 | 0 | 0 | 0 | 112.1 | V7 F9 T12 L16 Y40 V41 Y42 S47 H52 L56 | V7-L44 HydrophobicContact CG1-CD2 3.9Å; F9-L44 HydrophobicContact CD2-CD1 4.5Å; F9-L44 HydrophobicContact CD2-CD2 3.88Å; F9-L44 HydrophobicContact CE2-CD1 4.5Å; T12-L44 HydrophobicContact CG2-CD1 4.05Å; T12-L44 HydrophobicContact CG2-CD2 4.1Å; T12-L44 HydrophobicContact CG2-CG 3.9Å; L16-L44 HydrophobicContact CD2-CD1 4.07Å; Y40-L44 WeakPolarHBondContact O-CB 3.48Å; Y40-L44 WeakPolarHBondContact O-CG 3.48Å; Y40-L44 PolarHBondContact O-N 3.2Å; V41-L44 PolarHBondContact O-N 3.32Å; Y42-L44 VanDerWaalsContact C-N 3.32Å; Y42-L44 PolarHBondContact O-N 2.87Å; L44-S47 PolarHBondContact O-OG 3.5Å; L44-H52 HydrophobicContact CD2-CB 4.29Å; L44-H52 WeakPolarHBondContact O-CB 3.32Å; L44-H52 PolarHBondContact O-N 3.24Å; L44-L56 HydrophobicContact CB-CD2 4.18Å; L44-L56 HydrophobicContact CD1-CD1 4.02Å; L44-L56 HydrophobicContact CD1-CD2 4.2Å |
| 45 | C | 86.1 | Confident | 86.2 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.6 | -34.2 | 176.8 | -70 | 0 | 0 | 0 | 0 | 112.7 | V41 Y42 S51 A53 Y107 | V41-C45 PolarHBondContact O-N 3.01Å; V41-C45 PolarHBondContact O-SG 2.84Å; Y42-C45 PolarHBondContact O-N 3.3Å; Y42-C45 VanDerWaalsContact O-N 3.11Å; C45-S51 PolarHBondContact O-OG 3.42Å; C45-A53 HydrophobicContact CB-CB 4.35Å; C45-Y107 HydrophobicContact CB-CD1 3.84Å; C45-Y107 HydrophobicContact CB-CE1 3.6Å |
| 46 | T | 86 | Confident | 86.2 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -100.7 | 11.7 | -178 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | Y42 Y107 | Y42-T46 HydrophobicContact CD2-CG2 4.23Å; Y42-T46 HydrophobicContact CE1-CG2 4.19Å; Y42-T46 HydrophobicContact CE2-CG2 3.83Å; Y42-T46 PolarHBondContact O-N 2.74Å; Y42-T46 PolarHBondContact O-OG1 3.38Å; T46-Y107 HydrophobicContact CG2-CE1 3.99Å; T46-Y107 WeakPolarHBondContact CG2-OH 3.43Å |
| 47 | S | 84.6 | Confident | 86.1 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | trans | -61.1 | 142.4 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | S43 L44 V50 S51 H52 | S43-S47 WeakPolarHBondContact O-CB 3.46Å; S43-S47 PolarHBondContact O-N 3.13Å; L44-S47 PolarHBondContact O-OG 3.5Å; S47-V50 CarbonylContact C-O 3.59Å; S47-V50 CarbonylContact O-C 3.28Å; S47-V50 VanDerWaalsContact O-C 3.28Å; S47-V50 VanDerWaalsContact O-O 3.07Å; S47-V50 PolarHBondContact OG-O 2.86Å; S47-S51 PolarHBondContact O-N 3Å; S47-S51 WeakPolarHBondContact OG-CA 3.48Å; S47-H52 PolarHBondContact OG-CD2 3.15Å; S47-H52 PolarHBondContact OG-N 3.38Å | ||
| 48 | S | 78.2 | Confident | 86 | Confident | 54 Ų | 54 | 49 Ų | 49 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -127.4 | 142.2 | 178 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | V5 S6 | V5-S48 PolarHBondContact O-N 3.35Å; S6-S48 VanDerWaalsContact CA-O 3.29Å; S6-S48 WeakPolarHBondContact CA-O 3.4Å; S6-S48 WeakPolarHBondContact CB-O 3.3Å |
| 49 | P | 80.1 | Confident | 85.9 | Confident | 120 Ų | 120 | 47 Ų | 47 | 78% | 0.779 | 27% | 0.272 | S | S | * | . | S | Bend | cis | -81.7 | -15.2 | 10.7 | 31.2 | -34.5 | 0 | 0 | 0 | 115.5 | ||
| 50 | V | 79.3 | Confident | 86.1 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 56% | 0.564 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -114.2 | 128.4 | -178.8 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | S47 | S47-V50 CarbonylContact C-O 3.59Å; S47-V50 CarbonylContact O-C 3.28Å; S47-V50 VanDerWaalsContact O-C 3.28Å; S47-V50 VanDerWaalsContact O-O 3.07Å; S47-V50 PolarHBondContact OG-O 2.86Å |
| 51 | S | 83.5 | Confident | 86.1 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | trans | -72.1 | 129.3 | 169.7 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | C45 S47 A53 | C45-S51 PolarHBondContact O-OG 3.42Å; S47-S51 PolarHBondContact O-N 3Å; S47-S51 WeakPolarHBondContact OG-CA 3.48Å; S51-A53 VanDerWaalsContact C-N 3.3Å; S51-A53 WeakPolarHBondContact OG-CB 3.21Å; S51-A53 PolarHBondContact OG-N 3.26Å | ||
| 52 | H | 86.5 | Confident | 86.3 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | trans | -89.7 | 10.1 | 175.8 | -63.4 | -60.6 | 0 | 0 | 0 | 113.4 | V7 F9 L44 S47 S54 T55 L56 | V7-H52 PolarHBondContact O-NE2 2.98Å; F9-H52 HydrophobicContact CD2-CB 3.73Å; F9-H52 HydrophobicContact CE2-CB 4.4Å; L44-H52 HydrophobicContact CD2-CB 4.29Å; L44-H52 WeakPolarHBondContact O-CB 3.32Å; L44-H52 PolarHBondContact O-N 3.24Å; S47-H52 PolarHBondContact OG-CD2 3.15Å; S47-H52 PolarHBondContact OG-N 3.38Å; H52-S54 VanDerWaalsContact C-N 3.32Å; H52-S54 PolarHBondContact O-N 2.99Å; H52-T55 PolarHBondContact O-N 3.37Å; H52-L56 WeakPolarHBondContact O-CB 3.48Å; H52-L56 PolarHBondContact O-N 3.34Å | ||
| 53 | A | 85.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -39 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C45 S51 L56 Y57 H112 | C45-A53 HydrophobicContact CB-CB 4.35Å; S51-A53 VanDerWaalsContact C-N 3.3Å; S51-A53 WeakPolarHBondContact OG-CB 3.21Å; S51-A53 PolarHBondContact OG-N 3.26Å; A53-L56 PolarHBondContact O-N 3.46Å; A53-Y57 WeakPolarHBondContact O-CB 3.34Å; A53-Y57 PolarHBondContact O-N 2.92Å; A53-H112 HydrophobicContact CB-CB 4.14Å; A53-H112 WeakPolarHBondContact CB-CD2 3.47Å |
| 54 | S | 84.6 | Confident | 86.8 | Confident | 56 Ų | 56 | 40.1 Ų | 40.1 | 39% | 0.392 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.3 | -39.8 | 178.5 | 64 | 0 | 0 | 0 | 0 | 112.7 | H52 K58 H112 | H52-S54 VanDerWaalsContact C-N 3.32Å; H52-S54 PolarHBondContact O-N 2.99Å; S54-K58 WeakPolarHBondContact O-CG 3.4Å; S54-K58 PolarHBondContact O-N 3.13Å; S54-H112 PolarHBondContact N-NE2 3.24Å |
| 55 | T | 87.1 | Confident | 87.1 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 174 | -47.2 | 0 | 0 | 0 | 0 | 110.5 | F9 H52 Y57 K58 S59 | F9-T55 HydrophobicContact CD1-CG2 4.16Å; F9-T55 HydrophobicContact CD2-CG2 4.42Å; F9-T55 HydrophobicContact CE1-CG2 3.66Å; F9-T55 HydrophobicContact CE2-CG2 3.95Å; F9-T55 HydrophobicContact CZ-CG2 3.54Å; H52-T55 PolarHBondContact O-N 3.37Å; T55-Y57 PolarHBondContact O-N 3.23Å; T55-K58 PolarHBondContact O-N 2.74Å; T55-S59 WeakPolarHBondContact O-CB 3.49Å; T55-S59 PolarHBondContact O-N 3.08Å; T55-S59 PolarHBondContact O-OG 3.34Å; T55-S59 VanDerWaalsContact O-OG 3.08Å |
| 56 | L | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 175.2 | 176.2 | 61 | 0 | 0 | 0 | 111.2 | F9 W13 L16 V41 L44 H52 A53 T60 Y105 M108 | F9-L56 HydrophobicContact CE2-CB 4.17Å; W13-L56 HydrophobicContact CE3-CD1 3.57Å; W13-L56 HydrophobicContact CH2-CD1 4.43Å; W13-L56 HydrophobicContact CZ3-CD1 3.39Å; L16-L56 HydrophobicContact CD2-CD1 3.65Å; V41-L56 HydrophobicContact CG1-CD2 4.34Å; L44-L56 HydrophobicContact CB-CD2 4.18Å; L44-L56 HydrophobicContact CD1-CD1 4.02Å; L44-L56 HydrophobicContact CD1-CD2 4.2Å; H52-L56 WeakPolarHBondContact O-CB 3.48Å; H52-L56 PolarHBondContact O-N 3.34Å; A53-L56 PolarHBondContact O-N 3.46Å; L56-T60 VanDerWaalsContact O-CB 3.31Å; L56-T60 WeakPolarHBondContact O-CB 3.45Å; L56-T60 PolarHBondContact O-N 2.66Å; L56-T60 PolarHBondContact O-OG1 2.83Å; L56-Y105 HydrophobicContact CD1-CE1 4.17Å; L56-Y105 HydrophobicContact CD2-CE1 4.17Å; L56-Y105 HydrophobicContact CG-CE1 3.97Å; L56-M108 HydrophobicContact CD2-SD 4.34Å; L56-M108 HydrophobicContact CG-SD 4.4Å |
| 57 | Y | 88 | Confident | 87.8 | Confident | 32 Ų | 32 | 44 Ų | 44 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.1 | -55.5 | 176.2 | -179 | -95.4 | 0 | 0 | 0 | 110.8 | A53 T55 S59 T60 T61 M108 V113 T136 M137 I139 V142 | A53-Y57 WeakPolarHBondContact O-CB 3.34Å; A53-Y57 PolarHBondContact O-N 2.92Å; T55-Y57 PolarHBondContact O-N 3.23Å; Y57-S59 PolarHBondContact O-N 2.87Å; Y57-T60 PolarHBondContact O-N 3.47Å; Y57-T60 VanDerWaalsContact O-N 3.13Å; Y57-T61 HydrophobicContact CD1-CG2 4.06Å; Y57-T61 HydrophobicContact CD2-CG2 4.48Å; Y57-T61 HydrophobicContact CE1-CG2 3.77Å; Y57-T61 HydrophobicContact CE2-CG2 4.23Å; Y57-T61 HydrophobicContact CG-CG2 4.42Å; Y57-T61 WeakPolarHBondContact O-CG2 3.39Å; Y57-T61 PolarHBondContact O-N 2.89Å; Y57-T61 PolarHBondContact O-OG1 3.34Å; Y57-M108 HydrophobicContact CD2-CE 3.66Å; Y57-M108 HydrophobicContact CD2-SD 4.3Å; Y57-M108 HydrophobicContact CE2-CE 4.43Å; Y57-V113 HydrophobicContact CD2-CG2 4.41Å; Y57-V113 HydrophobicContact CE2-CG2 4.32Å; Y57-T136 HydrophobicContact CD1-CG2 4.2Å; Y57-T136 HydrophobicContact CD2-CG2 4.16Å; Y57-T136 HydrophobicContact CE1-CG2 3.79Å; Y57-T136 HydrophobicContact CE2-CG2 3.73Å; Y57-T136 HydrophobicContact CG-CG2 4.36Å; Y57-M137 VanDerWaalsContact CE2-O 3.25Å; Y57-M137 WeakPolarHBondContact CE2-O 3.43Å; Y57-M137 PolarHBondContact OH-N 2.67Å; Y57-M137 VanDerWaalsContact OH-N 3.13Å; Y57-M137 PolarHBondContact OH-O 2.99Å; Y57-I139 HydrophobicContact CD2-CD1 4Å; Y57-I139 HydrophobicContact CE2-CD1 4.08Å; Y57-V142 HydrophobicContact CE2-CG2 4.21Å; Y57-V142 WeakPolarHBondContact OH-CG2 3.35Å |
| 58 | K | 88.1 | Confident | 88.3 | Confident | 138 Ų | 138 | 43.6 Ų | 43.6 | 60% | 0.6 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -55.5 | -51 | 179.2 | -73.7 | 178.3 | -179.1 | -177.4 | 0 | 112.3 | S54 T55 T60 T61 T62 | S54-K58 WeakPolarHBondContact O-CG 3.4Å; S54-K58 PolarHBondContact O-N 3.13Å; T55-K58 PolarHBondContact O-N 2.74Å; K58-T60 VanDerWaalsContact C-N 3.28Å; K58-T60 PolarHBondContact O-N 3.09Å; K58-T61 WeakPolarHBondContact CA-OG1 3.25Å; K58-T61 PolarHBondContact O-N 2.91Å; K58-T61 PolarHBondContact O-OG1 3.3Å; K58-T62 PolarHBondContact O-N 2.87Å; K58-T62 PolarHBondContact O-OG1 3.01Å; K58-T62 VanDerWaalsContact O-OG1 3.04Å |
| 59 | S | 90.1 | Very high | 89 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -35.1 | 179.6 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | T55 Y57 L63 | T55-S59 WeakPolarHBondContact O-CB 3.49Å; T55-S59 PolarHBondContact O-N 3.08Å; T55-S59 PolarHBondContact O-OG 3.34Å; T55-S59 VanDerWaalsContact O-OG 3.08Å; Y57-S59 PolarHBondContact O-N 2.87Å; S59-L63 WeakPolarHBondContact O-CG 3.45Å; S59-L63 PolarHBondContact O-N 3.4Å |
| 60 | T | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.2 | -46 | 174.5 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | V20 L56 Y57 K58 T62 L63 I64 L101 Y105 I139 | V20-T60 HydrophobicContact CG1-CG2 4.21Å; L56-T60 VanDerWaalsContact O-CB 3.31Å; L56-T60 WeakPolarHBondContact O-CB 3.45Å; L56-T60 PolarHBondContact O-N 2.66Å; L56-T60 PolarHBondContact O-OG1 2.83Å; Y57-T60 PolarHBondContact O-N 3.47Å; Y57-T60 VanDerWaalsContact O-N 3.13Å; K58-T60 VanDerWaalsContact C-N 3.28Å; K58-T60 PolarHBondContact O-N 3.09Å; T60-T62 VanDerWaalsContact C-N 3.28Å; T60-T62 PolarHBondContact O-N 2.77Å; T60-L63 PolarHBondContact O-N 3Å; T60-L63 VanDerWaalsContact O-N 3.11Å; T60-I64 HydrophobicContact CG2-CD1 4.18Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 3.19Å; T60-I64 VanDerWaalsContact O-N 3.07Å; T60-L101 HydrophobicContact CG2-CD2 4.17Å; T60-Y105 HydrophobicContact CG2-CE1 3.91Å; T60-Y105 HydrophobicContact CG2-CE2 4.49Å; T60-Y105 WeakPolarHBondContact OG1-CE1 3.46Å; T60-Y105 PolarHBondContact OG1-OH 3.47Å; T60-I139 HydrophobicContact CG2-CD1 4.05Å |
| 61 | T | 90.1 | Very high | 90.4 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -36.4 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | Y57 K58 I64 S65 V142 F146 | Y57-T61 HydrophobicContact CD1-CG2 4.06Å; Y57-T61 HydrophobicContact CD2-CG2 4.48Å; Y57-T61 HydrophobicContact CE1-CG2 3.77Å; Y57-T61 HydrophobicContact CE2-CG2 4.23Å; Y57-T61 HydrophobicContact CG-CG2 4.42Å; Y57-T61 WeakPolarHBondContact O-CG2 3.39Å; Y57-T61 PolarHBondContact O-N 2.89Å; Y57-T61 PolarHBondContact O-OG1 3.34Å; K58-T61 WeakPolarHBondContact CA-OG1 3.25Å; K58-T61 PolarHBondContact O-N 2.91Å; K58-T61 PolarHBondContact O-OG1 3.3Å; T61-I64 PolarHBondContact O-N 3.12Å; T61-S65 PolarHBondContact O-N 3.5Å; T61-S65 PolarHBondContact O-OG 3.49Å; T61-V142 HydrophobicContact CG2-CG1 3.76Å; T61-V142 HydrophobicContact CG2-CG2 4.35Å; T61-F146 WeakPolarHBondContact O-CE2 3.27Å |
| 62 | T | 92.2 | Very high | 90.9 | Very high | 65 Ų | 65 | 37 Ų | 37 | 40% | 0.399 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.6 | -42.3 | 174.2 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | K58 T60 I64 S65 E66 | K58-T62 PolarHBondContact O-N 2.87Å; K58-T62 PolarHBondContact O-OG1 3.01Å; K58-T62 VanDerWaalsContact O-OG1 3.04Å; T60-T62 VanDerWaalsContact C-N 3.28Å; T60-T62 PolarHBondContact O-N 2.77Å; T62-I64 VanDerWaalsContact C-N 3.3Å; T62-I64 PolarHBondContact O-N 3.35Å; T62-S65 PolarHBondContact O-N 2.76Å; T62-S65 PolarHBondContact O-OG 3.07Å; T62-E66 HydrophobicContact CG2-CG 4.45Å; T62-E66 WeakPolarHBondContact O-CB 3.4Å; T62-E66 VanDerWaalsContact O-CG 3.25Å; T62-E66 WeakPolarHBondContact O-CG 3.38Å; T62-E66 PolarHBondContact O-N 3.03Å |
| 63 | L | 92.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -35.6 | 176.3 | -64.9 | 173.6 | 0 | 0 | 0 | 112.3 | W13 R17 V20 L24 S59 T60 R67 | W13-L63 HydrophobicContact CH2-CD1 3.79Å; W13-L63 HydrophobicContact CZ2-CD1 3.64Å; W13-L63 HydrophobicContact CZ2-CG 4.41Å; R17-L63 HydrophobicContact CG-CD1 3.84Å; R17-L63 HydrophobicContact CG-CD2 4.41Å; V20-L63 HydrophobicContact CB-CD1 4.15Å; V20-L63 HydrophobicContact CG1-CB 4.45Å; V20-L63 HydrophobicContact CG1-CD1 3.75Å; L24-L63 HydrophobicContact CD1-CB 4.14Å; S59-L63 WeakPolarHBondContact O-CG 3.45Å; S59-L63 PolarHBondContact O-N 3.4Å; T60-L63 PolarHBondContact O-N 3Å; T60-L63 VanDerWaalsContact O-N 3.11Å; L63-R67 WeakPolarHBondContact O-CB 3.43Å; L63-R67 PolarHBondContact O-N 2.88Å; L63-R67 VanDerWaalsContact O-N 3.09Å |
| 64 | I | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -47.6 | 176.4 | -61.1 | 170.6 | 0 | 0 | 0 | 109.6 | L24 T60 T61 T62 R67 V68 Y94 L98 L101 I139 F146 | L24-I64 HydrophobicContact CD1-CG1 4.07Å; L24-I64 HydrophobicContact CD2-CG1 4.05Å; T60-I64 HydrophobicContact CG2-CD1 4.18Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 3.19Å; T60-I64 VanDerWaalsContact O-N 3.07Å; T61-I64 PolarHBondContact O-N 3.12Å; T62-I64 VanDerWaalsContact C-N 3.3Å; T62-I64 PolarHBondContact O-N 3.35Å; I64-R67 PolarHBondContact O-N 3.25Å; I64-V68 WeakPolarHBondContact O-CG2 3.38Å; I64-V68 PolarHBondContact O-N 2.82Å; I64-V68 VanDerWaalsContact O-N 3.07Å; I64-Y94 HydrophobicContact CG2-CE2 4.44Å; I64-Y94 WeakPolarHBondContact CG2-OH 3.37Å; I64-L98 HydrophobicContact CD1-CD1 4.33Å; I64-L101 HydrophobicContact CD1-CD2 3.99Å; I64-L101 HydrophobicContact CG1-CD2 4.17Å; I64-I139 HydrophobicContact CD1-CG2 3.98Å; I64-F146 HydrophobicContact CB-CD2 4.21Å; I64-F146 HydrophobicContact CB-CE2 4.49Å; I64-F146 HydrophobicContact CG2-CD2 3.82Å |
| 65 | S | 92.9 | Very high | 92 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 178.4 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | T61 T62 R67 V68 E69 | T61-S65 PolarHBondContact O-N 3.5Å; T61-S65 PolarHBondContact O-OG 3.49Å; T62-S65 PolarHBondContact O-N 2.76Å; T62-S65 PolarHBondContact O-OG 3.07Å; S65-R67 VanDerWaalsContact C-N 3.26Å; S65-R67 PolarHBondContact O-N 2.92Å; S65-V68 PolarHBondContact O-N 2.66Å; S65-V68 VanDerWaalsContact O-N 3.13Å; S65-E69 WeakPolarHBondContact O-CG 3.49Å; S65-E69 PolarHBondContact O-N 3.44Å |
| 66 | E | 93.9 | Very high | 92.2 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 45% | 0.453 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -54.1 | -43.1 | 175.8 | -76.5 | 172.4 | -175.3 | 0 | 0 | 111.6 | T62 E70 | T62-E66 HydrophobicContact CG2-CG 4.45Å; T62-E66 WeakPolarHBondContact O-CB 3.4Å; T62-E66 VanDerWaalsContact O-CG 3.25Å; T62-E66 WeakPolarHBondContact O-CG 3.38Å; T62-E66 PolarHBondContact O-N 3.03Å; E66-E70 WeakPolarHBondContact O-CB 3.35Å; E66-E70 PolarHBondContact O-N 3.24Å |
| 67 | R | 94.3 | Very high | 92.3 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 9% | 0.094 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 179.2 | -179.1 | 58.4 | 178.1 | 145.8 | 5.3 | 112.5 | L24 L63 I64 S65 E70 I71 Y94 | L24-R67 HydrophobicContact CB-CG 4.23Å; L24-R67 HydrophobicContact CD1-CB 4.45Å; L63-R67 WeakPolarHBondContact O-CB 3.43Å; L63-R67 PolarHBondContact O-N 2.88Å; L63-R67 VanDerWaalsContact O-N 3.09Å; I64-R67 PolarHBondContact O-N 3.25Å; S65-R67 VanDerWaalsContact C-N 3.26Å; S65-R67 PolarHBondContact O-N 2.92Å; R67-E70 WeakPolarHBondContact CD-OE2 3.44Å; R67-E70 IonicContact CZ-OE2 3.01Å; R67-E70 IonicContact NH1-OE1 2.69Å; R67-E70 PolarHBondContact NH1-OE1 3.14Å; R67-E70 IonicContact NH1-OE2 3.45Å; R67-E70 PolarHBondContact NH1-OE2 3.47Å; R67-I71 HydrophobicContact CG-CD1 4.25Å; R67-I71 WeakPolarHBondContact O-CG1 3.31Å; R67-I71 PolarHBondContact O-N 3.09Å; R67-I71 VanDerWaalsContact O-N 3.17Å; R67-Y94 HydrophobicContact CG-CD2 4.41Å |
| 68 | V | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.3 | -42 | 178.8 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | I64 S65 I71 A72 Y94 F146 W147 L151 | I64-V68 WeakPolarHBondContact O-CG2 3.38Å; I64-V68 PolarHBondContact O-N 2.82Å; I64-V68 VanDerWaalsContact O-N 3.07Å; S65-V68 PolarHBondContact O-N 2.66Å; S65-V68 VanDerWaalsContact O-N 3.13Å; V68-I71 PolarHBondContact O-N 3.3Å; V68-A72 WeakPolarHBondContact O-CB 3.18Å; V68-A72 PolarHBondContact O-N 2.86Å; V68-Y94 HydrophobicContact CG2-CE1 4.33Å; V68-Y94 HydrophobicContact CG2-CE2 3.76Å; V68-Y94 VanDerWaalsContact CG2-OH 3.31Å; V68-Y94 WeakPolarHBondContact CG2-OH 3.39Å; V68-F146 HydrophobicContact CG2-CB 4.18Å; V68-W147 HydrophobicContact CG2-CE3 4.37Å; V68-L151 HydrophobicContact CG1-CB 3.95Å; V68-L151 HydrophobicContact CG1-CD1 4.43Å |
| 69 | E | 93.8 | Very high | 92.6 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.9 | -71.8 | 175.6 | 178.8 | 0 | 0 | 112.3 | S65 I71 A72 S73 | S65-E69 WeakPolarHBondContact O-CG 3.49Å; S65-E69 PolarHBondContact O-N 3.44Å; E69-I71 PolarHBondContact O-N 3.09Å; E69-A72 PolarHBondContact O-N 2.79Å; E69-S73 WeakPolarHBondContact O-CB 3.3Å; E69-S73 PolarHBondContact O-N 2.92Å; E69-S73 PolarHBondContact O-OG 3.27Å |
| 70 | E | 94.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 172.5 | -178 | -165.4 | 168.5 | 0 | 0 | 111 | R25 E66 R67 S73 E74 | R25-E70 IonicContact CZ-OE1 3.98Å; R25-E70 IonicContact CZ-OE2 2.88Å; R25-E70 IonicContact NH1-OE1 3.07Å; R25-E70 PolarHBondContact NH1-OE1 3.31Å; R25-E70 VanDerWaalsContact NH1-OE1 3.07Å; R25-E70 IonicContact NH1-OE2 3.78Å; R25-E70 IonicContact NH2-OE1 3.72Å; R25-E70 PolarHBondContact NH2-OE1 3.22Å; R25-E70 IonicContact NH2-OE2 3.82Å; R25-E70 PolarHBondContact NH2-OE2 3.41Å; E66-E70 WeakPolarHBondContact O-CB 3.35Å; E66-E70 PolarHBondContact O-N 3.24Å; R67-E70 WeakPolarHBondContact CD-OE2 3.44Å; R67-E70 IonicContact CZ-OE2 3.01Å; R67-E70 IonicContact NH1-OE1 2.69Å; R67-E70 PolarHBondContact NH1-OE1 3.14Å; R67-E70 IonicContact NH1-OE2 3.45Å; R67-E70 PolarHBondContact NH1-OE2 3.47Å; E70-S73 PolarHBondContact O-N 3.47Å; E70-S73 PolarHBondContact O-OG 3.1Å; E70-E74 PolarHBondContact O-N 3.07Å; E70-E74 VanDerWaalsContact O-N 3.16Å |
| 71 | I | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 178.1 | -64.7 | 168.6 | 0 | 0 | 0 | 110.8 | R67 V68 E69 S73 E74 L75 F90 W147 L151 | R67-I71 HydrophobicContact CG-CD1 4.25Å; R67-I71 WeakPolarHBondContact O-CG1 3.31Å; R67-I71 PolarHBondContact O-N 3.09Å; R67-I71 VanDerWaalsContact O-N 3.17Å; V68-I71 PolarHBondContact O-N 3.3Å; E69-I71 PolarHBondContact O-N 3.09Å; I71-S73 VanDerWaalsContact C-N 3.34Å; I71-S73 PolarHBondContact O-N 3.27Å; I71-E74 PolarHBondContact O-N 3.29Å; I71-L75 HydrophobicContact CG2-CD1 3.89Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 WeakPolarHBondContact O-CG 3.48Å; I71-L75 PolarHBondContact O-N 3.38Å; I71-F90 HydrophobicContact CD1-CD1 4.31Å; I71-F90 HydrophobicContact CG1-CD1 4.16Å; I71-F90 HydrophobicContact CG1-CE1 4.4Å; I71-F90 HydrophobicContact CG1-CG 4.49Å; I71-F90 HydrophobicContact CG2-CB 3.81Å; I71-F90 HydrophobicContact CG2-CD1 4.19Å; I71-F90 HydrophobicContact CG2-CD2 3.72Å; I71-F90 HydrophobicContact CG2-CE2 4.25Å; I71-F90 HydrophobicContact CG2-CG 3.68Å; I71-W147 HydrophobicContact CD1-CZ3 3.92Å; I71-W147 HydrophobicContact CG2-CH2 4.15Å; I71-W147 HydrophobicContact CG2-CZ3 4.32Å; I71-L151 HydrophobicContact CB-CD1 4.18Å; I71-L151 HydrophobicContact CG2-CD1 3.62Å |
| 72 | A | 93.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V68 E69 E74 L75 E76 Y150 L151 | V68-A72 WeakPolarHBondContact O-CB 3.18Å; V68-A72 PolarHBondContact O-N 2.86Å; E69-A72 PolarHBondContact O-N 2.79Å; A72-E74 VanDerWaalsContact C-N 3.33Å; A72-E74 PolarHBondContact O-N 3.44Å; A72-L75 PolarHBondContact O-N 3.27Å; A72-E76 WeakPolarHBondContact O-CB 3.44Å; A72-E76 PolarHBondContact O-N 3.11Å; A72-Y150 WeakPolarHBondContact CB-O 3.43Å; A72-L151 HydrophobicContact CB-CB 4.21Å; A72-L151 HydrophobicContact CB-CG 4.2Å |
| 73 | S | 92.9 | Very high | 92.6 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 177.2 | 73.4 | 0 | 0 | 0 | 0 | 113.1 | E69 E70 I71 | E69-S73 WeakPolarHBondContact O-CB 3.3Å; E69-S73 PolarHBondContact O-N 2.92Å; E69-S73 PolarHBondContact O-OG 3.27Å; E70-S73 PolarHBondContact O-N 3.47Å; E70-S73 PolarHBondContact O-OG 3.1Å; I71-S73 VanDerWaalsContact C-N 3.34Å; I71-S73 PolarHBondContact O-N 3.27Å |
| 74 | E | 93.5 | Very high | 92.7 | Very high | 70 Ų | 70 | 49 Ų | 49 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 176 | -169.9 | -179 | 143.9 | 0 | 0 | 111.7 | E70 I71 A72 M78 R86 F90 | E70-E74 PolarHBondContact O-N 3.07Å; E70-E74 VanDerWaalsContact O-N 3.16Å; I71-E74 PolarHBondContact O-N 3.29Å; A72-E74 VanDerWaalsContact C-N 3.33Å; A72-E74 PolarHBondContact O-N 3.44Å; E74-M78 PolarHBondContact O-N 3.04Å; E74-R86 IonicContact OE1-CZ 2.82Å; E74-R86 VanDerWaalsContact OE1-CZ 3.24Å; E74-R86 IonicContact OE1-NE 3.55Å; E74-R86 PolarHBondContact OE1-NE 3.03Å; E74-R86 IonicContact OE1-NH2 2.66Å; E74-R86 PolarHBondContact OE1-NH2 2.89Å; E74-R86 IonicContact OE2-NH2 3.24Å; E74-F90 VanDerWaalsContact CD-CZ 3.45Å; E74-F90 HydrophobicContact CG-CE2 4.45Å; E74-F90 HydrophobicContact CG-CZ 4.5Å; E74-F90 VanDerWaalsContact OE1-CZ 3.31Å; E74-F90 WeakPolarHBondContact OE1-CZ 2.98Å; E74-F90 WeakPolarHBondContact OE2-CZ 3.43Å |
| 75 | L | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.8 | -31.8 | 178.5 | -70.1 | 175.9 | 0 | 0 | 0 | 112.6 | I71 A72 V77 M78 L83 R86 Y87 F90 L151 I155 R158 | I71-L75 HydrophobicContact CG2-CD1 3.89Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 WeakPolarHBondContact O-CG 3.48Å; I71-L75 PolarHBondContact O-N 3.38Å; A72-L75 PolarHBondContact O-N 3.27Å; L75-V77 PolarHBondContact O-N 3.32Å; L75-M78 HydrophobicContact CD2-SD 4.49Å; L75-M78 WeakPolarHBondContact O-CB 3.25Å; L75-M78 PolarHBondContact O-N 2.89Å; L75-L83 HydrophobicContact CB-CD1 4.19Å; L75-L83 HydrophobicContact CD2-CD1 4.14Å; L75-L83 WeakPolarHBondContact O-CD1 3.35Å; L75-R86 HydrophobicContact CD2-CB 4Å; L75-R86 HydrophobicContact CD2-CG 3.85Å; L75-Y87 HydrophobicContact CD1-CD2 4.02Å; L75-F90 HydrophobicContact CD1-CD2 4.4Å; L75-F90 HydrophobicContact CD2-CD2 3.96Å; L75-F90 HydrophobicContact CD2-CE2 4.23Å; L75-F90 HydrophobicContact CG-CD2 4.16Å; L75-F90 HydrophobicContact CG-CE2 4.42Å; L75-L151 HydrophobicContact CD1-CD1 4.06Å; L75-L151 HydrophobicContact CD1-CD2 4.14Å; L75-L151 HydrophobicContact CD1-CG 4.28Å; L75-I155 HydrophobicContact CB-CD1 4.4Å; L75-I155 HydrophobicContact CD1-CD1 4.06Å; L75-R158 PolarHBondContact O-NH1 3.24Å |
| 76 | E | 91.1 | Very high | 92.9 | Very high | 130 Ų | 130 | 53.4 Ų | 53.4 | 61% | 0.607 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.9 | -40.9 | 179.7 | -172.6 | 173.5 | -167 | 0 | 0 | 112 | A72 R158 | A72-E76 WeakPolarHBondContact O-CB 3.44Å; A72-E76 PolarHBondContact O-N 3.11Å; E76-R158 PolarHBondContact O-NH1 2.98Å |
| 77 | V | 90.9 | Very high | 93 | Very high | 131 Ų | 131 | 48.8 Ų | 48.8 | 79% | 0.794 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -82.5 | -13.7 | -179.3 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | L75 | L75-V77 PolarHBondContact O-N 3.32Å |
| 78 | M | 91.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 48 Ų | 48 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -66.4 | 153.4 | -178.3 | -167.5 | 155.8 | -66.3 | 0 | 0 | 112.6 | E74 L75 D82 R86 R158 | E74-M78 PolarHBondContact O-N 3.04Å; L75-M78 HydrophobicContact CD2-SD 4.49Å; L75-M78 WeakPolarHBondContact O-CB 3.25Å; L75-M78 PolarHBondContact O-N 2.89Å; M78-D82 HydrophobicContact CG-CB 4Å; M78-D82 HydrophobicContact SD-CB 3.98Å; M78-R86 HydrophobicContact CE-CB 4.09Å; M78-R86 HydrophobicContact CE-CG 3.59Å; M78-R86 HydrophobicContact SD-CB 3.38Å; M78-R86 WeakPolarHBondContact SD-CB 3.48Å; M78-R86 HydrophobicContact SD-CG 3.61Å; M78-R158 PolarHBondContact O-NH2 3.36Å |
| 79 | S | 91.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | trans | -71.2 | 154 | 171.8 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | S81 D82 L83 | S79-S81 PolarHBondContact O-N 2.97Å; S79-S81 PolarHBondContact OG-OG 3.02Å; S79-D82 PolarHBondContact O-N 3.02Å; S79-D82 PolarHBondContact OG-N 3.46Å; S79-D82 PolarHBondContact OG-OD2 3.19Å; S79-L83 WeakPolarHBondContact O-CB 3.41Å; S79-L83 PolarHBondContact O-N 3.31Å | ||
| 80 | D | 89.3 | Confident | 93.3 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.5 | 174.9 | -68.4 | -14 | 0 | 0 | 0 | 113.3 | R158 C162 R165 | D80-R158 IonicContact OD1-CZ 2.8Å; D80-R158 VanDerWaalsContact OD1-CZ 3.26Å; D80-R158 IonicContact OD1-NE 2.72Å; D80-R158 PolarHBondContact OD1-NE 2.93Å; D80-R158 IonicContact OD1-NH2 2.95Å; D80-R158 PolarHBondContact OD1-NH2 3.48Å; D80-C162 PolarHBondContact O-SG 2.76Å; D80-R165 PolarHBondContact O-NH1 3.23Å; D80-R165 PolarHBondContact O-NH2 3.18Å |
| 81 | S | 88.4 | Confident | 93.4 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 40% | 0.399 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -32.1 | 172.7 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | S79 Q177 | S79-S81 PolarHBondContact O-N 2.97Å; S79-S81 PolarHBondContact OG-OG 3.02Å; S81-Q177 PolarHBondContact O-NE2 3.07Å; S81-Q177 PolarHBondContact O-OE1 2.74Å |
| 82 | D | 91.8 | Very high | 93.4 | Very high | 88 Ų | 88 | 52.7 Ų | 52.7 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -9.7 | -172.8 | -57.8 | -59.8 | 0 | 0 | 0 | 113 | M78 S79 L84 P85 R86 | M78-D82 HydrophobicContact CG-CB 4Å; M78-D82 HydrophobicContact SD-CB 3.98Å; S79-D82 PolarHBondContact O-N 3.02Å; S79-D82 PolarHBondContact OG-N 3.46Å; S79-D82 PolarHBondContact OG-OD2 3.19Å; D82-L84 PolarHBondContact O-N 2.84Å; D82-P85 WeakPolarHBondContact O-CD 3.45Å; D82-R86 WeakPolarHBondContact O-CB 3.33Å; D82-R86 PolarHBondContact O-N 3.01Å |
| 83 | L | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.4 | -50.5 | -175.7 | -177.2 | 66.4 | 0 | 0 | 0 | 113.2 | L75 S79 R86 Y87 I155 R158 L159 | L75-L83 HydrophobicContact CB-CD1 4.19Å; L75-L83 HydrophobicContact CD2-CD1 4.14Å; L75-L83 WeakPolarHBondContact O-CD1 3.35Å; S79-L83 WeakPolarHBondContact O-CB 3.41Å; S79-L83 PolarHBondContact O-N 3.31Å; L83-R86 PolarHBondContact O-N 3.35Å; L83-Y87 VanDerWaalsContact O-CB 3.24Å; L83-Y87 WeakPolarHBondContact O-CB 3.39Å; L83-Y87 PolarHBondContact O-N 3.39Å; L83-I155 HydrophobicContact CD1-CD1 4.49Å; L83-R158 HydrophobicContact CD2-CB 3.71Å; L83-L159 HydrophobicContact CD2-CD2 4.21Å; L83-L159 HydrophobicContact CG-CD2 4.24Å |
| 84 | L | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -47.5 | -171 | -178 | 67.5 | 0 | 0 | 0 | 113 | D82 R86 Y87 V88 C162 L163 E166 C180 C184 | D82-L84 PolarHBondContact O-N 2.84Å; L84-R86 VanDerWaalsContact C-N 3.34Å; L84-R86 PolarHBondContact O-N 2.96Å; L84-Y87 PolarHBondContact O-N 2.95Å; L84-V88 WeakPolarHBondContact O-CG2 3.34Å; L84-V88 PolarHBondContact O-N 2.73Å; L84-C162 HydrophobicContact CB-CB 4.28Å; L84-L163 HydrophobicContact CD1-CD2 3.96Å; L84-L163 HydrophobicContact CD1-CG 4.45Å; L84-L163 HydrophobicContact CD2-CD2 4.28Å; L84-E166 HydrophobicContact CD2-CG 3.87Å; L84-C180 HydrophobicContact CD1-CB 4.42Å; L84-C180 HydrophobicContact CD2-CB 3.85Å; L84-C180 HydrophobicContact CG-CB 3.65Å; L84-C184 HydrophobicContact CD1-CB 3.83Å |
| 85 | P | 95.4 | Very high | 93.5 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 175.8 | -22.1 | 33.6 | 0 | 0 | 0 | 112.5 | D82 V88 K89 Q177 | D82-P85 WeakPolarHBondContact O-CD 3.45Å; P85-V88 PolarHBondContact O-N 2.71Å; P85-K89 WeakPolarHBondContact O-CB 3.38Å; P85-K89 PolarHBondContact O-N 3.4Å; P85-Q177 HydrophobicContact CG-CB 4.3Å; P85-Q177 HydrophobicContact CG-CG 3.88Å |
| 86 | R | 95.3 | Very high | 93.5 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 177.7 | -166.6 | 80.2 | 176.2 | 126.3 | -9.9 | 111.3 | E74 L75 M78 D82 L83 L84 V88 K89 F90 | E74-R86 IonicContact OE1-CZ 2.82Å; E74-R86 VanDerWaalsContact OE1-CZ 3.24Å; E74-R86 IonicContact OE1-NE 3.55Å; E74-R86 PolarHBondContact OE1-NE 3.03Å; E74-R86 IonicContact OE1-NH2 2.66Å; E74-R86 PolarHBondContact OE1-NH2 2.89Å; E74-R86 IonicContact OE2-NH2 3.24Å; L75-R86 HydrophobicContact CD2-CB 4Å; L75-R86 HydrophobicContact CD2-CG 3.85Å; M78-R86 HydrophobicContact CE-CB 4.09Å; M78-R86 HydrophobicContact CE-CG 3.59Å; M78-R86 HydrophobicContact SD-CB 3.38Å; M78-R86 WeakPolarHBondContact SD-CB 3.48Å; M78-R86 HydrophobicContact SD-CG 3.61Å; D82-R86 WeakPolarHBondContact O-CB 3.33Å; D82-R86 PolarHBondContact O-N 3.01Å; L83-R86 PolarHBondContact O-N 3.35Å; L84-R86 VanDerWaalsContact C-N 3.34Å; L84-R86 PolarHBondContact O-N 2.96Å; R86-V88 VanDerWaalsContact C-N 3.35Å; R86-V88 PolarHBondContact O-N 3.46Å; R86-K89 PolarHBondContact O-N 3.45Å; R86-F90 HydrophobicContact CG-CD2 3.68Å; R86-F90 HydrophobicContact CG-CE2 3.43Å; R86-F90 VanDerWaalsContact CG-CE2 3.43Å; R86-F90 HydrophobicContact CG-CZ 4.41Å; R86-F90 VanDerWaalsContact NE-CE2 3.32Å; R86-F90 VanDerWaalsContact O-CD2 3.29Å; R86-F90 WeakPolarHBondContact O-CD2 3.4Å; R86-F90 PolarHBondContact O-N 3.31Å |
| 87 | Y | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.8 | -50.3 | 173.8 | 173.8 | -92.9 | 0 | 0 | 0 | 111.1 | L75 L83 L84 K89 F90 W91 W147 L151 I155 L159 C184 S187 | L75-Y87 HydrophobicContact CD1-CD2 4.02Å; L83-Y87 VanDerWaalsContact O-CB 3.24Å; L83-Y87 WeakPolarHBondContact O-CB 3.39Å; L83-Y87 PolarHBondContact O-N 3.39Å; L84-Y87 PolarHBondContact O-N 2.95Å; Y87-K89 PolarHBondContact O-N 3.13Å; Y87-F90 PolarHBondContact O-N 3.17Å; Y87-W91 WeakPolarHBondContact O-CB 3.43Å; Y87-W91 PolarHBondContact O-N 3.27Å; Y87-W147 HydrophobicContact CD2-CZ2 4.35Å; Y87-W147 AromaticContact CE2-CZ2 3.83Å; Y87-W147 HydrophobicContact CE2-CZ2 3.83Å; Y87-W147 AromaticContact CE2-NE1 3.88Å; Y87-W147 AromaticContact CZ-NE1 3.85Å; Y87-W147 PolarHBondContact OH-NE1 2.71Å; Y87-L151 HydrophobicContact CD2-CD2 3.97Å; Y87-L151 HydrophobicContact CE2-CD2 3.53Å; Y87-I155 HydrophobicContact CD2-CD1 3.96Å; Y87-I155 HydrophobicContact CE2-CD1 4.37Å; Y87-L159 HydrophobicContact CD1-CD2 4.47Å; Y87-L159 HydrophobicContact CD2-CD1 4.2Å; Y87-L159 HydrophobicContact CD2-CD2 4.25Å; Y87-L159 HydrophobicContact CE2-CD1 4Å; Y87-L159 HydrophobicContact CG-CD2 4.08Å; Y87-C184 HydrophobicContact CD1-CB 4.33Å; Y87-C184 HydrophobicContact CE1-CB 4.27Å; Y87-C184 VanDerWaalsContact CE1-SG 3.58Å; Y87-S187 WeakPolarHBondContact CE1-OG 3.45Å; Y87-S187 PolarHBondContact OH-OG 3.17Å |
| 88 | V | 96.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 179.1 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | L84 P85 R86 F90 W91 E92 C180 P183 C184 | L84-V88 WeakPolarHBondContact O-CG2 3.34Å; L84-V88 PolarHBondContact O-N 2.73Å; P85-V88 PolarHBondContact O-N 2.71Å; R86-V88 VanDerWaalsContact C-N 3.35Å; R86-V88 PolarHBondContact O-N 3.46Å; V88-F90 VanDerWaalsContact C-N 3.32Å; V88-F90 PolarHBondContact O-N 3.48Å; V88-W91 PolarHBondContact O-N 3.02Å; V88-E92 HydrophobicContact CG1-CG 4.31Å; V88-E92 WeakPolarHBondContact O-CG 3.29Å; V88-E92 PolarHBondContact O-N 3.02Å; V88-C180 HydrophobicContact CG2-CB 3.87Å; V88-C180 WeakPolarHBondContact CG2-O 3.27Å; V88-P183 HydrophobicContact CB-CB 4.45Å; V88-P183 HydrophobicContact CG1-CB 3.57Å; V88-P183 HydrophobicContact CG1-CG 4.06Å; V88-P183 HydrophobicContact CG2-CB 4.04Å; V88-C184 HydrophobicContact CG2-CB 4.08Å |
| 89 | K | 95.5 | Very high | 93.9 | Very high | 134 Ų | 134 | 44.7 Ų | 44.7 | 58% | 0.583 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.4 | -42.1 | 178.4 | -177.5 | 175 | 177.4 | -179.2 | 0 | 112 | P85 R86 Y87 S93 | P85-K89 WeakPolarHBondContact O-CB 3.38Å; P85-K89 PolarHBondContact O-N 3.4Å; R86-K89 PolarHBondContact O-N 3.45Å; Y87-K89 PolarHBondContact O-N 3.13Å; K89-S93 WeakPolarHBondContact O-CB 3.25Å; K89-S93 PolarHBondContact O-N 2.8Å |
| 90 | F | 96 | Very high | 94 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 6% | 0.057 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.1 | -42.3 | 176.4 | -79.3 | -52 | 0 | 0 | 0 | 112.5 | I71 E74 L75 R86 Y87 V88 S93 Y94 W147 | I71-F90 HydrophobicContact CD1-CD1 4.31Å; I71-F90 HydrophobicContact CG1-CD1 4.16Å; I71-F90 HydrophobicContact CG1-CE1 4.4Å; I71-F90 HydrophobicContact CG1-CG 4.49Å; I71-F90 HydrophobicContact CG2-CB 3.81Å; I71-F90 HydrophobicContact CG2-CD1 4.19Å; I71-F90 HydrophobicContact CG2-CD2 3.72Å; I71-F90 HydrophobicContact CG2-CE2 4.25Å; I71-F90 HydrophobicContact CG2-CG 3.68Å; E74-F90 VanDerWaalsContact CD-CZ 3.45Å; E74-F90 HydrophobicContact CG-CE2 4.45Å; E74-F90 HydrophobicContact CG-CZ 4.5Å; E74-F90 VanDerWaalsContact OE1-CZ 3.31Å; E74-F90 WeakPolarHBondContact OE1-CZ 2.98Å; E74-F90 WeakPolarHBondContact OE2-CZ 3.43Å; L75-F90 HydrophobicContact CD1-CD2 4.4Å; L75-F90 HydrophobicContact CD2-CD2 3.96Å; L75-F90 HydrophobicContact CD2-CE2 4.23Å; L75-F90 HydrophobicContact CG-CD2 4.16Å; L75-F90 HydrophobicContact CG-CE2 4.42Å; R86-F90 HydrophobicContact CG-CD2 3.68Å; R86-F90 HydrophobicContact CG-CE2 3.43Å; R86-F90 VanDerWaalsContact CG-CE2 3.43Å; R86-F90 HydrophobicContact CG-CZ 4.41Å; R86-F90 VanDerWaalsContact NE-CE2 3.32Å; R86-F90 VanDerWaalsContact O-CD2 3.29Å; R86-F90 WeakPolarHBondContact O-CD2 3.4Å; R86-F90 PolarHBondContact O-N 3.31Å; Y87-F90 PolarHBondContact O-N 3.17Å; V88-F90 VanDerWaalsContact C-N 3.32Å; V88-F90 PolarHBondContact O-N 3.48Å; F90-S93 PolarHBondContact O-N 3.29Å; F90-Y94 WeakPolarHBondContact O-CB 3.5Å; F90-Y94 PolarHBondContact O-N 3.07Å; F90-W147 HydrophobicContact CB-CH2 4.03Å |
| 91 | W | 95.5 | Very high | 94.1 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 176 | 168.1 | -111.6 | 0 | 0 | 0 | 111.6 | Y87 V88 S93 Y94 H95 L144 W147 S187 R190 V191 | Y87-W91 WeakPolarHBondContact O-CB 3.43Å; Y87-W91 PolarHBondContact O-N 3.27Å; V88-W91 PolarHBondContact O-N 3.02Å; W91-S93 VanDerWaalsContact C-N 3.34Å; W91-S93 PolarHBondContact O-N 3.43Å; W91-Y94 PolarHBondContact O-N 3.13Å; W91-H95 HydrophobicContact CD2-CB 4.16Å; W91-H95 HydrophobicContact CE3-CB 4.24Å; W91-H95 HydrophobicContact CH2-CB 4.09Å; W91-H95 AromaticContact CH2-CD2 3.57Å; W91-H95 HydrophobicContact CZ2-CB 3.94Å; W91-H95 AromaticContact CZ2-CD2 3.52Å; W91-H95 AromaticContact CZ2-CG 3.81Å; W91-H95 HydrophobicContact CZ3-CB 4.23Å; W91-H95 WeakPolarHBondContact O-CB 3.44Å; W91-H95 PolarHBondContact O-N 3.39Å; W91-L144 HydrophobicContact CH2-CD2 3.57Å; W91-L144 HydrophobicContact CZ3-CD2 3.99Å; W91-W147 HydrophobicContact CB-CH2 4.32Å; W91-W147 HydrophobicContact CB-CZ2 3.85Å; W91-W147 AromaticContact CE3-CD2 3.91Å; W91-W147 HydrophobicContact CE3-CD2 3.91Å; W91-W147 AromaticContact CE3-CE2 3.56Å; W91-W147 HydrophobicContact CE3-CG 4.19Å; W91-W147 AromaticContact CE3-CZ2 3.94Å; W91-W147 HydrophobicContact CE3-CZ2 3.94Å; W91-W147 AromaticContact CE3-NE1 3.61Å; W91-W147 AromaticContact CZ3-CD1 3.92Å; W91-W147 HydrophobicContact CZ3-CD2 4.18Å; W91-W147 HydrophobicContact CZ3-CG 4.01Å; W91-S187 VanDerWaalsContact CD2-CB 3.46Å; W91-R190 HydrophobicContact CH2-CB 3.91Å; W91-R190 HydrophobicContact CZ2-CB 3.69Å; W91-R190 HydrophobicContact CZ2-CG 4.12Å; W91-V191 HydrophobicContact CH2-CG2 3.95Å; W91-V191 HydrophobicContact CZ3-CG2 3.9Å |
| 92 | E | 94.7 | Very high | 94.3 | Very high | 110 Ų | 110 | 41.8 Ų | 41.8 | 51% | 0.514 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.4 | -44.2 | -179.5 | -73.3 | 177.8 | 168.9 | 0 | 0 | 111.9 | V88 R96 | V88-E92 HydrophobicContact CG1-CG 4.31Å; V88-E92 WeakPolarHBondContact O-CG 3.29Å; V88-E92 PolarHBondContact O-N 3.02Å; E92-R96 WeakPolarHBondContact O-CB 3.36Å; E92-R96 PolarHBondContact O-N 2.88Å; E92-R96 VanDerWaalsContact O-N 3.13Å |
| 93 | S | 94.3 | Very high | 94.3 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -49.1 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | R25 C26 K89 F90 W91 G97 | R25-S93 PolarHBondContact O-OG 2.91Å; C26-S93 PolarHBondContact SG-O 3.42Å; K89-S93 WeakPolarHBondContact O-CB 3.25Å; K89-S93 PolarHBondContact O-N 2.8Å; F90-S93 PolarHBondContact O-N 3.29Å; W91-S93 VanDerWaalsContact C-N 3.34Å; W91-S93 PolarHBondContact O-N 3.43Å; S93-G97 PolarHBondContact O-N 2.78Å |
| 94 | Y | 94.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.3 | -48.8 | -176.9 | 174.4 | -102 | 0 | 0 | 0 | 111.6 | L24 I64 R67 V68 F90 W91 R96 G97 L98 G143 W147 | L24-Y94 HydrophobicContact CD2-CE2 4.2Å; I64-Y94 HydrophobicContact CG2-CE2 4.44Å; I64-Y94 WeakPolarHBondContact CG2-OH 3.37Å; R67-Y94 HydrophobicContact CG-CD2 4.41Å; V68-Y94 HydrophobicContact CG2-CE1 4.33Å; V68-Y94 HydrophobicContact CG2-CE2 3.76Å; V68-Y94 VanDerWaalsContact CG2-OH 3.31Å; V68-Y94 WeakPolarHBondContact CG2-OH 3.39Å; F90-Y94 WeakPolarHBondContact O-CB 3.5Å; F90-Y94 PolarHBondContact O-N 3.07Å; W91-Y94 PolarHBondContact O-N 3.13Å; Y94-R96 PolarHBondContact O-N 3.07Å; Y94-G97 PolarHBondContact O-N 2.99Å; Y94-L98 HydrophobicContact CE1-CD2 3.87Å; Y94-L98 VanDerWaalsContact O-CB 3.23Å; Y94-L98 WeakPolarHBondContact O-CB 3.31Å; Y94-L98 PolarHBondContact O-N 3.44Å; Y94-G143 VanDerWaalsContact OH-C 3.28Å; Y94-G143 WeakPolarHBondContact OH-CA 3.42Å; Y94-G143 PolarHBondContact OH-O 2.93Å; Y94-W147 HydrophobicContact CD1-CD2 4.03Å; Y94-W147 AromaticContact CD1-CE3 3.24Å; Y94-W147 HydrophobicContact CD1-CE3 3.24Å; Y94-W147 AromaticContact CD1-CZ3 3.58Å; Y94-W147 HydrophobicContact CD1-CZ3 3.58Å; Y94-W147 HydrophobicContact CD2-CE3 4.44Å; Y94-W147 HydrophobicContact CD2-CZ3 4.37Å; Y94-W147 HydrophobicContact CE1-CB 4.16Å; Y94-W147 HydrophobicContact CE1-CD2 4.2Å; Y94-W147 AromaticContact CE1-CE3 3.52Å; Y94-W147 HydrophobicContact CE1-CE3 3.52Å; Y94-W147 HydrophobicContact CE1-CG 4.48Å; Y94-W147 HydrophobicContact CE1-CZ3 4.27Å; Y94-W147 AromaticContact CG-CE3 3.74Å; Y94-W147 HydrophobicContact CG-CE3 3.74Å; Y94-W147 AromaticContact CG-CZ3 3.62Å; Y94-W147 HydrophobicContact CG-CZ3 3.62Å |
| 95 | H | 93.4 | Very high | 94 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | -179.9 | 176.7 | -91.5 | 0 | 0 | 0 | 112 | W91 L98 T99 | W91-H95 HydrophobicContact CD2-CB 4.16Å; W91-H95 HydrophobicContact CE3-CB 4.24Å; W91-H95 HydrophobicContact CH2-CB 4.09Å; W91-H95 AromaticContact CH2-CD2 3.57Å; W91-H95 HydrophobicContact CZ2-CB 3.94Å; W91-H95 AromaticContact CZ2-CD2 3.52Å; W91-H95 AromaticContact CZ2-CG 3.81Å; W91-H95 HydrophobicContact CZ3-CB 4.23Å; W91-H95 WeakPolarHBondContact O-CB 3.44Å; W91-H95 PolarHBondContact O-N 3.39Å; H95-L98 PolarHBondContact O-N 2.81Å; H95-T99 WeakPolarHBondContact O-CB 3.33Å; H95-T99 PolarHBondContact O-N 2.93Å; H95-T99 PolarHBondContact O-OG1 3.26Å |
| 96 | R | 94 | Very high | 93.7 | Very high | 149 Ų | 149 | 48.3 Ų | 48.3 | 56% | 0.562 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63.5 | -45 | 175.7 | -179.3 | 176.9 | -179.7 | 177.9 | -3.3 | 111.4 | E92 Y94 T99 Y100 | E92-R96 WeakPolarHBondContact O-CB 3.36Å; E92-R96 PolarHBondContact O-N 2.88Å; E92-R96 VanDerWaalsContact O-N 3.13Å; Y94-R96 PolarHBondContact O-N 3.07Å; R96-T99 WeakPolarHBondContact O-CB 3.15Å; R96-T99 PolarHBondContact O-N 2.79Å; R96-Y100 HydrophobicContact CG-CD2 4.22Å; R96-Y100 HydrophobicContact CG-CE2 3.6Å; R96-Y100 PolarHBondContact NE-OH 3.43Å; R96-Y100 VanDerWaalsContact NE-OH 3.12Å; R96-Y100 PolarHBondContact NH2-OH 2.95Å; R96-Y100 VanDerWaalsContact O-CD2 3.3Å; R96-Y100 WeakPolarHBondContact O-CD2 3.4Å; R96-Y100 PolarHBondContact O-N 3.44Å; R96-Y100 VanDerWaalsContact O-N 3.14Å |
| 97 | G | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L23 C26 S93 Y94 T99 Y100 L101 | L23-G97 WeakPolarHBondContact O-CA 3.15Å; C26-G97 VanDerWaalsContact SG-CA 3.59Å; C26-G97 PolarHBondContact SG-N 3Å; S93-G97 PolarHBondContact O-N 2.78Å; Y94-G97 PolarHBondContact O-N 2.99Å; G97-T99 VanDerWaalsContact C-N 3.34Å; G97-T99 PolarHBondContact O-N 3.23Å; G97-Y100 PolarHBondContact O-N 3.32Å; G97-L101 PolarHBondContact O-N 2.82Å |
| 98 | L | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 177.3 | -173.8 | 63.1 | 0 | 0 | 0 | 112.1 | I64 Y94 H95 L101 D102 I139 L140 L144 | I64-L98 HydrophobicContact CD1-CD1 4.33Å; Y94-L98 HydrophobicContact CE1-CD2 3.87Å; Y94-L98 VanDerWaalsContact O-CB 3.23Å; Y94-L98 WeakPolarHBondContact O-CB 3.31Å; Y94-L98 PolarHBondContact O-N 3.44Å; H95-L98 PolarHBondContact O-N 2.81Å; L98-L101 HydrophobicContact CD1-CD2 4.32Å; L98-L101 WeakPolarHBondContact O-CB 3.33Å; L98-L101 PolarHBondContact O-N 3.31Å; L98-D102 WeakPolarHBondContact O-CB 3.46Å; L98-D102 PolarHBondContact O-N 3.04Å; L98-I139 HydrophobicContact CD1-CG2 4.22Å; L98-L140 HydrophobicContact CB-CD1 4.42Å; L98-L140 HydrophobicContact CD2-CD1 3.75Å; L98-L140 HydrophobicContact CG-CD1 3.72Å; L98-L144 HydrophobicContact CD2-CG 4.38Å |
| 99 | T | 93.1 | Very high | 92.3 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 30% | 0.301 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63 | -43.1 | 174 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | H95 R96 G97 D102 I103 | H95-T99 WeakPolarHBondContact O-CB 3.33Å; H95-T99 PolarHBondContact O-N 2.93Å; H95-T99 PolarHBondContact O-OG1 3.26Å; R96-T99 WeakPolarHBondContact O-CB 3.15Å; R96-T99 PolarHBondContact O-N 2.79Å; G97-T99 VanDerWaalsContact C-N 3.34Å; G97-T99 PolarHBondContact O-N 3.23Å; T99-D102 PolarHBondContact O-N 3.41Å; T99-I103 HydrophobicContact CG2-CD1 4.48Å; T99-I103 WeakPolarHBondContact O-CG1 3.48Å; T99-I103 PolarHBondContact O-N 3.18Å; T99-I103 VanDerWaalsContact O-N 3.1Å |
| 100 | Y | 93 | Very high | 91.8 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 35% | 0.353 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.1 | -40.2 | 174.5 | -65.2 | -46.8 | 0 | 0 | 0 | 111.8 | W34 R96 G97 D102 I103 L104 | W34-Y100 WeakPolarHBondContact CH2-O 3.23Å; R96-Y100 HydrophobicContact CG-CD2 4.22Å; R96-Y100 HydrophobicContact CG-CE2 3.6Å; R96-Y100 PolarHBondContact NE-OH 3.43Å; R96-Y100 VanDerWaalsContact NE-OH 3.12Å; R96-Y100 PolarHBondContact NH2-OH 2.95Å; R96-Y100 VanDerWaalsContact O-CD2 3.3Å; R96-Y100 WeakPolarHBondContact O-CD2 3.4Å; R96-Y100 PolarHBondContact O-N 3.44Å; R96-Y100 VanDerWaalsContact O-N 3.14Å; G97-Y100 PolarHBondContact O-N 3.32Å; Y100-D102 VanDerWaalsContact C-N 3.29Å; Y100-D102 PolarHBondContact O-N 3.13Å; Y100-I103 HydrophobicContact CD1-CD1 4.36Å; Y100-I103 PolarHBondContact O-N 3.17Å; Y100-L104 PolarHBondContact O-N 3.21Å |
| 101 | L | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 175.3 | -175.9 | 64 | 0 | 0 | 0 | 111.4 | V20 L23 L24 T60 I64 G97 L98 I103 L104 Y105 I139 | V20-L101 HydrophobicContact CB-CD1 4.25Å; V20-L101 HydrophobicContact CG1-CD1 3.94Å; V20-L101 HydrophobicContact CG1-CD2 4.17Å; V20-L101 HydrophobicContact CG2-CD1 3.79Å; L23-L101 HydrophobicContact CD1-CB 4.5Å; L23-L101 HydrophobicContact CD1-CD1 4.11Å; L24-L101 HydrophobicContact CD2-CD2 3.92Å; L24-L101 HydrophobicContact CG-CD2 4.33Å; T60-L101 HydrophobicContact CG2-CD2 4.17Å; I64-L101 HydrophobicContact CD1-CD2 3.99Å; I64-L101 HydrophobicContact CG1-CD2 4.17Å; G97-L101 PolarHBondContact O-N 2.82Å; L98-L101 HydrophobicContact CD1-CD2 4.32Å; L98-L101 WeakPolarHBondContact O-CB 3.33Å; L98-L101 PolarHBondContact O-N 3.31Å; L101-I103 PolarHBondContact O-N 3.47Å; L101-L104 WeakPolarHBondContact O-CB 3.18Å; L101-L104 PolarHBondContact O-N 2.99Å; L101-Y105 HydrophobicContact CD1-CD2 3.68Å; L101-Y105 HydrophobicContact CD1-CE2 3.43Å; L101-Y105 VanDerWaalsContact CD1-CE2 3.43Å; L101-Y105 HydrophobicContact CG-CD2 4.24Å; L101-Y105 HydrophobicContact CG-CE2 4.36Å; L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 VanDerWaalsContact O-CD2 3.25Å; L101-Y105 WeakPolarHBondContact O-CD2 3.5Å; L101-Y105 PolarHBondContact O-N 3.3Å; L101-I139 HydrophobicContact CB-CG2 4.49Å; L101-I139 HydrophobicContact CD2-CG2 3.7Å; L101-I139 HydrophobicContact CG-CG2 3.77Å |
| 102 | D | 91 | Very high | 89.8 | Confident | 28 Ų | 28 | 50 Ų | 50 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 176.8 | -166.5 | 72.1 | 0 | 0 | 0 | 112.5 | L98 T99 Y100 L104 Y105 R106 N109 L140 | L98-D102 WeakPolarHBondContact O-CB 3.46Å; L98-D102 PolarHBondContact O-N 3.04Å; T99-D102 PolarHBondContact O-N 3.41Å; Y100-D102 VanDerWaalsContact C-N 3.29Å; Y100-D102 PolarHBondContact O-N 3.13Å; D102-L104 PolarHBondContact O-N 3.45Å; D102-Y105 CarbonylContact O-C 3.57Å; D102-Y105 PolarHBondContact O-N 3.45Å; D102-Y105 VanDerWaalsContact O-N 3.15Å; D102-R106 PolarHBondContact O-N 3.22Å; D102-N109 PolarHBondContact OD1-ND2 3.43Å; D102-L140 HydrophobicContact CB-CB 3.9Å; D102-L140 WeakPolarHBondContact OD1-CB 3.31Å; D102-L140 PolarHBondContact OD1-N 3.24Å |
| 103 | I | 91.8 | Very high | 88.7 | Confident | 80 Ų | 80 | 44.8 Ų | 44.8 | 41% | 0.41 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.9 | -46 | 173.3 | -67.7 | 165.5 | 0 | 0 | 0 | 110.9 | W34 F38 T99 Y100 L101 Y105 R106 | W34-I103 HydrophobicContact CZ2-CG2 4.47Å; F38-I103 HydrophobicContact CE1-CG2 4.42Å; F38-I103 HydrophobicContact CZ-CG2 4.29Å; T99-I103 HydrophobicContact CG2-CD1 4.48Å; T99-I103 WeakPolarHBondContact O-CG1 3.48Å; T99-I103 PolarHBondContact O-N 3.18Å; T99-I103 VanDerWaalsContact O-N 3.1Å; Y100-I103 HydrophobicContact CD1-CD1 4.36Å; Y100-I103 PolarHBondContact O-N 3.17Å; L101-I103 PolarHBondContact O-N 3.47Å; I103-Y105 PolarHBondContact O-N 2.93Å; I103-R106 VanDerWaalsContact O-CB 3.27Å; I103-R106 WeakPolarHBondContact O-CB 3.42Å; I103-R106 PolarHBondContact O-N 3.48Å |
| 104 | L | 91.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 177.5 | 177.6 | 61.2 | 0 | 0 | 0 | 111.5 | L16 V19 L23 W34 F38 V41 Y100 L101 D102 | L16-L104 HydrophobicContact CD1-CD2 4.11Å; V19-L104 HydrophobicContact CG1-CD2 4.19Å; L23-L104 HydrophobicContact CD1-CD2 3.88Å; W34-L104 HydrophobicContact CH2-CB 3.82Å; W34-L104 HydrophobicContact CZ3-CB 3.9Å; W34-L104 HydrophobicContact CZ3-CD1 4.39Å; W34-L104 HydrophobicContact CZ3-CD2 4.13Å; W34-L104 HydrophobicContact CZ3-CG 4.37Å; F38-L104 HydrophobicContact CB-CD1 4.49Å; F38-L104 HydrophobicContact CD1-CD1 3.96Å; F38-L104 HydrophobicContact CD2-CD1 3.88Å; F38-L104 HydrophobicContact CE1-CD1 4.1Å; F38-L104 HydrophobicContact CE2-CD1 4Å; F38-L104 HydrophobicContact CG-CD1 3.85Å; F38-L104 HydrophobicContact CZ-CD1 4.12Å; V41-L104 HydrophobicContact CG2-CD1 4.4Å; V41-L104 HydrophobicContact CG2-CG 4.23Å; Y100-L104 PolarHBondContact O-N 3.21Å; L101-L104 WeakPolarHBondContact O-CB 3.18Å; L101-L104 PolarHBondContact O-N 2.99Å; D102-L104 PolarHBondContact O-N 3.45Å |
| 105 | Y | 92.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 9.3 | -177.5 | -80.3 | -114.4 | 0 | 0 | 0 | 113.8 | V20 V41 L56 T60 L101 D102 I103 Y107 M108 N109 I139 | V20-Y105 HydrophobicContact CG2-CE2 4.09Å; V20-Y105 WeakPolarHBondContact CG2-OH 3.27Å; V41-Y105 HydrophobicContact CG2-CD2 4.37Å; V41-Y105 HydrophobicContact CG2-CE2 4.18Å; L56-Y105 HydrophobicContact CD1-CE1 4.17Å; L56-Y105 HydrophobicContact CD2-CE1 4.17Å; L56-Y105 HydrophobicContact CG-CE1 3.97Å; T60-Y105 HydrophobicContact CG2-CE1 3.91Å; T60-Y105 HydrophobicContact CG2-CE2 4.49Å; T60-Y105 WeakPolarHBondContact OG1-CE1 3.46Å; T60-Y105 PolarHBondContact OG1-OH 3.47Å; L101-Y105 HydrophobicContact CD1-CD2 3.68Å; L101-Y105 HydrophobicContact CD1-CE2 3.43Å; L101-Y105 VanDerWaalsContact CD1-CE2 3.43Å; L101-Y105 HydrophobicContact CG-CD2 4.24Å; L101-Y105 HydrophobicContact CG-CE2 4.36Å; L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 VanDerWaalsContact O-CD2 3.25Å; L101-Y105 WeakPolarHBondContact O-CD2 3.5Å; L101-Y105 PolarHBondContact O-N 3.3Å; D102-Y105 CarbonylContact O-C 3.57Å; D102-Y105 PolarHBondContact O-N 3.45Å; D102-Y105 VanDerWaalsContact O-N 3.15Å; I103-Y105 PolarHBondContact O-N 2.93Å; Y105-Y107 PolarHBondContact O-N 2.86Å; Y105-Y107 VanDerWaalsContact O-N 3.09Å; Y105-M108 HydrophobicContact CD1-CB 4.3Å; Y105-M108 HydrophobicContact CD1-CE 3.46Å; Y105-M108 VanDerWaalsContact CD1-CE 3.46Å; Y105-M108 HydrophobicContact CD1-SD 3.58Å; Y105-M108 VanDerWaalsContact CD1-SD 3.58Å; Y105-M108 HydrophobicContact CE1-CE 4.22Å; Y105-M108 HydrophobicContact CE1-SD 3.95Å; Y105-M108 HydrophobicContact CG-CE 4.38Å; Y105-M108 CarbonylContact O-C 3.54Å; Y105-M108 WeakPolarHBondContact O-CA 3.15Å; Y105-M108 WeakPolarHBondContact O-CB 3.38Å; Y105-M108 PolarHBondContact O-N 3.26Å; Y105-N109 PolarHBondContact O-N 3.39Å; Y105-I139 HydrophobicContact CD1-CD1 4.32Å; Y105-I139 HydrophobicContact CD1-CG1 3.86Å; Y105-I139 HydrophobicContact CG-CG1 4.04Å |
| 106 | R | 88.9 | Confident | 85.2 | Confident | 186 Ų | 186 | 55.5 Ų | 55.5 | 70% | 0.702 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -51.4 | -38.6 | -178.8 | -175.8 | 175.4 | 179.4 | 159 | 1.7 | 114 | D102 I103 T110 | D102-R106 PolarHBondContact O-N 3.22Å; I103-R106 VanDerWaalsContact O-CB 3.27Å; I103-R106 WeakPolarHBondContact O-CB 3.42Å; I103-R106 PolarHBondContact O-N 3.48Å; R106-T110 WeakPolarHBondContact O-CB 3.07Å; R106-T110 PolarHBondContact O-N 3.06Å; R106-T110 PolarHBondContact O-OG1 3.41Å |
| 107 | Y | 86.4 | Confident | 83.8 | Confident | 78 Ų | 78 | 53.1 Ų | 53.1 | 31% | 0.306 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 175.8 | -175.6 | -96.3 | 0 | 0 | 0 | 111.4 | Y42 C45 T46 Y105 T110 Q111 | Y42-Y107 HydrophobicContact CD2-CD1 4.05Å; Y42-Y107 AromaticContact CD2-CD2 3.84Å; Y42-Y107 HydrophobicContact CD2-CD2 3.84Å; Y42-Y107 AromaticContact CD2-CE1 3.75Å; Y42-Y107 HydrophobicContact CD2-CE1 3.75Å; Y42-Y107 AromaticContact CD2-CE2 3.53Å; Y42-Y107 HydrophobicContact CD2-CE2 3.53Å; Y42-Y107 HydrophobicContact CD2-CG 4.09Å; Y42-Y107 AromaticContact CD2-CZ 3.48Å; Y42-Y107 VanDerWaalsContact CD2-CZ 3.48Å; Y42-Y107 HydrophobicContact CE2-CD2 4.25Å; Y42-Y107 HydrophobicContact CE2-CE1 4.15Å; Y42-Y107 AromaticContact CE2-CE2 3.51Å; Y42-Y107 HydrophobicContact CE2-CE2 3.51Å; Y42-Y107 AromaticContact CE2-CZ 3.45Å; Y42-Y107 VanDerWaalsContact CE2-CZ 3.45Å; Y42-Y107 WeakPolarHBondContact CE2-OH 3.27Å; C45-Y107 HydrophobicContact CB-CD1 3.84Å; C45-Y107 HydrophobicContact CB-CE1 3.6Å; T46-Y107 HydrophobicContact CG2-CE1 3.99Å; T46-Y107 WeakPolarHBondContact CG2-OH 3.43Å; Y105-Y107 PolarHBondContact O-N 2.86Å; Y105-Y107 VanDerWaalsContact O-N 3.09Å; Y107-T110 PolarHBondContact O-N 3.46Å; Y107-Q111 HydrophobicContact CD1-CG 4.48Å; Y107-Q111 HydrophobicContact CD2-CG 4.09Å; Y107-Q111 HydrophobicContact CE1-CB 4.27Å; Y107-Q111 HydrophobicContact CE1-CG 4.15Å; Y107-Q111 HydrophobicContact CE2-CG 3.72Å; Y107-Q111 HydrophobicContact CG-CG 4.45Å; Y107-Q111 WeakPolarHBondContact O-CB 3.34Å; Y107-Q111 WeakPolarHBondContact O-CG 3.45Å; Y107-Q111 PolarHBondContact O-N 2.99Å |
| 108 | M | 85.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 178.1 | -171 | -161.2 | 73.3 | 0 | 0 | 111.4 | V41 L56 Y57 Y105 T110 H112 V113 I139 | V41-M108 HydrophobicContact CG1-CB 4.32Å; L56-M108 HydrophobicContact CD2-SD 4.34Å; L56-M108 HydrophobicContact CG-SD 4.4Å; Y57-M108 HydrophobicContact CD2-CE 3.66Å; Y57-M108 HydrophobicContact CD2-SD 4.3Å; Y57-M108 HydrophobicContact CE2-CE 4.43Å; Y105-M108 HydrophobicContact CD1-CB 4.3Å; Y105-M108 HydrophobicContact CD1-CE 3.46Å; Y105-M108 VanDerWaalsContact CD1-CE 3.46Å; Y105-M108 HydrophobicContact CD1-SD 3.58Å; Y105-M108 VanDerWaalsContact CD1-SD 3.58Å; Y105-M108 HydrophobicContact CE1-CE 4.22Å; Y105-M108 HydrophobicContact CE1-SD 3.95Å; Y105-M108 HydrophobicContact CG-CE 4.38Å; Y105-M108 CarbonylContact O-C 3.54Å; Y105-M108 WeakPolarHBondContact O-CA 3.15Å; Y105-M108 WeakPolarHBondContact O-CB 3.38Å; Y105-M108 PolarHBondContact O-N 3.26Å; M108-T110 VanDerWaalsContact C-N 3.27Å; M108-T110 PolarHBondContact O-N 3.25Å; M108-H112 HydrophobicContact CG-CB 4.05Å; M108-H112 WeakPolarHBondContact O-CA 3.29Å; M108-H112 VanDerWaalsContact O-CB 3.31Å; M108-H112 WeakPolarHBondContact O-CB 3.41Å; M108-H112 PolarHBondContact O-N 3.41Å; M108-V113 HydrophobicContact CE-CG2 4.13Å; M108-V113 PolarHBondContact O-N 2.89Å; M108-I139 HydrophobicContact CE-CD1 3.73Å; M108-I139 HydrophobicContact CE-CG1 3.49Å; M108-I139 VanDerWaalsContact CE-CG1 3.49Å |
| 109 | N | 85.9 | Confident | 80.7 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -55.6 | -44.8 | 173.7 | -73.7 | -5.3 | 0 | 0 | 0 | 110.8 | D102 Y105 V113 K114 E138 I139 | D102-N109 PolarHBondContact OD1-ND2 3.43Å; Y105-N109 PolarHBondContact O-N 3.39Å; N109-V113 WeakPolarHBondContact O-CB 3.38Å; N109-K114 WeakPolarHBondContact O-CG 3.32Å; N109-K114 PolarHBondContact O-N 2.83Å; N109-E138 HydrophobicContact CB-CG 3.95Å; N109-I139 PolarHBondContact OD1-N 3.47Å |
| 110 | T | 84.7 | Confident | 79 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -76.5 | -40.6 | -176.6 | -51.7 | 0 | 0 | 0 | 0 | 113.7 | R106 Y107 M108 K114 | R106-T110 WeakPolarHBondContact O-CB 3.07Å; R106-T110 PolarHBondContact O-N 3.06Å; R106-T110 PolarHBondContact O-OG1 3.41Å; Y107-T110 PolarHBondContact O-N 3.46Å; M108-T110 VanDerWaalsContact C-N 3.27Å; M108-T110 PolarHBondContact O-N 3.25Å; T110-K114 WeakPolarHBondContact O-CB 3.38Å |
| 111 | Q | 78.3 | Confident | 77.5 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | I | π-helix | trans | -100.4 | -24.2 | -169.2 | -63.9 | -63.5 | -21.9 | 0 | 0 | 114 | Y107 N115 | Y107-Q111 HydrophobicContact CD1-CG 4.48Å; Y107-Q111 HydrophobicContact CD2-CG 4.09Å; Y107-Q111 HydrophobicContact CE1-CB 4.27Å; Y107-Q111 HydrophobicContact CE1-CG 4.15Å; Y107-Q111 HydrophobicContact CE2-CG 3.72Å; Y107-Q111 HydrophobicContact CG-CG 4.45Å; Y107-Q111 WeakPolarHBondContact O-CB 3.34Å; Y107-Q111 WeakPolarHBondContact O-CG 3.45Å; Y107-Q111 PolarHBondContact O-N 2.99Å; Q111-N115 PolarHBondContact O-ND2 3.27Å |
| 112 | H | 72.5 | Confident | 76.1 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -108.7 | -52.5 | -179.8 | -174.6 | -91.2 | 0 | 0 | 0 | 110.8 | A53 S54 M108 L116 | A53-H112 HydrophobicContact CB-CB 4.14Å; A53-H112 WeakPolarHBondContact CB-CD2 3.47Å; S54-H112 PolarHBondContact N-NE2 3.24Å; M108-H112 HydrophobicContact CG-CB 4.05Å; M108-H112 WeakPolarHBondContact O-CA 3.29Å; M108-H112 VanDerWaalsContact O-CB 3.31Å; M108-H112 WeakPolarHBondContact O-CB 3.41Å; M108-H112 PolarHBondContact O-N 3.41Å; H112-L116 WeakPolarHBondContact O-CD1 3.36Å; H112-L116 VanDerWaalsContact O-CG 3.29Å; H112-L116 WeakPolarHBondContact O-CG 3.36Å; H112-L116 PolarHBondContact O-N 3.16Å |
| 113 | V | 71.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -71.3 | -49.6 | -174.8 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Y57 M108 N109 N115 L116 R117 T136 M137 E138 | Y57-V113 HydrophobicContact CD2-CG2 4.41Å; Y57-V113 HydrophobicContact CE2-CG2 4.32Å; M108-V113 HydrophobicContact CE-CG2 4.13Å; M108-V113 PolarHBondContact O-N 2.89Å; N109-V113 WeakPolarHBondContact O-CB 3.38Å; V113-N115 VanDerWaalsContact C-N 3.29Å; V113-N115 PolarHBondContact O-N 2.79Å; V113-L116 PolarHBondContact O-N 3.25Å; V113-R117 PolarHBondContact O-N 2.83Å; V113-T136 HydrophobicContact CB-CG2 4.44Å; V113-T136 HydrophobicContact CG1-CG2 4.19Å; V113-T136 VanDerWaalsContact CG1-O 3.27Å; V113-T136 WeakPolarHBondContact CG1-O 3.13Å; V113-T136 HydrophobicContact CG2-CG2 4.05Å; V113-M137 WeakPolarHBondContact CG1-O 3.37Å; V113-E138 HydrophobicContact CG1-CG 4.09Å |
| 114 | K | 71.1 | Confident | 72.9 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 43% | 0.426 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -62.1 | -32.6 | 178.9 | -75.1 | -175.5 | -175.9 | -175.4 | 0 | 113.9 | N109 T110 L116 R117 | N109-K114 WeakPolarHBondContact O-CG 3.32Å; N109-K114 PolarHBondContact O-N 2.83Å; T110-K114 WeakPolarHBondContact O-CB 3.38Å; K114-L116 PolarHBondContact O-N 3.4Å; K114-R117 WeakPolarHBondContact O-CB 3.34Å; K114-R117 PolarHBondContact O-N 3.07Å |
| 115 | N | 67.5 | Low | 71.5 | Confident | 119 Ų | 119 | 81 Ų | 81 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -73.6 | -17.9 | 176.8 | -72.9 | -19.7 | 0 | 0 | 0 | 112.9 | Q111 V113 | Q111-N115 PolarHBondContact O-ND2 3.27Å; V113-N115 VanDerWaalsContact C-N 3.29Å; V113-N115 PolarHBondContact O-N 2.79Å |
| 116 | L | 68.2 | Low | 69.7 | Low | 89 Ų | 89 | 82.8 Ų | 82.8 | 47% | 0.466 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -94.2 | -4.1 | 172.9 | -66.1 | 169.1 | 0 | 0 | 0 | 112.3 | H112 V113 K114 T136 | H112-L116 WeakPolarHBondContact O-CD1 3.36Å; H112-L116 VanDerWaalsContact O-CG 3.29Å; H112-L116 WeakPolarHBondContact O-CG 3.36Å; H112-L116 PolarHBondContact O-N 3.16Å; V113-L116 PolarHBondContact O-N 3.25Å; K114-L116 PolarHBondContact O-N 3.4Å; L116-T136 HydrophobicContact CD1-CG2 4.15Å; L116-T136 WeakPolarHBondContact CD1-OG1 3.4Å |
| 117 | R | 65.6 | Low | 67.9 | Low | 100 Ų | 100 | 78.4 Ų | 78.4 | 38% | 0.377 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -71.2 | 128.1 | 171.6 | -73.6 | -174.3 | 176.8 | 161.5 | 3 | 108.2 | V113 K114 S119 E138 E141 | V113-R117 PolarHBondContact O-N 2.83Å; K114-R117 WeakPolarHBondContact O-CB 3.34Å; K114-R117 PolarHBondContact O-N 3.07Å; R117-S119 PolarHBondContact O-N 2.86Å; R117-E138 IonicContact CZ-OE1 3.68Å; R117-E138 IonicContact NH1-OE1 3.69Å; R117-E138 IonicContact NH2-OE1 3.88Å; R117-E138 PolarHBondContact NH2-OE1 3Å; R117-E141 IonicContact NH2-OE1 2.71Å; R117-E141 IonicContact NH2-OE2 2.95Å; R117-E141 PolarHBondContact NH2-OE2 2.99Å |
| 118 | P | 61.5 | Low | 66 | Low | 38 Ų | 38 | 79.4 Ų | 79.4 | 25% | 0.247 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 136.5 | 166.7 | -17.7 | 29.2 | 0 | 0 | 0 | 108.9 | D122 M123 | P118-D122 HydrophobicContact CB-CB 3.72Å; P118-M123 HydrophobicContact CB-CG 4.03Å |
| 119 | S | 61.4 | Low | 63.9 | Low | 56 Ų | 56 | 85 Ų | 85 | 39% | 0.392 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 160 | 170.4 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | R117 A121 D122 M123 | R117-S119 PolarHBondContact O-N 2.86Å; S119-A121 PolarHBondContact O-N 3.47Å; S119-A121 VanDerWaalsContact O-N 3.13Å; S119-D122 WeakPolarHBondContact CB-OD2 3.48Å; S119-D122 PolarHBondContact N-OD2 3.24Å; S119-D122 WeakPolarHBondContact O-CA 3.46Å; S119-D122 WeakPolarHBondContact O-CB 3.43Å; S119-D122 PolarHBondContact O-N 2.94Å; S119-D122 PolarHBondContact OG-N 2.99Å; S119-D122 VanDerWaalsContact OG-N 3.13Å; S119-D122 PolarHBondContact OG-OD2 2.97Å; S119-M123 PolarHBondContact O-N 3.44Å |
| 120 | E | 58.2 | Low | 61.8 | Low | 166 Ų | 166 | 89.5 Ų | 89.5 | 78% | 0.776 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -54.9 | -32.7 | 173.9 | -158.9 | 175.1 | -165.4 | 0 | 0 | 111.1 | M123 C124 | E120-M123 PolarHBondContact O-N 3.44Å; E120-C124 WeakPolarHBondContact O-CB 3.31Å; E120-C124 PolarHBondContact O-N 3.26Å; E120-C124 PolarHBondContact O-SG 3.05Å |
| 121 | A | 59.6 | Low | 59.8 | Low | 54 Ų | 54 | 96.5 Ų | 96.5 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S119 M123 C124 Y125 | S119-A121 PolarHBondContact O-N 3.47Å; S119-A121 VanDerWaalsContact O-N 3.13Å; A121-M123 VanDerWaalsContact C-N 3.29Å; A121-M123 PolarHBondContact O-N 3.3Å; A121-C124 PolarHBondContact O-N 3.21Å; A121-Y125 HydrophobicContact CB-CD2 4.48Å; A121-Y125 WeakPolarHBondContact O-CB 3.26Å; A121-Y125 WeakPolarHBondContact O-CD2 3.26Å; A121-Y125 PolarHBondContact O-N 3.29Å |
| 122 | D | 64.1 | Low | 58 | Low | 92 Ų | 92 | 96.1 Ų | 96.1 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -32.4 | 175.3 | -61.2 | -47.5 | 0 | 0 | 0 | 111.7 | P118 S119 G126 | P118-D122 HydrophobicContact CB-CB 3.72Å; S119-D122 WeakPolarHBondContact CB-OD2 3.48Å; S119-D122 PolarHBondContact N-OD2 3.24Å; S119-D122 WeakPolarHBondContact O-CA 3.46Å; S119-D122 WeakPolarHBondContact O-CB 3.43Å; S119-D122 PolarHBondContact O-N 2.94Å; S119-D122 PolarHBondContact OG-N 2.99Å; S119-D122 VanDerWaalsContact OG-N 3.13Å; S119-D122 PolarHBondContact OG-OD2 2.97Å; D122-G126 WeakPolarHBondContact O-CA 3.32Å; D122-G126 PolarHBondContact O-N 2.92Å |
| 123 | M | 59.8 | Low | 56.4 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.3 | -36.7 | 175.2 | -65.2 | -177.5 | 64.6 | 0 | 0 | 112.8 | P118 S119 E120 A121 | P118-M123 HydrophobicContact CB-CG 4.03Å; S119-M123 PolarHBondContact O-N 3.44Å; E120-M123 PolarHBondContact O-N 3.44Å; A121-M123 VanDerWaalsContact C-N 3.29Å; A121-M123 PolarHBondContact O-N 3.3Å |
| 124 | C | 56 | Low | 55.1 | Low | 92 Ų | 92 | 108 Ų | 108 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -81.2 | -34 | -179.5 | -76.2 | 0 | 0 | 0 | 0 | 113.9 | E120 A121 | E120-C124 WeakPolarHBondContact O-CB 3.31Å; E120-C124 PolarHBondContact O-N 3.26Å; E120-C124 PolarHBondContact O-SG 3.05Å; A121-C124 PolarHBondContact O-N 3.21Å |
| 125 | Y | 63 | Low | 54.3 | Low | 208 Ų | 208 | 105.9 Ų | 105.9 | 82% | 0.816 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -119.9 | -11.6 | -172.5 | -59.9 | -78.6 | 0 | 0 | 0 | 113.9 | A121 | A121-Y125 HydrophobicContact CB-CD2 4.48Å; A121-Y125 WeakPolarHBondContact O-CB 3.26Å; A121-Y125 WeakPolarHBondContact O-CD2 3.26Å; A121-Y125 PolarHBondContact O-N 3.29Å |
| 126 | G | 54 | Low | 54.2 | Low | 36 Ų | 36 | 101.6 Ų | 101.6 | 37% | 0.371 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -78.9 | 149.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D122 A128 | D122-G126 WeakPolarHBondContact O-CA 3.32Å; D122-G126 PolarHBondContact O-N 2.92Å; G126-A128 PolarHBondContact O-N 3.03Å |
| 127 | A | 51.2 | Low | 54.7 | Low | 95 Ų | 95 | 99.1 Ų | 99.1 | 79% | 0.785 | 56% | 0.563 | S | S | * | * | trans | -54 | 128.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L129 | A127-L129 PolarHBondContact O-N 2.81Š| ||
| 128 | A | 45.7 | Very low | 55.7 | Low | 99 Ų | 99 | 96.2 Ų | 96.2 | 82% | 0.818 | 55% | 0.553 | S | S | * | * | trans | -46.3 | 104.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | G126 | G126-A128 PolarHBondContact O-N 3.03Š| ||
| 129 | L | 42.8 | Very low | 56.9 | Low | 117 Ų | 117 | 94.4 Ų | 94.4 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | trans | -64.9 | 132.4 | 177.8 | -76.6 | 165.1 | 0 | 0 | 0 | 108 | A127 M131 | A127-L129 PolarHBondContact O-N 2.81Å; L129-M131 PolarHBondContact O-N 3.13Å | ||
| 130 | P | 40.3 | Very low | 58.3 | Low | 99 Ų | 99 | 93.8 Ų | 93.8 | 64% | 0.643 | 53% | 0.534 | S | S | * | . | trans | -54.9 | 132.5 | -179.2 | -24.3 | 32 | 0 | 0 | 0 | 111.8 | A132 | P130-A132 PolarHBondContact O-N 2.86Š| ||
| 131 | M | 42.6 | Very low | 59.6 | Low | 202 Ų | 202 | 87.4 Ų | 87.4 | 100% | 0.995 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -20.4 | -173 | -124.7 | -179 | -101.7 | 0 | 0 | 115.4 | L129 | L129-M131 PolarHBondContact O-N 3.13Š|
| 132 | A | 41.5 | Very low | 61 | Low | 92 Ų | 92 | 85 Ų | 85 | 76% | 0.76 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -20.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P130 | P130-A132 PolarHBondContact O-N 2.86Š|
| 133 | D | 38.3 | Very low | 62.2 | Low | 118 Ų | 118 | 80.6 Ų | 80.6 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -121.3 | 121.9 | -171.5 | -90.3 | -42.8 | 0 | 0 | 0 | 113.7 | ||
| 134 | Q | 44.5 | Very low | 63.7 | Low | 171 Ų | 171 | 74.7 Ų | 74.7 | 80% | 0.799 | 43% | 0.431 | S | S | * | . | trans | 63.4 | 52.6 | 146.2 | -64.1 | 177.1 | 1.6 | 0 | 0 | 119.3 | ||||
| 135 | H | 55.8 | Low | 65.2 | Low | 52 Ų | 52 | 71 Ų | 71 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | trans | -94.4 | 112.7 | 153.8 | -64.6 | 75.4 | 0 | 0 | 0 | 108.1 | M137 | H135-M137 PolarHBondContact O-N 3.13Å; H135-M137 VanDerWaalsContact O-N 3.17Å | ||
| 136 | T | 65 | Low | 66.5 | Low | 29 Ų | 29 | 62.8 Ų | 62.8 | 18% | 0.178 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 116.3 | 179.9 | -40.2 | 0 | 0 | 0 | 0 | 107.8 | Y57 V113 L116 | Y57-T136 HydrophobicContact CD1-CG2 4.2Å; Y57-T136 HydrophobicContact CD2-CG2 4.16Å; Y57-T136 HydrophobicContact CE1-CG2 3.79Å; Y57-T136 HydrophobicContact CE2-CG2 3.73Å; Y57-T136 HydrophobicContact CG-CG2 4.36Å; V113-T136 HydrophobicContact CB-CG2 4.44Å; V113-T136 HydrophobicContact CG1-CG2 4.19Å; V113-T136 VanDerWaalsContact CG1-O 3.27Å; V113-T136 WeakPolarHBondContact CG1-O 3.13Å; V113-T136 HydrophobicContact CG2-CG2 4.05Å; L116-T136 HydrophobicContact CD1-CG2 4.15Å; L116-T136 WeakPolarHBondContact CD1-OG1 3.4Å |
| 137 | M | 77.4 | Confident | 68.3 | Low | 37 Ų | 37 | 61.1 Ų | 61.1 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 158.8 | -179.8 | -66.2 | -179.2 | -66 | 0 | 0 | 109.2 | Y57 V113 H135 E141 V142 A145 V194 | Y57-M137 VanDerWaalsContact CE2-O 3.25Å; Y57-M137 WeakPolarHBondContact CE2-O 3.43Å; Y57-M137 PolarHBondContact OH-N 2.67Å; Y57-M137 VanDerWaalsContact OH-N 3.13Å; Y57-M137 PolarHBondContact OH-O 2.99Å; V113-M137 WeakPolarHBondContact CG1-O 3.37Å; H135-M137 PolarHBondContact O-N 3.13Å; H135-M137 VanDerWaalsContact O-N 3.17Å; M137-E141 HydrophobicContact CB-CB 3.8Å; M137-V142 HydrophobicContact CB-CG2 3.72Å; M137-V142 HydrophobicContact CE-CG2 4.17Å; M137-A145 HydrophobicContact CE-CB 4.12Å; M137-V194 HydrophobicContact SD-CG1 3.61Å |
| 138 | E | 86.6 | Confident | 70.2 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 19% | 0.187 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 155.1 | 171.3 | -71.3 | 179.5 | -164.1 | 0 | 0 | 109.7 | N109 V113 R117 L140 E141 V142 | N109-E138 HydrophobicContact CB-CG 3.95Å; V113-E138 HydrophobicContact CG1-CG 4.09Å; R117-E138 IonicContact CZ-OE1 3.68Å; R117-E138 IonicContact NH1-OE1 3.69Å; R117-E138 IonicContact NH2-OE1 3.88Å; R117-E138 PolarHBondContact NH2-OE1 3Å; E138-L140 VanDerWaalsContact C-N 3.26Å; E138-L140 PolarHBondContact O-N 3.48Å; E138-E141 HydrophobicContact CB-CG 4.25Å; E138-E141 PolarHBondContact N-OE2 2.78Å; E138-E141 WeakPolarHBondContact O-CA 3.5Å; E138-E141 WeakPolarHBondContact O-CB 3.39Å; E138-E141 PolarHBondContact O-N 2.78Å; E138-V142 WeakPolarHBondContact O-CG2 3.38Å; E138-V142 PolarHBondContact O-N 3.02Å |
| 139 | I | 87.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.4 | -40.4 | -173.7 | -71.8 | -62.9 | 0 | 0 | 0 | 112.3 | Y57 T60 I64 L98 L101 Y105 M108 N109 V142 G143 | Y57-I139 HydrophobicContact CD2-CD1 4Å; Y57-I139 HydrophobicContact CE2-CD1 4.08Å; T60-I139 HydrophobicContact CG2-CD1 4.05Å; I64-I139 HydrophobicContact CD1-CG2 3.98Å; L98-I139 HydrophobicContact CD1-CG2 4.22Å; L101-I139 HydrophobicContact CB-CG2 4.49Å; L101-I139 HydrophobicContact CD2-CG2 3.7Å; L101-I139 HydrophobicContact CG-CG2 3.77Å; Y105-I139 HydrophobicContact CD1-CD1 4.32Å; Y105-I139 HydrophobicContact CD1-CG1 3.86Å; Y105-I139 HydrophobicContact CG-CG1 4.04Å; M108-I139 HydrophobicContact CE-CD1 3.73Å; M108-I139 HydrophobicContact CE-CG1 3.49Å; M108-I139 VanDerWaalsContact CE-CG1 3.49Å; N109-I139 PolarHBondContact OD1-N 3.47Å; I139-V142 PolarHBondContact O-N 3.44Å; I139-G143 PolarHBondContact O-N 3.39Å |
| 140 | L | 89.4 | Confident | 74.4 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 172.9 | -177.2 | 60.4 | 0 | 0 | 0 | 112.1 | L98 D102 E138 V142 G143 L144 | L98-L140 HydrophobicContact CB-CD1 4.42Å; L98-L140 HydrophobicContact CD2-CD1 3.75Å; L98-L140 HydrophobicContact CG-CD1 3.72Å; D102-L140 HydrophobicContact CB-CB 3.9Å; D102-L140 WeakPolarHBondContact OD1-CB 3.31Å; D102-L140 PolarHBondContact OD1-N 3.24Å; E138-L140 VanDerWaalsContact C-N 3.26Å; E138-L140 PolarHBondContact O-N 3.48Å; L140-V142 PolarHBondContact O-N 3.18Å; L140-G143 PolarHBondContact O-N 3.21Å; L140-L144 HydrophobicContact CD1-CD1 4.26Å; L140-L144 HydrophobicContact CD1-CG 4.34Å; L140-L144 HydrophobicContact CG-CD1 4.05Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 2.68Å |
| 141 | E | 87.3 | Confident | 76.9 | Confident | 32 Ų | 32 | 54 Ų | 54 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 179.9 | -66.4 | 179.5 | 133.3 | 0 | 0 | 111.9 | R117 M137 E138 L144 A145 V194 | R117-E141 IonicContact NH2-OE1 2.71Å; R117-E141 IonicContact NH2-OE2 2.95Å; R117-E141 PolarHBondContact NH2-OE2 2.99Å; M137-E141 HydrophobicContact CB-CB 3.8Å; E138-E141 HydrophobicContact CB-CG 4.25Å; E138-E141 PolarHBondContact N-OE2 2.78Å; E138-E141 WeakPolarHBondContact O-CA 3.5Å; E138-E141 WeakPolarHBondContact O-CB 3.39Å; E138-E141 PolarHBondContact O-N 2.78Å; E141-L144 PolarHBondContact O-N 3.35Å; E141-A145 WeakPolarHBondContact O-CB 3.4Å; E141-A145 PolarHBondContact O-N 3.45Å; E141-V194 HydrophobicContact CB-CG1 4.28Å; E141-V194 WeakPolarHBondContact O-CG2 3.35Å |
| 142 | V | 87.6 | Confident | 79.2 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | Y57 T61 M137 E138 I139 L140 L144 A145 F146 | Y57-V142 HydrophobicContact CE2-CG2 4.21Å; Y57-V142 WeakPolarHBondContact OH-CG2 3.35Å; T61-V142 HydrophobicContact CG2-CG1 3.76Å; T61-V142 HydrophobicContact CG2-CG2 4.35Å; M137-V142 HydrophobicContact CB-CG2 3.72Å; M137-V142 HydrophobicContact CE-CG2 4.17Å; E138-V142 WeakPolarHBondContact O-CG2 3.38Å; E138-V142 PolarHBondContact O-N 3.02Å; I139-V142 PolarHBondContact O-N 3.44Å; L140-V142 PolarHBondContact O-N 3.18Å; V142-L144 VanDerWaalsContact C-N 3.31Å; V142-L144 PolarHBondContact O-N 3.45Å; V142-A145 WeakPolarHBondContact O-CB 3.42Å; V142-A145 PolarHBondContact O-N 3.5Å; V142-F146 HydrophobicContact CG1-CD2 3.79Å; V142-F146 HydrophobicContact CG1-CE1 4.42Å; V142-F146 HydrophobicContact CG1-CE2 3.34Å; V142-F146 HydrophobicContact CG1-CZ 3.7Å; V142-F146 WeakPolarHBondContact O-CG 3.46Å; V142-F146 PolarHBondContact O-N 2.92Å |
| 143 | G | 89.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67 | -33.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y94 I139 L140 W147 | Y94-G143 VanDerWaalsContact OH-C 3.28Å; Y94-G143 WeakPolarHBondContact OH-CA 3.42Å; Y94-G143 PolarHBondContact OH-O 2.93Å; I139-G143 PolarHBondContact O-N 3.39Å; L140-G143 PolarHBondContact O-N 3.21Å; G143-W147 WeakPolarHBondContact O-CB 3.13Å; G143-W147 PolarHBondContact O-N 2.56Å |
| 144 | L | 90.8 | Very high | 84 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.9 | -42 | 171.2 | -68.7 | 174.3 | 0 | 0 | 0 | 111.5 | W91 L98 L140 E141 V142 F146 W147 R148 V191 V194 | W91-L144 HydrophobicContact CH2-CD2 3.57Å; W91-L144 HydrophobicContact CZ3-CD2 3.99Å; L98-L144 HydrophobicContact CD2-CG 4.38Å; L140-L144 HydrophobicContact CD1-CD1 4.26Å; L140-L144 HydrophobicContact CD1-CG 4.34Å; L140-L144 HydrophobicContact CG-CD1 4.05Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 2.68Å; E141-L144 PolarHBondContact O-N 3.35Å; V142-L144 VanDerWaalsContact C-N 3.31Å; V142-L144 PolarHBondContact O-N 3.45Å; L144-F146 PolarHBondContact O-N 3.18Å; L144-W147 WeakPolarHBondContact O-CB 3.45Å; L144-W147 PolarHBondContact O-N 3.14Å; L144-R148 PolarHBondContact O-N 2.82Å; L144-V191 HydrophobicContact CD2-CG2 4.27Å; L144-V194 HydrophobicContact CB-CG2 3.55Å; L144-V194 HydrophobicContact CD1-CG2 4.45Å |
| 145 | A | 87.5 | Confident | 86.3 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 12% | 0.124 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M137 E141 V142 R148 L149 V194 | M137-A145 HydrophobicContact CE-CB 4.12Å; E141-A145 WeakPolarHBondContact O-CB 3.4Å; E141-A145 PolarHBondContact O-N 3.45Å; V142-A145 WeakPolarHBondContact O-CB 3.42Å; V142-A145 PolarHBondContact O-N 3.5Å; A145-R148 WeakPolarHBondContact O-CB 3.45Å; A145-R148 PolarHBondContact O-N 2.87Å; A145-L149 WeakPolarHBondContact O-CG 3.16Å; A145-L149 PolarHBondContact O-N 3.41Å; A145-V194 HydrophobicContact CB-CG1 4.27Å; A145-V194 HydrophobicContact CB-CG2 4.39Å |
| 146 | F | 90.6 | Very high | 88.1 | Confident | 35 Ų | 35 | 33.5 Ų | 33.5 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 174.2 | -68.2 | -25.9 | 0 | 0 | 0 | 112.2 | T61 I64 V68 V142 L144 R148 L149 Y150 | T61-F146 WeakPolarHBondContact O-CE2 3.27Å; I64-F146 HydrophobicContact CB-CD2 4.21Å; I64-F146 HydrophobicContact CB-CE2 4.49Å; I64-F146 HydrophobicContact CG2-CD2 3.82Å; V68-F146 HydrophobicContact CG2-CB 4.18Å; V142-F146 HydrophobicContact CG1-CD2 3.79Å; V142-F146 HydrophobicContact CG1-CE1 4.42Å; V142-F146 HydrophobicContact CG1-CE2 3.34Å; V142-F146 HydrophobicContact CG1-CZ 3.7Å; V142-F146 WeakPolarHBondContact O-CG 3.46Å; V142-F146 PolarHBondContact O-N 2.92Å; L144-F146 PolarHBondContact O-N 3.18Å; F146-R148 PolarHBondContact O-N 3.45Å; F146-L149 PolarHBondContact O-N 3.38Å; F146-Y150 HydrophobicContact CB-CD2 3.84Å; F146-Y150 HydrophobicContact CB-CE2 4.09Å; F146-Y150 AromaticContact CD1-CD2 3.93Å; F146-Y150 HydrophobicContact CD1-CD2 3.93Å; F146-Y150 AromaticContact CD1-CE2 3.29Å; F146-Y150 HydrophobicContact CD1-CE2 3.29Å; F146-Y150 AromaticContact CD1-CZ 3.99Å; F146-Y150 AromaticContact CE1-CE2 3.78Å; F146-Y150 HydrophobicContact CE1-CE2 3.78Å; F146-Y150 HydrophobicContact CG-CD2 4.04Å; F146-Y150 AromaticContact CG-CE2 3.76Å; F146-Y150 HydrophobicContact CG-CE2 3.76Å; F146-Y150 WeakPolarHBondContact O-CB 3.24Å; F146-Y150 PolarHBondContact O-N 3.43Å |
| 147 | W | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -58.3 | -36.5 | 173.8 | -169.5 | -85.6 | 0 | 0 | 0 | 112.2 | V68 I71 Y87 F90 W91 Y94 G143 L144 L151 I152 V191 | V68-W147 HydrophobicContact CG2-CE3 4.37Å; I71-W147 HydrophobicContact CD1-CZ3 3.92Å; I71-W147 HydrophobicContact CG2-CH2 4.15Å; I71-W147 HydrophobicContact CG2-CZ3 4.32Å; Y87-W147 HydrophobicContact CD2-CZ2 4.35Å; Y87-W147 AromaticContact CE2-CZ2 3.83Å; Y87-W147 HydrophobicContact CE2-CZ2 3.83Å; Y87-W147 AromaticContact CE2-NE1 3.88Å; Y87-W147 AromaticContact CZ-NE1 3.85Å; Y87-W147 PolarHBondContact OH-NE1 2.71Å; F90-W147 HydrophobicContact CB-CH2 4.03Å; W91-W147 HydrophobicContact CB-CH2 4.32Å; W91-W147 HydrophobicContact CB-CZ2 3.85Å; W91-W147 AromaticContact CE3-CD2 3.91Å; W91-W147 HydrophobicContact CE3-CD2 3.91Å; W91-W147 AromaticContact CE3-CE2 3.56Å; W91-W147 HydrophobicContact CE3-CG 4.19Å; W91-W147 AromaticContact CE3-CZ2 3.94Å; W91-W147 HydrophobicContact CE3-CZ2 3.94Å; W91-W147 AromaticContact CE3-NE1 3.61Å; W91-W147 AromaticContact CZ3-CD1 3.92Å; W91-W147 HydrophobicContact CZ3-CD2 4.18Å; W91-W147 HydrophobicContact CZ3-CG 4.01Å; Y94-W147 HydrophobicContact CD1-CD2 4.03Å; Y94-W147 AromaticContact CD1-CE3 3.24Å; Y94-W147 HydrophobicContact CD1-CE3 3.24Å; Y94-W147 AromaticContact CD1-CZ3 3.58Å; Y94-W147 HydrophobicContact CD1-CZ3 3.58Å; Y94-W147 HydrophobicContact CD2-CE3 4.44Å; Y94-W147 HydrophobicContact CD2-CZ3 4.37Å; Y94-W147 HydrophobicContact CE1-CB 4.16Å; Y94-W147 HydrophobicContact CE1-CD2 4.2Å; Y94-W147 AromaticContact CE1-CE3 3.52Å; Y94-W147 HydrophobicContact CE1-CE3 3.52Å; Y94-W147 HydrophobicContact CE1-CG 4.48Å; Y94-W147 HydrophobicContact CE1-CZ3 4.27Å; Y94-W147 AromaticContact CG-CE3 3.74Å; Y94-W147 HydrophobicContact CG-CE3 3.74Å; Y94-W147 AromaticContact CG-CZ3 3.62Å; Y94-W147 HydrophobicContact CG-CZ3 3.62Å; G143-W147 WeakPolarHBondContact O-CB 3.13Å; G143-W147 PolarHBondContact O-N 2.56Å; L144-W147 WeakPolarHBondContact O-CB 3.45Å; L144-W147 PolarHBondContact O-N 3.14Å; W147-L151 HydrophobicContact CD2-CD1 4.05Å; W147-L151 HydrophobicContact CE3-CD1 3.92Å; W147-L151 HydrophobicContact CH2-CD1 3.63Å; W147-L151 HydrophobicContact CZ2-CD1 3.74Å; W147-L151 HydrophobicContact CZ2-CD2 4.11Å; W147-L151 HydrophobicContact CZ3-CD1 3.72Å; W147-L151 WeakPolarHBondContact O-CB 3.49Å; W147-L151 PolarHBondContact O-N 3.08Å; W147-I152 PolarHBondContact O-N 2.67Å; W147-V191 HydrophobicContact CB-CG2 4.41Å; W147-V191 HydrophobicContact CG-CG2 4.28Å |
| 148 | R | 89.3 | Confident | 90.3 | Very high | 78 Ų | 78 | 37 Ų | 37 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -63.3 | -62.8 | 171.7 | -166.8 | -179.6 | 162.9 | 170.2 | -1.7 | 111.9 | L144 A145 F146 I152 D153 V191 I204 | L144-R148 PolarHBondContact O-N 2.82Å; A145-R148 WeakPolarHBondContact O-CB 3.45Å; A145-R148 PolarHBondContact O-N 2.87Å; F146-R148 PolarHBondContact O-N 3.45Å; R148-I152 PolarHBondContact O-N 3.29Å; R148-D153 PolarHBondContact O-N 3.2Å; R148-V191 HydrophobicContact CB-CG1 3.37Å; R148-V191 HydrophobicContact CG-CG1 3.86Å; R148-I204 HydrophobicContact CG-CD1 4.05Å |
| 149 | L | 87.6 | Confident | 90.7 | Very high | 95 Ų | 95 | 35 Ų | 35 | 50% | 0.497 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -71.2 | -40.1 | -163.6 | -69.9 | 170.6 | 0 | 0 | 0 | 112.4 | A145 F146 | A145-L149 WeakPolarHBondContact O-CG 3.16Å; A145-L149 PolarHBondContact O-N 3.41Å; F146-L149 PolarHBondContact O-N 3.38Å |
| 150 | Y | 89.9 | Confident | 91.1 | Very high | 88 Ų | 88 | 35.8 Ų | 35.8 | 35% | 0.345 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -96.5 | -16.5 | -173.7 | -56.6 | -35.8 | 0 | 0 | 0 | 113.2 | A72 F146 C154 | A72-Y150 WeakPolarHBondContact CB-O 3.43Å; F146-Y150 HydrophobicContact CB-CD2 3.84Å; F146-Y150 HydrophobicContact CB-CE2 4.09Å; F146-Y150 AromaticContact CD1-CD2 3.93Å; F146-Y150 HydrophobicContact CD1-CD2 3.93Å; F146-Y150 AromaticContact CD1-CE2 3.29Å; F146-Y150 HydrophobicContact CD1-CE2 3.29Å; F146-Y150 AromaticContact CD1-CZ 3.99Å; F146-Y150 AromaticContact CE1-CE2 3.78Å; F146-Y150 HydrophobicContact CE1-CE2 3.78Å; F146-Y150 HydrophobicContact CG-CD2 4.04Å; F146-Y150 AromaticContact CG-CE2 3.76Å; F146-Y150 HydrophobicContact CG-CE2 3.76Å; F146-Y150 WeakPolarHBondContact O-CB 3.24Å; F146-Y150 PolarHBondContact O-N 3.43Å; Y150-C154 PolarHBondContact O-SG 3.21Å; Y150-C154 VanDerWaalsContact O-SG 3.4Å |
| 151 | L | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -121.8 | -68.3 | -176.3 | -168.9 | 163.2 | 0 | 0 | 0 | 111.9 | V68 I71 A72 L75 Y87 W147 D153 C154 I155 | V68-L151 HydrophobicContact CG1-CB 3.95Å; V68-L151 HydrophobicContact CG1-CD1 4.43Å; I71-L151 HydrophobicContact CB-CD1 4.18Å; I71-L151 HydrophobicContact CG2-CD1 3.62Å; A72-L151 HydrophobicContact CB-CB 4.21Å; A72-L151 HydrophobicContact CB-CG 4.2Å; L75-L151 HydrophobicContact CD1-CD1 4.06Å; L75-L151 HydrophobicContact CD1-CD2 4.14Å; L75-L151 HydrophobicContact CD1-CG 4.28Å; Y87-L151 HydrophobicContact CD2-CD2 3.97Å; Y87-L151 HydrophobicContact CE2-CD2 3.53Å; W147-L151 HydrophobicContact CD2-CD1 4.05Å; W147-L151 HydrophobicContact CE3-CD1 3.92Å; W147-L151 HydrophobicContact CH2-CD1 3.63Å; W147-L151 HydrophobicContact CZ2-CD1 3.74Å; W147-L151 HydrophobicContact CZ2-CD2 4.11Å; W147-L151 HydrophobicContact CZ3-CD1 3.72Å; W147-L151 WeakPolarHBondContact O-CB 3.49Å; W147-L151 PolarHBondContact O-N 3.08Å; L151-D153 VanDerWaalsContact C-N 3.32Å; L151-D153 PolarHBondContact O-N 3.07Å; L151-C154 PolarHBondContact O-N 3.45Å; L151-C154 VanDerWaalsContact O-N 3.11Å; L151-I155 HydrophobicContact CD2-CD1 3.74Å; L151-I155 HydrophobicContact CD2-CG1 4.18Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.17Å |
| 152 | I | 91.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -56.3 | -46.6 | -175.1 | -69.2 | 176.6 | 0 | 0 | 0 | 111.2 | W147 R148 C154 I155 K156 F188 V191 I204 I208 | W147-I152 PolarHBondContact O-N 2.67Å; R148-I152 PolarHBondContact O-N 3.29Å; I152-C154 PolarHBondContact O-N 3.11Å; I152-I155 PolarHBondContact O-N 3.48Å; I152-K156 WeakPolarHBondContact O-CA 3.33Å; I152-K156 VanDerWaalsContact O-CB 3.27Å; I152-K156 WeakPolarHBondContact O-CB 3.5Å; I152-K156 PolarHBondContact O-N 3.41Å; I152-F188 HydrophobicContact CD1-CD1 3.99Å; I152-F188 HydrophobicContact CD1-CE1 4.38Å; I152-V191 HydrophobicContact CD1-CB 4.25Å; I152-V191 HydrophobicContact CD1-CG1 4.16Å; I152-V191 HydrophobicContact CD1-CG2 3.91Å; I152-I204 HydrophobicContact CG2-CG2 4.24Å; I152-I208 HydrophobicContact CG2-CD1 3.42Å; I152-I208 VanDerWaalsContact CG2-CD1 3.42Å |
| 153 | D | 89.3 | Confident | 92.2 | Very high | 52 Ų | 52 | 35.8 Ų | 35.8 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64 | -27.5 | -177.5 | -89.4 | -44.3 | 0 | 0 | 0 | 113.8 | R148 L151 K156 | R148-D153 PolarHBondContact O-N 3.2Å; L151-D153 VanDerWaalsContact C-N 3.32Å; L151-D153 PolarHBondContact O-N 3.07Å; D153-K156 WeakPolarHBondContact O-CE 3.35Å; D153-K156 IonicContact OD1-NZ 3.62Å; D153-K156 PolarHBondContact OD1-NZ 2.95Å |
| 154 | C | 91.7 | Very high | 92.5 | Very high | 82 Ų | 82 | 37.3 Ų | 37.3 | 55% | 0.554 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -76.2 | -39.9 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | Y150 L151 I152 | Y150-C154 PolarHBondContact O-SG 3.21Å; Y150-C154 VanDerWaalsContact O-SG 3.4Å; L151-C154 PolarHBondContact O-N 3.45Å; L151-C154 VanDerWaalsContact O-N 3.11Å; I152-C154 PolarHBondContact O-N 3.11Å |
| 155 | I | 92.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -107.1 | 4.5 | -173 | 66.7 | 169.6 | 0 | 0 | 0 | 114.7 | L75 L83 Y87 L151 I152 S157 R158 L159 | L75-I155 HydrophobicContact CB-CD1 4.4Å; L75-I155 HydrophobicContact CD1-CD1 4.06Å; L83-I155 HydrophobicContact CD1-CD1 4.49Å; Y87-I155 HydrophobicContact CD2-CD1 3.96Å; Y87-I155 HydrophobicContact CE2-CD1 4.37Å; L151-I155 HydrophobicContact CD2-CD1 3.74Å; L151-I155 HydrophobicContact CD2-CG1 4.18Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.17Å; I152-I155 PolarHBondContact O-N 3.48Å; I155-S157 VanDerWaalsContact C-N 3.33Å; I155-S157 PolarHBondContact O-N 3.15Å; I155-R158 PolarHBondContact O-N 3.34Å; I155-R158 VanDerWaalsContact O-N 3.12Å; I155-L159 HydrophobicContact CD1-CD1 3.75Å; I155-L159 HydrophobicContact CD1-CD2 4.13Å; I155-L159 HydrophobicContact CD1-CG 3.85Å; I155-L159 HydrophobicContact CG1-CD1 3.72Å; I155-L159 HydrophobicContact CG1-CG 3.91Å; I155-L159 PolarHBondContact O-N 3.45Å |
| 156 | K | 93 | Very high | 93 | Very high | 66 Ų | 66 | 40.5 Ų | 40.5 | 29% | 0.287 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -53 | -40.9 | -174 | 56.9 | -175.8 | 167.3 | -160.3 | 0 | 115.2 | I152 D153 S160 I208 | I152-K156 WeakPolarHBondContact O-CA 3.33Å; I152-K156 VanDerWaalsContact O-CB 3.27Å; I152-K156 WeakPolarHBondContact O-CB 3.5Å; I152-K156 PolarHBondContact O-N 3.41Å; D153-K156 WeakPolarHBondContact O-CE 3.35Å; D153-K156 IonicContact OD1-NZ 3.62Å; D153-K156 PolarHBondContact OD1-NZ 2.95Å; K156-S160 WeakPolarHBondContact O-CB 3.15Å; K156-S160 PolarHBondContact O-N 2.98Å; K156-I208 HydrophobicContact CB-CD1 3.62Å; K156-I208 HydrophobicContact CB-CG1 3.91Å |
| 157 | S | 93.6 | Very high | 93.3 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 57% | 0.573 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64.8 | -44 | 179.9 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | I155 S160 S161 | I155-S157 VanDerWaalsContact C-N 3.33Å; I155-S157 PolarHBondContact O-N 3.15Å; S157-S160 WeakPolarHBondContact O-CB 3.38Å; S157-S160 PolarHBondContact O-N 3.34Å; S157-S161 PolarHBondContact O-N 3.17Å; S157-S161 PolarHBondContact O-OG 3.08Å |
| 158 | R | 95.1 | Very high | 93.4 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 21% | 0.211 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.1 | -41.7 | 178.7 | -63.3 | 178.7 | 60.1 | -157.7 | -5.2 | 112 | L75 E76 M78 D80 L83 I155 S160 S161 C162 | L75-R158 PolarHBondContact O-NH1 3.24Å; E76-R158 PolarHBondContact O-NH1 2.98Å; M78-R158 PolarHBondContact O-NH2 3.36Å; D80-R158 IonicContact OD1-CZ 2.8Å; D80-R158 VanDerWaalsContact OD1-CZ 3.26Å; D80-R158 IonicContact OD1-NE 2.72Å; D80-R158 PolarHBondContact OD1-NE 2.93Å; D80-R158 IonicContact OD1-NH2 2.95Å; D80-R158 PolarHBondContact OD1-NH2 3.48Å; L83-R158 HydrophobicContact CD2-CB 3.71Å; I155-R158 PolarHBondContact O-N 3.34Å; I155-R158 VanDerWaalsContact O-N 3.12Å; R158-S160 VanDerWaalsContact C-N 3.32Å; R158-S160 PolarHBondContact O-N 3.37Å; R158-S161 PolarHBondContact O-N 2.98Å; R158-C162 PolarHBondContact O-N 2.95Å; R158-C162 PolarHBondContact O-SG 2.9Å |
| 159 | L | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 172.7 | -73.8 | -179.7 | 0 | 0 | 0 | 111.2 | L83 Y87 I155 S161 C162 L163 F188 I208 | L83-L159 HydrophobicContact CD2-CD2 4.21Å; L83-L159 HydrophobicContact CG-CD2 4.24Å; Y87-L159 HydrophobicContact CD1-CD2 4.47Å; Y87-L159 HydrophobicContact CD2-CD1 4.2Å; Y87-L159 HydrophobicContact CD2-CD2 4.25Å; Y87-L159 HydrophobicContact CE2-CD1 4Å; Y87-L159 HydrophobicContact CG-CD2 4.08Å; I155-L159 HydrophobicContact CD1-CD1 3.75Å; I155-L159 HydrophobicContact CD1-CD2 4.13Å; I155-L159 HydrophobicContact CD1-CG 3.85Å; I155-L159 HydrophobicContact CG1-CD1 3.72Å; I155-L159 HydrophobicContact CG1-CG 3.91Å; I155-L159 PolarHBondContact O-N 3.45Å; L159-S161 PolarHBondContact O-N 3.26Å; L159-C162 PolarHBondContact O-N 2.91Å; L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 VanDerWaalsContact O-CG 3.27Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 3.47Å; L159-F188 HydrophobicContact CD1-CE1 4.14Å; L159-F188 HydrophobicContact CD1-CZ 4.21Å; L159-I208 HydrophobicContact CB-CG2 4.49Å |
| 160 | S | 95.8 | Very high | 94 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.3 | -50.9 | 175.8 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | K156 S157 R158 C162 L163 M164 I208 P212 | K156-S160 WeakPolarHBondContact O-CB 3.15Å; K156-S160 PolarHBondContact O-N 2.98Å; S157-S160 WeakPolarHBondContact O-CB 3.38Å; S157-S160 PolarHBondContact O-N 3.34Å; R158-S160 VanDerWaalsContact C-N 3.32Å; R158-S160 PolarHBondContact O-N 3.37Å; S160-C162 PolarHBondContact O-N 3.1Å; S160-L163 PolarHBondContact O-N 3.38Å; S160-M164 WeakPolarHBondContact O-CG 3.35Å; S160-M164 PolarHBondContact O-N 2.83Å; S160-I208 WeakPolarHBondContact CB-O 3.34Å; S160-I208 PolarHBondContact OG-O 3.33Å; S160-P212 WeakPolarHBondContact OG-CG 3.23Å |
| 161 | S | 95.3 | Very high | 94.2 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 52% | 0.524 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60 | -41.7 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | S157 R158 L159 M164 R165 | S157-S161 PolarHBondContact O-N 3.17Å; S157-S161 PolarHBondContact O-OG 3.08Å; R158-S161 PolarHBondContact O-N 2.98Å; L159-S161 PolarHBondContact O-N 3.26Å; S161-M164 PolarHBondContact O-N 3.38Å; S161-R165 WeakPolarHBondContact O-CB 3.33Å; S161-R165 PolarHBondContact O-N 3.46Å |
| 162 | C | 95.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.3 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | D80 L84 R158 L159 S160 M164 R165 E166 | D80-C162 PolarHBondContact O-SG 2.76Å; L84-C162 HydrophobicContact CB-CB 4.28Å; R158-C162 PolarHBondContact O-N 2.95Å; R158-C162 PolarHBondContact O-SG 2.9Å; L159-C162 PolarHBondContact O-N 2.91Å; S160-C162 PolarHBondContact O-N 3.1Å; C162-M164 PolarHBondContact O-N 2.96Å; C162-R165 WeakPolarHBondContact O-CB 3.49Å; C162-R165 PolarHBondContact O-N 3.45Å; C162-E166 WeakPolarHBondContact O-CG 3.37Å; C162-E166 PolarHBondContact O-N 2.95Å |
| 163 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 177.6 | -70.2 | 167.3 | 0 | 0 | 0 | 111.5 | L84 L159 S160 R165 E166 V167 I181 C184 L185 F188 F209 | L84-L163 HydrophobicContact CD1-CD2 3.96Å; L84-L163 HydrophobicContact CD1-CG 4.45Å; L84-L163 HydrophobicContact CD2-CD2 4.28Å; L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 VanDerWaalsContact O-CG 3.27Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 3.47Å; S160-L163 PolarHBondContact O-N 3.38Å; L163-R165 VanDerWaalsContact C-N 3.33Å; L163-R165 PolarHBondContact O-N 3.38Å; L163-E166 PolarHBondContact O-N 2.81Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 3.01Å; L163-V167 VanDerWaalsContact O-N 3.11Å; L163-I181 HydrophobicContact CD2-CB 4.42Å; L163-I181 HydrophobicContact CD2-CG1 4.25Å; L163-I181 HydrophobicContact CD2-CG2 4.24Å; L163-C184 HydrophobicContact CD2-CB 4.3Å; L163-L185 HydrophobicContact CD1-CD2 4.17Å; L163-F188 HydrophobicContact CD1-CE2 3.85Å; L163-F188 HydrophobicContact CD1-CZ 4.13Å; L163-F209 HydrophobicContact CB-CD2 3.89Å; L163-F209 HydrophobicContact CB-CE2 4.11Å; L163-F209 HydrophobicContact CD1-CB 4.48Å; L163-F209 HydrophobicContact CD1-CD2 3.87Å; L163-F209 HydrophobicContact CG-CD2 4.36Å |
| 164 | M | 95.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.9 | -65.8 | -49.2 | 103.5 | 0 | 0 | 112 | S160 S161 C162 V167 L168 F209 P212 L213 A216 | S160-M164 WeakPolarHBondContact O-CG 3.35Å; S160-M164 PolarHBondContact O-N 2.83Å; S161-M164 PolarHBondContact O-N 3.38Å; C162-M164 PolarHBondContact O-N 2.96Å; M164-V167 PolarHBondContact O-N 3.44Å; M164-L168 WeakPolarHBondContact O-CB 3.4Å; M164-L168 PolarHBondContact O-N 3.21Å; M164-F209 HydrophobicContact CE-CD2 3.43Å; M164-F209 VanDerWaalsContact CE-CD2 3.43Å; M164-F209 HydrophobicContact CE-CE2 3.6Å; M164-F209 HydrophobicContact CE-CG 4.38Å; M164-P212 HydrophobicContact CE-CB 4.27Å; M164-P212 HydrophobicContact CG-CB 4.21Å; M164-P212 VanDerWaalsContact SD-C 3.58Å; M164-P212 HydrophobicContact SD-CB 4Å; M164-L213 HydrophobicContact CE-CB 4.06Å; M164-L213 VanDerWaalsContact SD-CA 3.51Å; M164-L213 HydrophobicContact SD-CB 4.12Å; M164-L213 HydrophobicContact SD-CD1 4.45Å; M164-L213 PolarHBondContact SD-N 2.87Å; M164-L213 VanDerWaalsContact SD-N 3.45Å; M164-A216 HydrophobicContact SD-CB 4.35Å |
| 165 | R | 95 | Very high | 94.2 | Very high | 82 Ų | 82 | 47.5 Ų | 47.5 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 174.9 | -176.4 | -174.5 | 68.2 | -157.7 | -6.1 | 111.5 | D80 S161 C162 L163 V167 L168 N169 | D80-R165 PolarHBondContact O-NH1 3.23Å; D80-R165 PolarHBondContact O-NH2 3.18Å; S161-R165 WeakPolarHBondContact O-CB 3.33Å; S161-R165 PolarHBondContact O-N 3.46Å; C162-R165 WeakPolarHBondContact O-CB 3.49Å; C162-R165 PolarHBondContact O-N 3.45Å; L163-R165 VanDerWaalsContact C-N 3.33Å; L163-R165 PolarHBondContact O-N 3.38Å; R165-V167 PolarHBondContact O-N 3.27Å; R165-L168 PolarHBondContact O-N 2.94Å; R165-N169 WeakPolarHBondContact O-CB 3.41Å; R165-N169 VanDerWaalsContact O-CG 3.23Å; R165-N169 PolarHBondContact O-N 3.44Å; R165-N169 PolarHBondContact O-ND2 2.92Å |
| 166 | E | 95.4 | Very high | 94 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -34.2 | -179.2 | -62 | -42.5 | 129 | 0 | 0 | 112.9 | L84 C162 L163 N169 D170 Q177 Q178 I181 | L84-E166 HydrophobicContact CD2-CG 3.87Å; C162-E166 WeakPolarHBondContact O-CG 3.37Å; C162-E166 PolarHBondContact O-N 2.95Å; L163-E166 PolarHBondContact O-N 2.81Å; E166-N169 PolarHBondContact O-N 2.98Å; E166-N169 PolarHBondContact OE2-ND2 3.29Å; E166-D170 PolarHBondContact O-N 3.48Å; E166-Q177 HydrophobicContact CG-CB 4.22Å; E166-Q177 PolarHBondContact OE2-N 2.75Å; E166-Q178 HydrophobicContact CB-CG 4.47Å; E166-I181 HydrophobicContact CB-CD1 3.89Å; E166-I181 HydrophobicContact CB-CG1 4.15Å |
| 167 | V | 95.6 | Very high | 94 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 171.1 | 174.7 | 0 | 0 | 0 | 0 | 111 | L163 M164 R165 D170 R171 I181 F209 L213 Y256 | L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 3.01Å; L163-V167 VanDerWaalsContact O-N 3.11Å; M164-V167 PolarHBondContact O-N 3.44Å; R165-V167 PolarHBondContact O-N 3.27Å; V167-D170 PolarHBondContact O-N 2.94Å; V167-R171 PolarHBondContact O-N 3.12Å; V167-R171 VanDerWaalsContact O-N 3.12Å; V167-I181 HydrophobicContact CG2-CD1 4.26Å; V167-F209 HydrophobicContact CG2-CE2 4.36Å; V167-L213 HydrophobicContact CG1-CD1 3.89Å; V167-L213 HydrophobicContact CG2-CD1 4.25Å; V167-Y256 HydrophobicContact CG1-CE1 4.47Å; V167-Y256 HydrophobicContact CG2-CE1 3.96Å |
| 168 | L | 94.7 | Very high | 94 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 175.8 | -177.4 | 64.1 | 0 | 0 | 0 | 112 | M164 R165 D170 R171 L172 | M164-L168 WeakPolarHBondContact O-CB 3.4Å; M164-L168 PolarHBondContact O-N 3.21Å; R165-L168 PolarHBondContact O-N 2.94Å; L168-D170 VanDerWaalsContact C-N 3.28Å; L168-D170 PolarHBondContact O-N 3.33Å; L168-R171 WeakPolarHBondContact O-CB 3.42Å; L168-R171 PolarHBondContact O-N 2.89Å; L168-R171 VanDerWaalsContact O-N 3.14Å; L168-L172 HydrophobicContact CD1-CD1 4.38Å; L168-L172 HydrophobicContact CD1-CG 4.45Å; L168-L172 HydrophobicContact CG-CD1 4.1Å; L168-L172 WeakPolarHBondContact O-CG 3.32Å; L168-L172 PolarHBondContact O-N 3.26Å |
| 169 | N | 94.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 175.4 | -73.9 | -18.3 | 0 | 0 | 0 | 110.9 | R165 E166 R171 L172 G173 I174 | R165-N169 WeakPolarHBondContact O-CB 3.41Å; R165-N169 VanDerWaalsContact O-CG 3.23Å; R165-N169 PolarHBondContact O-N 3.44Å; R165-N169 PolarHBondContact O-ND2 2.92Å; E166-N169 PolarHBondContact O-N 2.98Å; E166-N169 PolarHBondContact OE2-ND2 3.29Å; N169-R171 PolarHBondContact O-N 2.9Å; N169-L172 CarbonylContact O-C 3.39Å; N169-L172 PolarHBondContact O-N 2.72Å; N169-G173 PolarHBondContact O-N 3.07Å; N169-G173 VanDerWaalsContact O-N 3.08Å; N169-I174 HydrophobicContact CB-CB 4.1Å; N169-I174 HydrophobicContact CB-CG2 4.45Å; N169-I174 PolarHBondContact O-N 3.29Å |
| 170 | D | 94.6 | Very high | 94 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 176.2 | -169.1 | 93.4 | 0 | 0 | 0 | 112.5 | E166 V167 L168 L172 G173 Q178 R251 Y255 | E166-D170 PolarHBondContact O-N 3.48Å; V167-D170 PolarHBondContact O-N 2.94Å; L168-D170 VanDerWaalsContact C-N 3.28Å; L168-D170 PolarHBondContact O-N 3.33Å; D170-L172 VanDerWaalsContact C-N 3.26Å; D170-L172 PolarHBondContact O-N 3.31Å; D170-G173 PolarHBondContact O-N 2.83Å; D170-G173 VanDerWaalsContact O-N 3.13Å; D170-Q178 HydrophobicContact CB-CG 4.03Å; D170-R251 IonicContact OD2-CZ 3.97Å; D170-R251 VanDerWaalsContact OD2-CZ 3.26Å; D170-R251 IonicContact OD2-NE 3.27Å; D170-R251 PolarHBondContact OD2-NE 2.95Å; D170-R251 IonicContact OD2-NH2 2.88Å; D170-R251 PolarHBondContact OD2-NH2 3.48Å; D170-Y255 HydrophobicContact CB-CE2 4.36Å; D170-Y255 VanDerWaalsContact OD1-CE2 3.27Å; D170-Y255 WeakPolarHBondContact OD1-CE2 3.11Å; D170-Y255 PolarHBondContact OD1-OH 2.9Å |
| 171 | R | 94.1 | Very high | 94 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -33.7 | 173.6 | -74.1 | 178.1 | 172.7 | 150.2 | 7.3 | 113.1 | V167 L168 N169 G173 T217 E248 | V167-R171 PolarHBondContact O-N 3.12Å; V167-R171 VanDerWaalsContact O-N 3.12Å; L168-R171 WeakPolarHBondContact O-CB 3.42Å; L168-R171 PolarHBondContact O-N 2.89Å; L168-R171 VanDerWaalsContact O-N 3.14Å; N169-R171 PolarHBondContact O-N 2.9Å; R171-G173 VanDerWaalsContact C-N 3.33Å; R171-T217 PolarHBondContact NH1-OG1 2.85Å; R171-T217 PolarHBondContact NH2-OG1 3.2Å; R171-E248 IonicContact CZ-OE1 3.79Å; R171-E248 IonicContact CZ-OE2 2.64Å; R171-E248 IonicContact NE-OE1 3.38Å; R171-E248 PolarHBondContact NE-OE1 2.96Å; R171-E248 IonicContact NE-OE2 3.99Å; R171-E248 IonicContact NH2-OE1 2.6Å; R171-E248 PolarHBondContact NH2-OE1 3.3Å; R171-E248 IonicContact NH2-OE2 3.71Å; R171-E248 PolarHBondContact NH2-OE2 3.13Å |
| 172 | L | 93.3 | Very high | 94 | Very high | 111 Ų | 111 | 49.8 Ų | 49.8 | 58% | 0.581 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1.1 | 178.6 | -62.9 | 175.2 | 0 | 0 | 0 | 113.1 | L168 N169 D170 I174 | L168-L172 HydrophobicContact CD1-CD1 4.38Å; L168-L172 HydrophobicContact CD1-CG 4.45Å; L168-L172 HydrophobicContact CG-CD1 4.1Å; L168-L172 WeakPolarHBondContact O-CG 3.32Å; L168-L172 PolarHBondContact O-N 3.26Å; N169-L172 CarbonylContact O-C 3.39Å; N169-L172 PolarHBondContact O-N 2.72Å; D170-L172 VanDerWaalsContact C-N 3.26Å; D170-L172 PolarHBondContact O-N 3.31Å; L172-I174 HydrophobicContact CB-CD1 3.86Å; L172-I174 HydrophobicContact CB-CG1 3.95Å; L172-I174 HydrophobicContact CD1-CD1 4.05Å; L172-I174 PolarHBondContact O-N 2.95Å |
| 173 | G | 91.4 | Very high | 94 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 71% | 0.711 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 17.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | N169 D170 R171 | N169-G173 PolarHBondContact O-N 3.07Å; N169-G173 VanDerWaalsContact O-N 3.08Å; D170-G173 PolarHBondContact O-N 2.83Å; D170-G173 VanDerWaalsContact O-N 3.13Å; R171-G173 VanDerWaalsContact C-N 3.33Å |
| 174 | I | 93.4 | Very high | 94 | Very high | 85 Ų | 85 | 51.2 Ų | 51.2 | 44% | 0.436 | 29% | 0.291 | S | S | . | . | trans | -84.8 | 119.6 | 179.6 | -59.4 | 172 | 0 | 0 | 0 | 108.7 | N169 L172 G176 Q178 | N169-I174 HydrophobicContact CB-CB 4.1Å; N169-I174 HydrophobicContact CB-CG2 4.45Å; N169-I174 PolarHBondContact O-N 3.29Å; L172-I174 HydrophobicContact CB-CD1 3.86Å; L172-I174 HydrophobicContact CB-CG1 3.95Å; L172-I174 HydrophobicContact CD1-CD1 4.05Å; L172-I174 PolarHBondContact O-N 2.95Å; I174-G176 PolarHBondContact O-N 3.23Å; I174-Q178 PolarHBondContact O-NE2 3.4Å | ||
| 175 | C | 88.8 | Confident | 93.9 | Very high | 127 Ų | 127 | 50 Ų | 50 | 86% | 0.858 | 29% | 0.285 | S | S | * | . | trans | -67.8 | 116.4 | 172 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 176 | G | 88.6 | Confident | 93.8 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | trans | -130.6 | -132.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | I174 Q178 | I174-G176 PolarHBondContact O-N 3.23Å; G176-Q178 VanDerWaalsContact CA-OE1 3.26Å; G176-Q178 PolarHBondContact O-OE1 3.33Å | ||
| 177 | Q | 92.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 48 Ų | 48 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -111.3 | 32.7 | -176.8 | -61.2 | 170.3 | -8.7 | 0 | 0 | 111.4 | S81 P85 E166 N179 C180 | S81-Q177 PolarHBondContact O-NE2 3.07Å; S81-Q177 PolarHBondContact O-OE1 2.74Å; P85-Q177 HydrophobicContact CG-CB 4.3Å; P85-Q177 HydrophobicContact CG-CG 3.88Å; E166-Q177 HydrophobicContact CG-CB 4.22Å; E166-Q177 PolarHBondContact OE2-N 2.75Å; Q177-N179 PolarHBondContact O-N 3.47Å; Q177-N179 PolarHBondContact O-OD1 2.83Å; Q177-C180 WeakPolarHBondContact O-CB 3.48Å; Q177-C180 PolarHBondContact O-N 3.37Å |
| 178 | Q | 93.8 | Very high | 93.6 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -61.4 | -27.7 | -175 | -64 | 85.5 | -6.5 | 0 | 0 | 113.3 | E166 D170 I174 G176 C180 I181 Y255 | E166-Q178 HydrophobicContact CB-CG 4.47Å; D170-Q178 HydrophobicContact CB-CG 4.03Å; I174-Q178 PolarHBondContact O-NE2 3.4Å; G176-Q178 VanDerWaalsContact CA-OE1 3.26Å; G176-Q178 PolarHBondContact O-OE1 3.33Å; Q178-C180 PolarHBondContact O-N 2.82Å; Q178-I181 HydrophobicContact CB-CD1 4.17Å; Q178-I181 HydrophobicContact CG-CD1 4.41Å; Q178-I181 WeakPolarHBondContact O-CB 3.31Å; Q178-I181 WeakPolarHBondContact O-CG1 3.41Å; Q178-I181 PolarHBondContact O-N 3.08Å; Q178-I181 VanDerWaalsContact O-N 3.07Å; Q178-Y255 HydrophobicContact CB-CD1 4.42Å; Q178-Y255 HydrophobicContact CB-CE1 3.58Å; Q178-Y255 HydrophobicContact CB-CE2 4.45Å; Q178-Y255 WeakPolarHBondContact CB-OH 3.4Å |
| 179 | N | 93.5 | Very high | 93.3 | Very high | 124 Ų | 124 | 46.3 Ų | 46.3 | 66% | 0.663 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -60.2 | -22.3 | 173.6 | 64.4 | -37.9 | 0 | 0 | 0 | 113.1 | Q177 P183 | Q177-N179 PolarHBondContact O-N 3.47Å; Q177-N179 PolarHBondContact O-OD1 2.83Å; N179-P183 WeakPolarHBondContact O-CD 3.4Å |
| 180 | C | 95.7 | Very high | 93 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -83.5 | -13.1 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | L84 V88 Q177 Q178 C184 | L84-C180 HydrophobicContact CD1-CB 4.42Å; L84-C180 HydrophobicContact CD2-CB 3.85Å; L84-C180 HydrophobicContact CG-CB 3.65Å; V88-C180 HydrophobicContact CG2-CB 3.87Å; V88-C180 WeakPolarHBondContact CG2-O 3.27Å; Q177-C180 WeakPolarHBondContact O-CB 3.48Å; Q177-C180 PolarHBondContact O-N 3.37Å; Q178-C180 PolarHBondContact O-N 2.82Å; C180-C184 WeakPolarHBondContact O-CB 3.49Å; C180-C184 PolarHBondContact O-N 3.42Å; C180-C184 VanDerWaalsContact O-N 3.14Å |
| 181 | I | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -55.4 | -179.7 | -61.8 | 169.9 | 0 | 0 | 0 | 110 | L163 E166 V167 Q178 C184 L185 Y255 | L163-I181 HydrophobicContact CD2-CB 4.42Å; L163-I181 HydrophobicContact CD2-CG1 4.25Å; L163-I181 HydrophobicContact CD2-CG2 4.24Å; E166-I181 HydrophobicContact CB-CD1 3.89Å; E166-I181 HydrophobicContact CB-CG1 4.15Å; V167-I181 HydrophobicContact CG2-CD1 4.26Å; Q178-I181 HydrophobicContact CB-CD1 4.17Å; Q178-I181 HydrophobicContact CG-CD1 4.41Å; Q178-I181 WeakPolarHBondContact O-CB 3.31Å; Q178-I181 WeakPolarHBondContact O-CG1 3.41Å; Q178-I181 PolarHBondContact O-N 3.08Å; Q178-I181 VanDerWaalsContact O-N 3.07Å; I181-C184 WeakPolarHBondContact O-CB 3.38Å; I181-C184 PolarHBondContact O-N 3Å; I181-L185 HydrophobicContact CG2-CD1 3.63Å; I181-L185 HydrophobicContact CG2-CG 4.1Å; I181-L185 VanDerWaalsContact O-CG 3.31Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 3.44Å; I181-Y255 HydrophobicContact CB-CD1 4.47Å; I181-Y255 HydrophobicContact CD1-CD1 4.25Å; I181-Y255 HydrophobicContact CD1-CD2 4.48Å; I181-Y255 HydrophobicContact CD1-CG 4.1Å |
| 182 | Q | 95.5 | Very high | 91.7 | Very high | 122 Ų | 122 | 47 Ų | 47 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61 | -48.1 | -174.4 | 179.6 | -171.1 | -4.1 | 0 | 0 | 113 | C184 L185 A186 | Q182-C184 VanDerWaalsContact C-N 3.33Å; Q182-C184 PolarHBondContact O-N 3.18Å; Q182-L185 PolarHBondContact O-N 3.5Å; Q182-A186 WeakPolarHBondContact O-CB 3.27Å; Q182-A186 PolarHBondContact O-N 3.5Å |
| 183 | P | 95.2 | Very high | 90.8 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 20% | 0.201 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 175.9 | -23.5 | 34.6 | 0 | 0 | 0 | 113.3 | V88 N179 A186 S187 | V88-P183 HydrophobicContact CB-CB 4.45Å; V88-P183 HydrophobicContact CG1-CB 3.57Å; V88-P183 HydrophobicContact CG1-CG 4.06Å; V88-P183 HydrophobicContact CG2-CB 4.04Å; N179-P183 WeakPolarHBondContact O-CD 3.4Å; P183-A186 PolarHBondContact O-N 3.2Å; P183-S187 PolarHBondContact O-N 2.77Å |
| 184 | C | 96 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -48.2 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 111 | L84 Y87 V88 L163 C180 I181 Q182 A186 S187 F188 | L84-C184 HydrophobicContact CD1-CB 3.83Å; Y87-C184 HydrophobicContact CD1-CB 4.33Å; Y87-C184 HydrophobicContact CE1-CB 4.27Å; Y87-C184 VanDerWaalsContact CE1-SG 3.58Å; V88-C184 HydrophobicContact CG2-CB 4.08Å; L163-C184 HydrophobicContact CD2-CB 4.3Å; C180-C184 WeakPolarHBondContact O-CB 3.49Å; C180-C184 PolarHBondContact O-N 3.42Å; C180-C184 VanDerWaalsContact O-N 3.14Å; I181-C184 WeakPolarHBondContact O-CB 3.38Å; I181-C184 PolarHBondContact O-N 3Å; Q182-C184 VanDerWaalsContact C-N 3.33Å; Q182-C184 PolarHBondContact O-N 3.18Å; C184-A186 VanDerWaalsContact C-N 3.34Å; C184-A186 PolarHBondContact O-N 2.69Å; C184-S187 WeakPolarHBondContact O-CB 3.42Å; C184-S187 PolarHBondContact O-N 3.03Å; C184-S187 VanDerWaalsContact O-N 3.08Å; C184-S187 PolarHBondContact O-OG 3.38Å; C184-F188 PolarHBondContact O-N 3.42Å |
| 185 | L | 95.2 | Very high | 87.9 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 177 | -64.2 | -179 | 0 | 0 | 0 | 112.6 | L163 I181 Q182 S187 F188 L189 Y205 F209 | L163-L185 HydrophobicContact CD1-CD2 4.17Å; I181-L185 HydrophobicContact CG2-CD1 3.63Å; I181-L185 HydrophobicContact CG2-CG 4.1Å; I181-L185 VanDerWaalsContact O-CG 3.31Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 3.44Å; Q182-L185 PolarHBondContact O-N 3.5Å; L185-S187 PolarHBondContact O-N 3.22Å; L185-F188 HydrophobicContact CD2-CD2 3.9Å; L185-F188 HydrophobicContact CD2-CE2 3.89Å; L185-F188 PolarHBondContact O-N 3.47Å; L185-F188 VanDerWaalsContact O-N 3.15Å; L185-L189 PolarHBondContact O-N 3.31Å; L185-Y205 HydrophobicContact CB-CD2 4.34Å; L185-Y205 HydrophobicContact CB-CE2 3.99Å; L185-Y205 HydrophobicContact CD1-CE2 3.97Å; L185-Y205 HydrophobicContact CD2-CD2 4.14Å; L185-Y205 HydrophobicContact CD2-CE2 3.88Å; L185-Y205 HydrophobicContact CG-CE2 4.14Å; L185-F209 HydrophobicContact CD1-CD1 3.9Å; L185-F209 HydrophobicContact CD1-CE1 3.66Å; L185-F209 HydrophobicContact CD1-CE2 4.29Å; L185-F209 HydrophobicContact CD1-CG 4.32Å; L185-F209 HydrophobicContact CD1-CZ 3.86Å; L185-F209 HydrophobicContact CD2-CB 3.61Å; L185-F209 HydrophobicContact CD2-CD1 3.64Å; L185-F209 HydrophobicContact CD2-CD2 3.72Å; L185-F209 HydrophobicContact CD2-CE1 4.21Å; L185-F209 HydrophobicContact CD2-CE2 4.28Å; L185-F209 HydrophobicContact CD2-CG 3.35Å; L185-F209 HydrophobicContact CD2-CZ 4.5Å; L185-F209 HydrophobicContact CG-CD1 4.44Å; L185-F209 HydrophobicContact CG-CG 4.47Å |
| 186 | A | 92.8 | Very high | 86.3 | Confident | 43 Ų | 43 | 47 Ų | 47 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.4 | -36.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q182 P183 C184 F188 L189 R190 | Q182-A186 WeakPolarHBondContact O-CB 3.27Å; Q182-A186 PolarHBondContact O-N 3.5Å; P183-A186 PolarHBondContact O-N 3.2Å; C184-A186 VanDerWaalsContact C-N 3.34Å; C184-A186 PolarHBondContact O-N 2.69Å; A186-F188 PolarHBondContact O-N 2.95Å; A186-L189 PolarHBondContact O-N 3.06Å; A186-R190 WeakPolarHBondContact O-CB 3.27Å; A186-R190 VanDerWaalsContact O-CG 3.23Å; A186-R190 WeakPolarHBondContact O-CG 3.45Å; A186-R190 PolarHBondContact O-N 2.81Å |
| 187 | S | 93.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.5 | 80.8 | 0 | 0 | 0 | 0 | 112.8 | Y87 W91 P183 C184 L185 L189 R190 V191 | Y87-S187 WeakPolarHBondContact CE1-OG 3.45Å; Y87-S187 PolarHBondContact OH-OG 3.17Å; W91-S187 VanDerWaalsContact CD2-CB 3.46Å; P183-S187 PolarHBondContact O-N 2.77Å; C184-S187 WeakPolarHBondContact O-CB 3.42Å; C184-S187 PolarHBondContact O-N 3.03Å; C184-S187 VanDerWaalsContact O-N 3.08Å; C184-S187 PolarHBondContact O-OG 3.38Å; L185-S187 PolarHBondContact O-N 3.22Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-L189 PolarHBondContact O-N 3.49Å; S187-R190 PolarHBondContact O-N 3.29Å; S187-V191 WeakPolarHBondContact O-CB 3.47Å; S187-V191 WeakPolarHBondContact O-CG2 3.33Å; S187-V191 PolarHBondContact O-N 2.99Å |
| 188 | F | 92.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 179.2 | -59 | -19.7 | 0 | 0 | 0 | 111.8 | I152 L159 L163 C184 L185 A186 I204 I208 | I152-F188 HydrophobicContact CD1-CD1 3.99Å; I152-F188 HydrophobicContact CD1-CE1 4.38Å; L159-F188 HydrophobicContact CD1-CE1 4.14Å; L159-F188 HydrophobicContact CD1-CZ 4.21Å; L163-F188 HydrophobicContact CD1-CE2 3.85Å; L163-F188 HydrophobicContact CD1-CZ 4.13Å; C184-F188 PolarHBondContact O-N 3.42Å; L185-F188 HydrophobicContact CD2-CD2 3.9Å; L185-F188 HydrophobicContact CD2-CE2 3.89Å; L185-F188 PolarHBondContact O-N 3.47Å; L185-F188 VanDerWaalsContact O-N 3.15Å; A186-F188 PolarHBondContact O-N 2.95Å; F188-I204 HydrophobicContact CB-CG2 3.99Å; F188-I204 HydrophobicContact CD1-CG2 4.36Å; F188-I204 HydrophobicContact CG-CG2 4.19Å; F188-I208 HydrophobicContact CE1-CD1 4.36Å; F188-I208 HydrophobicContact CE2-CB 4.06Å; F188-I208 HydrophobicContact CE2-CG2 3.7Å; F188-I208 HydrophobicContact CZ-CB 4.4Å; F188-I208 HydrophobicContact CZ-CD1 4.38Å; F188-I208 HydrophobicContact CZ-CG2 3.72Å |
| 189 | L | 90 | Very high | 81.5 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.6 | -46.5 | 177.2 | -61.5 | 175.7 | 0 | 0 | 0 | 111.3 | L185 A186 S187 V191 G192 M202 Y205 | L185-L189 PolarHBondContact O-N 3.31Å; A186-L189 PolarHBondContact O-N 3.06Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-L189 PolarHBondContact O-N 3.49Å; L189-V191 PolarHBondContact O-N 3.42Å; L189-G192 WeakPolarHBondContact O-CA 3.25Å; L189-G192 PolarHBondContact O-N 3.27Å; L189-G192 VanDerWaalsContact O-N 3.08Å; L189-M202 HydrophobicContact CD2-CG 4.43Å; L189-M202 HydrophobicContact CD2-SD 3.51Å; L189-M202 VanDerWaalsContact CD2-SD 3.51Å; L189-Y205 HydrophobicContact CD2-CD2 4.19Å; L189-Y205 HydrophobicContact CD2-CG 4.16Å; L189-Y205 HydrophobicContact CG-CD2 4.36Å |
| 190 | R | 88.2 | Confident | 80.7 | Confident | 113 Ų | 113 | 62.6 Ų | 62.6 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | -179.6 | -73 | -62.4 | -172.1 | 169.3 | -0.7 | 113.3 | W91 A186 S187 G192 E193 | W91-R190 HydrophobicContact CH2-CB 3.91Å; W91-R190 HydrophobicContact CZ2-CB 3.69Å; W91-R190 HydrophobicContact CZ2-CG 4.12Å; A186-R190 WeakPolarHBondContact O-CB 3.27Å; A186-R190 VanDerWaalsContact O-CG 3.23Å; A186-R190 WeakPolarHBondContact O-CG 3.45Å; A186-R190 PolarHBondContact O-N 2.81Å; S187-R190 PolarHBondContact O-N 3.29Å; R190-G192 PolarHBondContact O-N 3.49Å; R190-G192 VanDerWaalsContact O-N 3.17Å; R190-E193 VanDerWaalsContact CD-CD 3.5Å; R190-E193 VanDerWaalsContact CD-OE1 3.31Å; R190-E193 WeakPolarHBondContact CD-OE1 3.35Å; R190-E193 VanDerWaalsContact CD-OE2 3.26Å; R190-E193 WeakPolarHBondContact CD-OE2 3.38Å; R190-E193 IonicContact CZ-OE1 3.82Å; R190-E193 IonicContact CZ-OE2 2.82Å; R190-E193 IonicContact NE-OE1 3.44Å; R190-E193 IonicContact NE-OE2 3.92Å; R190-E193 IonicContact NH1-OE1 3.43Å; R190-E193 PolarHBondContact NH1-OE1 3.29Å; R190-E193 VanDerWaalsContact NH1-OE1 3.07Å; R190-E193 IonicContact NH1-OE2 3.5Å; R190-E193 PolarHBondContact NH1-OE2 3.11Å; R190-E193 WeakPolarHBondContact O-CB 3.41Å; R190-E193 PolarHBondContact O-N 2.89Å |
| 191 | V | 85.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -21.1 | 177.6 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | W91 L144 W147 R148 I152 S187 L189 V194 I204 | W91-V191 HydrophobicContact CH2-CG2 3.95Å; W91-V191 HydrophobicContact CZ3-CG2 3.9Å; L144-V191 HydrophobicContact CD2-CG2 4.27Å; W147-V191 HydrophobicContact CB-CG2 4.41Å; W147-V191 HydrophobicContact CG-CG2 4.28Å; R148-V191 HydrophobicContact CB-CG1 3.37Å; R148-V191 HydrophobicContact CG-CG1 3.86Å; I152-V191 HydrophobicContact CD1-CB 4.25Å; I152-V191 HydrophobicContact CD1-CG1 4.16Å; I152-V191 HydrophobicContact CD1-CG2 3.91Å; S187-V191 WeakPolarHBondContact O-CB 3.47Å; S187-V191 WeakPolarHBondContact O-CG2 3.33Å; S187-V191 PolarHBondContact O-N 2.99Å; L189-V191 PolarHBondContact O-N 3.42Å; V191-V194 WeakPolarHBondContact O-CG2 3.35Å; V191-I204 HydrophobicContact CG1-CD1 4.23Å |
| 192 | G | 75.9 | Confident | 79.7 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | L189 R190 V194 G201 | L189-G192 WeakPolarHBondContact O-CA 3.25Å; L189-G192 PolarHBondContact O-N 3.27Å; L189-G192 VanDerWaalsContact O-N 3.08Å; R190-G192 PolarHBondContact O-N 3.49Å; R190-G192 VanDerWaalsContact O-N 3.17Å; G192-V194 PolarHBondContact O-N 3.5Å; G192-V194 VanDerWaalsContact O-N 3.1Å; G192-G201 VanDerWaalsContact CA-CA 3.46Å |
| 193 | E | 73.8 | Confident | 79.4 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 5 | 177.9 | -63.1 | 177.5 | 170.2 | 0 | 0 | 112.5 | R190 R195 | R190-E193 VanDerWaalsContact CD-CD 3.5Å; R190-E193 VanDerWaalsContact CD-OE1 3.31Å; R190-E193 WeakPolarHBondContact CD-OE1 3.35Å; R190-E193 VanDerWaalsContact CD-OE2 3.26Å; R190-E193 WeakPolarHBondContact CD-OE2 3.38Å; R190-E193 IonicContact CZ-OE1 3.82Å; R190-E193 IonicContact CZ-OE2 2.82Å; R190-E193 IonicContact NE-OE1 3.44Å; R190-E193 IonicContact NE-OE2 3.92Å; R190-E193 IonicContact NH1-OE1 3.43Å; R190-E193 PolarHBondContact NH1-OE1 3.29Å; R190-E193 VanDerWaalsContact NH1-OE1 3.07Å; R190-E193 IonicContact NH1-OE2 3.5Å; R190-E193 PolarHBondContact NH1-OE2 3.11Å; R190-E193 WeakPolarHBondContact O-CB 3.41Å; R190-E193 PolarHBondContact O-N 2.89Å; E193-R195 PolarHBondContact O-N 3.43Å |
| 194 | V | 64.5 | Low | 79.1 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -71.8 | 97.3 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | M137 E141 L144 A145 V191 G192 | M137-V194 HydrophobicContact SD-CG1 3.61Å; E141-V194 HydrophobicContact CB-CG1 4.28Å; E141-V194 WeakPolarHBondContact O-CG2 3.35Å; L144-V194 HydrophobicContact CB-CG2 3.55Å; L144-V194 HydrophobicContact CD1-CG2 4.45Å; A145-V194 HydrophobicContact CB-CG1 4.27Å; A145-V194 HydrophobicContact CB-CG2 4.39Å; V191-V194 WeakPolarHBondContact O-CG2 3.35Å; G192-V194 PolarHBondContact O-N 3.5Å; G192-V194 VanDerWaalsContact O-N 3.1Å |
| 195 | R | 61.1 | Low | 79 | Confident | 104 Ų | 104 | 64.8 Ų | 64.8 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 82.2 | 164.3 | -175.7 | -52.1 | -178.9 | 178.2 | -162.8 | 3.3 | 116 | E193 F197 | E193-R195 PolarHBondContact O-N 3.43Å; R195-F197 HydrophobicContact CB-CD2 4.19Å; R195-F197 PolarHBondContact O-N 2.95Å |
| 196 | D | 53.2 | Low | 78.9 | Confident | 168 Ų | 168 | 66.7 Ų | 66.7 | 90% | 0.898 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -57.9 | 10.5 | 176.4 | -59.5 | -51.9 | 0 | 0 | 0 | 115.6 | E198 | D196-E198 PolarHBondContact O-N 3.24Š|
| 197 | F | 52.3 | Low | 79 | Confident | 129 Ų | 129 | 69.9 Ų | 69.9 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | trans | -97.4 | 74.2 | 171.8 | -63.7 | -80.8 | 0 | 0 | 0 | 109.8 | R195 R199 A200 | R195-F197 HydrophobicContact CB-CD2 4.19Å; R195-F197 PolarHBondContact O-N 2.95Å; F197-R199 PolarHBondContact O-N 3.4Å; F197-A200 PolarHBondContact O-N 3.23Å | ||
| 198 | E | 56.6 | Low | 79 | Confident | 179 Ų | 179 | 70.2 Ų | 70.2 | 84% | 0.836 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -17 | 174.3 | -64.8 | -178.2 | 155.7 | 0 | 0 | 114.1 | D196 | D196-E198 PolarHBondContact O-N 3.24Š|
| 199 | R | 66 | Low | 79.2 | Confident | 216 Ų | 216 | 70.2 Ų | 70.2 | 82% | 0.815 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -72.4 | -26.9 | 180 | -64 | -176.2 | -178.8 | 179.5 | 1 | 114.9 | F197 G201 M202 E203 | F197-R199 PolarHBondContact O-N 3.4Å; R199-G201 VanDerWaalsContact C-N 3.34Å; R199-G201 PolarHBondContact O-N 3.45Å; R199-M202 PolarHBondContact O-N 2.95Å; R199-E203 PolarHBondContact O-N 3.26Å |
| 200 | A | 76.1 | Confident | 79.5 | Confident | 19 Ų | 19 | 69 Ų | 69 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -37.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F197 E203 I204 | F197-A200 PolarHBondContact O-N 3.23Å; A200-E203 PolarHBondContact O-N 3.06Å; A200-I204 WeakPolarHBondContact O-CG1 2.89Å; A200-I204 PolarHBondContact O-N 3.36Å |
| 201 | G | 83.7 | Confident | 80 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G192 R199 E203 I204 Y205 | G192-G201 VanDerWaalsContact CA-CA 3.46Å; R199-G201 VanDerWaalsContact C-N 3.34Å; R199-G201 PolarHBondContact O-N 3.45Å; G201-E203 VanDerWaalsContact C-N 3.33Å; G201-I204 PolarHBondContact O-N 2.89Å; G201-Y205 WeakPolarHBondContact O-CB 3.41Å; G201-Y205 PolarHBondContact O-N 3.11Å |
| 202 | M | 87.8 | Confident | 80.5 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 36% | 0.36 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.9 | -33.8 | 174.7 | -71.6 | -60.4 | -68.1 | 0 | 0 | 112.1 | L189 R199 Y205 N206 | L189-M202 HydrophobicContact CD2-CG 4.43Å; L189-M202 HydrophobicContact CD2-SD 3.51Å; L189-M202 VanDerWaalsContact CD2-SD 3.51Å; R199-M202 PolarHBondContact O-N 2.95Å; M202-Y205 PolarHBondContact O-N 2.71Å; M202-N206 WeakPolarHBondContact O-CB 3.31Å; M202-N206 PolarHBondContact O-N 2.92Å; M202-N206 PolarHBondContact O-ND2 3.21Å; M202-N206 VanDerWaalsContact O-ND2 3.13Å |
| 203 | E | 88.6 | Confident | 81.6 | Confident | 122 Ų | 122 | 69.1 Ų | 69.1 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63 | -46 | 174.6 | -172.8 | 177.2 | -170.4 | 0 | 0 | 111.8 | R199 A200 G201 N206 Q207 | R199-E203 PolarHBondContact O-N 3.26Å; A200-E203 PolarHBondContact O-N 3.06Å; G201-E203 VanDerWaalsContact C-N 3.33Å; E203-N206 PolarHBondContact O-N 2.98Å; E203-Q207 WeakPolarHBondContact O-CB 3.18Å; E203-Q207 PolarHBondContact O-N 2.94Å |
| 204 | I | 89.6 | Confident | 82.7 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 176.2 | -60.9 | 166 | 0 | 0 | 0 | 110.2 | R148 I152 F188 V191 A200 G201 N206 Q207 I208 | R148-I204 HydrophobicContact CG-CD1 4.05Å; I152-I204 HydrophobicContact CG2-CG2 4.24Å; F188-I204 HydrophobicContact CB-CG2 3.99Å; F188-I204 HydrophobicContact CD1-CG2 4.36Å; F188-I204 HydrophobicContact CG-CG2 4.19Å; V191-I204 HydrophobicContact CG1-CD1 4.23Å; A200-I204 WeakPolarHBondContact O-CG1 2.89Å; A200-I204 PolarHBondContact O-N 3.36Å; G201-I204 PolarHBondContact O-N 2.89Å; I204-N206 VanDerWaalsContact C-N 3.26Å; I204-N206 PolarHBondContact O-N 2.98Å; I204-Q207 PolarHBondContact O-N 3.29Å; I204-I208 HydrophobicContact CG2-CD1 3.59Å; I204-I208 HydrophobicContact CG2-CG1 4.26Å; I204-I208 WeakPolarHBondContact O-CB 3.37Å; I204-I208 WeakPolarHBondContact O-CG1 3.32Å; I204-I208 PolarHBondContact O-N 2.9Å |
| 205 | Y | 93.3 | Very high | 84.3 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.5 | -43.4 | 176.1 | 177.6 | -86 | 0 | 0 | 0 | 111.4 | L185 L189 G201 M202 F209 Q210 C258 S259 | L185-Y205 HydrophobicContact CB-CD2 4.34Å; L185-Y205 HydrophobicContact CB-CE2 3.99Å; L185-Y205 HydrophobicContact CD1-CE2 3.97Å; L185-Y205 HydrophobicContact CD2-CD2 4.14Å; L185-Y205 HydrophobicContact CD2-CE2 3.88Å; L185-Y205 HydrophobicContact CG-CE2 4.14Å; L189-Y205 HydrophobicContact CD2-CD2 4.19Å; L189-Y205 HydrophobicContact CD2-CG 4.16Å; L189-Y205 HydrophobicContact CG-CD2 4.36Å; G201-Y205 WeakPolarHBondContact O-CB 3.41Å; G201-Y205 PolarHBondContact O-N 3.11Å; M202-Y205 PolarHBondContact O-N 2.71Å; Y205-F209 HydrophobicContact CE1-CD1 4.24Å; Y205-F209 AromaticContact CE2-CD1 3.93Å; Y205-F209 HydrophobicContact CE2-CD1 3.93Å; Y205-F209 AromaticContact CZ-CD1 3.66Å; Y205-F209 WeakPolarHBondContact O-CA 3.24Å; Y205-F209 WeakPolarHBondContact O-CB 3.35Å; Y205-F209 PolarHBondContact O-N 3.1Å; Y205-Q210 HydrophobicContact CD1-CB 4.18Å; Y205-Q210 HydrophobicContact CE1-CB 3.91Å; Y205-Q210 PolarHBondContact O-N 2.73Å; Y205-C258 HydrophobicContact CE1-CB 4.05Å; Y205-C258 HydrophobicContact CE2-CB 4.46Å; Y205-S259 VanDerWaalsContact CE1-OG 3.24Å; Y205-S259 WeakPolarHBondContact CE1-OG 3.46Å; Y205-S259 PolarHBondContact OH-OG 3.01Å |
| 206 | N | 93.5 | Very high | 86 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | I | π-helix | trans | -67.1 | -45.2 | -180 | -73.2 | -22.6 | 0 | 0 | 0 | 112.3 | M202 E203 I204 Q210 N211 | M202-N206 WeakPolarHBondContact O-CB 3.31Å; M202-N206 PolarHBondContact O-N 2.92Å; M202-N206 PolarHBondContact O-ND2 3.21Å; M202-N206 VanDerWaalsContact O-ND2 3.13Å; E203-N206 PolarHBondContact O-N 2.98Å; I204-N206 VanDerWaalsContact C-N 3.26Å; I204-N206 PolarHBondContact O-N 2.98Å; N206-Q210 PolarHBondContact O-N 2.82Å; N206-Q210 PolarHBondContact OD1-OE1 3.5Å; N206-N211 WeakPolarHBondContact O-CB 3.21Å; N206-N211 VanDerWaalsContact O-CG 3.3Å; N206-N211 PolarHBondContact O-N 3.27Å; N206-N211 PolarHBondContact O-ND2 3.03Å |
| 207 | Q | 93.4 | Very high | 88.1 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -67.5 | -45.3 | -177.9 | -174.3 | 179.4 | 20 | 0 | 0 | 112.4 | E203 I204 | E203-Q207 WeakPolarHBondContact O-CB 3.18Å; E203-Q207 PolarHBondContact O-N 2.94Å; I204-Q207 PolarHBondContact O-N 3.29Å |
| 208 | I | 94.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -84.9 | -34.9 | -172.5 | -57.4 | -176.9 | 0 | 0 | 0 | 111.5 | I152 K156 L159 S160 F188 I204 | I152-I208 HydrophobicContact CG2-CD1 3.42Å; I152-I208 VanDerWaalsContact CG2-CD1 3.42Å; K156-I208 HydrophobicContact CB-CD1 3.62Å; K156-I208 HydrophobicContact CB-CG1 3.91Å; L159-I208 HydrophobicContact CB-CG2 4.49Å; S160-I208 WeakPolarHBondContact CB-O 3.34Å; S160-I208 PolarHBondContact OG-O 3.33Å; F188-I208 HydrophobicContact CE1-CD1 4.36Å; F188-I208 HydrophobicContact CE2-CB 4.06Å; F188-I208 HydrophobicContact CE2-CG2 3.7Å; F188-I208 HydrophobicContact CZ-CB 4.4Å; F188-I208 HydrophobicContact CZ-CD1 4.38Å; F188-I208 HydrophobicContact CZ-CG2 3.72Å; I204-I208 HydrophobicContact CG2-CD1 3.59Å; I204-I208 HydrophobicContact CG2-CG1 4.26Å; I204-I208 WeakPolarHBondContact O-CB 3.37Å; I204-I208 WeakPolarHBondContact O-CG1 3.32Å; I204-I208 PolarHBondContact O-N 2.9Å |
| 209 | F | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -121 | -59.8 | -171.2 | -178 | -104.9 | 0 | 0 | 0 | 113.9 | L163 M164 V167 L185 Y205 N211 P212 L213 Y256 | L163-F209 HydrophobicContact CB-CD2 3.89Å; L163-F209 HydrophobicContact CB-CE2 4.11Å; L163-F209 HydrophobicContact CD1-CB 4.48Å; L163-F209 HydrophobicContact CD1-CD2 3.87Å; L163-F209 HydrophobicContact CG-CD2 4.36Å; M164-F209 HydrophobicContact CE-CD2 3.43Å; M164-F209 VanDerWaalsContact CE-CD2 3.43Å; M164-F209 HydrophobicContact CE-CE2 3.6Å; M164-F209 HydrophobicContact CE-CG 4.38Å; V167-F209 HydrophobicContact CG2-CE2 4.36Å; L185-F209 HydrophobicContact CD1-CD1 3.9Å; L185-F209 HydrophobicContact CD1-CE1 3.66Å; L185-F209 HydrophobicContact CD1-CE2 4.29Å; L185-F209 HydrophobicContact CD1-CG 4.32Å; L185-F209 HydrophobicContact CD1-CZ 3.86Å; L185-F209 HydrophobicContact CD2-CB 3.61Å; L185-F209 HydrophobicContact CD2-CD1 3.64Å; L185-F209 HydrophobicContact CD2-CD2 3.72Å; L185-F209 HydrophobicContact CD2-CE1 4.21Å; L185-F209 HydrophobicContact CD2-CE2 4.28Å; L185-F209 HydrophobicContact CD2-CG 3.35Å; L185-F209 HydrophobicContact CD2-CZ 4.5Å; L185-F209 HydrophobicContact CG-CD1 4.44Å; L185-F209 HydrophobicContact CG-CG 4.47Å; Y205-F209 HydrophobicContact CE1-CD1 4.24Å; Y205-F209 AromaticContact CE2-CD1 3.93Å; Y205-F209 HydrophobicContact CE2-CD1 3.93Å; Y205-F209 AromaticContact CZ-CD1 3.66Å; Y205-F209 WeakPolarHBondContact O-CA 3.24Å; Y205-F209 WeakPolarHBondContact O-CB 3.35Å; Y205-F209 PolarHBondContact O-N 3.1Å; F209-N211 PolarHBondContact O-N 3.13Å; F209-P212 WeakPolarHBondContact O-CD 3.38Å; F209-L213 HydrophobicContact CD1-CD2 4.48Å; F209-L213 HydrophobicContact CE1-CD2 3.65Å; F209-L213 HydrophobicContact CZ-CD1 4.4Å; F209-L213 HydrophobicContact CZ-CD2 3.77Å; F209-L213 HydrophobicContact CZ-CG 4.45Å; F209-L213 WeakPolarHBondContact O-CB 3.38Å; F209-L213 PolarHBondContact O-N 3.01Å; F209-Y256 VanDerWaalsContact CE1-CB 3.47Å; F209-Y256 HydrophobicContact CE1-CD1 4.13Å; F209-Y256 HydrophobicContact CE1-CD2 4.48Å; F209-Y256 AromaticContact CE1-CG 3.81Å; F209-Y256 HydrophobicContact CE1-CG 3.81Å; F209-Y256 AromaticContact CZ-CD1 3.59Å; F209-Y256 HydrophobicContact CZ-CD1 3.59Å; F209-Y256 HydrophobicContact CZ-CE1 4.32Å; F209-Y256 AromaticContact CZ-CG 3.77Å; F209-Y256 HydrophobicContact CZ-CG 3.77Å |
| 210 | Q | 96.3 | Very high | 93.6 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -63.2 | -46.1 | -168.5 | -172.6 | 167.6 | -55.1 | 0 | 0 | 113.4 | Y205 N206 L213 I214 S259 S262 | Y205-Q210 HydrophobicContact CD1-CB 4.18Å; Y205-Q210 HydrophobicContact CE1-CB 3.91Å; Y205-Q210 PolarHBondContact O-N 2.73Å; N206-Q210 PolarHBondContact O-N 2.82Å; N206-Q210 PolarHBondContact OD1-OE1 3.5Å; Q210-L213 WeakPolarHBondContact O-CB 3.44Å; Q210-L213 PolarHBondContact O-N 3.14Å; Q210-I214 HydrophobicContact CG-CD1 3.8Å; Q210-I214 HydrophobicContact CG-CG1 4.38Å; Q210-I214 WeakPolarHBondContact O-CB 3.47Å; Q210-I214 VanDerWaalsContact O-CG1 3.26Å; Q210-I214 WeakPolarHBondContact O-CG1 3.39Å; Q210-I214 PolarHBondContact O-N 2.99Å; Q210-S259 WeakPolarHBondContact CG-OG 3.42Å; Q210-S259 PolarHBondContact OE1-OG 2.9Å; Q210-S262 PolarHBondContact NE2-OG 3.43Å |
| 211 | N | 97 | Very high | 94.7 | Very high | 84 Ų | 84 | 43 Ų | 43 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.8 | -50.4 | -178.6 | -67.1 | -17.3 | 0 | 0 | 0 | 111.2 | N206 F209 L213 I214 D215 | N206-N211 WeakPolarHBondContact O-CB 3.21Å; N206-N211 VanDerWaalsContact O-CG 3.3Å; N206-N211 PolarHBondContact O-N 3.27Å; N206-N211 PolarHBondContact O-ND2 3.03Å; F209-N211 PolarHBondContact O-N 3.13Å; N211-L213 VanDerWaalsContact C-N 3.28Å; N211-L213 PolarHBondContact O-N 3.12Å; N211-I214 PolarHBondContact O-N 3.24Å; N211-D215 PolarHBondContact O-N 3.3Å |
| 212 | P | 97.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.1 | -38.8 | 171.4 | -28.3 | 36.8 | 0 | 0 | 0 | 113.9 | S160 M164 F209 D215 A216 | S160-P212 WeakPolarHBondContact OG-CG 3.23Å; M164-P212 HydrophobicContact CE-CB 4.27Å; M164-P212 HydrophobicContact CG-CB 4.21Å; M164-P212 VanDerWaalsContact SD-C 3.58Å; M164-P212 HydrophobicContact SD-CB 4Å; F209-P212 WeakPolarHBondContact O-CD 3.38Å; P212-D215 PolarHBondContact O-N 3.13Å; P212-A216 WeakPolarHBondContact O-CB 3.46Å; P212-A216 PolarHBondContact O-N 3.35Å |
| 213 | L | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.7 | 177.2 | 69.1 | 0 | 0 | 0 | 111.4 | M164 V167 F209 Q210 N211 D215 T217 Y256 M263 | M164-L213 HydrophobicContact CE-CB 4.06Å; M164-L213 VanDerWaalsContact SD-CA 3.51Å; M164-L213 HydrophobicContact SD-CB 4.12Å; M164-L213 HydrophobicContact SD-CD1 4.45Å; M164-L213 PolarHBondContact SD-N 2.87Å; M164-L213 VanDerWaalsContact SD-N 3.45Å; V167-L213 HydrophobicContact CG1-CD1 3.89Å; V167-L213 HydrophobicContact CG2-CD1 4.25Å; F209-L213 HydrophobicContact CD1-CD2 4.48Å; F209-L213 HydrophobicContact CE1-CD2 3.65Å; F209-L213 HydrophobicContact CZ-CD1 4.4Å; F209-L213 HydrophobicContact CZ-CD2 3.77Å; F209-L213 HydrophobicContact CZ-CG 4.45Å; F209-L213 WeakPolarHBondContact O-CB 3.38Å; F209-L213 PolarHBondContact O-N 3.01Å; Q210-L213 WeakPolarHBondContact O-CB 3.44Å; Q210-L213 PolarHBondContact O-N 3.14Å; N211-L213 VanDerWaalsContact C-N 3.28Å; N211-L213 PolarHBondContact O-N 3.12Å; L213-D215 VanDerWaalsContact C-N 3.34Å; L213-T217 WeakPolarHBondContact O-CB 3.42Å; L213-T217 PolarHBondContact O-N 3.46Å; L213-T217 PolarHBondContact O-OG1 3.38Å; L213-Y256 HydrophobicContact CD2-CD2 3.84Å; L213-Y256 HydrophobicContact CD2-CE2 3.8Å; L213-Y256 HydrophobicContact CD2-CG 4.28Å; L213-M263 HydrophobicContact CD2-CE 3.98Å; L213-M263 HydrophobicContact CD2-CG 4.48Å; L213-M263 HydrophobicContact CD2-SD 3.91Å; L213-M263 HydrophobicContact CG-CE 4.06Å; L213-M263 HydrophobicContact CG-SD 3.98Å |
| 214 | I | 97.7 | Very high | 96.2 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 177.9 | -73.2 | 166.9 | 0 | 0 | 0 | 110 | Q210 N211 T217 R218 M263 L266 | Q210-I214 HydrophobicContact CG-CD1 3.8Å; Q210-I214 HydrophobicContact CG-CG1 4.38Å; Q210-I214 WeakPolarHBondContact O-CB 3.47Å; Q210-I214 VanDerWaalsContact O-CG1 3.26Å; Q210-I214 WeakPolarHBondContact O-CG1 3.39Å; Q210-I214 PolarHBondContact O-N 2.99Å; N211-I214 PolarHBondContact O-N 3.24Å; I214-T217 PolarHBondContact O-N 3.45Å; I214-R218 VanDerWaalsContact O-CB 3.26Å; I214-R218 WeakPolarHBondContact O-CB 3.49Å; I214-R218 PolarHBondContact O-N 2.98Å; I214-M263 HydrophobicContact CB-CE 4.4Å; I214-M263 HydrophobicContact CG1-CE 3.47Å; I214-M263 VanDerWaalsContact CG1-CE 3.47Å; I214-L266 HydrophobicContact CG2-CD2 4.25Å; I214-L266 WeakPolarHBondContact O-CD2 3.14Å |
| 215 | D | 97.3 | Very high | 96.5 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.7 | -47.3 | -179 | -69.1 | -27.4 | 0 | 0 | 0 | 112 | N211 P212 L213 T217 R218 S219 | N211-D215 PolarHBondContact O-N 3.3Å; P212-D215 PolarHBondContact O-N 3.13Å; L213-D215 VanDerWaalsContact C-N 3.34Å; D215-T217 VanDerWaalsContact C-N 3.31Å; D215-T217 PolarHBondContact O-N 3.46Å; D215-R218 PolarHBondContact O-N 3.41Å; D215-R218 IonicContact OD1-NH1 2.76Å; D215-R218 PolarHBondContact OD1-NH1 2.62Å; D215-R218 VanDerWaalsContact OD1-NH1 3.15Å; D215-S219 PolarHBondContact O-N 2.86Å; D215-S219 VanDerWaalsContact O-N 3.13Å; D215-S219 PolarHBondContact O-OG 3.33Å |
| 216 | A | 96.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | M164 P212 F220 | M164-A216 HydrophobicContact SD-CB 4.35Å; P212-A216 WeakPolarHBondContact O-CB 3.46Å; P212-A216 PolarHBondContact O-N 3.35Å; A216-F220 WeakPolarHBondContact O-CB 3.33Å; A216-F220 PolarHBondContact O-N 2.91Å |
| 217 | T | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.9 | -35 | 178.3 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | R171 L213 I214 D215 F220 Y221 M263 L266 | R171-T217 PolarHBondContact NH1-OG1 2.85Å; R171-T217 PolarHBondContact NH2-OG1 3.2Å; L213-T217 WeakPolarHBondContact O-CB 3.42Å; L213-T217 PolarHBondContact O-N 3.46Å; L213-T217 PolarHBondContact O-OG1 3.38Å; I214-T217 PolarHBondContact O-N 3.45Å; D215-T217 VanDerWaalsContact C-N 3.31Å; D215-T217 PolarHBondContact O-N 3.46Å; T217-F220 PolarHBondContact O-N 3.31Å; T217-Y221 HydrophobicContact CG2-CD1 4.14Å; T217-Y221 HydrophobicContact CG2-CD2 3.81Å; T217-Y221 HydrophobicContact CG2-CE1 3.79Å; T217-Y221 HydrophobicContact CG2-CE2 3.42Å; T217-Y221 VanDerWaalsContact CG2-CE2 3.42Å; T217-Y221 HydrophobicContact CG2-CG 4.14Å; T217-Y221 VanDerWaalsContact CG2-CZ 3.41Å; T217-Y221 WeakPolarHBondContact O-CB 3.29Å; T217-Y221 PolarHBondContact O-N 3.39Å; T217-M263 HydrophobicContact CG2-SD 4.01Å; T217-L266 HydrophobicContact CG2-CD2 3.8Å |
| 218 | R | 98 | Very high | 97 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.5 | 172.6 | 173.4 | -66 | 114 | -2.1 | 111.1 | I214 D215 S222 L266 I270 | I214-R218 VanDerWaalsContact O-CB 3.26Å; I214-R218 WeakPolarHBondContact O-CB 3.49Å; I214-R218 PolarHBondContact O-N 2.98Å; D215-R218 PolarHBondContact O-N 3.41Å; D215-R218 IonicContact OD1-NH1 2.76Å; D215-R218 PolarHBondContact OD1-NH1 2.62Å; D215-R218 VanDerWaalsContact OD1-NH1 3.15Å; R218-S222 VanDerWaalsContact O-CB 3.28Å; R218-S222 WeakPolarHBondContact O-CB 3.33Å; R218-S222 PolarHBondContact O-N 3.37Å; R218-S222 PolarHBondContact O-OG 2.92Å; R218-L266 HydrophobicContact CB-CD1 4.3Å; R218-L266 HydrophobicContact CB-CD2 4.34Å; R218-I270 HydrophobicContact CB-CD1 3.99Å; R218-I270 HydrophobicContact CG-CD1 3.7Å |
| 219 | S | 96.9 | Very high | 96.9 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 57% | 0.566 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.5 | -45.8 | 175.1 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | D215 S222 Q223 | D215-S219 PolarHBondContact O-N 2.86Å; D215-S219 VanDerWaalsContact O-N 3.13Å; D215-S219 PolarHBondContact O-OG 3.33Å; S219-S222 PolarHBondContact O-N 2.92Å; S219-Q223 WeakPolarHBondContact O-CB 3.41Å; S219-Q223 PolarHBondContact O-N 3.18Å |
| 220 | F | 96.9 | Very high | 96.8 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -52 | 177.5 | 174.2 | -103.1 | 0 | 0 | 0 | 112.5 | A216 T217 S222 Q223 W224 L244 | A216-F220 WeakPolarHBondContact O-CB 3.33Å; A216-F220 PolarHBondContact O-N 2.91Å; T217-F220 PolarHBondContact O-N 3.31Å; F220-S222 VanDerWaalsContact C-N 3.34Å; F220-S222 PolarHBondContact O-N 3.43Å; F220-Q223 PolarHBondContact O-N 2.92Å; F220-W224 VanDerWaalsContact O-CB 3.28Å; F220-W224 WeakPolarHBondContact O-CB 3.17Å; F220-W224 PolarHBondContact O-N 3.43Å; F220-L244 HydrophobicContact CE1-CD1 4.18Å |
| 221 | Y | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 178.2 | -73.1 | -10.9 | 0 | 0 | 0 | 112.5 | T217 W224 A225 L244 E248 L266 F267 I270 I271 | T217-Y221 HydrophobicContact CG2-CD1 4.14Å; T217-Y221 HydrophobicContact CG2-CD2 3.81Å; T217-Y221 HydrophobicContact CG2-CE1 3.79Å; T217-Y221 HydrophobicContact CG2-CE2 3.42Å; T217-Y221 VanDerWaalsContact CG2-CE2 3.42Å; T217-Y221 HydrophobicContact CG2-CG 4.14Å; T217-Y221 VanDerWaalsContact CG2-CZ 3.41Å; T217-Y221 WeakPolarHBondContact O-CB 3.29Å; T217-Y221 PolarHBondContact O-N 3.39Å; Y221-W224 PolarHBondContact O-N 2.96Å; Y221-A225 VanDerWaalsContact O-CB 3.23Å; Y221-A225 WeakPolarHBondContact O-CB 3.48Å; Y221-A225 PolarHBondContact O-N 3.02Å; Y221-L244 HydrophobicContact CD1-CD2 4.45Å; Y221-L244 HydrophobicContact CE1-CD2 4.42Å; Y221-E248 HydrophobicContact CE1-CG 3.98Å; Y221-E248 VanDerWaalsContact OH-CG 3.26Å; Y221-E248 WeakPolarHBondContact OH-CG 3.28Å; Y221-E248 PolarHBondContact OH-OE2 2.71Å; Y221-L266 HydrophobicContact CD2-CD2 4.37Å; Y221-L266 HydrophobicContact CD2-CG 4.08Å; Y221-L266 HydrophobicContact CE2-CB 4.37Å; Y221-L266 HydrophobicContact CE2-CD2 4.4Å; Y221-L266 HydrophobicContact CE2-CG 4.25Å; Y221-F267 HydrophobicContact CE1-CD2 4.47Å; Y221-F267 HydrophobicContact CE2-CB 3.77Å; Y221-F267 HydrophobicContact CE2-CD2 4.38Å; Y221-I270 HydrophobicContact CD2-CD1 4.45Å; Y221-I271 HydrophobicContact CD1-CD1 4.35Å; Y221-I271 HydrophobicContact CD2-CG1 4.44Å; Y221-I271 HydrophobicContact CG-CD1 4.04Å; Y221-I271 HydrophobicContact CG-CG1 4.2Å; Y221-I271 WeakPolarHBondContact O-CD1 3.41Å |
| 222 | S | 97.2 | Very high | 96.6 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 179.4 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | R218 S219 F220 C226 | R218-S222 VanDerWaalsContact O-CB 3.28Å; R218-S222 WeakPolarHBondContact O-CB 3.33Å; R218-S222 PolarHBondContact O-N 3.37Å; R218-S222 PolarHBondContact O-OG 2.92Å; S219-S222 PolarHBondContact O-N 2.92Å; F220-S222 VanDerWaalsContact C-N 3.34Å; F220-S222 PolarHBondContact O-N 3.43Å; S222-C226 VanDerWaalsContact O-CB 3.24Å; S222-C226 WeakPolarHBondContact O-CB 3.41Å; S222-C226 PolarHBondContact O-N 3.43Å |
| 223 | Q | 96.9 | Very high | 96.4 | Very high | 138 Ų | 138 | 55.5 Ų | 55.5 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.7 | -46.8 | 176.5 | -174.5 | 176.4 | 7.7 | 0 | 0 | 111.3 | S219 F220 A225 C226 Q227 | S219-Q223 WeakPolarHBondContact O-CB 3.41Å; S219-Q223 PolarHBondContact O-N 3.18Å; F220-Q223 PolarHBondContact O-N 2.92Å; Q223-A225 PolarHBondContact O-N 3.21Å; Q223-C226 PolarHBondContact O-N 3.46Å; Q223-Q227 WeakPolarHBondContact O-CB 3.5Å; Q223-Q227 PolarHBondContact O-N 2.9Å |
| 224 | W | 97.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 177.3 | -175.3 | 97.6 | 0 | 0 | 0 | 111.2 | F220 Y221 Q227 R228 Y237 E240 A241 L244 I271 | F220-W224 VanDerWaalsContact O-CB 3.28Å; F220-W224 WeakPolarHBondContact O-CB 3.17Å; F220-W224 PolarHBondContact O-N 3.43Å; Y221-W224 PolarHBondContact O-N 2.96Å; W224-Q227 PolarHBondContact O-N 2.87Å; W224-R228 HydrophobicContact CD2-CG 4.09Å; W224-R228 HydrophobicContact CE3-CG 4.33Å; W224-R228 HydrophobicContact CH2-CB 4.41Å; W224-R228 HydrophobicContact CH2-CG 4.1Å; W224-R228 HydrophobicContact CZ2-CG 3.88Å; W224-R228 HydrophobicContact CZ3-CB 4.38Å; W224-R228 HydrophobicContact CZ3-CG 4.33Å; W224-R228 WeakPolarHBondContact O-CB 3.26Å; W224-R228 WeakPolarHBondContact O-CG 3.5Å; W224-R228 PolarHBondContact O-N 3.31Å; W224-Y237 AromaticContact CZ3-CE2 3.92Å; W224-Y237 HydrophobicContact CZ3-CE2 3.92Å; W224-Y237 AromaticContact CZ3-CZ 3.97Å; W224-E240 HydrophobicContact CH2-CB 4.13Å; W224-E240 HydrophobicContact CZ2-CB 3.86Å; W224-A241 HydrophobicContact CH2-CB 3.95Å; W224-A241 HydrophobicContact CZ3-CB 4.33Å; W224-L244 HydrophobicContact CD2-CD2 3.63Å; W224-L244 HydrophobicContact CE3-CD2 3.97Å; W224-L244 HydrophobicContact CG-CD2 4.04Å; W224-L244 HydrophobicContact CH2-CD2 4.38Å; W224-L244 HydrophobicContact CZ2-CB 4.31Å; W224-L244 HydrophobicContact CZ2-CD2 4.02Å; W224-L244 HydrophobicContact CZ3-CD2 4.35Å; W224-I271 HydrophobicContact CE3-CD1 3.75Å; W224-I271 HydrophobicContact CZ3-CD1 4.25Å; W224-I271 HydrophobicContact CZ3-CG2 3.95Å |
| 225 | A | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y221 Q223 Q227 R228 E229 I271 | Y221-A225 VanDerWaalsContact O-CB 3.23Å; Y221-A225 WeakPolarHBondContact O-CB 3.48Å; Y221-A225 PolarHBondContact O-N 3.02Å; Q223-A225 PolarHBondContact O-N 3.21Å; A225-Q227 PolarHBondContact O-N 3.46Å; A225-R228 PolarHBondContact O-N 3.02Å; A225-E229 WeakPolarHBondContact O-CB 3.42Å; A225-E229 PolarHBondContact O-N 3.27Å; A225-I271 HydrophobicContact CB-CD1 3.87Å |
| 226 | C | 96.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 57.8 Ų | 57.8 | 52% | 0.52 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | S222 Q223 S230 | S222-C226 VanDerWaalsContact O-CB 3.24Å; S222-C226 WeakPolarHBondContact O-CB 3.41Å; S222-C226 PolarHBondContact O-N 3.43Å; Q223-C226 PolarHBondContact O-N 3.46Å; C226-S230 PolarHBondContact O-N 2.95Å; C226-S230 PolarHBondContact O-OG 3.32Å |
| 227 | Q | 96.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 55.7 Ų | 55.7 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -53.2 | 177.4 | -178 | 176.1 | 9.5 | 0 | 0 | 111.1 | Q223 W224 A225 E229 S230 E231 | Q223-Q227 WeakPolarHBondContact O-CB 3.5Å; Q223-Q227 PolarHBondContact O-N 2.9Å; W224-Q227 PolarHBondContact O-N 2.87Å; A225-Q227 PolarHBondContact O-N 3.46Å; Q227-E229 PolarHBondContact O-N 2.88Å; Q227-S230 PolarHBondContact O-N 2.96Å; Q227-S230 VanDerWaalsContact O-N 3.17Å; Q227-S230 PolarHBondContact O-OG 2.88Å; Q227-E231 HydrophobicContact CG-CG 4.48Å; Q227-E231 VanDerWaalsContact CG-OE1 3.24Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.46Å; Q227-E231 PolarHBondContact NE2-OE1 3.16Å; Q227-E231 WeakPolarHBondContact O-CG 3.37Å; Q227-E231 PolarHBondContact O-N 2.88Å; Q227-E231 VanDerWaalsContact O-N 3.11Å |
| 228 | R | 96.3 | Very high | 95.7 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -35.7 | -176.4 | -67.4 | -44.3 | -164.6 | -139.7 | -5 | 113.9 | W224 A225 S230 E231 L232 Y237 E240 | W224-R228 HydrophobicContact CD2-CG 4.09Å; W224-R228 HydrophobicContact CE3-CG 4.33Å; W224-R228 HydrophobicContact CH2-CB 4.41Å; W224-R228 HydrophobicContact CH2-CG 4.1Å; W224-R228 HydrophobicContact CZ2-CG 3.88Å; W224-R228 HydrophobicContact CZ3-CB 4.38Å; W224-R228 HydrophobicContact CZ3-CG 4.33Å; W224-R228 WeakPolarHBondContact O-CB 3.26Å; W224-R228 WeakPolarHBondContact O-CG 3.5Å; W224-R228 PolarHBondContact O-N 3.31Å; A225-R228 PolarHBondContact O-N 3.02Å; R228-S230 VanDerWaalsContact C-N 3.25Å; R228-S230 PolarHBondContact O-N 3.14Å; R228-E231 IonicContact CZ-OE2 2.9Å; R228-E231 IonicContact NH1-OE2 2.72Å; R228-E231 PolarHBondContact NH1-OE2 3.37Å; R228-E231 PolarHBondContact O-N 2.91Å; R228-L232 HydrophobicContact CB-CD1 4.14Å; R228-L232 HydrophobicContact CG-CD1 4.29Å; R228-L232 VanDerWaalsContact O-CB 3.26Å; R228-L232 WeakPolarHBondContact O-CB 3.41Å; R228-L232 PolarHBondContact O-N 3.36Å; R228-Y237 HydrophobicContact CB-CD2 3.72Å; R228-Y237 HydrophobicContact CB-CE2 3.93Å; R228-E240 IonicContact CZ-OE2 2.73Å; R228-E240 IonicContact NE-OE2 3.69Å; R228-E240 PolarHBondContact NE-OE2 3.03Å; R228-E240 IonicContact NH2-OE2 3.21Å |
| 229 | E | 94 | Very high | 95.7 | Very high | 64 Ų | 64 | 54.9 Ų | 54.9 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -32.8 | 174.1 | -177.1 | 179.4 | -164.1 | 0 | 0 | 112.2 | A225 Q227 Y237 R275 F278 | A225-E229 WeakPolarHBondContact O-CB 3.42Å; A225-E229 PolarHBondContact O-N 3.27Å; Q227-E229 PolarHBondContact O-N 2.88Å; E229-Y237 HydrophobicContact CB-CE2 4.34Å; E229-R275 WeakPolarHBondContact OE2-CD 3.12Å; E229-R275 IonicContact OE2-CZ 3.61Å; E229-R275 IonicContact OE2-NE 2.62Å; E229-R275 PolarHBondContact OE2-NE 3.28Å; E229-F278 HydrophobicContact CG-CB 4.5Å; E229-F278 HydrophobicContact CG-CD1 4.24Å; E229-F278 HydrophobicContact CG-CD2 3.94Å; E229-F278 HydrophobicContact CG-CE1 4.45Å; E229-F278 HydrophobicContact CG-CE2 4.16Å; E229-F278 HydrophobicContact CG-CG 3.98Å; E229-F278 HydrophobicContact CG-CZ 4.41Å |
| 230 | S | 94.4 | Very high | 95.7 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 68% | 0.678 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -79.4 | -28.7 | 177.9 | 76.3 | 0 | 0 | 0 | 0 | 114 | C226 Q227 R228 | C226-S230 PolarHBondContact O-N 2.95Å; C226-S230 PolarHBondContact O-OG 3.32Å; Q227-S230 PolarHBondContact O-N 2.96Å; Q227-S230 VanDerWaalsContact O-N 3.17Å; Q227-S230 PolarHBondContact O-OG 2.88Å; R228-S230 VanDerWaalsContact C-N 3.25Å; R228-S230 PolarHBondContact O-N 3.14Å |
| 231 | E | 95 | Very high | 95.7 | Very high | 106 Ų | 106 | 51.8 Ų | 51.8 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -96.5 | -31.9 | -173.8 | -70.4 | 171.6 | 177.9 | 0 | 0 | 113.3 | Q227 R228 | Q227-E231 HydrophobicContact CG-CG 4.48Å; Q227-E231 VanDerWaalsContact CG-OE1 3.24Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.46Å; Q227-E231 PolarHBondContact NE2-OE1 3.16Å; Q227-E231 WeakPolarHBondContact O-CG 3.37Å; Q227-E231 PolarHBondContact O-N 2.88Å; Q227-E231 VanDerWaalsContact O-N 3.11Å; R228-E231 IonicContact CZ-OE2 2.9Å; R228-E231 IonicContact NH1-OE2 2.72Å; R228-E231 PolarHBondContact NH1-OE2 3.37Å; R228-E231 PolarHBondContact O-N 2.91Å |
| 232 | L | 93.8 | Very high | 95.7 | Very high | 32 Ų | 32 | 53 Ų | 53 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -116.5 | 151.4 | -165.9 | -56.6 | 179.8 | 0 | 0 | 0 | 113.1 | R228 Q236 E240 | R228-L232 HydrophobicContact CB-CD1 4.14Å; R228-L232 HydrophobicContact CG-CD1 4.29Å; R228-L232 VanDerWaalsContact O-CB 3.26Å; R228-L232 WeakPolarHBondContact O-CB 3.41Å; R228-L232 PolarHBondContact O-N 3.36Å; L232-Q236 HydrophobicContact CB-CB 4.04Å; L232-Q236 HydrophobicContact CD1-CB 4.27Å; L232-Q236 HydrophobicContact CD2-CB 4.38Å; L232-Q236 HydrophobicContact CG-CB 4.48Å; L232-E240 HydrophobicContact CD1-CG 4.29Å; L232-E240 WeakPolarHBondContact CD1-OE1 3.47Å |
| 233 | G | 92.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | trans | -71.4 | 158 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112 | A235 Q236 Y237 | G233-A235 VanDerWaalsContact C-N 3.32Å; G233-A235 PolarHBondContact O-N 2.78Å; G233-Q236 PolarHBondContact O-N 3.42Å; G233-Y237 PolarHBondContact O-N 3.4Å | ||
| 234 | C | 92.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 10% | 0.101 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -50.4 | -44.6 | -177.5 | 176.3 | 0 | 0 | 0 | 0 | 113.8 | Q236 Y237 V238 F278 | C234-Q236 PolarHBondContact O-N 2.87Å; C234-Y237 WeakPolarHBondContact O-CB 3.49Å; C234-Y237 PolarHBondContact O-N 3.06Å; C234-V238 WeakPolarHBondContact O-CG2 3.24Å; C234-V238 PolarHBondContact O-N 3.38Å; C234-F278 HydrophobicContact CB-CE1 4.26Å; C234-F278 HydrophobicContact CB-CZ 4.18Å |
| 235 | A | 92.8 | Very high | 95.7 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G233 T239 | G233-A235 VanDerWaalsContact C-N 3.32Å; G233-A235 PolarHBondContact O-N 2.78Å; A235-T239 PolarHBondContact O-N 2.86Å; A235-T239 VanDerWaalsContact O-N 3.16Å; A235-T239 PolarHBondContact O-OG1 2.9Å |
| 236 | Q | 94.6 | Very high | 95.7 | Very high | 115 Ų | 115 | 52 Ų | 52 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.2 | -44.5 | 176.7 | -71.7 | 172.7 | -28.6 | 0 | 0 | 110.7 | L232 G233 C234 V238 T239 E240 | L232-Q236 HydrophobicContact CB-CB 4.04Å; L232-Q236 HydrophobicContact CD1-CB 4.27Å; L232-Q236 HydrophobicContact CD2-CB 4.38Å; L232-Q236 HydrophobicContact CG-CB 4.48Å; G233-Q236 PolarHBondContact O-N 3.42Å; C234-Q236 PolarHBondContact O-N 2.87Å; Q236-V238 VanDerWaalsContact C-N 3.33Å; Q236-V238 PolarHBondContact O-N 2.9Å; Q236-T239 PolarHBondContact O-N 3.41Å; Q236-T239 VanDerWaalsContact O-N 3.14Å; Q236-E240 PolarHBondContact O-N 3.17Å |
| 237 | Y | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.7 | -48.6 | 173.9 | -179.8 | -84.5 | 0 | 0 | 0 | 111.9 | W224 R228 E229 G233 C234 T239 E240 A241 I271 F278 L279 | W224-Y237 AromaticContact CZ3-CE2 3.92Å; W224-Y237 HydrophobicContact CZ3-CE2 3.92Å; W224-Y237 AromaticContact CZ3-CZ 3.97Å; R228-Y237 HydrophobicContact CB-CD2 3.72Å; R228-Y237 HydrophobicContact CB-CE2 3.93Å; E229-Y237 HydrophobicContact CB-CE2 4.34Å; G233-Y237 PolarHBondContact O-N 3.4Å; C234-Y237 WeakPolarHBondContact O-CB 3.49Å; C234-Y237 PolarHBondContact O-N 3.06Å; Y237-T239 VanDerWaalsContact C-N 3.31Å; Y237-T239 PolarHBondContact O-N 2.69Å; Y237-E240 PolarHBondContact O-N 3.15Å; Y237-A241 HydrophobicContact CE1-CB 4.36Å; Y237-A241 VanDerWaalsContact O-CB 3.22Å; Y237-A241 WeakPolarHBondContact O-CB 3.26Å; Y237-A241 PolarHBondContact O-N 2.92Å; Y237-I271 HydrophobicContact CE1-CG2 4.34Å; Y237-I271 PolarHBondContact OH-O 2.99Å; Y237-F278 HydrophobicContact CD1-CE1 4.02Å; Y237-F278 HydrophobicContact CD2-CE1 4.03Å; Y237-F278 AromaticContact CG-CE1 3.69Å; Y237-F278 HydrophobicContact CG-CE1 3.69Å; Y237-F278 HydrophobicContact CG-CZ 4.48Å; Y237-L279 HydrophobicContact CD1-CD2 3.83Å; Y237-L279 HydrophobicContact CE1-CD2 4.04Å |
| 238 | V | 96.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 179.2 | 171 | 0 | 0 | 0 | 0 | 111.2 | C234 Q236 A241 L242 L279 N297 L298 L301 | C234-V238 WeakPolarHBondContact O-CG2 3.24Å; C234-V238 PolarHBondContact O-N 3.38Å; Q236-V238 VanDerWaalsContact C-N 3.33Å; Q236-V238 PolarHBondContact O-N 2.9Å; V238-A241 PolarHBondContact O-N 3.35Å; V238-L242 HydrophobicContact CG1-CD1 4.3Å; V238-L242 WeakPolarHBondContact O-CG 3.4Å; V238-L242 PolarHBondContact O-N 3.46Å; V238-L279 HydrophobicContact CG2-CD2 3.72Å; V238-N297 VanDerWaalsContact CG1-C 3.47Å; V238-N297 HydrophobicContact CG1-CB 3.78Å; V238-L298 HydrophobicContact CG2-CD1 3.91Å; V238-L301 HydrophobicContact CB-CD2 4.43Å; V238-L301 HydrophobicContact CG1-CB 4.3Å; V238-L301 HydrophobicContact CG1-CD2 4.28Å; V238-L301 HydrophobicContact CG2-CD2 3.98Å |
| 239 | T | 96.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 50 Ų | 50 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | A235 Q236 Y237 A241 L242 A243 | A235-T239 PolarHBondContact O-N 2.86Å; A235-T239 VanDerWaalsContact O-N 3.16Å; A235-T239 PolarHBondContact O-OG1 2.9Å; Q236-T239 PolarHBondContact O-N 3.41Å; Q236-T239 VanDerWaalsContact O-N 3.14Å; Y237-T239 VanDerWaalsContact C-N 3.31Å; Y237-T239 PolarHBondContact O-N 2.69Å; T239-A241 VanDerWaalsContact C-N 3.35Å; T239-A241 PolarHBondContact O-N 3.4Å; T239-L242 PolarHBondContact O-N 2.81Å; T239-A243 PolarHBondContact O-N 3.37Å; T239-A243 VanDerWaalsContact O-N 3.14Å |
| 240 | E | 97.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -36.6 | 176 | -68.8 | -164.4 | -160.6 | 0 | 0 | 112.3 | W224 R228 L232 Q236 Y237 L242 A243 L244 | W224-E240 HydrophobicContact CH2-CB 4.13Å; W224-E240 HydrophobicContact CZ2-CB 3.86Å; R228-E240 IonicContact CZ-OE2 2.73Å; R228-E240 IonicContact NE-OE2 3.69Å; R228-E240 PolarHBondContact NE-OE2 3.03Å; R228-E240 IonicContact NH2-OE2 3.21Å; L232-E240 HydrophobicContact CD1-CG 4.29Å; L232-E240 WeakPolarHBondContact CD1-OE1 3.47Å; Q236-E240 PolarHBondContact O-N 3.17Å; Y237-E240 PolarHBondContact O-N 3.15Å; E240-L242 PolarHBondContact O-N 3.26Å; E240-A243 WeakPolarHBondContact O-CB 3.49Å; E240-A243 PolarHBondContact O-N 2.97Å; E240-L244 WeakPolarHBondContact O-CB 3.45Å; E240-L244 PolarHBondContact O-N 2.76Å |
| 241 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W224 Y237 V238 T239 L244 R245 F267 I271 L301 | W224-A241 HydrophobicContact CH2-CB 3.95Å; W224-A241 HydrophobicContact CZ3-CB 4.33Å; Y237-A241 HydrophobicContact CE1-CB 4.36Å; Y237-A241 VanDerWaalsContact O-CB 3.22Å; Y237-A241 WeakPolarHBondContact O-CB 3.26Å; Y237-A241 PolarHBondContact O-N 2.92Å; V238-A241 PolarHBondContact O-N 3.35Å; T239-A241 VanDerWaalsContact C-N 3.35Å; T239-A241 PolarHBondContact O-N 3.4Å; A241-L244 PolarHBondContact O-N 3.26Å; A241-R245 WeakPolarHBondContact O-CB 3.12Å; A241-R245 PolarHBondContact O-N 3.14Å; A241-F267 HydrophobicContact CB-CZ 4.25Å; A241-F267 WeakPolarHBondContact O-CZ 3.33Å; A241-I271 HydrophobicContact CB-CG2 3.89Å; A241-L301 HydrophobicContact CB-CD1 3.81Å; A241-L301 HydrophobicContact CB-CD2 4.42Å |
| 242 | L | 97.7 | Very high | 96 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | 175 | -72.5 | 174.1 | 0 | 0 | 0 | 112.5 | V238 T239 E240 T246 N297 R300 L301 | V238-L242 HydrophobicContact CG1-CD1 4.3Å; V238-L242 WeakPolarHBondContact O-CG 3.4Å; V238-L242 PolarHBondContact O-N 3.46Å; T239-L242 PolarHBondContact O-N 2.81Å; E240-L242 PolarHBondContact O-N 3.26Å; L242-T246 PolarHBondContact O-N 3.46Å; L242-T246 VanDerWaalsContact O-N 3.14Å; L242-T246 PolarHBondContact O-OG1 3.35Å; L242-N297 HydrophobicContact CD1-CB 3.81Å; L242-R300 HydrophobicContact CD1-CB 4.45Å; L242-R300 HydrophobicContact CD2-CB 4.14Å; L242-L301 HydrophobicContact CD2-CB 4.36Å; L242-L301 HydrophobicContact CD2-CD1 4.1Å; L242-L301 HydrophobicContact CG-CD1 4.36Å |
| 243 | A | 97.2 | Very high | 96.2 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -51.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T239 E240 R245 T246 E247 | T239-A243 PolarHBondContact O-N 3.37Å; T239-A243 VanDerWaalsContact O-N 3.14Å; E240-A243 WeakPolarHBondContact O-CB 3.49Å; E240-A243 PolarHBondContact O-N 2.97Å; A243-R245 VanDerWaalsContact C-N 3.31Å; A243-R245 PolarHBondContact O-N 3.5Å; A243-T246 WeakPolarHBondContact O-CB 3.44Å; A243-T246 PolarHBondContact O-N 3.37Å; A243-E247 WeakPolarHBondContact O-CG 3.49Å; A243-E247 PolarHBondContact O-N 3.42Å |
| 244 | L | 97.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.9 | -43 | 176.9 | 178.3 | 63.4 | 0 | 0 | 0 | 112.2 | F220 Y221 W224 E240 A241 T246 E247 E248 F267 | F220-L244 HydrophobicContact CE1-CD1 4.18Å; Y221-L244 HydrophobicContact CD1-CD2 4.45Å; Y221-L244 HydrophobicContact CE1-CD2 4.42Å; W224-L244 HydrophobicContact CD2-CD2 3.63Å; W224-L244 HydrophobicContact CE3-CD2 3.97Å; W224-L244 HydrophobicContact CG-CD2 4.04Å; W224-L244 HydrophobicContact CH2-CD2 4.38Å; W224-L244 HydrophobicContact CZ2-CB 4.31Å; W224-L244 HydrophobicContact CZ2-CD2 4.02Å; W224-L244 HydrophobicContact CZ3-CD2 4.35Å; E240-L244 WeakPolarHBondContact O-CB 3.45Å; E240-L244 PolarHBondContact O-N 2.76Å; A241-L244 PolarHBondContact O-N 3.26Å; L244-T246 VanDerWaalsContact C-N 3.27Å; L244-T246 PolarHBondContact O-N 3.46Å; L244-E247 PolarHBondContact O-N 2.98Å; L244-E248 HydrophobicContact CD1-CG 4.04Å; L244-E248 HydrophobicContact CG-CG 4.41Å; L244-E248 WeakPolarHBondContact O-CB 3.45Å; L244-E248 WeakPolarHBondContact O-CG 3.42Å; L244-E248 PolarHBondContact O-N 3.41Å; L244-F267 HydrophobicContact CB-CE2 4.35Å; L244-F267 HydrophobicContact CD2-CE2 4.08Å; L244-F267 HydrophobicContact CG-CE2 4.09Å |
| 245 | R | 97.4 | Very high | 96.4 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -42.1 | 176.2 | -174.7 | -173.1 | -71.7 | 175.2 | -7.7 | 111.6 | A241 A243 H249 F267 R300 L301 | A241-R245 WeakPolarHBondContact O-CB 3.12Å; A241-R245 PolarHBondContact O-N 3.14Å; A243-R245 VanDerWaalsContact C-N 3.31Å; A243-R245 PolarHBondContact O-N 3.5Å; R245-H249 VanDerWaalsContact O-CB 3.24Å; R245-H249 WeakPolarHBondContact O-CB 3.26Å; R245-H249 PolarHBondContact O-N 2.83Å; R245-F267 HydrophobicContact CB-CD2 4.41Å; R245-F267 HydrophobicContact CB-CE1 4.08Å; R245-F267 HydrophobicContact CB-CE2 3.85Å; R245-F267 HydrophobicContact CB-CZ 3.69Å; R245-F267 HydrophobicContact CG-CD1 4.41Å; R245-F267 HydrophobicContact CG-CE1 4.26Å; R245-F267 HydrophobicContact CG-CZ 4.36Å; R245-F267 VanDerWaalsContact NE-CE1 3.3Å; R245-R300 PolarHBondContact NH1-O 2.93Å; R245-L301 PolarHBondContact NH2-O 3.39Å |
| 246 | T | 97.2 | Very high | 96.5 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.4 | -43.7 | -179.6 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | L242 A243 L244 H249 N250 | L242-T246 PolarHBondContact O-N 3.46Å; L242-T246 VanDerWaalsContact O-N 3.14Å; L242-T246 PolarHBondContact O-OG1 3.35Å; A243-T246 WeakPolarHBondContact O-CB 3.44Å; A243-T246 PolarHBondContact O-N 3.37Å; L244-T246 VanDerWaalsContact C-N 3.27Å; L244-T246 PolarHBondContact O-N 3.46Å; T246-H249 PolarHBondContact O-N 2.87Å; T246-N250 WeakPolarHBondContact O-CB 3.36Å; T246-N250 PolarHBondContact O-N 3.48Å; T246-N250 PolarHBondContact O-ND2 2.99Å |
| 247 | E | 96.5 | Very high | 96.5 | Very high | 105 Ų | 105 | 47.6 Ų | 47.6 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61 | -49.5 | 175.6 | -69.2 | 172 | -171.9 | 0 | 0 | 112.1 | A243 L244 H249 N250 R251 | A243-E247 WeakPolarHBondContact O-CG 3.49Å; A243-E247 PolarHBondContact O-N 3.42Å; L244-E247 PolarHBondContact O-N 2.98Å; E247-H249 VanDerWaalsContact C-N 3.34Å; E247-H249 PolarHBondContact O-N 2.82Å; E247-N250 PolarHBondContact O-N 3.19Å; E247-R251 WeakPolarHBondContact O-CB 3.37Å; E247-R251 PolarHBondContact O-N 3.2Å |
| 248 | E | 96.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 178.1 | -74.4 | -74.4 | 135 | 0 | 0 | 112.2 | R171 Y221 L244 R251 A252 | R171-E248 IonicContact CZ-OE1 3.79Å; R171-E248 IonicContact CZ-OE2 2.64Å; R171-E248 IonicContact NE-OE1 3.38Å; R171-E248 PolarHBondContact NE-OE1 2.96Å; R171-E248 IonicContact NE-OE2 3.99Å; R171-E248 IonicContact NH2-OE1 2.6Å; R171-E248 PolarHBondContact NH2-OE1 3.3Å; R171-E248 IonicContact NH2-OE2 3.71Å; R171-E248 PolarHBondContact NH2-OE2 3.13Å; Y221-E248 HydrophobicContact CE1-CG 3.98Å; Y221-E248 VanDerWaalsContact OH-CG 3.26Å; Y221-E248 WeakPolarHBondContact OH-CG 3.28Å; Y221-E248 PolarHBondContact OH-OE2 2.71Å; L244-E248 HydrophobicContact CD1-CG 4.04Å; L244-E248 HydrophobicContact CG-CG 4.41Å; L244-E248 WeakPolarHBondContact O-CB 3.45Å; L244-E248 WeakPolarHBondContact O-CG 3.42Å; L244-E248 PolarHBondContact O-N 3.41Å; E248-R251 VanDerWaalsContact CD-NH1 3.27Å; E248-R251 IonicContact OE1-CZ 3.82Å; E248-R251 IonicContact OE1-NH1 3.07Å; E248-R251 PolarHBondContact OE1-NH1 3.38Å; E248-A252 VanDerWaalsContact O-CB 3.29Å; E248-A252 WeakPolarHBondContact O-CB 3.42Å; E248-A252 PolarHBondContact O-N 3.05Å |
| 249 | H | 96.8 | Very high | 96.2 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 32% | 0.324 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 173.6 | 178.1 | 77.2 | 0 | 0 | 0 | 111.6 | R245 T246 E247 A252 M253 Q264 | R245-H249 VanDerWaalsContact O-CB 3.24Å; R245-H249 WeakPolarHBondContact O-CB 3.26Å; R245-H249 PolarHBondContact O-N 2.83Å; T246-H249 PolarHBondContact O-N 2.87Å; E247-H249 VanDerWaalsContact C-N 3.34Å; E247-H249 PolarHBondContact O-N 2.82Å; H249-A252 PolarHBondContact O-N 3.45Å; H249-M253 WeakPolarHBondContact O-CB 3.28Å; H249-M253 WeakPolarHBondContact O-CG 3.46Å; H249-M253 PolarHBondContact O-N 2.82Å; H249-Q264 PolarHBondContact ND1-NE2 2.58Å |
| 250 | N | 96.7 | Very high | 96.2 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 178.9 | -69.5 | -22.1 | 0 | 0 | 0 | 111.2 | T246 E247 M253 Q254 | T246-N250 WeakPolarHBondContact O-CB 3.36Å; T246-N250 PolarHBondContact O-N 3.48Å; T246-N250 PolarHBondContact O-ND2 2.99Å; E247-N250 PolarHBondContact O-N 3.19Å; N250-M253 PolarHBondContact O-N 2.91Å; N250-Q254 WeakPolarHBondContact O-CB 3.27Å; N250-Q254 PolarHBondContact O-N 2.82Å |
| 251 | R | 96.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 175.2 | -178.5 | -176.7 | -68.8 | 101.4 | 17.5 | 112 | D170 E247 E248 M253 Q254 Y255 Y256 | D170-R251 IonicContact OD2-CZ 3.97Å; D170-R251 VanDerWaalsContact OD2-CZ 3.26Å; D170-R251 IonicContact OD2-NE 3.27Å; D170-R251 PolarHBondContact OD2-NE 2.95Å; D170-R251 IonicContact OD2-NH2 2.88Å; D170-R251 PolarHBondContact OD2-NH2 3.48Å; E247-R251 WeakPolarHBondContact O-CB 3.37Å; E247-R251 PolarHBondContact O-N 3.2Å; E248-R251 VanDerWaalsContact CD-NH1 3.27Å; E248-R251 IonicContact OE1-CZ 3.82Å; E248-R251 IonicContact OE1-NH1 3.07Å; E248-R251 PolarHBondContact OE1-NH1 3.38Å; R251-M253 PolarHBondContact O-N 2.91Å; R251-Q254 PolarHBondContact O-N 3.47Å; R251-Y255 HydrophobicContact CG-CD2 3.78Å; R251-Y255 HydrophobicContact CG-CE2 4.03Å; R251-Y255 VanDerWaalsContact O-CD2 3.25Å; R251-Y255 WeakPolarHBondContact O-CD2 3.2Å; R251-Y255 PolarHBondContact O-N 3.47Å; R251-Y256 WeakPolarHBondContact CD-OH 3.35Å; R251-Y256 HydrophobicContact CG-CE1 4.18Å; R251-Y256 WeakPolarHBondContact CG-OH 3.4Å |
| 252 | A | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E248 H249 Q254 Y256 K257 L260 | E248-A252 VanDerWaalsContact O-CB 3.29Å; E248-A252 WeakPolarHBondContact O-CB 3.42Å; E248-A252 PolarHBondContact O-N 3.05Å; H249-A252 PolarHBondContact O-N 3.45Å; A252-Q254 VanDerWaalsContact C-N 3.3Å; A252-Q254 PolarHBondContact O-N 2.94Å; A252-Y256 VanDerWaalsContact CA-CE2 3.42Å; A252-Y256 HydrophobicContact CB-CD2 3.79Å; A252-Y256 HydrophobicContact CB-CE2 3.43Å; A252-Y256 VanDerWaalsContact CB-CE2 3.43Å; A252-Y256 CarbonylContact O-C 3.52Å; A252-Y256 PolarHBondContact O-N 3.04Å; A252-K257 PolarHBondContact O-N 2.85Å; A252-K257 VanDerWaalsContact O-N 3.11Å; A252-L260 HydrophobicContact CB-CB 4.33Å; A252-L260 HydrophobicContact CB-CD1 3.58Å |
| 253 | M | 96.4 | Very high | 96 | Very high | 78 Ų | 78 | 51.4 Ų | 51.4 | 38% | 0.384 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -33.4 | 175.7 | -80.1 | -63.5 | -70.1 | 0 | 0 | 113 | H249 N250 R251 K257 L260 | H249-M253 WeakPolarHBondContact O-CB 3.28Å; H249-M253 WeakPolarHBondContact O-CG 3.46Å; H249-M253 PolarHBondContact O-N 2.82Å; N250-M253 PolarHBondContact O-N 2.91Å; R251-M253 PolarHBondContact O-N 2.91Å; M253-K257 WeakPolarHBondContact O-CE 3.3Å; M253-K257 VanDerWaalsContact O-CG 3.31Å; M253-K257 WeakPolarHBondContact O-CG 3.33Å; M253-K257 HydrophobicContact SD-CG 4.48Å; M253-L260 HydrophobicContact CG-CD2 4.21Å; M253-L260 HydrophobicContact SD-CD2 3.67Å |
| 254 | Q | 94.3 | Very high | 96 | Very high | 112 Ų | 112 | 53 Ų | 53 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -76.7 | -46.3 | 179.2 | -173.1 | 174.1 | -9.6 | 0 | 0 | 112 | N250 R251 A252 | N250-Q254 WeakPolarHBondContact O-CB 3.27Å; N250-Q254 PolarHBondContact O-N 2.82Å; R251-Q254 PolarHBondContact O-N 3.47Å; A252-Q254 VanDerWaalsContact C-N 3.3Å; A252-Q254 PolarHBondContact O-N 2.94Å |
| 255 | Y | 95 | Very high | 96 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -107.5 | -36.9 | -167.5 | -55.8 | -56.7 | 0 | 0 | 0 | 114.8 | D170 Q178 I181 R251 | D170-Y255 HydrophobicContact CB-CE2 4.36Å; D170-Y255 VanDerWaalsContact OD1-CE2 3.27Å; D170-Y255 WeakPolarHBondContact OD1-CE2 3.11Å; D170-Y255 PolarHBondContact OD1-OH 2.9Å; Q178-Y255 HydrophobicContact CB-CD1 4.42Å; Q178-Y255 HydrophobicContact CB-CE1 3.58Å; Q178-Y255 HydrophobicContact CB-CE2 4.45Å; Q178-Y255 WeakPolarHBondContact CB-OH 3.4Å; I181-Y255 HydrophobicContact CB-CD1 4.47Å; I181-Y255 HydrophobicContact CD1-CD1 4.25Å; I181-Y255 HydrophobicContact CD1-CD2 4.48Å; I181-Y255 HydrophobicContact CD1-CG 4.1Å; R251-Y255 HydrophobicContact CG-CD2 3.78Å; R251-Y255 HydrophobicContact CG-CE2 4.03Å; R251-Y255 VanDerWaalsContact O-CD2 3.25Å; R251-Y255 WeakPolarHBondContact O-CD2 3.2Å; R251-Y255 PolarHBondContact O-N 3.47Å |
| 256 | Y | 95.4 | Very high | 96 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | trans | -145.9 | 62.3 | -167.9 | 45.6 | -97.4 | 0 | 0 | 0 | 113.9 | V167 F209 L213 R251 A252 C258 S259 M263 | V167-Y256 HydrophobicContact CG1-CE1 4.47Å; V167-Y256 HydrophobicContact CG2-CE1 3.96Å; F209-Y256 VanDerWaalsContact CE1-CB 3.47Å; F209-Y256 HydrophobicContact CE1-CD1 4.13Å; F209-Y256 HydrophobicContact CE1-CD2 4.48Å; F209-Y256 AromaticContact CE1-CG 3.81Å; F209-Y256 HydrophobicContact CE1-CG 3.81Å; F209-Y256 AromaticContact CZ-CD1 3.59Å; F209-Y256 HydrophobicContact CZ-CD1 3.59Å; F209-Y256 HydrophobicContact CZ-CE1 4.32Å; F209-Y256 AromaticContact CZ-CG 3.77Å; F209-Y256 HydrophobicContact CZ-CG 3.77Å; L213-Y256 HydrophobicContact CD2-CD2 3.84Å; L213-Y256 HydrophobicContact CD2-CE2 3.8Å; L213-Y256 HydrophobicContact CD2-CG 4.28Å; R251-Y256 WeakPolarHBondContact CD-OH 3.35Å; R251-Y256 HydrophobicContact CG-CE1 4.18Å; R251-Y256 WeakPolarHBondContact CG-OH 3.4Å; A252-Y256 VanDerWaalsContact CA-CE2 3.42Å; A252-Y256 HydrophobicContact CB-CD2 3.79Å; A252-Y256 HydrophobicContact CB-CE2 3.43Å; A252-Y256 VanDerWaalsContact CB-CE2 3.43Å; A252-Y256 CarbonylContact O-C 3.52Å; A252-Y256 PolarHBondContact O-N 3.04Å; Y256-C258 PolarHBondContact O-N 2.96Å; Y256-C258 VanDerWaalsContact O-N 3.1Å; Y256-S259 PolarHBondContact O-N 3.41Å; Y256-M263 HydrophobicContact CE2-CG 3.96Å | ||
| 257 | K | 94.3 | Very high | 96.1 | Very high | 135 Ų | 135 | 50.8 Ų | 50.8 | 59% | 0.587 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -52.4 | -36.6 | -177 | -64.6 | 179.8 | -178.7 | 177.8 | 0 | 114.2 | A252 M253 S259 L260 | A252-K257 PolarHBondContact O-N 2.85Å; A252-K257 VanDerWaalsContact O-N 3.11Å; M253-K257 WeakPolarHBondContact O-CE 3.3Å; M253-K257 VanDerWaalsContact O-CG 3.31Å; M253-K257 WeakPolarHBondContact O-CG 3.33Å; M253-K257 HydrophobicContact SD-CG 4.48Å; K257-S259 PolarHBondContact O-N 3.16Å; K257-L260 WeakPolarHBondContact O-CB 3.24Å; K257-L260 PolarHBondContact O-N 3.38Å |
| 258 | C | 93.1 | Very high | 96.1 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 46% | 0.459 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -61.7 | -27.8 | 179.6 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | Y205 Y256 | Y205-C258 HydrophobicContact CE1-CB 4.05Å; Y205-C258 HydrophobicContact CE2-CB 4.46Å; Y256-C258 PolarHBondContact O-N 2.96Å; Y256-C258 VanDerWaalsContact O-N 3.1Å |
| 259 | S | 95.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -100 | 4.2 | -179.3 | -56.2 | 0 | 0 | 0 | 0 | 113.7 | Y205 Q210 Y256 K257 L261 S262 M263 | Y205-S259 VanDerWaalsContact CE1-OG 3.24Å; Y205-S259 WeakPolarHBondContact CE1-OG 3.46Å; Y205-S259 PolarHBondContact OH-OG 3.01Å; Q210-S259 WeakPolarHBondContact CG-OG 3.42Å; Q210-S259 PolarHBondContact OE1-OG 2.9Å; Y256-S259 PolarHBondContact O-N 3.41Å; K257-S259 PolarHBondContact O-N 3.16Å; S259-L261 PolarHBondContact O-N 2.97Å; S259-S262 PolarHBondContact O-N 3.14Å; S259-M263 WeakPolarHBondContact O-CG 3.22Å; S259-M263 PolarHBondContact O-N 3.37Å |
| 260 | L | 96.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55 | -49 | -177.7 | 174.1 | 65.6 | 0 | 0 | 0 | 112.5 | A252 M253 K257 S262 M263 Q264 | A252-L260 HydrophobicContact CB-CB 4.33Å; A252-L260 HydrophobicContact CB-CD1 3.58Å; M253-L260 HydrophobicContact CG-CD2 4.21Å; M253-L260 HydrophobicContact SD-CD2 3.67Å; K257-L260 WeakPolarHBondContact O-CB 3.24Å; K257-L260 PolarHBondContact O-N 3.38Å; L260-S262 VanDerWaalsContact C-N 3.33Å; L260-S262 PolarHBondContact O-N 3.32Å; L260-M263 PolarHBondContact O-N 2.95Å; L260-Q264 HydrophobicContact CD1-CG 4.23Å; L260-Q264 WeakPolarHBondContact O-CG 3.36Å; L260-Q264 PolarHBondContact O-N 3.42Å |
| 261 | L | 96.4 | Very high | 96.1 | Very high | 110 Ų | 110 | 41.9 Ų | 41.9 | 58% | 0.576 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.3 | -40.1 | -178.6 | -178 | 61.3 | 0 | 0 | 0 | 111.5 | S259 M263 Q264 N265 | S259-L261 PolarHBondContact O-N 2.97Å; L261-M263 VanDerWaalsContact C-N 3.33Å; L261-M263 PolarHBondContact O-N 3.47Å; L261-Q264 PolarHBondContact O-N 3.47Å; L261-N265 WeakPolarHBondContact O-CB 3.24Å; L261-N265 PolarHBondContact O-N 2.84Å; L261-N265 PolarHBondContact O-ND2 3.44Å |
| 262 | S | 96 | Very high | 96.2 | Very high | 35 Ų | 35 | 41 Ų | 41 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 175.2 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | Q210 S259 L260 L266 | Q210-S262 PolarHBondContact NE2-OG 3.43Å; S259-S262 PolarHBondContact O-N 3.14Å; L260-S262 VanDerWaalsContact C-N 3.33Å; L260-S262 PolarHBondContact O-N 3.32Å; S262-L266 VanDerWaalsContact O-CB 3.3Å; S262-L266 WeakPolarHBondContact O-CB 3.48Å; S262-L266 PolarHBondContact O-N 2.97Å |
| 263 | M | 96.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.6 | -40.1 | 176.6 | -64.6 | -57.5 | 98.5 | 0 | 0 | 112.5 | L213 I214 T217 Y256 S259 L260 L261 L266 F267 | L213-M263 HydrophobicContact CD2-CE 3.98Å; L213-M263 HydrophobicContact CD2-CG 4.48Å; L213-M263 HydrophobicContact CD2-SD 3.91Å; L213-M263 HydrophobicContact CG-CE 4.06Å; L213-M263 HydrophobicContact CG-SD 3.98Å; I214-M263 HydrophobicContact CB-CE 4.4Å; I214-M263 HydrophobicContact CG1-CE 3.47Å; I214-M263 VanDerWaalsContact CG1-CE 3.47Å; T217-M263 HydrophobicContact CG2-SD 4.01Å; Y256-M263 HydrophobicContact CE2-CG 3.96Å; S259-M263 WeakPolarHBondContact O-CG 3.22Å; S259-M263 PolarHBondContact O-N 3.37Å; L260-M263 PolarHBondContact O-N 2.95Å; L261-M263 VanDerWaalsContact C-N 3.33Å; L261-M263 PolarHBondContact O-N 3.47Å; M263-L266 HydrophobicContact CE-CD2 4.5Å; M263-L266 PolarHBondContact O-N 3.03Å; M263-F267 WeakPolarHBondContact O-CB 3.36Å; M263-F267 PolarHBondContact O-N 2.88Å |
| 264 | Q | 96.6 | Very high | 96.2 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 175.4 | -74 | 177.9 | -32 | 0 | 0 | 111.2 | H249 L260 L261 F267 Q268 | H249-Q264 PolarHBondContact ND1-NE2 2.58Å; L260-Q264 HydrophobicContact CD1-CG 4.23Å; L260-Q264 WeakPolarHBondContact O-CG 3.36Å; L260-Q264 PolarHBondContact O-N 3.42Å; L261-Q264 PolarHBondContact O-N 3.47Å; Q264-F267 PolarHBondContact O-N 3.38Å; Q264-Q268 VanDerWaalsContact O-CG 3.24Å; Q264-Q268 WeakPolarHBondContact O-CG 3.23Å; Q264-Q268 PolarHBondContact O-N 3.39Å |
| 265 | N | 97.1 | Very high | 96.2 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 47% | 0.465 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 176.8 | -69.4 | -16.3 | 0 | 0 | 0 | 111.5 | L261 F267 Q268 E269 | L261-N265 WeakPolarHBondContact O-CB 3.24Å; L261-N265 PolarHBondContact O-N 2.84Å; L261-N265 PolarHBondContact O-ND2 3.44Å; N265-F267 PolarHBondContact O-N 3.32Å; N265-Q268 PolarHBondContact O-N 3.01Å; N265-E269 WeakPolarHBondContact O-CB 3.41Å; N265-E269 PolarHBondContact O-N 3.01Å |
| 266 | L | 97.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 178.4 | -170.6 | 66.4 | 0 | 0 | 0 | 112.4 | I214 T217 R218 Y221 S262 M263 Q268 I270 | I214-L266 HydrophobicContact CG2-CD2 4.25Å; I214-L266 WeakPolarHBondContact O-CD2 3.14Å; T217-L266 HydrophobicContact CG2-CD2 3.8Å; R218-L266 HydrophobicContact CB-CD1 4.3Å; R218-L266 HydrophobicContact CB-CD2 4.34Å; Y221-L266 HydrophobicContact CD2-CD2 4.37Å; Y221-L266 HydrophobicContact CD2-CG 4.08Å; Y221-L266 HydrophobicContact CE2-CB 4.37Å; Y221-L266 HydrophobicContact CE2-CD2 4.4Å; Y221-L266 HydrophobicContact CE2-CG 4.25Å; S262-L266 VanDerWaalsContact O-CB 3.3Å; S262-L266 WeakPolarHBondContact O-CB 3.48Å; S262-L266 PolarHBondContact O-N 2.97Å; M263-L266 HydrophobicContact CE-CD2 4.5Å; M263-L266 PolarHBondContact O-N 3.03Å; L266-Q268 VanDerWaalsContact C-N 3.35Å; L266-I270 HydrophobicContact CD1-CD1 3.57Å; L266-I270 HydrophobicContact CD1-CG1 4.26Å; L266-I270 HydrophobicContact CG-CD1 3.9Å; L266-I270 PolarHBondContact O-N 3.1Å |
| 267 | F | 98.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 172.6 | 178.9 | -78.3 | 0 | 0 | 0 | 110 | Y221 A241 L244 R245 M263 Q264 N265 E269 I271 V272 L301 | Y221-F267 HydrophobicContact CE1-CD2 4.47Å; Y221-F267 HydrophobicContact CE2-CB 3.77Å; Y221-F267 HydrophobicContact CE2-CD2 4.38Å; A241-F267 HydrophobicContact CB-CZ 4.25Å; A241-F267 WeakPolarHBondContact O-CZ 3.33Å; L244-F267 HydrophobicContact CB-CE2 4.35Å; L244-F267 HydrophobicContact CD2-CE2 4.08Å; L244-F267 HydrophobicContact CG-CE2 4.09Å; R245-F267 HydrophobicContact CB-CD2 4.41Å; R245-F267 HydrophobicContact CB-CE1 4.08Å; R245-F267 HydrophobicContact CB-CE2 3.85Å; R245-F267 HydrophobicContact CB-CZ 3.69Å; R245-F267 HydrophobicContact CG-CD1 4.41Å; R245-F267 HydrophobicContact CG-CE1 4.26Å; R245-F267 HydrophobicContact CG-CZ 4.36Å; R245-F267 VanDerWaalsContact NE-CE1 3.3Å; M263-F267 WeakPolarHBondContact O-CB 3.36Å; M263-F267 PolarHBondContact O-N 2.88Å; Q264-F267 PolarHBondContact O-N 3.38Å; N265-F267 PolarHBondContact O-N 3.32Å; F267-E269 PolarHBondContact O-N 3.5Å; F267-I271 HydrophobicContact CD1-CB 4.33Å; F267-I271 HydrophobicContact CD2-CB 4.37Å; F267-I271 HydrophobicContact CD2-CG1 3.82Å; F267-I271 HydrophobicContact CE1-CB 4.06Å; F267-I271 HydrophobicContact CE1-CG2 4.09Å; F267-I271 HydrophobicContact CE2-CB 4.15Å; F267-I271 HydrophobicContact CE2-CG1 3.85Å; F267-I271 HydrophobicContact CE2-CG2 4.07Å; F267-I271 HydrophobicContact CG-CB 4.44Å; F267-I271 HydrophobicContact CG-CG1 4.18Å; F267-I271 HydrophobicContact CZ-CB 3.96Å; F267-I271 HydrophobicContact CZ-CG1 4.2Å; F267-I271 HydrophobicContact CZ-CG2 3.66Å; F267-I271 VanDerWaalsContact O-CB 3.23Å; F267-I271 WeakPolarHBondContact O-CB 3.04Å; F267-I271 PolarHBondContact O-N 2.91Å; F267-V272 HydrophobicContact CD1-CG2 4.38Å; F267-V272 HydrophobicContact CE1-CG2 3.92Å; F267-L301 HydrophobicContact CE1-CD1 4.13Å; F267-L301 HydrophobicContact CZ-CD1 4.36Å |
| 268 | Q | 97.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -64.6 | -39.6 | -179 | -68.9 | -66.4 | 83.3 | 0 | 0 | 112.6 | Q264 N265 L266 V272 E273 N305 | Q264-Q268 VanDerWaalsContact O-CG 3.24Å; Q264-Q268 WeakPolarHBondContact O-CG 3.23Å; Q264-Q268 PolarHBondContact O-N 3.39Å; N265-Q268 PolarHBondContact O-N 3.01Å; L266-Q268 VanDerWaalsContact C-N 3.35Å; Q268-V272 WeakPolarHBondContact O-CB 3.21Å; Q268-V272 PolarHBondContact O-N 2.86Å; Q268-V272 VanDerWaalsContact OE1-CG2 3.26Å; Q268-E273 WeakPolarHBondContact O-CB 3.2Å; Q268-E273 PolarHBondContact O-N 2.68Å; Q268-N305 WeakPolarHBondContact CB-OD1 3.41Å; Q268-N305 VanDerWaalsContact CG-OD1 3.27Å; Q268-N305 WeakPolarHBondContact CG-OD1 3.32Å; Q268-N305 PolarHBondContact NE2-OD1 3.28Å |
| 269 | E | 97 | Very high | 96.3 | Very high | 76 Ų | 76 | 42.9 Ų | 42.9 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -62.3 | -54.7 | 176.2 | -174.5 | -167.4 | 153 | 0 | 0 | 111.2 | N265 F267 E273 Q274 | N265-E269 WeakPolarHBondContact O-CB 3.41Å; N265-E269 PolarHBondContact O-N 3.01Å; F267-E269 PolarHBondContact O-N 3.5Å; E269-E273 WeakPolarHBondContact O-CB 3.23Å; E269-E273 PolarHBondContact O-N 3.39Å; E269-Q274 WeakPolarHBondContact O-CG 3.39Å; E269-Q274 PolarHBondContact O-N 3.44Å |
| 270 | I | 97 | Very high | 96.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -85.6 | -48 | -167.7 | -59.8 | 173.7 | 0 | 0 | 0 | 112.4 | R218 Y221 L266 | R218-I270 HydrophobicContact CB-CD1 3.99Å; R218-I270 HydrophobicContact CG-CD1 3.7Å; Y221-I270 HydrophobicContact CD2-CD1 4.45Å; L266-I270 HydrophobicContact CD1-CD1 3.57Å; L266-I270 HydrophobicContact CD1-CG1 4.26Å; L266-I270 HydrophobicContact CG-CD1 3.9Å; L266-I270 PolarHBondContact O-N 3.1Å |
| 271 | I | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -78.5 | -29.4 | -174.1 | -53.5 | -58 | 0 | 0 | 0 | 111 | Y221 W224 A225 Y237 A241 F267 | Y221-I271 HydrophobicContact CD1-CD1 4.35Å; Y221-I271 HydrophobicContact CD2-CG1 4.44Å; Y221-I271 HydrophobicContact CG-CD1 4.04Å; Y221-I271 HydrophobicContact CG-CG1 4.2Å; Y221-I271 WeakPolarHBondContact O-CD1 3.41Å; W224-I271 HydrophobicContact CE3-CD1 3.75Å; W224-I271 HydrophobicContact CZ3-CD1 4.25Å; W224-I271 HydrophobicContact CZ3-CG2 3.95Å; A225-I271 HydrophobicContact CB-CD1 3.87Å; Y237-I271 HydrophobicContact CE1-CG2 4.34Å; Y237-I271 PolarHBondContact OH-O 2.99Å; A241-I271 HydrophobicContact CB-CG2 3.89Å; F267-I271 HydrophobicContact CD1-CB 4.33Å; F267-I271 HydrophobicContact CD2-CB 4.37Å; F267-I271 HydrophobicContact CD2-CG1 3.82Å; F267-I271 HydrophobicContact CE1-CB 4.06Å; F267-I271 HydrophobicContact CE1-CG2 4.09Å; F267-I271 HydrophobicContact CE2-CB 4.15Å; F267-I271 HydrophobicContact CE2-CG1 3.85Å; F267-I271 HydrophobicContact CE2-CG2 4.07Å; F267-I271 HydrophobicContact CG-CB 4.44Å; F267-I271 HydrophobicContact CG-CG1 4.18Å; F267-I271 HydrophobicContact CZ-CB 3.96Å; F267-I271 HydrophobicContact CZ-CG1 4.2Å; F267-I271 HydrophobicContact CZ-CG2 3.66Å; F267-I271 VanDerWaalsContact O-CB 3.23Å; F267-I271 WeakPolarHBondContact O-CB 3.04Å; F267-I271 PolarHBondContact O-N 2.91Å |
| 272 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -111.5 | -61.2 | -172.9 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | F267 Q268 R275 L276 L279 L301 L302 L307 | F267-V272 HydrophobicContact CD1-CG2 4.38Å; F267-V272 HydrophobicContact CE1-CG2 3.92Å; Q268-V272 WeakPolarHBondContact O-CB 3.21Å; Q268-V272 PolarHBondContact O-N 2.86Å; Q268-V272 VanDerWaalsContact OE1-CG2 3.26Å; V272-R275 CarbonylContact O-C 3.6Å; V272-R275 PolarHBondContact O-N 2.95Å; V272-L276 PolarHBondContact O-N 3.15Å; V272-L279 HydrophobicContact CG1-CD1 3.95Å; V272-L301 HydrophobicContact CG1-CG 4.36Å; V272-L301 HydrophobicContact CG2-CD1 3.91Å; V272-L301 HydrophobicContact CG2-CD2 4.2Å; V272-L301 HydrophobicContact CG2-CG 3.75Å; V272-L302 HydrophobicContact CG1-CD2 3.69Å; V272-L307 HydrophobicContact CG1-CD1 4.01Å |
| 273 | E | 96.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 45.6 Ų | 45.6 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -67.6 | -48.2 | -171 | -172.5 | 174.2 | 171.1 | 0 | 0 | 112.4 | Q268 E269 R275 L276 L307 | Q268-E273 WeakPolarHBondContact O-CB 3.2Å; Q268-E273 PolarHBondContact O-N 2.68Å; E269-E273 WeakPolarHBondContact O-CB 3.23Å; E269-E273 PolarHBondContact O-N 3.39Å; E273-R275 PolarHBondContact O-N 2.96Å; E273-R275 VanDerWaalsContact O-N 3.11Å; E273-L276 VanDerWaalsContact O-CB 3.24Å; E273-L276 WeakPolarHBondContact O-CB 3.48Å; E273-L276 PolarHBondContact O-N 3.24Å; E273-L276 VanDerWaalsContact O-N 3.17Å; E273-L307 HydrophobicContact CB-CD1 4Å; E273-L307 HydrophobicContact CG-CD1 4.32Å |
| 274 | Q | 96.5 | Very high | 95 | Very high | 99 Ų | 99 | 55.1 Ų | 55.1 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -67.2 | -11.5 | 176.6 | -66.9 | 179.1 | 21.6 | 0 | 0 | 113.7 | E269 | E269-Q274 WeakPolarHBondContact O-CG 3.39Å; E269-Q274 PolarHBondContact O-N 3.44Å |
| 275 | R | 95.4 | Very high | 94.7 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -114.2 | 14.5 | 178.4 | -59 | -55.7 | -177.5 | -86.1 | -6.5 | 113 | E229 V272 E273 N277 F278 L279 | E229-R275 WeakPolarHBondContact OE2-CD 3.12Å; E229-R275 IonicContact OE2-CZ 3.61Å; E229-R275 IonicContact OE2-NE 2.62Å; E229-R275 PolarHBondContact OE2-NE 3.28Å; V272-R275 CarbonylContact O-C 3.6Å; V272-R275 PolarHBondContact O-N 2.95Å; E273-R275 PolarHBondContact O-N 2.96Å; E273-R275 VanDerWaalsContact O-N 3.11Å; R275-N277 VanDerWaalsContact C-N 3.25Å; R275-N277 PolarHBondContact O-N 3.49Å; R275-F278 WeakPolarHBondContact O-CB 3.4Å; R275-F278 PolarHBondContact O-N 3.21Å; R275-F278 VanDerWaalsContact O-N 3.09Å; R275-L279 WeakPolarHBondContact O-CG 3.34Å; R275-L279 PolarHBondContact O-N 2.97Å |
| 276 | L | 95.2 | Very high | 94.4 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -36.3 | -175.9 | -173.4 | 60.8 | 0 | 0 | 0 | 112.7 | V272 E273 L279 N280 L302 L307 | V272-L276 PolarHBondContact O-N 3.15Å; E273-L276 VanDerWaalsContact O-CB 3.24Å; E273-L276 WeakPolarHBondContact O-CB 3.48Å; E273-L276 PolarHBondContact O-N 3.24Å; E273-L276 VanDerWaalsContact O-N 3.17Å; L276-L279 PolarHBondContact O-N 2.84Å; L276-N280 WeakPolarHBondContact CD1-ND2 3.36Å; L276-N280 WeakPolarHBondContact CG-ND2 3.33Å; L276-N280 WeakPolarHBondContact O-CB 3.46Å; L276-N280 VanDerWaalsContact O-CG 3.24Å; L276-N280 PolarHBondContact O-N 3.4Å; L276-N280 PolarHBondContact O-ND2 3.4Å; L276-L302 HydrophobicContact CD1-CD2 3.81Å; L276-L307 HydrophobicContact CD1-CB 4.15Å; L276-L307 HydrophobicContact CD2-CD2 4.35Å |
| 277 | N | 94.3 | Very high | 94.2 | Very high | 146 Ų | 146 | 55.3 Ų | 55.3 | 78% | 0.781 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 176.6 | -68.8 | -23.7 | 0 | 0 | 0 | 112.2 | R275 N280 M281 | R275-N277 VanDerWaalsContact C-N 3.25Å; R275-N277 PolarHBondContact O-N 3.49Å; N277-N280 PolarHBondContact O-N 2.81Å; N277-M281 PolarHBondContact O-N 2.93Å |
| 278 | F | 95.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 57.9 Ų | 57.9 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 175.7 | 167.9 | -101.8 | 0 | 0 | 0 | 111.3 | E229 C234 Y237 R275 N280 M281 | E229-F278 HydrophobicContact CG-CB 4.5Å; E229-F278 HydrophobicContact CG-CD1 4.24Å; E229-F278 HydrophobicContact CG-CD2 3.94Å; E229-F278 HydrophobicContact CG-CE1 4.45Å; E229-F278 HydrophobicContact CG-CE2 4.16Å; E229-F278 HydrophobicContact CG-CG 3.98Å; E229-F278 HydrophobicContact CG-CZ 4.41Å; C234-F278 HydrophobicContact CB-CE1 4.26Å; C234-F278 HydrophobicContact CB-CZ 4.18Å; Y237-F278 HydrophobicContact CD1-CE1 4.02Å; Y237-F278 HydrophobicContact CD2-CE1 4.03Å; Y237-F278 AromaticContact CG-CE1 3.69Å; Y237-F278 HydrophobicContact CG-CE1 3.69Å; Y237-F278 HydrophobicContact CG-CZ 4.48Å; R275-F278 WeakPolarHBondContact O-CB 3.4Å; R275-F278 PolarHBondContact O-N 3.21Å; R275-F278 VanDerWaalsContact O-N 3.09Å; F278-N280 VanDerWaalsContact C-N 3.27Å; F278-N280 PolarHBondContact O-N 2.82Å; F278-M281 WeakPolarHBondContact O-CB 3.39Å; F278-M281 PolarHBondContact O-N 2.74Å |
| 279 | L | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 177.4 | -67.1 | 174.8 | 0 | 0 | 0 | 112.1 | Y237 V238 V272 R275 L276 L298 L301 L302 | Y237-L279 HydrophobicContact CD1-CD2 3.83Å; Y237-L279 HydrophobicContact CE1-CD2 4.04Å; V238-L279 HydrophobicContact CG2-CD2 3.72Å; V272-L279 HydrophobicContact CG1-CD1 3.95Å; R275-L279 WeakPolarHBondContact O-CG 3.34Å; R275-L279 PolarHBondContact O-N 2.97Å; L276-L279 PolarHBondContact O-N 2.84Å; L279-L298 HydrophobicContact CB-CD1 4.29Å; L279-L298 HydrophobicContact CD2-CD1 4.34Å; L279-L301 HydrophobicContact CD1-CD2 3.98Å; L279-L301 HydrophobicContact CD2-CD2 4.01Å; L279-L302 HydrophobicContact CD1-CD2 4.13Å |
| 280 | N | 93.5 | Very high | 93.2 | Very high | 30 Ų | 30 | 62.4 Ų | 62.4 | 16% | 0.16 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -83.5 | -17 | -178.1 | -75.2 | -21 | 0 | 0 | 0 | 114.7 | L276 N277 F278 N282 V283 E310 | L276-N280 WeakPolarHBondContact CD1-ND2 3.36Å; L276-N280 WeakPolarHBondContact CG-ND2 3.33Å; L276-N280 WeakPolarHBondContact O-CB 3.46Å; L276-N280 VanDerWaalsContact O-CG 3.24Å; L276-N280 PolarHBondContact O-N 3.4Å; L276-N280 PolarHBondContact O-ND2 3.4Å; N277-N280 PolarHBondContact O-N 2.81Å; F278-N280 VanDerWaalsContact C-N 3.27Å; F278-N280 PolarHBondContact O-N 2.82Å; N280-N282 VanDerWaalsContact C-N 3.26Å; N280-N282 PolarHBondContact O-N 3.03Å; N280-N282 VanDerWaalsContact O-N 3.12Å; N280-V283 WeakPolarHBondContact O-CB 3.42Å; N280-V283 PolarHBondContact O-N 3.13Å; N280-V283 VanDerWaalsContact O-N 3.13Å; N280-E310 HydrophobicContact CB-CB 4.24Å; N280-E310 HydrophobicContact CB-CG 4.08Å |
| 281 | M | 90.1 | Very high | 93 | Very high | 129 Ų | 129 | 65.2 Ų | 65.2 | 64% | 0.635 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -39.7 | -171.6 | -173.5 | 176.2 | 70.3 | 0 | 0 | 113.6 | N277 F278 | N277-M281 PolarHBondContact O-N 2.93Å; F278-M281 WeakPolarHBondContact O-CB 3.39Å; F278-M281 PolarHBondContact O-N 2.74Å |
| 282 | N | 87.3 | Confident | 92.8 | Very high | 69 Ų | 69 | 69.4 Ų | 69.4 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 1.8 | -176 | -65.7 | -26.6 | 0 | 0 | 0 | 113.7 | N280 R284 Y285 V286 | N280-N282 VanDerWaalsContact C-N 3.26Å; N280-N282 PolarHBondContact O-N 3.03Å; N280-N282 VanDerWaalsContact O-N 3.12Å; N282-R284 VanDerWaalsContact C-N 3.26Å; N282-R284 PolarHBondContact O-N 3.17Å; N282-Y285 PolarHBondContact O-N 2.92Å; N282-V286 HydrophobicContact CB-CG2 4.34Å; N282-V286 WeakPolarHBondContact O-CG2 3.44Å; N282-V286 PolarHBondContact O-N 3.04Å |
| 283 | V | 91.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.5 | -42.1 | -173.7 | 166 | 0 | 0 | 0 | 0 | 112.1 | N280 Y285 V286 I287 L298 E310 L311 C314 | N280-V283 WeakPolarHBondContact O-CB 3.42Å; N280-V283 PolarHBondContact O-N 3.13Å; N280-V283 VanDerWaalsContact O-N 3.13Å; V283-Y285 VanDerWaalsContact C-N 3.32Å; V283-Y285 PolarHBondContact O-N 3.19Å; V283-V286 PolarHBondContact O-N 3.29Å; V283-I287 HydrophobicContact CG1-CD1 3.82Å; V283-I287 HydrophobicContact CG1-CG1 4.34Å; V283-I287 WeakPolarHBondContact O-CG1 3.24Å; V283-I287 PolarHBondContact O-N 3.33Å; V283-L298 HydrophobicContact CG2-CD2 3.61Å; V283-E310 HydrophobicContact CG1-CG 4.49Å; V283-L311 HydrophobicContact CG1-CB 4.48Å; V283-L311 HydrophobicContact CG1-CD1 3.89Å; V283-C314 HydrophobicContact CG1-CB 4.01Å |
| 284 | R | 91.3 | Very high | 92.5 | Very high | 203 Ų | 203 | 70.6 Ų | 70.6 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.7 | -43.1 | 178.4 | -173.6 | 177.4 | 179.6 | -177.1 | 0.4 | 112.7 | N282 A288 | N282-R284 VanDerWaalsContact C-N 3.26Å; N282-R284 PolarHBondContact O-N 3.17Å; R284-A288 WeakPolarHBondContact O-CB 3.27Å; R284-A288 PolarHBondContact O-N 3.24Å |
| 285 | Y | 89.8 | Confident | 92.4 | Very high | 145 Ų | 145 | 65.9 Ų | 65.9 | 57% | 0.569 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -70.8 | -46.6 | 179.6 | 177.4 | -102.2 | 0 | 0 | 0 | 111.1 | N282 V283 I287 A288 E289 | N282-Y285 PolarHBondContact O-N 2.92Å; V283-Y285 VanDerWaalsContact C-N 3.32Å; V283-Y285 PolarHBondContact O-N 3.19Å; Y285-I287 VanDerWaalsContact C-N 3.29Å; Y285-I287 PolarHBondContact O-N 3.4Å; Y285-A288 PolarHBondContact O-N 3.33Å; Y285-A288 VanDerWaalsContact O-N 3.08Å; Y285-E289 HydrophobicContact CD1-CG 4.33Å; Y285-E289 HydrophobicContact CD2-CG 4.28Å; Y285-E289 HydrophobicContact CE1-CG 3.8Å; Y285-E289 HydrophobicContact CE2-CG 3.7Å; Y285-E289 VanDerWaalsContact CE2-OE1 3.28Å; Y285-E289 WeakPolarHBondContact CE2-OE1 3.38Å; Y285-E289 VanDerWaalsContact CZ-CG 3.43Å; Y285-E289 PolarHBondContact O-N 2.91Å; Y285-E289 PolarHBondContact OH-OE1 2.74Å |
| 286 | V | 90.5 | Very high | 92.4 | Very high | 32 Ų | 32 | 66.4 Ų | 66.4 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -36.2 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | N282 V283 E290 D291 N294 L295 | N282-V286 HydrophobicContact CB-CG2 4.34Å; N282-V286 WeakPolarHBondContact O-CG2 3.44Å; N282-V286 PolarHBondContact O-N 3.04Å; V283-V286 PolarHBondContact O-N 3.29Å; V286-E290 PolarHBondContact O-N 3.47Å; V286-D291 HydrophobicContact CG1-CB 4.06Å; V286-D291 PolarHBondContact O-N 3.29Å; V286-N294 HydrophobicContact CG1-CB 4.25Å; V286-L295 HydrophobicContact CB-CD2 4.07Å; V286-L295 HydrophobicContact CG1-CD1 4.29Å; V286-L295 HydrophobicContact CG1-CD2 3.57Å; V286-L295 HydrophobicContact CG1-CG 3.6Å |
| 287 | I | 92.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.9 | -42.6 | 173 | -67.7 | 179 | 0 | 0 | 0 | 111.6 | V283 Y285 E289 E290 L295 L311 C314 F315 H318 | V283-I287 HydrophobicContact CG1-CD1 3.82Å; V283-I287 HydrophobicContact CG1-CG1 4.34Å; V283-I287 WeakPolarHBondContact O-CG1 3.24Å; V283-I287 PolarHBondContact O-N 3.33Å; Y285-I287 VanDerWaalsContact C-N 3.29Å; Y285-I287 PolarHBondContact O-N 3.4Å; I287-E289 VanDerWaalsContact C-N 3.31Å; I287-E289 PolarHBondContact O-N 3.38Å; I287-E290 PolarHBondContact O-N 3.17Å; I287-L295 HydrophobicContact CG1-CD1 4.17Å; I287-L295 HydrophobicContact CG1-CD2 3.75Å; I287-L311 HydrophobicContact CD1-CD1 3.85Å; I287-L311 WeakPolarHBondContact CD1-O 3.3Å; I287-L311 HydrophobicContact CG1-CD1 4.26Å; I287-C314 HydrophobicContact CD1-CB 3.46Å; I287-C314 VanDerWaalsContact CD1-CB 3.46Å; I287-F315 HydrophobicContact CD1-CB 4.13Å; I287-H318 HydrophobicContact CG2-CB 3.57Å |
| 288 | A | 90.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 49% | 0.488 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -35.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R284 Y285 E290 | R284-A288 WeakPolarHBondContact O-CB 3.27Å; R284-A288 PolarHBondContact O-N 3.24Å; Y285-A288 PolarHBondContact O-N 3.33Å; Y285-A288 VanDerWaalsContact O-N 3.08Å; A288-E290 PolarHBondContact O-N 3.46Å |
| 289 | E | 91.6 | Very high | 92.6 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -4.9 | 173.5 | -64.6 | -69.8 | 161.7 | 0 | 0 | 113.4 | Y285 I287 D291 | Y285-E289 HydrophobicContact CD1-CG 4.33Å; Y285-E289 HydrophobicContact CD2-CG 4.28Å; Y285-E289 HydrophobicContact CE1-CG 3.8Å; Y285-E289 HydrophobicContact CE2-CG 3.7Å; Y285-E289 VanDerWaalsContact CE2-OE1 3.28Å; Y285-E289 WeakPolarHBondContact CE2-OE1 3.38Å; Y285-E289 VanDerWaalsContact CZ-CG 3.43Å; Y285-E289 PolarHBondContact O-N 2.91Å; Y285-E289 PolarHBondContact OH-OE1 2.74Å; I287-E289 VanDerWaalsContact C-N 3.31Å; I287-E289 PolarHBondContact O-N 3.38Å; E289-D291 VanDerWaalsContact C-N 3.26Å; E289-D291 PolarHBondContact O-N 3.11Å |
| 290 | E | 90.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 35.5 | -178.5 | -61.7 | -169.4 | 171 | 0 | 0 | 114.5 | V286 I287 A288 K292 H318 R351 Y355 | V286-E290 PolarHBondContact O-N 3.47Å; I287-E290 PolarHBondContact O-N 3.17Å; A288-E290 PolarHBondContact O-N 3.46Å; E290-K292 VanDerWaalsContact C-N 3.34Å; E290-K292 PolarHBondContact O-N 3.06Å; E290-H318 IonicContact OE1-CD2 2.9Å; E290-H318 IonicContact OE1-CE1 3.71Å; E290-H318 IonicContact OE1-NE2 2.77Å; E290-H318 PolarHBondContact OE1-NE2 2.67Å; E290-R351 IonicContact OE1-CZ 2.76Å; E290-R351 IonicContact OE1-NH2 3Å; E290-Y355 HydrophobicContact CB-CE2 4.11Å; E290-Y355 HydrophobicContact CG-CE2 4.33Å |
| 291 | D | 91.9 | Very high | 92.8 | Very high | 60 Ų | 60 | 62 Ų | 62 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | trans | -71.6 | 86 | 177.5 | -176.2 | -11.1 | 0 | 0 | 0 | 111.5 | V286 E289 S293 N294 L295 | V286-D291 HydrophobicContact CG1-CB 4.06Å; V286-D291 PolarHBondContact O-N 3.29Å; E289-D291 VanDerWaalsContact C-N 3.26Å; E289-D291 PolarHBondContact O-N 3.11Å; D291-S293 VanDerWaalsContact C-N 3.27Å; D291-S293 PolarHBondContact O-N 3.24Å; D291-S293 PolarHBondContact OD1-N 3.3Å; D291-N294 PolarHBondContact O-N 2.92Å; D291-N294 PolarHBondContact OD1-N 3.4Å; D291-N294 PolarHBondContact OD2-ND2 2.83Å; D291-L295 WeakPolarHBondContact O-CB 3.36Å; D291-L295 VanDerWaalsContact O-CG 3.27Å; D291-L295 WeakPolarHBondContact O-CG 3.26Å; D291-L295 PolarHBondContact O-N 3.08Å; D291-L295 VanDerWaalsContact O-N 3.08Å | ||
| 292 | K | 93.1 | Very high | 93 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.6 | -38.4 | -176.6 | -67.7 | -170.3 | 174.8 | -171.6 | 0 | 113.3 | E290 R296 Y355 D358 V359 | E290-K292 VanDerWaalsContact C-N 3.34Å; E290-K292 PolarHBondContact O-N 3.06Å; K292-R296 WeakPolarHBondContact O-CB 3.47Å; K292-R296 PolarHBondContact O-N 3.18Å; K292-Y355 HydrophobicContact CG-CD2 4.37Å; K292-Y355 HydrophobicContact CG-CE2 3.99Å; K292-D358 IonicContact NZ-OD2 2.69Å; K292-D358 PolarHBondContact NZ-OD2 3.41Å; K292-V359 HydrophobicContact CB-CG2 3.91Å; K292-V359 HydrophobicContact CD-CG2 4.34Å; K292-V359 HydrophobicContact CG-CG2 3.82Å |
| 293 | S | 93 | Very high | 93.4 | Very high | 76 Ų | 76 | 53.8 Ų | 53.8 | 53% | 0.531 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.5 | -51.1 | -174.2 | -179.7 | 0 | 0 | 0 | 0 | 111 | D291 L295 R296 N297 | D291-S293 VanDerWaalsContact C-N 3.27Å; D291-S293 PolarHBondContact O-N 3.24Å; D291-S293 PolarHBondContact OD1-N 3.3Å; S293-L295 PolarHBondContact O-N 2.76Å; S293-R296 PolarHBondContact O-N 3.23Å; S293-N297 PolarHBondContact O-N 3.17Å; S293-N297 VanDerWaalsContact O-N 3.1Å |
| 294 | N | 92.9 | Very high | 93.4 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.7 | -38 | -179.9 | -76.4 | -30.2 | 0 | 0 | 0 | 111.8 | V286 D291 N297 L298 | V286-N294 HydrophobicContact CG1-CB 4.25Å; D291-N294 PolarHBondContact O-N 2.92Å; D291-N294 PolarHBondContact OD1-N 3.4Å; D291-N294 PolarHBondContact OD2-ND2 2.83Å; N294-N297 PolarHBondContact O-N 3.36Å; N294-L298 WeakPolarHBondContact O-CB 3.21Å; N294-L298 PolarHBondContact O-N 3.11Å |
| 295 | L | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 175.3 | -67.9 | 169.5 | 0 | 0 | 0 | 112.5 | V286 I287 D291 S293 N297 L298 F299 L311 Y355 V359 | V286-L295 HydrophobicContact CB-CD2 4.07Å; V286-L295 HydrophobicContact CG1-CD1 4.29Å; V286-L295 HydrophobicContact CG1-CD2 3.57Å; V286-L295 HydrophobicContact CG1-CG 3.6Å; I287-L295 HydrophobicContact CG1-CD1 4.17Å; I287-L295 HydrophobicContact CG1-CD2 3.75Å; D291-L295 WeakPolarHBondContact O-CB 3.36Å; D291-L295 VanDerWaalsContact O-CG 3.27Å; D291-L295 WeakPolarHBondContact O-CG 3.26Å; D291-L295 PolarHBondContact O-N 3.08Å; D291-L295 VanDerWaalsContact O-N 3.08Å; S293-L295 PolarHBondContact O-N 2.76Å; L295-N297 VanDerWaalsContact C-N 3.34Å; L295-L298 PolarHBondContact O-N 3.2Å; L295-F299 WeakPolarHBondContact O-CB 3.47Å; L295-F299 PolarHBondContact O-N 3.07Å; L295-L311 HydrophobicContact CD2-CD1 3.87Å; L295-Y355 WeakPolarHBondContact CD1-OH 3.4Å; L295-V359 HydrophobicContact CB-CG1 3.5Å |
| 296 | R | 95.7 | Very high | 93.4 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 21% | 0.211 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.6 | -177.9 | 61.8 | -176.2 | -99.9 | -1.9 | 110.9 | K292 S293 F299 R300 D358 V359 D361 | K292-R296 WeakPolarHBondContact O-CB 3.47Å; K292-R296 PolarHBondContact O-N 3.18Å; S293-R296 PolarHBondContact O-N 3.23Å; R296-F299 PolarHBondContact O-N 3.45Å; R296-R300 WeakPolarHBondContact O-CG 3.04Å; R296-R300 PolarHBondContact O-N 2.73Å; R296-D358 PolarHBondContact NH1-O 2.91Å; R296-V359 HydrophobicContact CB-CG1 4.48Å; R296-V359 WeakPolarHBondContact CD-O 3.3Å; R296-D361 IonicContact CZ-OD1 2.86Å; R296-D361 IonicContact CZ-OD2 3.73Å; R296-D361 IonicContact NE-OD1 3Å; R296-D361 IonicContact NE-OD2 3.26Å; R296-D361 IonicContact NH1-OD1 2.83Å; R296-D361 PolarHBondContact NH1-OD1 2.92Å; R296-D361 IonicContact NH2-OD1 3.99Å; R296-D361 PolarHBondContact NH2-OD1 3.47Å; R296-D361 IonicContact NH2-OD2 3.26Å; R296-D361 PolarHBondContact NH2-OD2 3.46Å |
| 297 | N | 95.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 176.6 | -73.5 | -14.4 | 0 | 0 | 0 | 111.5 | V238 L242 S293 N294 L295 F299 R300 L301 | V238-N297 VanDerWaalsContact CG1-C 3.47Å; V238-N297 HydrophobicContact CG1-CB 3.78Å; L242-N297 HydrophobicContact CD1-CB 3.81Å; S293-N297 PolarHBondContact O-N 3.17Å; S293-N297 VanDerWaalsContact O-N 3.1Å; N294-N297 PolarHBondContact O-N 3.36Å; L295-N297 VanDerWaalsContact C-N 3.34Å; N297-F299 VanDerWaalsContact C-N 3.34Å; N297-F299 PolarHBondContact O-N 3.17Å; N297-R300 PolarHBondContact O-N 3.04Å; N297-L301 PolarHBondContact O-N 3.2Å |
| 298 | L | 96 | Very high | 93.6 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 177.4 | 179.6 | 61.2 | 0 | 0 | 0 | 111.4 | V238 L279 V283 N294 L295 L301 L302 L311 | V238-L298 HydrophobicContact CG2-CD1 3.91Å; L279-L298 HydrophobicContact CB-CD1 4.29Å; L279-L298 HydrophobicContact CD2-CD1 4.34Å; V283-L298 HydrophobicContact CG2-CD2 3.61Å; N294-L298 WeakPolarHBondContact O-CB 3.21Å; N294-L298 PolarHBondContact O-N 3.11Å; L295-L298 PolarHBondContact O-N 3.2Å; L298-L301 WeakPolarHBondContact O-CB 3.24Å; L298-L301 PolarHBondContact O-N 3.43Å; L298-L301 VanDerWaalsContact O-N 3.15Å; L298-L302 HydrophobicContact CD1-CD1 3.86Å; L298-L302 HydrophobicContact CD1-CG 4.09Å; L298-L302 HydrophobicContact CG-CD1 3.87Å; L298-L302 HydrophobicContact CG-CG 4.43Å; L298-L302 WeakPolarHBondContact O-CG 3.27Å; L298-L302 PolarHBondContact O-N 3.45Å; L298-L311 HydrophobicContact CD2-CD1 4.48Å |
| 299 | F | 96.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176 | 172.3 | -104.9 | 0 | 0 | 0 | 112.2 | L295 R296 N297 L301 L302 S303 L311 V359 F360 D361 K363 F366 | L295-F299 WeakPolarHBondContact O-CB 3.47Å; L295-F299 PolarHBondContact O-N 3.07Å; R296-F299 PolarHBondContact O-N 3.45Å; N297-F299 VanDerWaalsContact C-N 3.34Å; N297-F299 PolarHBondContact O-N 3.17Å; F299-L301 PolarHBondContact O-N 3.22Å; F299-L302 PolarHBondContact O-N 3.29Å; F299-S303 WeakPolarHBondContact O-CA 3.39Å; F299-S303 WeakPolarHBondContact O-CB 3.4Å; F299-S303 PolarHBondContact O-N 3.21Å; F299-S303 PolarHBondContact O-OG 2.98Å; F299-L311 HydrophobicContact CB-CD2 4.14Å; F299-L311 HydrophobicContact CD2-CD2 4.14Å; F299-V359 WeakPolarHBondContact CD1-O 3.5Å; F299-F360 HydrophobicContact CB-CD1 4.08Å; F299-F360 HydrophobicContact CB-CE1 4.41Å; F299-F360 AromaticContact CD2-CD1 3.72Å; F299-F360 HydrophobicContact CD2-CD1 3.72Å; F299-F360 HydrophobicContact CE2-CB 4.23Å; F299-F360 HydrophobicContact CE2-CD1 4.22Å; F299-F360 AromaticContact CG-CD1 3.86Å; F299-F360 HydrophobicContact CG-CD1 3.86Å; F299-F360 HydrophobicContact CZ-CB 4.21Å; F299-F360 VanDerWaalsContact CZ-O 3.27Å; F299-F360 WeakPolarHBondContact CZ-O 3.24Å; F299-D361 HydrophobicContact CE1-CB 4.14Å; F299-D361 WeakPolarHBondContact CE1-OD2 3.34Å; F299-K363 HydrophobicContact CE2-CD 3.73Å; F299-K363 HydrophobicContact CE2-CG 4.5Å; F299-K363 HydrophobicContact CZ-CD 3.46Å; F299-K363 VanDerWaalsContact CZ-CD 3.46Å; F299-K363 HydrophobicContact CZ-CG 3.9Å; F299-F366 HydrophobicContact CD2-CE2 4.26Å; F299-F366 HydrophobicContact CD2-CZ 4.48Å; F299-F366 AromaticContact CE2-CE2 3.84Å; F299-F366 HydrophobicContact CE2-CE2 3.84Å; F299-F366 HydrophobicContact CE2-CZ 4.49Å |
| 300 | R | 96.2 | Very high | 93.8 | Very high | 110 Ų | 110 | 50.6 Ų | 50.6 | 42% | 0.415 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.4 | -36.9 | 174.6 | -76.8 | 176.9 | -179.6 | 159.3 | 2.4 | 111.8 | L242 R245 R296 N297 S303 | L242-R300 HydrophobicContact CD1-CB 4.45Å; L242-R300 HydrophobicContact CD2-CB 4.14Å; R245-R300 PolarHBondContact NH1-O 2.93Å; R296-R300 WeakPolarHBondContact O-CG 3.04Å; R296-R300 PolarHBondContact O-N 2.73Å; N297-R300 PolarHBondContact O-N 3.04Å; R300-S303 PolarHBondContact O-OG 2.98Å |
| 301 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.9 | -48.1 | 176.4 | -165.7 | 75.1 | 0 | 0 | 0 | 111.9 | V238 A241 L242 R245 F267 V272 L279 N297 L298 F299 P304 | V238-L301 HydrophobicContact CB-CD2 4.43Å; V238-L301 HydrophobicContact CG1-CB 4.3Å; V238-L301 HydrophobicContact CG1-CD2 4.28Å; V238-L301 HydrophobicContact CG2-CD2 3.98Å; A241-L301 HydrophobicContact CB-CD1 3.81Å; A241-L301 HydrophobicContact CB-CD2 4.42Å; L242-L301 HydrophobicContact CD2-CB 4.36Å; L242-L301 HydrophobicContact CD2-CD1 4.1Å; L242-L301 HydrophobicContact CG-CD1 4.36Å; R245-L301 PolarHBondContact NH2-O 3.39Å; F267-L301 HydrophobicContact CE1-CD1 4.13Å; F267-L301 HydrophobicContact CZ-CD1 4.36Å; V272-L301 HydrophobicContact CG1-CG 4.36Å; V272-L301 HydrophobicContact CG2-CD1 3.91Å; V272-L301 HydrophobicContact CG2-CD2 4.2Å; V272-L301 HydrophobicContact CG2-CG 3.75Å; L279-L301 HydrophobicContact CD1-CD2 3.98Å; L279-L301 HydrophobicContact CD2-CD2 4.01Å; N297-L301 PolarHBondContact O-N 3.2Å; L298-L301 WeakPolarHBondContact O-CB 3.24Å; L298-L301 PolarHBondContact O-N 3.43Å; L298-L301 VanDerWaalsContact O-N 3.15Å; F299-L301 PolarHBondContact O-N 3.22Å; L301-P304 WeakPolarHBondContact O-CD 3.35Å |
| 302 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -80.4 | -25.6 | -174.4 | -63.4 | 175.2 | 0 | 0 | 0 | 114.7 | V272 L276 L279 L298 F299 P304 L307 | V272-L302 HydrophobicContact CG1-CD2 3.69Å; L276-L302 HydrophobicContact CD1-CD2 3.81Å; L279-L302 HydrophobicContact CD1-CD2 4.13Å; L298-L302 HydrophobicContact CD1-CD1 3.86Å; L298-L302 HydrophobicContact CD1-CG 4.09Å; L298-L302 HydrophobicContact CG-CD1 3.87Å; L298-L302 HydrophobicContact CG-CG 4.43Å; L298-L302 WeakPolarHBondContact O-CG 3.27Å; L298-L302 PolarHBondContact O-N 3.45Å; F299-L302 PolarHBondContact O-N 3.29Å; L302-P304 VanDerWaalsContact C-CD 3.42Å; L302-L307 HydrophobicContact CB-CB 4.39Å; L302-L307 HydrophobicContact CD2-CB 4.03Å; L302-L307 PolarHBondContact O-N 3.27Å |
| 303 | S | 94.2 | Very high | 94.4 | Very high | 27 Ų | 27 | 47 Ų | 47 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -57.6 | -36.3 | -170.2 | 61.7 | 0 | 0 | 0 | 0 | 116.7 | F299 R300 N305 N306 | F299-S303 WeakPolarHBondContact O-CA 3.39Å; F299-S303 WeakPolarHBondContact O-CB 3.4Å; F299-S303 PolarHBondContact O-N 3.21Å; F299-S303 PolarHBondContact O-OG 2.98Å; R300-S303 PolarHBondContact O-OG 2.98Å; S303-N305 PolarHBondContact O-N 2.87Å; S303-N306 PolarHBondContact O-N 3.41Å |
| 304 | P | 91.8 | Very high | 94.5 | Very high | 77 Ų | 77 | 44 Ų | 44 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -68.7 | -29.7 | -173.8 | -19.2 | 32.4 | 0 | 0 | 0 | 114.2 | L301 L302 | L301-P304 WeakPolarHBondContact O-CD 3.35Å; L302-P304 VanDerWaalsContact C-CD 3.42Å |
| 305 | N | 90.1 | Very high | 94.7 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -103 | 10.5 | 179 | -70.7 | 45.5 | 0 | 0 | 0 | 112.5 | Q268 S303 L307 | Q268-N305 WeakPolarHBondContact CB-OD1 3.41Å; Q268-N305 VanDerWaalsContact CG-OD1 3.27Å; Q268-N305 WeakPolarHBondContact CG-OD1 3.32Å; Q268-N305 PolarHBondContact NE2-OD1 3.28Å; S303-N305 PolarHBondContact O-N 2.87Å; N305-L307 HydrophobicContact CB-CD1 3.94Å; N305-L307 HydrophobicContact CB-CG 3.77Å; N305-L307 PolarHBondContact O-N 3.5Å |
| 306 | N | 91 | Very high | 94.8 | Very high | 119 Ų | 119 | 41.8 Ų | 41.8 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 31.8 | -174.6 | -63.9 | -47.6 | 0 | 0 | 0 | 114.3 | S303 C308 | S303-N306 PolarHBondContact O-N 3.41Å; N306-C308 PolarHBondContact O-N 3.39Å |
| 307 | L | 93.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | trans | -79.7 | 27.4 | -179.4 | -61.3 | 174.8 | 0 | 0 | 0 | 113.2 | V272 E273 L276 L302 N305 N309 | V272-L307 HydrophobicContact CG1-CD1 4.01Å; E273-L307 HydrophobicContact CB-CD1 4Å; E273-L307 HydrophobicContact CG-CD1 4.32Å; L276-L307 HydrophobicContact CD1-CB 4.15Å; L276-L307 HydrophobicContact CD2-CD2 4.35Å; L302-L307 HydrophobicContact CB-CB 4.39Å; L302-L307 HydrophobicContact CD2-CB 4.03Å; L302-L307 PolarHBondContact O-N 3.27Å; N305-L307 HydrophobicContact CB-CD1 3.94Å; N305-L307 HydrophobicContact CB-CG 3.77Å; N305-L307 PolarHBondContact O-N 3.5Å; L307-N309 VanDerWaalsContact C-N 3.33Å; L307-N309 PolarHBondContact O-N 2.94Å | ||
| 308 | C | 93.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 8% | 0.081 | 22% | 0.219 | C | C | . | . | trans | -91.6 | 17 | -173.5 | -60.9 | 0 | 0 | 0 | 0 | 113.4 | N306 E310 L311 L312 F366 | N306-C308 PolarHBondContact O-N 3.39Å; C308-E310 PolarHBondContact O-N 3.33Å; C308-L311 HydrophobicContact CB-CB 4.47Å; C308-L311 PolarHBondContact O-N 3.1Å; C308-L312 VanDerWaalsContact O-CB 3.25Å; C308-L312 WeakPolarHBondContact O-CB 3.47Å; C308-L312 PolarHBondContact O-N 3.41Å; C308-F366 HydrophobicContact CB-CE2 4.48Å; C308-F366 HydrophobicContact CB-CZ 4.24Å | ||
| 309 | N | 94.4 | Very high | 94.9 | Very high | 124 Ų | 124 | 42 Ų | 42 | 66% | 0.663 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61.6 | -46.8 | -172.4 | -68.8 | -31.3 | 0 | 0 | 0 | 112.8 | L307 L312 H313 | L307-N309 VanDerWaalsContact C-N 3.33Å; L307-N309 PolarHBondContact O-N 2.94Å; N309-L312 PolarHBondContact O-N 3.24Å; N309-H313 WeakPolarHBondContact O-CB 3.24Å; N309-H313 PolarHBondContact O-N 3.45Å |
| 310 | E | 93.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.1 | -39.7 | 178.6 | -169.2 | 56.6 | -133.4 | 0 | 0 | 111.5 | N280 V283 C308 L312 H313 C314 | N280-E310 HydrophobicContact CB-CB 4.24Å; N280-E310 HydrophobicContact CB-CG 4.08Å; V283-E310 HydrophobicContact CG1-CG 4.49Å; C308-E310 PolarHBondContact O-N 3.33Å; E310-L312 VanDerWaalsContact C-N 3.32Å; E310-L312 PolarHBondContact O-N 2.79Å; E310-H313 PolarHBondContact O-N 2.78Å; E310-H313 IonicContact OE1-ND1 2.58Å; E310-H313 PolarHBondContact OE1-ND1 3.11Å; E310-C314 WeakPolarHBondContact O-CB 3.39Å; E310-C314 PolarHBondContact O-N 3.25Å; E310-C314 PolarHBondContact OE1-SG 3.18Å |
| 311 | L | 94.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 174.9 | -168.6 | 67.5 | 0 | 0 | 0 | 111.1 | V283 I287 L295 L298 F299 C308 F315 F360 F366 | V283-L311 HydrophobicContact CG1-CB 4.48Å; V283-L311 HydrophobicContact CG1-CD1 3.89Å; I287-L311 HydrophobicContact CD1-CD1 3.85Å; I287-L311 WeakPolarHBondContact CD1-O 3.3Å; I287-L311 HydrophobicContact CG1-CD1 4.26Å; L295-L311 HydrophobicContact CD2-CD1 3.87Å; L298-L311 HydrophobicContact CD2-CD1 4.48Å; F299-L311 HydrophobicContact CB-CD2 4.14Å; F299-L311 HydrophobicContact CD2-CD2 4.14Å; C308-L311 HydrophobicContact CB-CB 4.47Å; C308-L311 PolarHBondContact O-N 3.1Å; L311-F315 WeakPolarHBondContact O-CB 3.16Å; L311-F315 PolarHBondContact O-N 3.2Å; L311-F360 HydrophobicContact CD1-CE1 4.24Å; L311-F360 HydrophobicContact CD1-CZ 4.47Å; L311-F360 HydrophobicContact CD2-CD1 4.14Å; L311-F360 HydrophobicContact CD2-CE1 3.53Å; L311-F360 HydrophobicContact CD2-CZ 4.39Å; L311-F360 HydrophobicContact CG-CE1 3.9Å; L311-F360 HydrophobicContact CG-CZ 4.27Å; L311-F366 HydrophobicContact CB-CZ 4.43Å; L311-F366 HydrophobicContact CD2-CE1 4.35Å; L311-F366 HydrophobicContact CD2-CZ 3.89Å; L311-F366 HydrophobicContact CG-CE1 4.09Å; L311-F366 HydrophobicContact CG-CZ 4.05Å |
| 312 | L | 96 | Very high | 94.6 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 20% | 0.199 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 176.9 | -169.2 | 73.6 | 0 | 0 | 0 | 111.3 | C308 N309 E310 G316 A365 F366 Q369 | C308-L312 VanDerWaalsContact O-CB 3.25Å; C308-L312 WeakPolarHBondContact O-CB 3.47Å; C308-L312 PolarHBondContact O-N 3.41Å; N309-L312 PolarHBondContact O-N 3.24Å; E310-L312 VanDerWaalsContact C-N 3.32Å; E310-L312 PolarHBondContact O-N 2.79Å; L312-G316 PolarHBondContact O-N 3.16Å; L312-A365 HydrophobicContact CD1-CB 4.21Å; L312-A365 WeakPolarHBondContact CD1-O 3.45Å; L312-F366 HydrophobicContact CB-CE1 4.41Å; L312-F366 HydrophobicContact CD1-CB 4.42Å; L312-F366 HydrophobicContact CD1-CD1 3.77Å; L312-F366 HydrophobicContact CD1-CD2 4.16Å; L312-F366 HydrophobicContact CD1-CE1 3.94Å; L312-F366 HydrophobicContact CD1-CE2 4.3Å; L312-F366 HydrophobicContact CD1-CG 3.87Å; L312-F366 HydrophobicContact CD1-CZ 4.19Å; L312-Q369 HydrophobicContact CD1-CB 3.64Å; L312-Q369 HydrophobicContact CD1-CG 4.02Å; L312-Q369 HydrophobicContact CG-CB 4Å; L312-Q369 HydrophobicContact CG-CG 3.92Å; L312-Q369 WeakPolarHBondContact O-CG 3.45Å; L312-Q369 PolarHBondContact O-NE2 2.85Å; L312-Q369 VanDerWaalsContact O-NE2 3.07Å |
| 313 | H | 95.9 | Very high | 94.5 | Very high | 97 Ų | 97 | 44.2 Ų | 44.2 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -55.5 | 177.8 | 173.3 | -104.6 | 0 | 0 | 0 | 111.6 | N309 E310 F315 G316 E317 | N309-H313 WeakPolarHBondContact O-CB 3.24Å; N309-H313 PolarHBondContact O-N 3.45Å; E310-H313 PolarHBondContact O-N 2.78Å; E310-H313 IonicContact OE1-ND1 2.58Å; E310-H313 PolarHBondContact OE1-ND1 3.11Å; H313-F315 VanDerWaalsContact C-N 3.33Å; H313-F315 PolarHBondContact O-N 2.95Å; H313-G316 PolarHBondContact O-N 3.48Å; H313-G316 VanDerWaalsContact O-N 3.15Å; H313-E317 PolarHBondContact O-N 3.31Å |
| 314 | C | 95.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -38 | 179.4 | -75.3 | 0 | 0 | 0 | 0 | 112.5 | V283 I287 E310 E317 H318 | V283-C314 HydrophobicContact CG1-CB 4.01Å; I287-C314 HydrophobicContact CD1-CB 3.46Å; I287-C314 VanDerWaalsContact CD1-CB 3.46Å; E310-C314 WeakPolarHBondContact O-CB 3.39Å; E310-C314 PolarHBondContact O-N 3.25Å; E310-C314 PolarHBondContact OE1-SG 3.18Å; C314-E317 PolarHBondContact O-N 3.33Å; C314-H318 WeakPolarHBondContact O-CB 3.17Å; C314-H318 PolarHBondContact O-N 3.38Å |
| 315 | F | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 173.4 | 173.2 | -105 | 0 | 0 | 0 | 111.9 | I287 L311 H313 E317 H318 V319 F352 Y355 I356 F360 F366 M370 | I287-F315 HydrophobicContact CD1-CB 4.13Å; L311-F315 WeakPolarHBondContact O-CB 3.16Å; L311-F315 PolarHBondContact O-N 3.2Å; H313-F315 VanDerWaalsContact C-N 3.33Å; H313-F315 PolarHBondContact O-N 2.95Å; F315-E317 VanDerWaalsContact C-N 3.3Å; F315-E317 PolarHBondContact O-N 3.23Å; F315-H318 PolarHBondContact O-N 3.33Å; F315-V319 HydrophobicContact CD1-CG2 4.34Å; F315-V319 HydrophobicContact CD2-CG2 4.26Å; F315-V319 HydrophobicContact CE1-CG2 3.89Å; F315-V319 HydrophobicContact CE2-CG2 3.78Å; F315-V319 HydrophobicContact CZ-CG2 3.58Å; F315-V319 WeakPolarHBondContact O-CG2 3.48Å; F315-V319 PolarHBondContact O-N 3.04Å; F315-F352 HydrophobicContact CE2-CD1 4.01Å; F315-F352 HydrophobicContact CE2-CE1 4.46Å; F315-F352 HydrophobicContact CZ-CD1 4.31Å; F315-Y355 HydrophobicContact CD2-CD1 4.43Å; F315-Y355 HydrophobicContact CD2-CE1 4.21Å; F315-Y355 AromaticContact CE2-CD1 3.81Å; F315-Y355 HydrophobicContact CE2-CD1 3.81Å; F315-Y355 HydrophobicContact CE2-CE1 4.04Å; F315-I356 HydrophobicContact CE1-CD1 3.99Å; F315-I356 HydrophobicContact CE1-CG1 4.08Å; F315-I356 HydrophobicContact CE2-CG1 4.39Å; F315-I356 HydrophobicContact CZ-CD1 3.76Å; F315-I356 HydrophobicContact CZ-CG1 3.59Å; F315-F360 AromaticContact CD2-CE2 3.86Å; F315-F360 HydrophobicContact CD2-CE2 3.86Å; F315-F360 HydrophobicContact CE2-CE2 4.13Å; F315-F360 HydrophobicContact CG-CE2 4.2Å; F315-F366 HydrophobicContact CB-CD1 4.34Å; F315-F366 HydrophobicContact CB-CE1 4.36Å; F315-F366 AromaticContact CD1-CD1 3.78Å; F315-F366 HydrophobicContact CD1-CD1 3.78Å; F315-F366 HydrophobicContact CE1-CB 4.39Å; F315-F366 HydrophobicContact CE1-CD1 4.31Å; F315-F366 HydrophobicContact CG-CD1 4.08Å; F315-M370 HydrophobicContact CE1-CB 4.1Å |
| 316 | G | 96.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 46 Ų | 46 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L312 H313 V319 R320 A373 | L312-G316 PolarHBondContact O-N 3.16Å; H313-G316 PolarHBondContact O-N 3.48Å; H313-G316 VanDerWaalsContact O-N 3.15Å; G316-V319 PolarHBondContact O-N 3.35Å; G316-R320 VanDerWaalsContact O-CB 3.31Å; G316-R320 WeakPolarHBondContact O-CB 3.48Å; G316-R320 PolarHBondContact O-N 3.03Å; G316-A373 WeakPolarHBondContact O-CB 3.43Å |
| 317 | E | 95.5 | Very high | 94.4 | Very high | 74 Ų | 74 | 41.6 Ų | 41.6 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 176.4 | -75.5 | -60.7 | 110.1 | 0 | 0 | 113 | H313 C314 F315 R320 T321 | H313-E317 PolarHBondContact O-N 3.31Å; C314-E317 PolarHBondContact O-N 3.33Å; F315-E317 VanDerWaalsContact C-N 3.3Å; F315-E317 PolarHBondContact O-N 3.23Å; E317-R320 PolarHBondContact O-N 2.96Å; E317-R320 IonicContact OE1-CZ 3.43Å; E317-R320 IonicContact OE1-NE 3.92Å; E317-R320 PolarHBondContact OE1-NE 3.09Å; E317-R320 IonicContact OE2-CZ 3.42Å; E317-R320 IonicContact OE2-NE 3.48Å; E317-R320 PolarHBondContact OE2-NE 3.36Å; E317-R320 VanDerWaalsContact OE2-NE 3.16Å; E317-R320 IonicContact OE2-NH2 3.34Å; E317-R320 PolarHBondContact OE2-NH2 2.97Å; E317-T321 WeakPolarHBondContact O-CB 2.88Å; E317-T321 PolarHBondContact O-N 3.48Å; E317-T321 PolarHBondContact O-OG1 2.83Å |
| 318 | H | 96.5 | Very high | 94.1 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | 174.5 | -178.6 | 59.6 | 0 | 0 | 0 | 112.2 | I287 E290 C314 F315 R320 T321 S322 F352 | I287-H318 HydrophobicContact CG2-CB 3.57Å; E290-H318 IonicContact OE1-CD2 2.9Å; E290-H318 IonicContact OE1-CE1 3.71Å; E290-H318 IonicContact OE1-NE2 2.77Å; E290-H318 PolarHBondContact OE1-NE2 2.67Å; C314-H318 WeakPolarHBondContact O-CB 3.17Å; C314-H318 PolarHBondContact O-N 3.38Å; F315-H318 PolarHBondContact O-N 3.33Å; H318-R320 VanDerWaalsContact C-N 3.34Å; H318-R320 PolarHBondContact O-N 3.37Å; H318-T321 PolarHBondContact O-N 3.13Å; H318-S322 WeakPolarHBondContact O-CB 3.43Å; H318-S322 PolarHBondContact O-N 3.34Å; H318-S322 PolarHBondContact O-OG 3.02Å; H318-F352 AromaticContact CD2-CE1 3.78Å |
| 319 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 174.3 | 174 | 0 | 0 | 0 | 0 | 110.2 | F315 G316 T321 S322 I323 F352 M370 A373 F374 | F315-V319 HydrophobicContact CD1-CG2 4.34Å; F315-V319 HydrophobicContact CD2-CG2 4.26Å; F315-V319 HydrophobicContact CE1-CG2 3.89Å; F315-V319 HydrophobicContact CE2-CG2 3.78Å; F315-V319 HydrophobicContact CZ-CG2 3.58Å; F315-V319 WeakPolarHBondContact O-CG2 3.48Å; F315-V319 PolarHBondContact O-N 3.04Å; G316-V319 PolarHBondContact O-N 3.35Å; V319-T321 VanDerWaalsContact C-N 3.34Å; V319-T321 PolarHBondContact O-N 3.4Å; V319-S322 PolarHBondContact O-N 2.82Å; V319-I323 HydrophobicContact CG1-CD1 3.83Å; V319-I323 VanDerWaalsContact O-CG1 3.28Å; V319-I323 WeakPolarHBondContact O-CG1 3.5Å; V319-I323 PolarHBondContact O-N 3.45Å; V319-F352 HydrophobicContact CB-CD2 4.43Å; V319-F352 HydrophobicContact CB-CE2 4.2Å; V319-F352 HydrophobicContact CB-CZ 4.33Å; V319-F352 HydrophobicContact CG1-CD2 4.04Å; V319-F352 HydrophobicContact CG1-CE2 4.08Å; V319-F352 HydrophobicContact CG2-CD1 3.79Å; V319-F352 HydrophobicContact CG2-CD2 3.99Å; V319-F352 HydrophobicContact CG2-CE1 3.81Å; V319-F352 HydrophobicContact CG2-CE2 3.99Å; V319-F352 HydrophobicContact CG2-CG 3.89Å; V319-F352 HydrophobicContact CG2-CZ 3.9Å; V319-M370 HydrophobicContact CG1-CG 4.15Å; V319-A373 HydrophobicContact CB-CB 3.96Å; V319-A373 HydrophobicContact CG1-CB 3.72Å; V319-F374 HydrophobicContact CG1-CD2 4.08Å; V319-F374 HydrophobicContact CG1-CE2 3.96Å |
| 320 | R | 95.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 178.7 | -170.9 | -173.5 | 66.1 | 69.7 | 3.4 | 111.5 | G316 E317 H318 I323 L324 A373 A377 | G316-R320 VanDerWaalsContact O-CB 3.31Å; G316-R320 WeakPolarHBondContact O-CB 3.48Å; G316-R320 PolarHBondContact O-N 3.03Å; E317-R320 PolarHBondContact O-N 2.96Å; E317-R320 IonicContact OE1-CZ 3.43Å; E317-R320 IonicContact OE1-NE 3.92Å; E317-R320 PolarHBondContact OE1-NE 3.09Å; E317-R320 IonicContact OE2-CZ 3.42Å; E317-R320 IonicContact OE2-NE 3.48Å; E317-R320 PolarHBondContact OE2-NE 3.36Å; E317-R320 VanDerWaalsContact OE2-NE 3.16Å; E317-R320 IonicContact OE2-NH2 3.34Å; E317-R320 PolarHBondContact OE2-NH2 2.97Å; H318-R320 VanDerWaalsContact C-N 3.34Å; H318-R320 PolarHBondContact O-N 3.37Å; R320-I323 PolarHBondContact O-N 2.89Å; R320-L324 HydrophobicContact CG-CD1 4.37Å; R320-L324 WeakPolarHBondContact O-CG 3.43Å; R320-L324 PolarHBondContact O-N 3.14Å; R320-A373 HydrophobicContact CB-CB 4.24Å; R320-A377 HydrophobicContact CG-CB 4.1Å |
| 321 | T | 94 | Very high | 93.1 | Very high | 70 Ų | 70 | 42.6 Ų | 42.6 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.6 | -45.3 | -179.8 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | E317 H318 V319 I323 L324 E325 | E317-T321 WeakPolarHBondContact O-CB 2.88Å; E317-T321 PolarHBondContact O-N 3.48Å; E317-T321 PolarHBondContact O-OG1 2.83Å; H318-T321 PolarHBondContact O-N 3.13Å; V319-T321 VanDerWaalsContact C-N 3.34Å; V319-T321 PolarHBondContact O-N 3.4Å; T321-I323 VanDerWaalsContact C-N 3.29Å; T321-I323 PolarHBondContact O-N 3.32Å; T321-L324 PolarHBondContact O-N 2.87Å; T321-E325 WeakPolarHBondContact O-CB 3.35Å; T321-E325 PolarHBondContact O-N 2.85Å |
| 322 | S | 95 | Very high | 92.4 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 176.6 | -63 | 0 | 0 | 0 | 0 | 112.4 | H318 V319 A326 | H318-S322 WeakPolarHBondContact O-CB 3.43Å; H318-S322 PolarHBondContact O-N 3.34Å; H318-S322 PolarHBondContact O-OG 3.02Å; V319-S322 PolarHBondContact O-N 2.82Å; S322-A326 WeakPolarHBondContact O-CB 3.33Å; S322-A326 PolarHBondContact O-N 3.47Å; S322-A326 VanDerWaalsContact O-N 3.07Å |
| 323 | I | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 177.2 | -65.7 | 164.4 | 0 | 0 | 0 | 110.9 | V319 R320 T321 E325 A326 I327 L345 L348 F374 A377 V378 | V319-I323 HydrophobicContact CG1-CD1 3.83Å; V319-I323 VanDerWaalsContact O-CG1 3.28Å; V319-I323 WeakPolarHBondContact O-CG1 3.5Å; V319-I323 PolarHBondContact O-N 3.45Å; R320-I323 PolarHBondContact O-N 2.89Å; T321-I323 VanDerWaalsContact C-N 3.29Å; T321-I323 PolarHBondContact O-N 3.32Å; I323-E325 VanDerWaalsContact C-N 3.3Å; I323-E325 PolarHBondContact O-N 3.47Å; I323-A326 PolarHBondContact O-N 3.07Å; I323-I327 HydrophobicContact CG2-CD1 3.71Å; I323-I327 HydrophobicContact CG2-CG1 4.36Å; I323-I327 VanDerWaalsContact O-CG1 3.28Å; I323-I327 WeakPolarHBondContact O-CG1 3.48Å; I323-I327 PolarHBondContact O-N 3.5Å; I323-L345 HydrophobicContact CG2-CD2 3.69Å; I323-L348 HydrophobicContact CB-CD1 4.45Å; I323-L348 HydrophobicContact CG1-CD1 3.96Å; I323-F374 HydrophobicContact CD1-CB 4.33Å; I323-F374 HydrophobicContact CD1-CD1 3.72Å; I323-F374 HydrophobicContact CD1-CD2 3.66Å; I323-F374 HydrophobicContact CD1-CE1 3.82Å; I323-F374 HydrophobicContact CD1-CE2 3.77Å; I323-F374 HydrophobicContact CD1-CG 3.64Å; I323-F374 HydrophobicContact CD1-CZ 3.82Å; I323-F374 HydrophobicContact CG1-CE1 4.26Å; I323-F374 HydrophobicContact CG1-CZ 4.24Å; I323-A377 HydrophobicContact CB-CB 3.82Å; I323-A377 HydrophobicContact CD1-CB 4.16Å; I323-A377 HydrophobicContact CG2-CB 3.53Å; I323-V378 HydrophobicContact CG2-CG2 4.48Å |
| 324 | L | 92.3 | Very high | 90.7 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 35% | 0.346 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 179.6 | -70.6 | 176.5 | 0 | 0 | 0 | 112.2 | R320 T321 I327 S328 A377 | R320-L324 HydrophobicContact CG-CD1 4.37Å; R320-L324 WeakPolarHBondContact O-CG 3.43Å; R320-L324 PolarHBondContact O-N 3.14Å; T321-L324 PolarHBondContact O-N 2.87Å; L324-I327 PolarHBondContact O-N 2.93Å; L324-S328 WeakPolarHBondContact O-CB 3.42Å; L324-S328 PolarHBondContact O-N 3.27Å; L324-A377 HydrophobicContact CD2-CB 4.32Å; L324-A377 HydrophobicContact CG-CB 4.33Å |
| 325 | E | 92 | Very high | 89.9 | Confident | 114 Ų | 114 | 54.5 Ų | 54.5 | 53% | 0.533 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 173.6 | -174.9 | 178.2 | -173.3 | 0 | 0 | 111.1 | T321 I323 I327 S328 N329 | T321-E325 WeakPolarHBondContact O-CB 3.35Å; T321-E325 PolarHBondContact O-N 2.85Å; I323-E325 VanDerWaalsContact C-N 3.3Å; I323-E325 PolarHBondContact O-N 3.47Å; E325-I327 VanDerWaalsContact C-N 3.28Å; E325-I327 PolarHBondContact O-N 2.94Å; E325-S328 WeakPolarHBondContact CA-OG 3.5Å; E325-S328 PolarHBondContact O-N 3.3Å; E325-S328 VanDerWaalsContact O-N 3.09Å; E325-S328 PolarHBondContact O-OG 3.01Å; E325-N329 PolarHBondContact O-N 2.92Å; E325-N329 VanDerWaalsContact O-N 3.1Å; E325-N329 PolarHBondContact O-ND2 3.37Å |
| 326 | A | 91.3 | Very high | 89.3 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S322 I323 L348 | S322-A326 WeakPolarHBondContact O-CB 3.33Å; S322-A326 PolarHBondContact O-N 3.47Å; S322-A326 VanDerWaalsContact O-N 3.07Å; I323-A326 PolarHBondContact O-N 3.07Å; A326-L348 HydrophobicContact CB-CD1 3.76Å |
| 327 | I | 89 | Confident | 88.9 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 175.6 | -67.4 | 170.7 | 0 | 0 | 0 | 111.4 | I323 L324 E325 N329 L330 F341 | I323-I327 HydrophobicContact CG2-CD1 3.71Å; I323-I327 HydrophobicContact CG2-CG1 4.36Å; I323-I327 VanDerWaalsContact O-CG1 3.28Å; I323-I327 WeakPolarHBondContact O-CG1 3.48Å; I323-I327 PolarHBondContact O-N 3.5Å; L324-I327 PolarHBondContact O-N 2.93Å; E325-I327 VanDerWaalsContact C-N 3.28Å; E325-I327 PolarHBondContact O-N 2.94Å; I327-N329 VanDerWaalsContact C-N 3.28Å; I327-N329 PolarHBondContact O-N 3.44Å; I327-L330 HydrophobicContact CG2-CD1 4.17Å; I327-L330 VanDerWaalsContact O-CD1 3.28Å; I327-L330 WeakPolarHBondContact O-CD1 3.43Å; I327-L330 WeakPolarHBondContact O-CG 3.48Å; I327-L330 PolarHBondContact O-N 2.83Å; I327-F341 HydrophobicContact CD1-CE2 4.09Å; I327-F341 HydrophobicContact CG1-CD2 4.3Å; I327-F341 HydrophobicContact CG1-CE2 3.97Å |
| 328 | S | 86.8 | Confident | 88.6 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.1 | -28.5 | 179 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | L324 E325 L330 | L324-S328 WeakPolarHBondContact O-CB 3.42Å; L324-S328 PolarHBondContact O-N 3.27Å; E325-S328 WeakPolarHBondContact CA-OG 3.5Å; E325-S328 PolarHBondContact O-N 3.3Å; E325-S328 VanDerWaalsContact O-N 3.09Å; E325-S328 PolarHBondContact O-OG 3.01Å; S328-L330 VanDerWaalsContact C-N 3.3Å; S328-L330 PolarHBondContact O-N 3.33Å |
| 329 | N | 87.7 | Confident | 88.3 | Confident | 116 Ų | 116 | 56.2 Ų | 56.2 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 12.1 | -178.7 | -72.3 | -31.8 | 0 | 0 | 0 | 114.1 | E325 I327 | E325-N329 PolarHBondContact O-N 2.92Å; E325-N329 VanDerWaalsContact O-N 3.1Å; E325-N329 PolarHBondContact O-ND2 3.37Å; I327-N329 VanDerWaalsContact C-N 3.28Å; I327-N329 PolarHBondContact O-N 3.44Å |
| 330 | L | 87.8 | Confident | 88.1 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | trans | -70.1 | 144.6 | -176.8 | -68.2 | 170 | 0 | 0 | 0 | 113.1 | I327 S328 T337 H340 F341 | I327-L330 HydrophobicContact CG2-CD1 4.17Å; I327-L330 VanDerWaalsContact O-CD1 3.28Å; I327-L330 WeakPolarHBondContact O-CD1 3.43Å; I327-L330 WeakPolarHBondContact O-CG 3.48Å; I327-L330 PolarHBondContact O-N 2.83Å; S328-L330 VanDerWaalsContact C-N 3.3Å; S328-L330 PolarHBondContact O-N 3.33Å; L330-T337 HydrophobicContact CB-CG2 4.31Å; L330-T337 HydrophobicContact CD1-CG2 4.3Å; L330-H340 HydrophobicContact CD2-CB 3.91Å; L330-F341 HydrophobicContact CD1-CB 4.25Å; L330-F341 HydrophobicContact CD1-CD2 3.78Å; L330-F341 HydrophobicContact CD1-CG 4.48Å; L330-F341 HydrophobicContact CD2-CB 4.11Å | ||
| 331 | P | 86.2 | Confident | 88 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 25% | 0.253 | 31% | 0.312 | S | S | . | . | trans | -60.9 | 150.3 | 172.4 | -21.8 | 32.7 | 0 | 0 | 0 | 112.5 | L336 T337 H340 | P331-L336 HydrophobicContact CB-CB 4.16Å; P331-L336 HydrophobicContact CG-CB 4.29Å; P331-T337 PolarHBondContact O-OG1 3.41Å; P331-H340 HydrophobicContact CG-CB 4.39Å | ||
| 332 | K | 79.5 | Confident | 88 | Confident | 208 Ų | 208 | 53.8 Ų | 53.8 | 90% | 0.904 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -77.9 | -18.3 | 175.2 | -64.2 | -177.5 | -179.2 | 177.5 | 0 | 113.9 | S334 | K332-S334 PolarHBondContact O-N 2.81Š|
| 333 | D | 79.6 | Confident | 87.9 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -74.8 | 112.2 | 176 | -179.3 | -16.2 | 0 | 0 | 0 | 110 | S335 L336 T337 | D333-S335 PolarHBondContact O-N 2.84Å; D333-S335 PolarHBondContact OD1-N 3.48Å; D333-S335 PolarHBondContact OD1-OG 3.42Å; D333-S335 PolarHBondContact OD2-OG 3.04Å; D333-L336 HydrophobicContact CB-CB 4.34Å; D333-L336 HydrophobicContact CB-CD1 4.23Å; D333-L336 HydrophobicContact CB-CG 4.36Å; D333-L336 PolarHBondContact O-N 2.93Å; D333-T337 VanDerWaalsContact C-OG1 3.27Å; D333-T337 PolarHBondContact O-N 2.98Å; D333-T337 PolarHBondContact O-OG1 3.29Å |
| 334 | S | 76.5 | Confident | 87.9 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -46.1 | -37.1 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 114.1 | K332 Q338 N727 | K332-S334 PolarHBondContact O-N 2.81Å; S334-Q338 PolarHBondContact O-N 2.96Å; S334-N727 PolarHBondContact OG-ND2 3.45Å |
| 335 | S | 79.1 | Confident | 88.1 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74 | -29.2 | -178.1 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | D333 Q338 | D333-S335 PolarHBondContact O-N 2.84Å; D333-S335 PolarHBondContact OD1-N 3.48Å; D333-S335 PolarHBondContact OD1-OG 3.42Å; D333-S335 PolarHBondContact OD2-OG 3.04Å; S335-Q338 VanDerWaalsContact O-CG 3.29Å; S335-Q338 WeakPolarHBondContact O-CG 3.21Å; S335-Q338 PolarHBondContact O-NE2 3.47Å |
| 336 | L | 85.7 | Confident | 88.3 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -87.6 | -37.6 | 174.8 | -64.8 | 177.4 | 0 | 0 | 0 | 110.8 | P331 D333 Q338 V339 H340 | P331-L336 HydrophobicContact CB-CB 4.16Å; P331-L336 HydrophobicContact CG-CB 4.29Å; D333-L336 HydrophobicContact CB-CB 4.34Å; D333-L336 HydrophobicContact CB-CD1 4.23Å; D333-L336 HydrophobicContact CB-CG 4.36Å; D333-L336 PolarHBondContact O-N 2.93Å; L336-Q338 VanDerWaalsContact C-N 3.28Å; L336-Q338 PolarHBondContact O-N 3.27Å; L336-V339 PolarHBondContact O-N 3.37Å; L336-H340 PolarHBondContact O-CD2 3.29Å; L336-H340 VanDerWaalsContact O-CD2 3.3Å; L336-H340 PolarHBondContact O-N 3.41Å |
| 337 | T | 87.4 | Confident | 88.5 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -51.7 | -46.1 | 179.1 | -48.2 | 0 | 0 | 0 | 0 | 111.5 | L330 P331 D333 V339 F341 Y397 L402 | L330-T337 HydrophobicContact CB-CG2 4.31Å; L330-T337 HydrophobicContact CD1-CG2 4.3Å; P331-T337 PolarHBondContact O-OG1 3.41Å; D333-T337 VanDerWaalsContact C-OG1 3.27Å; D333-T337 PolarHBondContact O-N 2.98Å; D333-T337 PolarHBondContact O-OG1 3.29Å; T337-V339 VanDerWaalsContact C-N 3.35Å; T337-V339 PolarHBondContact O-N 3.5Å; T337-F341 WeakPolarHBondContact O-CB 3.49Å; T337-F341 PolarHBondContact O-N 2.86Å; T337-Y397 HydrophobicContact CG2-CD1 4.11Å; T337-Y397 HydrophobicContact CG2-CE1 3.96Å; T337-L402 HydrophobicContact CG2-CD1 4.45Å; T337-L402 HydrophobicContact CG2-CD2 4.26Å |
| 338 | Q | 89.2 | Confident | 88.9 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 179.5 | 70 | -166.8 | -14.2 | 0 | 0 | 113.2 | S334 S335 L336 I342 L402 | S334-Q338 PolarHBondContact O-N 2.96Å; S335-Q338 VanDerWaalsContact O-CG 3.29Å; S335-Q338 WeakPolarHBondContact O-CG 3.21Å; S335-Q338 PolarHBondContact O-NE2 3.47Å; L336-Q338 VanDerWaalsContact C-N 3.28Å; L336-Q338 PolarHBondContact O-N 3.27Å; Q338-I342 WeakPolarHBondContact O-CG1 3.27Å; Q338-I342 PolarHBondContact O-N 3.42Å; Q338-L402 HydrophobicContact CB-CD2 4.18Å |
| 339 | V | 90.6 | Very high | 89.4 | Confident | 39 Ų | 39 | 54 Ų | 54 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74 | -52.2 | -177.4 | 178.6 | 0 | 0 | 0 | 0 | 109 | L336 T337 F341 I342 E343 Y406 | L336-V339 PolarHBondContact O-N 3.37Å; T337-V339 VanDerWaalsContact C-N 3.35Å; T337-V339 PolarHBondContact O-N 3.5Å; V339-F341 VanDerWaalsContact C-N 3.28Å; V339-F341 PolarHBondContact O-N 2.64Å; V339-I342 PolarHBondContact O-N 2.56Å; V339-E343 HydrophobicContact CG1-CG 4.26Å; V339-E343 WeakPolarHBondContact O-CB 3.5Å; V339-E343 WeakPolarHBondContact O-CG 3.12Å; V339-E343 PolarHBondContact O-N 2.87Å; V339-Y406 HydrophobicContact CB-CD2 4.47Å; V339-Y406 HydrophobicContact CG1-CE2 4.29Å; V339-Y406 HydrophobicContact CG2-CD2 4.18Å; V339-Y406 HydrophobicContact CG2-CE2 4.44Å |
| 340 | H | 91.4 | Very high | 89.8 | Confident | 86 Ų | 86 | 52 Ų | 52 | 40% | 0.398 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 179 | -78.7 | -86 | 0 | 0 | 0 | 112.2 | L330 P331 L336 S344 | L330-H340 HydrophobicContact CD2-CB 3.91Å; P331-H340 HydrophobicContact CG-CB 4.39Å; L336-H340 PolarHBondContact O-CD2 3.29Å; L336-H340 VanDerWaalsContact O-CD2 3.3Å; L336-H340 PolarHBondContact O-N 3.41Å; H340-S344 WeakPolarHBondContact O-CB 3.33Å; H340-S344 PolarHBondContact O-N 3.42Å; H340-S344 PolarHBondContact O-OG 2.94Å |
| 341 | F | 92.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.022 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.5 | -53.1 | 176.6 | 179.8 | -104.4 | 0 | 0 | 0 | 111.8 | I327 L330 T337 V339 L345 V378 P399 L402 | I327-F341 HydrophobicContact CD1-CE2 4.09Å; I327-F341 HydrophobicContact CG1-CD2 4.3Å; I327-F341 HydrophobicContact CG1-CE2 3.97Å; L330-F341 HydrophobicContact CD1-CB 4.25Å; L330-F341 HydrophobicContact CD1-CD2 3.78Å; L330-F341 HydrophobicContact CD1-CG 4.48Å; L330-F341 HydrophobicContact CD2-CB 4.11Å; T337-F341 WeakPolarHBondContact O-CB 3.49Å; T337-F341 PolarHBondContact O-N 2.86Å; V339-F341 VanDerWaalsContact C-N 3.28Å; V339-F341 PolarHBondContact O-N 2.64Å; F341-L345 HydrophobicContact CD1-CD1 4.16Å; F341-L345 HydrophobicContact CD2-CD1 4.37Å; F341-L345 HydrophobicContact CE1-CD1 3.72Å; F341-L345 HydrophobicContact CE2-CD1 3.99Å; F341-L345 HydrophobicContact CG-CD1 4.47Å; F341-L345 HydrophobicContact CZ-CD1 3.64Å; F341-L345 VanDerWaalsContact O-CG 3.25Å; F341-L345 WeakPolarHBondContact O-CG 3.19Å; F341-L345 PolarHBondContact O-N 3.42Å; F341-V378 HydrophobicContact CZ-CG1 4.35Å; F341-P399 HydrophobicContact CE1-CB 4.22Å; F341-P399 HydrophobicContact CZ-CB 4.03Å; F341-P399 HydrophobicContact CZ-CG 4.33Å; F341-L402 HydrophobicContact CB-CD1 4.15Å; F341-L402 HydrophobicContact CD1-CB 3.87Å; F341-L402 HydrophobicContact CD1-CD1 3.87Å; F341-L402 HydrophobicContact CD2-CD1 4.12Å; F341-L402 HydrophobicContact CE1-CB 4.31Å; F341-L402 HydrophobicContact CE1-CD1 4.28Å; F341-L402 HydrophobicContact CE2-CD1 4.48Å; F341-L402 HydrophobicContact CG-CB 4.5Å; F341-L402 HydrophobicContact CG-CD1 3.79Å |
| 342 | I | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.9 | -45.1 | -177.1 | -60.7 | -57.7 | 0 | 0 | 0 | 111.8 | Q338 V339 S344 L345 L346 L403 Y406 I433 | Q338-I342 WeakPolarHBondContact O-CG1 3.27Å; Q338-I342 PolarHBondContact O-N 3.42Å; V339-I342 PolarHBondContact O-N 2.56Å; I342-S344 PolarHBondContact O-N 3.36Å; I342-L345 PolarHBondContact O-N 2.9Å; I342-L346 HydrophobicContact CG2-CD1 3.87Å; I342-L346 HydrophobicContact CG2-CG 4.28Å; I342-L346 WeakPolarHBondContact O-CB 3.25Å; I342-L346 VanDerWaalsContact O-CG 3.29Å; I342-L346 WeakPolarHBondContact O-CG 3.49Å; I342-L346 PolarHBondContact O-N 3.47Å; I342-L403 HydrophobicContact CD1-CB 3.94Å; I342-L403 HydrophobicContact CD1-CD1 3.57Å; I342-L403 HydrophobicContact CD1-CG 4.37Å; I342-L403 HydrophobicContact CG1-CD1 4.24Å; I342-Y406 HydrophobicContact CB-CD1 3.88Å; I342-Y406 HydrophobicContact CB-CD2 4.37Å; I342-Y406 HydrophobicContact CB-CE1 4.12Å; I342-Y406 HydrophobicContact CB-CG 4Å; I342-Y406 HydrophobicContact CG1-CD1 3.92Å; I342-Y406 HydrophobicContact CG1-CG 3.86Å; I342-Y406 HydrophobicContact CG2-CD1 3.6Å; I342-Y406 HydrophobicContact CG2-CE1 3.54Å; I342-Y406 HydrophobicContact CG2-CG 4.25Å; I342-I433 HydrophobicContact CD1-CG2 4.11Å |
| 343 | E | 94.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 46 Ų | 46 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67 | -36.5 | -178.4 | -67.3 | -170.6 | 156 | 0 | 0 | 112.2 | V339 L346 N347 Y406 K426 | V339-E343 HydrophobicContact CG1-CG 4.26Å; V339-E343 WeakPolarHBondContact O-CB 3.5Å; V339-E343 WeakPolarHBondContact O-CG 3.12Å; V339-E343 PolarHBondContact O-N 2.87Å; E343-L346 PolarHBondContact O-N 2.91Å; E343-N347 WeakPolarHBondContact O-CB 3.41Å; E343-N347 PolarHBondContact O-N 3.03Å; E343-Y406 HydrophobicContact CG-CE2 4.44Å; E343-K426 IonicContact OE1-NZ 3.87Å; E343-K426 PolarHBondContact OE1-NZ 3.05Å |
| 344 | S | 94.1 | Very high | 92.3 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 174.9 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | H340 I342 N347 L348 | H340-S344 WeakPolarHBondContact O-CB 3.33Å; H340-S344 PolarHBondContact O-N 3.42Å; H340-S344 PolarHBondContact O-OG 2.94Å; I342-S344 PolarHBondContact O-N 3.36Å; S344-N347 PolarHBondContact O-N 3.15Å; S344-L348 WeakPolarHBondContact O-CB 3.45Å; S344-L348 WeakPolarHBondContact O-CG 3.48Å; S344-L348 PolarHBondContact O-N 2.69Å |
| 345 | L | 95.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 176.8 | -70.2 | 176.5 | 0 | 0 | 0 | 112.3 | I323 F341 I342 R349 F374 V378 I433 | I323-L345 HydrophobicContact CG2-CD2 3.69Å; F341-L345 HydrophobicContact CD1-CD1 4.16Å; F341-L345 HydrophobicContact CD2-CD1 4.37Å; F341-L345 HydrophobicContact CE1-CD1 3.72Å; F341-L345 HydrophobicContact CE2-CD1 3.99Å; F341-L345 HydrophobicContact CG-CD1 4.47Å; F341-L345 HydrophobicContact CZ-CD1 3.64Å; F341-L345 VanDerWaalsContact O-CG 3.25Å; F341-L345 WeakPolarHBondContact O-CG 3.19Å; F341-L345 PolarHBondContact O-N 3.42Å; I342-L345 PolarHBondContact O-N 2.9Å; L345-R349 WeakPolarHBondContact O-CB 3.41Å; L345-R349 PolarHBondContact O-N 2.96Å; L345-F374 HydrophobicContact CD2-CE1 4.25Å; L345-V378 HydrophobicContact CD1-CG2 4.03Å; L345-V378 HydrophobicContact CD2-CG2 4.03Å; L345-I433 HydrophobicContact CB-CD1 3.83Å; L345-I433 HydrophobicContact CB-CG1 4.49Å; L345-I433 HydrophobicContact CD1-CG2 4.05Å |
| 346 | L | 95.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 43 Ų | 43 | 15% | 0.152 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 176 | -74.5 | 174.9 | 0 | 0 | 0 | 112.3 | I342 E343 R349 S350 A429 I433 | I342-L346 HydrophobicContact CG2-CD1 3.87Å; I342-L346 HydrophobicContact CG2-CG 4.28Å; I342-L346 WeakPolarHBondContact O-CB 3.25Å; I342-L346 VanDerWaalsContact O-CG 3.29Å; I342-L346 WeakPolarHBondContact O-CG 3.49Å; I342-L346 PolarHBondContact O-N 3.47Å; E343-L346 PolarHBondContact O-N 2.91Å; L346-R349 PolarHBondContact O-N 3.46Å; L346-S350 WeakPolarHBondContact O-CB 3.33Å; L346-S350 PolarHBondContact O-N 2.84Å; L346-S350 PolarHBondContact O-OG 3.36Å; L346-A429 HydrophobicContact CD1-CB 4.02Å; L346-A429 HydrophobicContact CD2-CB 3.79Å; L346-A429 WeakPolarHBondContact CD2-O 3.45Å; L346-I433 HydrophobicContact CD2-CD1 3.88Å; L346-I433 HydrophobicContact CD2-CG1 3.64Å; L346-I433 HydrophobicContact CG-CD1 4.3Å; L346-I433 HydrophobicContact CG-CG1 3.98Å |
| 347 | N | 96.3 | Very high | 94.7 | Very high | 108 Ų | 108 | 42.6 Ų | 42.6 | 58% | 0.578 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -63.3 | -51.6 | 176.1 | -172.4 | -17.9 | 0 | 0 | 0 | 110.6 | E343 S344 R349 S350 R351 | E343-N347 WeakPolarHBondContact O-CB 3.41Å; E343-N347 PolarHBondContact O-N 3.03Å; S344-N347 PolarHBondContact O-N 3.15Å; N347-R349 VanDerWaalsContact C-N 3.3Å; N347-R349 PolarHBondContact O-N 3.1Å; N347-S350 PolarHBondContact O-N 3.29Å; N347-S350 VanDerWaalsContact O-N 3.14Å; N347-R351 WeakPolarHBondContact O-CB 3.45Å; N347-R351 PolarHBondContact O-N 3.41Å |
| 348 | L | 96.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 176.7 | -73.6 | 175.3 | 0 | 0 | 0 | 112.2 | I323 A326 S344 S350 R351 F352 F374 | I323-L348 HydrophobicContact CB-CD1 4.45Å; I323-L348 HydrophobicContact CG1-CD1 3.96Å; A326-L348 HydrophobicContact CB-CD1 3.76Å; S344-L348 WeakPolarHBondContact O-CB 3.45Å; S344-L348 WeakPolarHBondContact O-CG 3.48Å; S344-L348 PolarHBondContact O-N 2.69Å; L348-S350 PolarHBondContact O-N 3.21Å; L348-R351 PolarHBondContact O-N 2.9Å; L348-F352 HydrophobicContact CD2-CE2 4.24Å; L348-F352 WeakPolarHBondContact O-CB 3.41Å; L348-F352 WeakPolarHBondContact O-CD2 3.37Å; L348-F352 PolarHBondContact O-N 2.92Å; L348-F374 HydrophobicContact CB-CZ 4.2Å |
| 349 | R | 96.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 178 | 178.1 | 178.8 | 160.3 | 84.7 | 5.3 | 111.1 | L345 L346 N347 F352 L353 D371 F374 Y436 | L345-R349 WeakPolarHBondContact O-CB 3.41Å; L345-R349 PolarHBondContact O-N 2.96Å; L346-R349 PolarHBondContact O-N 3.46Å; N347-R349 VanDerWaalsContact C-N 3.3Å; N347-R349 PolarHBondContact O-N 3.1Å; R349-F352 PolarHBondContact O-N 3.28Å; R349-L353 HydrophobicContact CG-CD1 4.01Å; R349-L353 WeakPolarHBondContact O-CB 3.45Å; R349-L353 VanDerWaalsContact O-CG 3.27Å; R349-L353 WeakPolarHBondContact O-CG 3.42Å; R349-L353 PolarHBondContact O-N 3.34Å; R349-D371 IonicContact NH1-OD1 3.79Å; R349-D371 PolarHBondContact NH1-OD1 3.42Å; R349-F374 HydrophobicContact CB-CE1 4.1Å; R349-F374 HydrophobicContact CB-CE2 4.35Å; R349-F374 HydrophobicContact CB-CZ 3.68Å; R349-Y436 PolarHBondContact NH1-OH 3.38Å |
| 350 | S | 96.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 43 Ų | 43 | 51% | 0.51 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64 | -46.2 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | L346 N347 L348 F352 L353 E354 | L346-S350 WeakPolarHBondContact O-CB 3.33Å; L346-S350 PolarHBondContact O-N 2.84Å; L346-S350 PolarHBondContact O-OG 3.36Å; N347-S350 PolarHBondContact O-N 3.29Å; N347-S350 VanDerWaalsContact O-N 3.14Å; L348-S350 PolarHBondContact O-N 3.21Å; S350-F352 PolarHBondContact O-N 3.48Å; S350-L353 PolarHBondContact O-N 2.86Å; S350-E354 PolarHBondContact O-N 3.34Å |
| 351 | R | 96.4 | Very high | 95.8 | Very high | 92 Ų | 92 | 43.2 Ų | 43.2 | 35% | 0.347 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 176.4 | -172.6 | -177.1 | 76.7 | 172.6 | 8.4 | 112.3 | E290 N347 L348 E354 Y355 | E290-R351 IonicContact OE1-CZ 2.76Å; E290-R351 IonicContact OE1-NH2 3Å; N347-R351 WeakPolarHBondContact O-CB 3.45Å; N347-R351 PolarHBondContact O-N 3.41Å; L348-R351 PolarHBondContact O-N 2.9Å; R351-E354 PolarHBondContact O-N 3.46Å; R351-Y355 WeakPolarHBondContact O-CB 3.23Å; R351-Y355 PolarHBondContact O-N 3.1Å |
| 352 | F | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.6 | -29 | -179.3 | -76.4 | -57.2 | 0 | 0 | 0 | 113.4 | F315 H318 V319 L348 R349 S350 Y355 I356 M370 | F315-F352 HydrophobicContact CE2-CD1 4.01Å; F315-F352 HydrophobicContact CE2-CE1 4.46Å; F315-F352 HydrophobicContact CZ-CD1 4.31Å; H318-F352 AromaticContact CD2-CE1 3.78Å; V319-F352 HydrophobicContact CB-CD2 4.43Å; V319-F352 HydrophobicContact CB-CE2 4.2Å; V319-F352 HydrophobicContact CB-CZ 4.33Å; V319-F352 HydrophobicContact CG1-CD2 4.04Å; V319-F352 HydrophobicContact CG1-CE2 4.08Å; V319-F352 HydrophobicContact CG2-CD1 3.79Å; V319-F352 HydrophobicContact CG2-CD2 3.99Å; V319-F352 HydrophobicContact CG2-CE1 3.81Å; V319-F352 HydrophobicContact CG2-CE2 3.99Å; V319-F352 HydrophobicContact CG2-CG 3.89Å; V319-F352 HydrophobicContact CG2-CZ 3.9Å; L348-F352 HydrophobicContact CD2-CE2 4.24Å; L348-F352 WeakPolarHBondContact O-CB 3.41Å; L348-F352 WeakPolarHBondContact O-CD2 3.37Å; L348-F352 PolarHBondContact O-N 2.92Å; R349-F352 PolarHBondContact O-N 3.28Å; S350-F352 PolarHBondContact O-N 3.48Å; F352-Y355 PolarHBondContact O-N 3.31Å; F352-I356 WeakPolarHBondContact O-CB 3.26Å; F352-I356 WeakPolarHBondContact O-CD1 3.46Å; F352-I356 WeakPolarHBondContact O-CG1 3.31Å; F352-I356 PolarHBondContact O-N 3.44Å; F352-M370 HydrophobicContact CB-CG 4.28Å; F352-M370 HydrophobicContact CB-SD 3.75Å |
| 353 | L | 96.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -48.1 | 171.1 | -77.2 | 170.4 | 0 | 0 | 0 | 111.2 | R349 S350 Y355 I356 D357 M370 | R349-L353 HydrophobicContact CG-CD1 4.01Å; R349-L353 WeakPolarHBondContact O-CB 3.45Å; R349-L353 VanDerWaalsContact O-CG 3.27Å; R349-L353 WeakPolarHBondContact O-CG 3.42Å; R349-L353 PolarHBondContact O-N 3.34Å; S350-L353 PolarHBondContact O-N 2.86Å; L353-Y355 VanDerWaalsContact C-N 3.33Å; L353-Y355 PolarHBondContact O-N 3.01Å; L353-I356 PolarHBondContact O-N 3.5Å; L353-D357 PolarHBondContact O-N 3.45Å; L353-M370 HydrophobicContact CD2-CE 3.74Å; L353-M370 HydrophobicContact CD2-SD 4.23Å; L353-M370 HydrophobicContact CG-CE 4.05Å; L353-M370 HydrophobicContact CG-SD 4.19Å |
| 354 | E | 96.7 | Very high | 96 | Very high | 119 Ų | 119 | 48 Ų | 48 | 56% | 0.556 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 174.7 | -174.1 | 178.4 | -168.3 | 0 | 0 | 111.2 | S350 R351 I356 D357 D358 | S350-E354 PolarHBondContact O-N 3.34Å; R351-E354 PolarHBondContact O-N 3.46Å; E354-I356 VanDerWaalsContact C-N 3.32Å; E354-I356 PolarHBondContact O-N 2.91Å; E354-D357 PolarHBondContact O-N 3.33Å; E354-D357 VanDerWaalsContact O-N 3.17Å; E354-D358 WeakPolarHBondContact O-CB 3.37Å; E354-D358 PolarHBondContact O-N 3.47Å |
| 355 | Y | 96.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 174.9 | -169.7 | -86.4 | 0 | 0 | 0 | 113 | E290 K292 L295 F315 R351 F352 L353 V359 F360 | E290-Y355 HydrophobicContact CB-CE2 4.11Å; E290-Y355 HydrophobicContact CG-CE2 4.33Å; K292-Y355 HydrophobicContact CG-CD2 4.37Å; K292-Y355 HydrophobicContact CG-CE2 3.99Å; L295-Y355 WeakPolarHBondContact CD1-OH 3.4Å; F315-Y355 HydrophobicContact CD2-CD1 4.43Å; F315-Y355 HydrophobicContact CD2-CE1 4.21Å; F315-Y355 AromaticContact CE2-CD1 3.81Å; F315-Y355 HydrophobicContact CE2-CD1 3.81Å; F315-Y355 HydrophobicContact CE2-CE1 4.04Å; R351-Y355 WeakPolarHBondContact O-CB 3.23Å; R351-Y355 PolarHBondContact O-N 3.1Å; F352-Y355 PolarHBondContact O-N 3.31Å; L353-Y355 VanDerWaalsContact C-N 3.33Å; L353-Y355 PolarHBondContact O-N 3.01Å; Y355-V359 HydrophobicContact CD1-CG2 4.32Å; Y355-V359 HydrophobicContact CD2-CG2 4.46Å; Y355-V359 HydrophobicContact CE1-CB 4.35Å; Y355-V359 HydrophobicContact CE1-CG2 4.16Å; Y355-V359 HydrophobicContact CE2-CG2 4.29Å; Y355-V359 HydrophobicContact CG-CG2 4.48Å; Y355-V359 WeakPolarHBondContact O-CB 3.28Å; Y355-V359 WeakPolarHBondContact O-CG2 3.39Å; Y355-V359 PolarHBondContact O-N 3.34Å; Y355-F360 HydrophobicContact CD1-CE2 4.02Å; Y355-F360 AromaticContact CE1-CE2 3.73Å; Y355-F360 HydrophobicContact CE1-CE2 3.73Å; Y355-F360 HydrophobicContact CE1-CZ 4.12Å |
| 356 | I | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 177.4 | -70.2 | 163 | 0 | 0 | 0 | 111.1 | F315 F352 L353 E354 F360 D361 G362 F366 R367 M370 | F315-I356 HydrophobicContact CE1-CD1 3.99Å; F315-I356 HydrophobicContact CE1-CG1 4.08Å; F315-I356 HydrophobicContact CE2-CG1 4.39Å; F315-I356 HydrophobicContact CZ-CD1 3.76Å; F315-I356 HydrophobicContact CZ-CG1 3.59Å; F352-I356 WeakPolarHBondContact O-CB 3.26Å; F352-I356 WeakPolarHBondContact O-CD1 3.46Å; F352-I356 WeakPolarHBondContact O-CG1 3.31Å; F352-I356 PolarHBondContact O-N 3.44Å; L353-I356 PolarHBondContact O-N 3.5Å; E354-I356 VanDerWaalsContact C-N 3.32Å; E354-I356 PolarHBondContact O-N 2.91Å; I356-F360 HydrophobicContact CG1-CD2 4.32Å; I356-F360 HydrophobicContact CG2-CB 4.43Å; I356-F360 CarbonylContact O-C 3.55Å; I356-F360 VanDerWaalsContact O-C 3.29Å; I356-F360 VanDerWaalsContact O-CA 3.3Å; I356-F360 WeakPolarHBondContact O-CA 3.47Å; I356-F360 WeakPolarHBondContact O-CB 3.49Å; I356-F360 PolarHBondContact O-N 2.87Å; I356-D361 PolarHBondContact O-N 3.32Å; I356-G362 PolarHBondContact O-N 3.24Å; I356-G362 VanDerWaalsContact O-N 3.17Å; I356-F366 HydrophobicContact CD1-CB 4.35Å; I356-F366 HydrophobicContact CG1-CB 4.12Å; I356-F366 HydrophobicContact CG2-CB 4Å; I356-R367 HydrophobicContact CD1-CG 4.26Å; I356-R367 HydrophobicContact CG2-CG 3.99Å; I356-M370 HydrophobicContact CD1-CB 4Å; I356-M370 HydrophobicContact CD1-CG 4.43Å; I356-M370 HydrophobicContact CD1-SD 3.89Å |
| 357 | D | 96.7 | Very high | 96.2 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 179.3 | -67.5 | -21.1 | 0 | 0 | 0 | 110.9 | L353 E354 G362 R367 | L353-D357 PolarHBondContact O-N 3.45Å; E354-D357 PolarHBondContact O-N 3.33Å; E354-D357 VanDerWaalsContact O-N 3.17Å; D357-G362 VanDerWaalsContact OD1-CA 3.24Å; D357-G362 WeakPolarHBondContact OD1-CA 3.3Å; D357-R367 IonicContact OD1-CZ 3.6Å; D357-R367 IonicContact OD1-NE 3.65Å; D357-R367 IonicContact OD1-NH2 3.89Å; D357-R367 PolarHBondContact OD1-NH2 2.93Å; D357-R367 IonicContact OD2-NH2 3.78Å |
| 358 | D | 95.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 51.2 Ų | 51.2 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 178.8 | -75.9 | -12.2 | 0 | 0 | 0 | 113.8 | K292 R296 E354 | K292-D358 IonicContact NZ-OD2 2.69Å; K292-D358 PolarHBondContact NZ-OD2 3.41Å; R296-D358 PolarHBondContact NH1-O 2.91Å; E354-D358 WeakPolarHBondContact O-CB 3.37Å; E354-D358 PolarHBondContact O-N 3.47Å |
| 359 | V | 96 | Very high | 96.2 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -103.9 | -36.3 | -168.9 | -175.9 | 0 | 0 | 0 | 0 | 112 | K292 L295 R296 F299 Y355 | K292-V359 HydrophobicContact CB-CG2 3.91Å; K292-V359 HydrophobicContact CD-CG2 4.34Å; K292-V359 HydrophobicContact CG-CG2 3.82Å; L295-V359 HydrophobicContact CB-CG1 3.5Å; R296-V359 HydrophobicContact CB-CG1 4.48Å; R296-V359 WeakPolarHBondContact CD-O 3.3Å; F299-V359 WeakPolarHBondContact CD1-O 3.5Å; Y355-V359 HydrophobicContact CD1-CG2 4.32Å; Y355-V359 HydrophobicContact CD2-CG2 4.46Å; Y355-V359 HydrophobicContact CE1-CB 4.35Å; Y355-V359 HydrophobicContact CE1-CG2 4.16Å; Y355-V359 HydrophobicContact CE2-CG2 4.29Å; Y355-V359 HydrophobicContact CG-CG2 4.48Å; Y355-V359 WeakPolarHBondContact O-CB 3.28Å; Y355-V359 WeakPolarHBondContact O-CG2 3.39Å; Y355-V359 PolarHBondContact O-N 3.34Å |
| 360 | F | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -116.4 | 18.8 | -170.8 | -52.6 | -53.9 | 0 | 0 | 0 | 113.6 | F299 L311 F315 Y355 I356 G362 K363 F366 | F299-F360 HydrophobicContact CB-CD1 4.08Å; F299-F360 HydrophobicContact CB-CE1 4.41Å; F299-F360 AromaticContact CD2-CD1 3.72Å; F299-F360 HydrophobicContact CD2-CD1 3.72Å; F299-F360 HydrophobicContact CE2-CB 4.23Å; F299-F360 HydrophobicContact CE2-CD1 4.22Å; F299-F360 AromaticContact CG-CD1 3.86Å; F299-F360 HydrophobicContact CG-CD1 3.86Å; F299-F360 HydrophobicContact CZ-CB 4.21Å; F299-F360 VanDerWaalsContact CZ-O 3.27Å; F299-F360 WeakPolarHBondContact CZ-O 3.24Å; L311-F360 HydrophobicContact CD1-CE1 4.24Å; L311-F360 HydrophobicContact CD1-CZ 4.47Å; L311-F360 HydrophobicContact CD2-CD1 4.14Å; L311-F360 HydrophobicContact CD2-CE1 3.53Å; L311-F360 HydrophobicContact CD2-CZ 4.39Å; L311-F360 HydrophobicContact CG-CE1 3.9Å; L311-F360 HydrophobicContact CG-CZ 4.27Å; F315-F360 AromaticContact CD2-CE2 3.86Å; F315-F360 HydrophobicContact CD2-CE2 3.86Å; F315-F360 HydrophobicContact CE2-CE2 4.13Å; F315-F360 HydrophobicContact CG-CE2 4.2Å; Y355-F360 HydrophobicContact CD1-CE2 4.02Å; Y355-F360 AromaticContact CE1-CE2 3.73Å; Y355-F360 HydrophobicContact CE1-CE2 3.73Å; Y355-F360 HydrophobicContact CE1-CZ 4.12Å; I356-F360 HydrophobicContact CG1-CD2 4.32Å; I356-F360 HydrophobicContact CG2-CB 4.43Å; I356-F360 CarbonylContact O-C 3.55Å; I356-F360 VanDerWaalsContact O-C 3.29Å; I356-F360 VanDerWaalsContact O-CA 3.3Å; I356-F360 WeakPolarHBondContact O-CA 3.47Å; I356-F360 WeakPolarHBondContact O-CB 3.49Å; I356-F360 PolarHBondContact O-N 2.87Å; F360-G362 PolarHBondContact O-N 2.89Å; F360-G362 VanDerWaalsContact O-N 3.13Å; F360-K363 WeakPolarHBondContact O-CB 3.43Å; F360-K363 WeakPolarHBondContact O-CG 3.35Å; F360-K363 PolarHBondContact O-N 3.01Å; F360-F366 HydrophobicContact CB-CB 4.46Å; F360-F366 HydrophobicContact CB-CD1 4.45Å; F360-F366 HydrophobicContact CB-CD2 3.79Å; F360-F366 HydrophobicContact CB-CE2 4.16Å; F360-F366 HydrophobicContact CB-CG 3.97Å; F360-F366 HydrophobicContact CD1-CD1 4.27Å; F360-F366 HydrophobicContact CD1-CD2 4.48Å; F360-F366 AromaticContact CD1-CE1 3.92Å; F360-F366 HydrophobicContact CD1-CE1 3.92Å; F360-F366 HydrophobicContact CD1-CE2 4.14Å; F360-F366 AromaticContact CD1-CZ 3.86Å; F360-F366 HydrophobicContact CD1-CZ 3.86Å; F360-F366 HydrophobicContact CD2-CB 4.17Å; F360-F366 AromaticContact CD2-CD1 3.43Å; F360-F366 HydrophobicContact CD2-CD1 3.43Å; F360-F366 VanDerWaalsContact CD2-CD1 3.43Å; F360-F366 HydrophobicContact CD2-CD2 4.3Å; F360-F366 AromaticContact CD2-CE1 3.86Å; F360-F366 HydrophobicContact CD2-CE1 3.86Å; F360-F366 AromaticContact CD2-CG 3.69Å; F360-F366 HydrophobicContact CD2-CG 3.69Å; F360-F366 HydrophobicContact CD2-CZ 4.46Å; F360-F366 HydrophobicContact CE1-CD1 4.41Å; F360-F366 AromaticContact CE1-CE1 3.85Å; F360-F366 HydrophobicContact CE1-CE1 3.85Å; F360-F366 HydrophobicContact CE1-CZ 4.07Å; F360-F366 AromaticContact CE2-CD1 3.59Å; F360-F366 HydrophobicContact CE2-CD1 3.59Å; F360-F366 AromaticContact CE2-CE1 3.77Å; F360-F366 HydrophobicContact CE2-CE1 3.77Å; F360-F366 HydrophobicContact CE2-CG 4.32Å; F360-F366 AromaticContact CG-CD1 3.8Å; F360-F366 HydrophobicContact CG-CD1 3.8Å; F360-F366 AromaticContact CG-CD2 3.95Å; F360-F366 HydrophobicContact CG-CD2 3.95Å; F360-F366 AromaticContact CG-CE1 3.93Å; F360-F366 HydrophobicContact CG-CE1 3.93Å; F360-F366 HydrophobicContact CG-CE2 4.08Å; F360-F366 AromaticContact CG-CG 3.83Å; F360-F366 HydrophobicContact CG-CG 3.83Å; F360-F366 HydrophobicContact CG-CZ 4.08Å; F360-F366 HydrophobicContact CZ-CD1 4.09Å; F360-F366 AromaticContact CZ-CE1 3.77Å; F360-F366 HydrophobicContact CZ-CE1 3.77Å; F360-F366 HydrophobicContact CZ-CZ 4.45Å |
| 361 | D | 95.2 | Very high | 96.2 | Very high | 89 Ų | 89 | 48.1 Ų | 48.1 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 32.2 | 177.1 | -67.7 | -41.5 | 0 | 0 | 0 | 113.5 | R296 F299 I356 K363 | R296-D361 IonicContact CZ-OD1 2.86Å; R296-D361 IonicContact CZ-OD2 3.73Å; R296-D361 IonicContact NE-OD1 3Å; R296-D361 IonicContact NE-OD2 3.26Å; R296-D361 IonicContact NH1-OD1 2.83Å; R296-D361 PolarHBondContact NH1-OD1 2.92Å; R296-D361 IonicContact NH2-OD1 3.99Å; R296-D361 PolarHBondContact NH2-OD1 3.47Å; R296-D361 IonicContact NH2-OD2 3.26Å; R296-D361 PolarHBondContact NH2-OD2 3.46Å; F299-D361 HydrophobicContact CE1-CB 4.14Å; F299-D361 WeakPolarHBondContact CE1-OD2 3.34Å; I356-D361 PolarHBondContact O-N 3.32Å; D361-K363 PolarHBondContact O-N 3.43Å |
| 362 | G | 94.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 17.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I356 D357 F360 T364 | I356-G362 PolarHBondContact O-N 3.24Å; I356-G362 VanDerWaalsContact O-N 3.17Å; D357-G362 VanDerWaalsContact OD1-CA 3.24Å; D357-G362 WeakPolarHBondContact OD1-CA 3.3Å; F360-G362 PolarHBondContact O-N 2.89Å; F360-G362 VanDerWaalsContact O-N 3.13Å; G362-T364 PolarHBondContact O-N 3.45Å |
| 363 | K | 94.1 | Very high | 96.1 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | trans | -56.5 | 130.6 | -176.5 | -84.8 | -162.5 | -174.4 | -179.2 | 0 | 112 | F299 F360 D361 A365 F366 R367 | F299-K363 HydrophobicContact CE2-CD 3.73Å; F299-K363 HydrophobicContact CE2-CG 4.5Å; F299-K363 HydrophobicContact CZ-CD 3.46Å; F299-K363 VanDerWaalsContact CZ-CD 3.46Å; F299-K363 HydrophobicContact CZ-CG 3.9Å; F360-K363 WeakPolarHBondContact O-CB 3.43Å; F360-K363 WeakPolarHBondContact O-CG 3.35Å; F360-K363 PolarHBondContact O-N 3.01Å; D361-K363 PolarHBondContact O-N 3.43Å; K363-A365 VanDerWaalsContact C-N 3.25Å; K363-A365 PolarHBondContact O-N 3.29Å; K363-F366 HydrophobicContact CB-CD2 4.05Å; K363-F366 PolarHBondContact O-N 3.17Å; K363-F366 VanDerWaalsContact O-N 3.1Å; K363-R367 PolarHBondContact O-N 2.84Å | ||
| 364 | T | 96 | Very high | 96.1 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -58.9 | -32.9 | -177.7 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | G362 F366 R367 N368 | G362-T364 PolarHBondContact O-N 3.45Å; T364-F366 VanDerWaalsContact C-N 3.34Å; T364-F366 PolarHBondContact O-N 2.94Å; T364-R367 PolarHBondContact O-N 3.18Å; T364-N368 WeakPolarHBondContact O-CB 3.45Å; T364-N368 PolarHBondContact O-N 3.16Å; T364-N368 PolarHBondContact O-ND2 3.41Å |
| 365 | A | 95.8 | Very high | 95.9 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L312 K363 N368 Q369 | L312-A365 HydrophobicContact CD1-CB 4.21Å; L312-A365 WeakPolarHBondContact CD1-O 3.45Å; K363-A365 VanDerWaalsContact C-N 3.25Å; K363-A365 PolarHBondContact O-N 3.29Å; A365-N368 PolarHBondContact O-N 2.9Å; A365-Q369 WeakPolarHBondContact O-CB 3.37Å; A365-Q369 PolarHBondContact O-N 3.09Å |
| 366 | F | 97.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 178.7 | -72.2 | -90.1 | 0 | 0 | 0 | 112 | F299 C308 L311 L312 F315 I356 F360 K363 T364 Q369 M370 | F299-F366 HydrophobicContact CD2-CE2 4.26Å; F299-F366 HydrophobicContact CD2-CZ 4.48Å; F299-F366 AromaticContact CE2-CE2 3.84Å; F299-F366 HydrophobicContact CE2-CE2 3.84Å; F299-F366 HydrophobicContact CE2-CZ 4.49Å; C308-F366 HydrophobicContact CB-CE2 4.48Å; C308-F366 HydrophobicContact CB-CZ 4.24Å; L311-F366 HydrophobicContact CB-CZ 4.43Å; L311-F366 HydrophobicContact CD2-CE1 4.35Å; L311-F366 HydrophobicContact CD2-CZ 3.89Å; L311-F366 HydrophobicContact CG-CE1 4.09Å; L311-F366 HydrophobicContact CG-CZ 4.05Å; L312-F366 HydrophobicContact CB-CE1 4.41Å; L312-F366 HydrophobicContact CD1-CB 4.42Å; L312-F366 HydrophobicContact CD1-CD1 3.77Å; L312-F366 HydrophobicContact CD1-CD2 4.16Å; L312-F366 HydrophobicContact CD1-CE1 3.94Å; L312-F366 HydrophobicContact CD1-CE2 4.3Å; L312-F366 HydrophobicContact CD1-CG 3.87Å; L312-F366 HydrophobicContact CD1-CZ 4.19Å; F315-F366 HydrophobicContact CB-CD1 4.34Å; F315-F366 HydrophobicContact CB-CE1 4.36Å; F315-F366 AromaticContact CD1-CD1 3.78Å; F315-F366 HydrophobicContact CD1-CD1 3.78Å; F315-F366 HydrophobicContact CE1-CB 4.39Å; F315-F366 HydrophobicContact CE1-CD1 4.31Å; F315-F366 HydrophobicContact CG-CD1 4.08Å; I356-F366 HydrophobicContact CD1-CB 4.35Å; I356-F366 HydrophobicContact CG1-CB 4.12Å; I356-F366 HydrophobicContact CG2-CB 4Å; F360-F366 HydrophobicContact CB-CB 4.46Å; F360-F366 HydrophobicContact CB-CD1 4.45Å; F360-F366 HydrophobicContact CB-CD2 3.79Å; F360-F366 HydrophobicContact CB-CE2 4.16Å; F360-F366 HydrophobicContact CB-CG 3.97Å; F360-F366 HydrophobicContact CD1-CD1 4.27Å; F360-F366 HydrophobicContact CD1-CD2 4.48Å; F360-F366 AromaticContact CD1-CE1 3.92Å; F360-F366 HydrophobicContact CD1-CE1 3.92Å; F360-F366 HydrophobicContact CD1-CE2 4.14Å; F360-F366 AromaticContact CD1-CZ 3.86Å; F360-F366 HydrophobicContact CD1-CZ 3.86Å; F360-F366 HydrophobicContact CD2-CB 4.17Å; F360-F366 AromaticContact CD2-CD1 3.43Å; F360-F366 HydrophobicContact CD2-CD1 3.43Å; F360-F366 VanDerWaalsContact CD2-CD1 3.43Å; F360-F366 HydrophobicContact CD2-CD2 4.3Å; F360-F366 AromaticContact CD2-CE1 3.86Å; F360-F366 HydrophobicContact CD2-CE1 3.86Å; F360-F366 AromaticContact CD2-CG 3.69Å; F360-F366 HydrophobicContact CD2-CG 3.69Å; F360-F366 HydrophobicContact CD2-CZ 4.46Å; F360-F366 HydrophobicContact CE1-CD1 4.41Å; F360-F366 AromaticContact CE1-CE1 3.85Å; F360-F366 HydrophobicContact CE1-CE1 3.85Å; F360-F366 HydrophobicContact CE1-CZ 4.07Å; F360-F366 AromaticContact CE2-CD1 3.59Å; F360-F366 HydrophobicContact CE2-CD1 3.59Å; F360-F366 AromaticContact CE2-CE1 3.77Å; F360-F366 HydrophobicContact CE2-CE1 3.77Å; F360-F366 HydrophobicContact CE2-CG 4.32Å; F360-F366 AromaticContact CG-CD1 3.8Å; F360-F366 HydrophobicContact CG-CD1 3.8Å; F360-F366 AromaticContact CG-CD2 3.95Å; F360-F366 HydrophobicContact CG-CD2 3.95Å; F360-F366 AromaticContact CG-CE1 3.93Å; F360-F366 HydrophobicContact CG-CE1 3.93Å; F360-F366 HydrophobicContact CG-CE2 4.08Å; F360-F366 AromaticContact CG-CG 3.83Å; F360-F366 HydrophobicContact CG-CG 3.83Å; F360-F366 HydrophobicContact CG-CZ 4.08Å; F360-F366 HydrophobicContact CZ-CD1 4.09Å; F360-F366 AromaticContact CZ-CE1 3.77Å; F360-F366 HydrophobicContact CZ-CE1 3.77Å; F360-F366 HydrophobicContact CZ-CZ 4.45Å; K363-F366 HydrophobicContact CB-CD2 4.05Å; K363-F366 PolarHBondContact O-N 3.17Å; K363-F366 VanDerWaalsContact O-N 3.1Å; T364-F366 VanDerWaalsContact C-N 3.34Å; T364-F366 PolarHBondContact O-N 2.94Å; F366-Q369 PolarHBondContact O-N 2.71Å; F366-M370 WeakPolarHBondContact O-CB 3.01Å; F366-M370 PolarHBondContact O-N 3.22Å |
| 367 | R | 96.9 | Very high | 95.4 | Very high | 95 Ų | 95 | 49.2 Ų | 49.2 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 172.8 | -65 | -175 | 175.7 | -180 | -1.2 | 111.7 | I356 D357 K363 T364 Q369 M370 D371 | I356-R367 HydrophobicContact CD1-CG 4.26Å; I356-R367 HydrophobicContact CG2-CG 3.99Å; D357-R367 IonicContact OD1-CZ 3.6Å; D357-R367 IonicContact OD1-NE 3.65Å; D357-R367 IonicContact OD1-NH2 3.89Å; D357-R367 PolarHBondContact OD1-NH2 2.93Å; D357-R367 IonicContact OD2-NH2 3.78Å; K363-R367 PolarHBondContact O-N 2.84Å; T364-R367 PolarHBondContact O-N 3.18Å; R367-Q369 VanDerWaalsContact C-N 3.31Å; R367-Q369 PolarHBondContact O-N 3.05Å; R367-M370 WeakPolarHBondContact O-CB 3.28Å; R367-M370 PolarHBondContact O-N 3.04Å; R367-D371 PolarHBondContact O-N 3Å |
| 368 | N | 96.9 | Very high | 95.1 | Very high | 104 Ų | 104 | 46.1 Ų | 46.1 | 56% | 0.556 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.2 | -38.7 | 176.6 | -68.4 | -14.6 | 0 | 0 | 0 | 111.8 | T364 A365 D371 K372 | T364-N368 WeakPolarHBondContact O-CB 3.45Å; T364-N368 PolarHBondContact O-N 3.16Å; T364-N368 PolarHBondContact O-ND2 3.41Å; A365-N368 PolarHBondContact O-N 2.9Å; N368-D371 PolarHBondContact O-N 3.08Å; N368-K372 WeakPolarHBondContact O-CB 3.1Å; N368-K372 PolarHBondContact O-N 2.59Å |
| 369 | Q | 97.3 | Very high | 94.7 | Very high | 35 Ų | 35 | 44 Ų | 44 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.3 | -39.6 | 177.3 | -175.4 | 74.4 | -23 | 0 | 0 | 112.1 | L312 A365 F366 R367 K372 A373 | L312-Q369 HydrophobicContact CD1-CB 3.64Å; L312-Q369 HydrophobicContact CD1-CG 4.02Å; L312-Q369 HydrophobicContact CG-CB 4Å; L312-Q369 HydrophobicContact CG-CG 3.92Å; L312-Q369 WeakPolarHBondContact O-CG 3.45Å; L312-Q369 PolarHBondContact O-NE2 2.85Å; L312-Q369 VanDerWaalsContact O-NE2 3.07Å; A365-Q369 WeakPolarHBondContact O-CB 3.37Å; A365-Q369 PolarHBondContact O-N 3.09Å; F366-Q369 PolarHBondContact O-N 2.71Å; R367-Q369 VanDerWaalsContact C-N 3.31Å; R367-Q369 PolarHBondContact O-N 3.05Å; Q369-K372 PolarHBondContact O-N 2.8Å; Q369-A373 WeakPolarHBondContact O-CB 3.37Å; Q369-A373 PolarHBondContact O-N 3Å |
| 370 | M | 97 | Very high | 94 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 170 | -177.8 | -163.1 | 73 | 0 | 0 | 110.1 | F315 V319 F352 L353 I356 F366 R367 K372 A373 F374 | F315-M370 HydrophobicContact CE1-CB 4.1Å; V319-M370 HydrophobicContact CG1-CG 4.15Å; F352-M370 HydrophobicContact CB-CG 4.28Å; F352-M370 HydrophobicContact CB-SD 3.75Å; L353-M370 HydrophobicContact CD2-CE 3.74Å; L353-M370 HydrophobicContact CD2-SD 4.23Å; L353-M370 HydrophobicContact CG-CE 4.05Å; L353-M370 HydrophobicContact CG-SD 4.19Å; I356-M370 HydrophobicContact CD1-CB 4Å; I356-M370 HydrophobicContact CD1-CG 4.43Å; I356-M370 HydrophobicContact CD1-SD 3.89Å; F366-M370 WeakPolarHBondContact O-CB 3.01Å; F366-M370 PolarHBondContact O-N 3.22Å; R367-M370 WeakPolarHBondContact O-CB 3.28Å; R367-M370 PolarHBondContact O-N 3.04Å; M370-K372 VanDerWaalsContact C-N 3.29Å; M370-K372 PolarHBondContact O-N 3.44Å; M370-A373 WeakPolarHBondContact O-CB 3.46Å; M370-A373 PolarHBondContact O-N 3.03Å; M370-F374 HydrophobicContact CG-CD2 3.83Å; M370-F374 HydrophobicContact CG-CE2 3.81Å; M370-F374 WeakPolarHBondContact O-CD2 3.39Å; M370-F374 PolarHBondContact O-N 3.12Å; M370-F374 HydrophobicContact SD-CE2 4.29Å |
| 371 | D | 95.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 178.7 | -73.3 | -26.8 | 0 | 0 | 0 | 111.7 | R349 R367 N368 F374 N375 Y436 | R349-D371 IonicContact NH1-OD1 3.79Å; R349-D371 PolarHBondContact NH1-OD1 3.42Å; R367-D371 PolarHBondContact O-N 3Å; N368-D371 PolarHBondContact O-N 3.08Å; D371-F374 PolarHBondContact O-N 2.97Å; D371-N375 PolarHBondContact O-N 3.46Å; D371-N375 PolarHBondContact O-ND2 2.86Å; D371-Y436 HydrophobicContact CB-CE1 3.97Å; D371-Y436 VanDerWaalsContact OD1-CE1 3.3Å; D371-Y436 WeakPolarHBondContact OD1-CE1 3.42Å; D371-Y436 PolarHBondContact OD1-OH 3.3Å |
| 372 | K | 95 | Very high | 90.3 | Very high | 121 Ų | 121 | 54.3 Ų | 54.3 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 172.8 | -176 | -178.1 | 177.3 | -175.8 | 0 | 111.7 | N368 Q369 M370 N375 L376 | N368-K372 WeakPolarHBondContact O-CB 3.1Å; N368-K372 PolarHBondContact O-N 2.59Å; Q369-K372 PolarHBondContact O-N 2.8Å; M370-K372 VanDerWaalsContact C-N 3.29Å; M370-K372 PolarHBondContact O-N 3.44Å; K372-N375 PolarHBondContact O-N 2.91Å; K372-L376 HydrophobicContact CG-CD1 4.02Å; K372-L376 HydrophobicContact CG-CG 4.49Å; K372-L376 WeakPolarHBondContact O-CB 3.45Å; K372-L376 VanDerWaalsContact O-CG 3.3Å; K372-L376 WeakPolarHBondContact O-CG 3.47Å; K372-L376 PolarHBondContact O-N 3.19Å |
| 373 | A | 95.7 | Very high | 87.8 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 5% | 0.05 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | G316 V319 R320 Q369 M370 L376 A377 | G316-A373 WeakPolarHBondContact O-CB 3.43Å; V319-A373 HydrophobicContact CB-CB 3.96Å; V319-A373 HydrophobicContact CG1-CB 3.72Å; R320-A373 HydrophobicContact CB-CB 4.24Å; Q369-A373 WeakPolarHBondContact O-CB 3.37Å; Q369-A373 PolarHBondContact O-N 3Å; M370-A373 WeakPolarHBondContact O-CB 3.46Å; M370-A373 PolarHBondContact O-N 3.03Å; A373-L376 PolarHBondContact O-N 3.2Å; A373-A377 WeakPolarHBondContact O-CB 3.48Å; A373-A377 PolarHBondContact O-N 3.39Å |
| 374 | F | 95.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 172.8 | -91.7 | -92.3 | 0 | 0 | 0 | 112 | V319 I323 L345 L348 R349 M370 D371 L376 A377 V378 Y436 | V319-F374 HydrophobicContact CG1-CD2 4.08Å; V319-F374 HydrophobicContact CG1-CE2 3.96Å; I323-F374 HydrophobicContact CD1-CB 4.33Å; I323-F374 HydrophobicContact CD1-CD1 3.72Å; I323-F374 HydrophobicContact CD1-CD2 3.66Å; I323-F374 HydrophobicContact CD1-CE1 3.82Å; I323-F374 HydrophobicContact CD1-CE2 3.77Å; I323-F374 HydrophobicContact CD1-CG 3.64Å; I323-F374 HydrophobicContact CD1-CZ 3.82Å; I323-F374 HydrophobicContact CG1-CE1 4.26Å; I323-F374 HydrophobicContact CG1-CZ 4.24Å; L345-F374 HydrophobicContact CD2-CE1 4.25Å; L348-F374 HydrophobicContact CB-CZ 4.2Å; R349-F374 HydrophobicContact CB-CE1 4.1Å; R349-F374 HydrophobicContact CB-CE2 4.35Å; R349-F374 HydrophobicContact CB-CZ 3.68Å; M370-F374 HydrophobicContact CG-CD2 3.83Å; M370-F374 HydrophobicContact CG-CE2 3.81Å; M370-F374 WeakPolarHBondContact O-CD2 3.39Å; M370-F374 PolarHBondContact O-N 3.12Å; M370-F374 HydrophobicContact SD-CE2 4.29Å; D371-F374 PolarHBondContact O-N 2.97Å; F374-L376 VanDerWaalsContact C-N 3.33Å; F374-L376 PolarHBondContact O-N 2.81Å; F374-A377 PolarHBondContact O-N 3.29Å; F374-V378 HydrophobicContact CD1-CG2 4.41Å; F374-V378 WeakPolarHBondContact O-CB 3.41Å; F374-V378 WeakPolarHBondContact O-CG2 3.33Å; F374-V378 PolarHBondContact O-N 2.96Å; F374-Y436 HydrophobicContact CB-CD1 3.72Å; F374-Y436 HydrophobicContact CB-CD2 3.77Å; F374-Y436 HydrophobicContact CB-CE1 3.63Å; F374-Y436 HydrophobicContact CB-CE2 3.64Å; F374-Y436 HydrophobicContact CB-CG 3.77Å; F374-Y436 AromaticContact CD1-CD2 3.72Å; F374-Y436 HydrophobicContact CD1-CD2 3.72Å; F374-Y436 AromaticContact CD1-CE2 3.45Å; F374-Y436 HydrophobicContact CD1-CE2 3.45Å; F374-Y436 VanDerWaalsContact CD1-CE2 3.45Å; F374-Y436 HydrophobicContact CD2-CE2 4.34Å; F374-Y436 HydrophobicContact CE1-CE2 4.19Å; F374-Y436 HydrophobicContact CG-CD2 4Å; F374-Y436 HydrophobicContact CG-CE1 4.3Å; F374-Y436 AromaticContact CG-CE2 3.55Å; F374-Y436 HydrophobicContact CG-CE2 3.55Å; F374-Y436 HydrophobicContact CG-CG 4.5Å; F374-Y436 AromaticContact CG-CZ 3.68Å |
| 375 | N | 92.3 | Very high | 82.1 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 176.6 | -78.3 | -67.6 | 0 | 0 | 0 | 111.7 | D371 K372 N379 Y436 | D371-N375 PolarHBondContact O-N 3.46Å; D371-N375 PolarHBondContact O-ND2 2.86Å; K372-N375 PolarHBondContact O-N 2.91Å; N375-N379 WeakPolarHBondContact O-CB 3.36Å; N375-N379 PolarHBondContact O-N 3.12Å; N375-N379 PolarHBondContact O-ND2 3.33Å; N375-Y436 VanDerWaalsContact OD1-CA 3.27Å; N375-Y436 WeakPolarHBondContact OD1-CA 3.47Å; N375-Y436 PolarHBondContact OD1-O 2.96Å |
| 376 | L | 91.3 | Very high | 79.1 | Confident | 104 Ų | 104 | 61.4 Ų | 61.4 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | -178.6 | -69.4 | 174 | 0 | 0 | 0 | 113.1 | K372 A373 F374 G380 | K372-L376 HydrophobicContact CG-CD1 4.02Å; K372-L376 HydrophobicContact CG-CG 4.49Å; K372-L376 WeakPolarHBondContact O-CB 3.45Å; K372-L376 VanDerWaalsContact O-CG 3.3Å; K372-L376 WeakPolarHBondContact O-CG 3.47Å; K372-L376 PolarHBondContact O-N 3.19Å; A373-L376 PolarHBondContact O-N 3.2Å; F374-L376 VanDerWaalsContact C-N 3.33Å; F374-L376 PolarHBondContact O-N 2.81Å; L376-G380 VanDerWaalsContact O-CA 3.22Å; L376-G380 WeakPolarHBondContact O-CA 3.31Å; L376-G380 PolarHBondContact O-N 2.93Å |
| 377 | A | 91.5 | Very high | 76.4 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.033 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -76.4 | -42.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R320 I323 L324 A373 F374 G380 | R320-A377 HydrophobicContact CG-CB 4.1Å; I323-A377 HydrophobicContact CB-CB 3.82Å; I323-A377 HydrophobicContact CD1-CB 4.16Å; I323-A377 HydrophobicContact CG2-CB 3.53Å; L324-A377 HydrophobicContact CD2-CB 4.32Å; L324-A377 HydrophobicContact CG-CB 4.33Å; A373-A377 WeakPolarHBondContact O-CB 3.48Å; A373-A377 PolarHBondContact O-N 3.39Å; F374-A377 PolarHBondContact O-N 3.29Å; A377-G380 PolarHBondContact O-N 3.41Å |
| 378 | V | 91 | Very high | 73.6 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 5% | 0.048 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | -179.1 | 173.3 | 0 | 0 | 0 | 0 | 111 | I323 F341 L345 F374 G380 P399 I437 | I323-V378 HydrophobicContact CG2-CG2 4.48Å; F341-V378 HydrophobicContact CZ-CG1 4.35Å; L345-V378 HydrophobicContact CD1-CG2 4.03Å; L345-V378 HydrophobicContact CD2-CG2 4.03Å; F374-V378 HydrophobicContact CD1-CG2 4.41Å; F374-V378 WeakPolarHBondContact O-CB 3.41Å; F374-V378 WeakPolarHBondContact O-CG2 3.33Å; F374-V378 PolarHBondContact O-N 2.96Å; V378-G380 VanDerWaalsContact C-N 3.34Å; V378-P399 HydrophobicContact CG1-CB 3.89Å; V378-P399 HydrophobicContact CG1-CG 4.07Å; V378-P399 WeakPolarHBondContact O-CG 3.29Å; V378-I437 HydrophobicContact CG1-CG1 4.47Å |
| 379 | N | 88.4 | Confident | 70.5 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 14% | 0.144 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -91 | 1.2 | 177.4 | -55.6 | -55.8 | 0 | 0 | 0 | 113.4 | N375 R381 Y436 D438 | N375-N379 WeakPolarHBondContact O-CB 3.36Å; N375-N379 PolarHBondContact O-N 3.12Å; N375-N379 PolarHBondContact O-ND2 3.33Å; N379-R381 PolarHBondContact O-N 3.21Å; N379-Y436 PolarHBondContact ND2-O 2.95Å; N379-D438 HydrophobicContact CB-CB 4.42Å; N379-D438 VanDerWaalsContact CB-OD2 3.26Å; N379-D438 WeakPolarHBondContact CB-OD2 3.33Å; N379-D438 VanDerWaalsContact CG-CG 3.45Å; N379-D438 VanDerWaalsContact CG-OD2 3.24Å; N379-D438 PolarHBondContact ND2-N 2.93Å; N379-D438 PolarHBondContact ND2-OD1 2.96Å; N379-D438 PolarHBondContact ND2-OD2 3.48Å; N379-D438 PolarHBondContact OD1-N 2.95Å |
| 380 | G | 79.7 | Confident | 67.8 | Low | 43 Ų | 43 | 73.9 Ų | 73.9 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | trans | -58 | 102.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L376 A377 V378 V382 | L376-G380 VanDerWaalsContact O-CA 3.22Å; L376-G380 WeakPolarHBondContact O-CA 3.31Å; L376-G380 PolarHBondContact O-N 2.93Å; A377-G380 PolarHBondContact O-N 3.41Å; V378-G380 VanDerWaalsContact C-N 3.34Å; G380-V382 PolarHBondContact O-N 3.22Å | ||
| 381 | R | 63.2 | Low | 64.8 | Low | 164 Ų | 164 | 80.4 Ų | 80.4 | 62% | 0.619 | 47% | 0.467 | S | S | * | . | trans | -75.2 | 115.4 | 166.2 | -61.1 | 179.9 | -174.7 | 172.4 | 3 | 105.6 | N379 P383 D439 | N379-R381 PolarHBondContact O-N 3.21Å; R381-P383 WeakPolarHBondContact O-CD 3.44Å; R381-D439 IonicContact NH2-OD2 2.69Å; R381-D439 PolarHBondContact NH2-OD2 3.33Å | ||
| 382 | V | 50.7 | Low | 61.7 | Low | 99 Ų | 99 | 81.7 Ų | 81.7 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | trans | -53.7 | 112.2 | 169.9 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | G380 S384 | G380-V382 PolarHBondContact O-N 3.22Å; V382-S384 PolarHBondContact O-N 3.39Å | ||
| 383 | P | 41.6 | Very low | 59.1 | Low | 104 Ų | 104 | 85.8 Ų | 85.8 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | trans | -65.8 | 122 | 179.8 | -16.5 | 30.9 | 0 | 0 | 0 | 107.1 | R381 S385 | R381-P383 WeakPolarHBondContact O-CD 3.44Å; P383-S385 PolarHBondContact O-N 2.94Å | ||
| 384 | S | 37.5 | Very low | 56.5 | Low | 103 Ų | 103 | 89.8 Ų | 89.8 | 72% | 0.72 | 52% | 0.515 | S | S | * | . | trans | -65.6 | 76.1 | 170.3 | -55.6 | 0 | 0 | 0 | 0 | 109.6 | V382 | V382-S384 PolarHBondContact O-N 3.39Š| ||
| 385 | S | 33.9 | Very low | 53.9 | Low | 104 Ų | 104 | 94.2 Ų | 94.2 | 73% | 0.727 | 54% | 0.542 | S | S | * | . | trans | -98.9 | -1.2 | 171.7 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | P383 I387 | P383-S385 PolarHBondContact O-N 2.94Å; S385-I387 PolarHBondContact O-N 3.15Å | ||
| 386 | S | 31.7 | Very low | 52.3 | Low | 64 Ų | 64 | 96.9 Ų | 96.9 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | trans | -81.6 | 95.6 | 162.7 | 67.1 | 0 | 0 | 0 | 0 | 109.6 | L388 A389 | S386-L388 PolarHBondContact O-N 3.38Å; S386-A389 PolarHBondContact O-N 3Å | ||
| 387 | I | 42 | Very low | 51.3 | Low | 163 Ų | 163 | 96 Ų | 96 | 84% | 0.836 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -11.4 | 172.9 | -66.8 | 170.6 | 0 | 0 | 0 | 112.4 | S385 | S385-I387 PolarHBondContact O-N 3.15Š|
| 388 | L | 36.4 | Very low | 50.9 | Low | 166 Ų | 166 | 100 Ų | 100 | 87% | 0.869 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 12.6 | -173.6 | -77.7 | 157.9 | 0 | 0 | 0 | 116.4 | S386 | S386-L388 PolarHBondContact O-N 3.38Š|
| 389 | A | 33.6 | Very low | 50.9 | Low | 40 Ų | 40 | 100.6 Ų | 100.6 | 33% | 0.331 | 56% | 0.564 | S | S | . | * | trans | -107.6 | 65.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S386 T391 | S386-A389 PolarHBondContact O-N 3Å; A389-T391 PolarHBondContact O-N 3.37Å | ||
| 390 | T | 40.1 | Very low | 51 | Low | 131 Ų | 131 | 99.5 Ų | 99.5 | 80% | 0.804 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -75.9 | 3.7 | 174.6 | 42.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 391 | T | 34.6 | Very low | 51.5 | Low | 138 Ų | 138 | 98.7 Ų | 98.7 | 85% | 0.847 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -141.7 | 7.4 | -173 | 37.7 | 0 | 0 | 0 | 0 | 116.7 | A389 | A389-T391 PolarHBondContact O-N 3.37Š|
| 392 | S | 30.3 | Very low | 52.9 | Low | 76 Ų | 76 | 91.5 Ų | 91.5 | 53% | 0.531 | 52% | 0.517 | S | S | . | . | trans | -121.2 | 113 | 169.6 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | Q394 | S392-Q394 PolarHBondContact O-N 3.49Š| ||
| 393 | K | 39.7 | Very low | 55 | Low | 208 Ų | 208 | 86.8 Ų | 86.8 | 90% | 0.904 | 49% | 0.489 | S | S | * | . | trans | -57 | 87.4 | 167.2 | -71.5 | 174.5 | 176.2 | 177.6 | 0 | 108.1 | T395 | K393-T395 PolarHBondContact O-N 2.83Å; K393-T395 VanDerWaalsContact O-N 3.16Å | ||
| 394 | Q | 40.6 | Very low | 57.5 | Low | 89 Ų | 89 | 81.9 Ų | 81.9 | 42% | 0.416 | 46% | 0.457 | S | S | . | . | trans | -57.2 | 121.8 | 171.1 | -85.7 | 176.6 | 5.2 | 0 | 0 | 107.3 | S392 N396 | S392-Q394 PolarHBondContact O-N 3.49Å; Q394-N396 VanDerWaalsContact C-N 3.29Å; Q394-N396 PolarHBondContact O-N 2.9Å | ||
| 395 | T | 43 | Very low | 60.1 | Low | 94 Ų | 94 | 78 Ų | 78 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | trans | -66.9 | 88.8 | -175.9 | 49.9 | 0 | 0 | 0 | 0 | 108.8 | K393 Y397 | K393-T395 PolarHBondContact O-N 2.83Å; K393-T395 VanDerWaalsContact O-N 3.16Å; T395-Y397 WeakPolarHBondContact O-CD2 2.96Å; T395-Y397 PolarHBondContact O-N 3.41Å; T395-Y397 VanDerWaalsContact OG1-CE2 3.28Å; T395-Y397 WeakPolarHBondContact OG1-CE2 3.32Å | ||
| 396 | N | 58.1 | Low | 62.9 | Low | 106 Ų | 106 | 73.3 Ų | 73.3 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | trans | -62.4 | 86.4 | 159.7 | -83 | -32.1 | 0 | 0 | 0 | 107.2 | Q394 R398 | Q394-N396 VanDerWaalsContact C-N 3.29Å; Q394-N396 PolarHBondContact O-N 2.9Å; N396-R398 PolarHBondContact O-N 3.25Å | ||
| 397 | Y | 70.4 | Confident | 65.8 | Low | 84 Ų | 84 | 70.3 Ų | 70.3 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | trans | -58.2 | 134.1 | 167.3 | -61.4 | -75.6 | 0 | 0 | 0 | 107.8 | T337 T395 P399 | T337-Y397 HydrophobicContact CG2-CD1 4.11Å; T337-Y397 HydrophobicContact CG2-CE1 3.96Å; T395-Y397 WeakPolarHBondContact O-CD2 2.96Å; T395-Y397 PolarHBondContact O-N 3.41Å; T395-Y397 VanDerWaalsContact OG1-CE2 3.28Å; T395-Y397 WeakPolarHBondContact OG1-CE2 3.32Å; Y397-P399 WeakPolarHBondContact O-CD 3.48Å | ||
| 398 | R | 82.9 | Confident | 68.2 | Low | 89 Ų | 89 | 62.6 Ų | 62.6 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | trans | -102 | 100.8 | -178.5 | -65.2 | -66 | -175.4 | 115.8 | 12.7 | 108.7 | N396 S400 E401 L402 D735 | N396-R398 PolarHBondContact O-N 3.25Å; R398-S400 VanDerWaalsContact C-N 3.26Å; R398-S400 PolarHBondContact O-N 2.86Å; R398-E401 HydrophobicContact CB-CB 3.77Å; R398-E401 WeakPolarHBondContact O-CB 3.42Å; R398-E401 PolarHBondContact O-N 3.31Å; R398-L402 PolarHBondContact O-N 2.9Å; R398-D735 IonicContact CZ-OD1 3.48Å; R398-D735 IonicContact CZ-OD2 3.22Å; R398-D735 IonicContact NH1-OD1 3.07Å; R398-D735 PolarHBondContact NH1-OD1 3.05Å; R398-D735 VanDerWaalsContact NH1-OD1 3.07Å; R398-D735 IonicContact NH1-OD2 3.98Å; R398-D735 PolarHBondContact NH1-OD2 3.08Å; R398-D735 IonicContact NH2-OD1 3.21Å; R398-D735 IonicContact NH2-OD2 2.79Å; R398-D735 PolarHBondContact NH2-OD2 3.5Å | ||
| 399 | P | 89.9 | Confident | 70.7 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 13% | 0.13 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.5 | -42 | -175.9 | -25.5 | 34 | 0 | 0 | 0 | 112.6 | F341 V378 Y397 E401 L402 L403 I437 | F341-P399 HydrophobicContact CE1-CB 4.22Å; F341-P399 HydrophobicContact CZ-CB 4.03Å; F341-P399 HydrophobicContact CZ-CG 4.33Å; V378-P399 HydrophobicContact CG1-CB 3.89Å; V378-P399 HydrophobicContact CG1-CG 4.07Å; V378-P399 WeakPolarHBondContact O-CG 3.29Å; Y397-P399 WeakPolarHBondContact O-CD 3.48Å; P399-E401 VanDerWaalsContact C-N 3.32Å; P399-E401 PolarHBondContact O-N 3.4Å; P399-L402 PolarHBondContact O-N 3.34Å; P399-L403 VanDerWaalsContact O-CB 3.28Å; P399-L403 WeakPolarHBondContact O-CB 3.38Å; P399-L403 PolarHBondContact O-N 3.38Å; P399-I437 HydrophobicContact CB-CD1 4.17Å; P399-I437 HydrophobicContact CB-CG1 4.19Å |
| 400 | S | 91.9 | Very high | 73.4 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -41 | 177.3 | -52.3 | 0 | 0 | 0 | 0 | 112.9 | R398 C404 I437 D439 F443 | R398-S400 VanDerWaalsContact C-N 3.26Å; R398-S400 PolarHBondContact O-N 2.86Å; S400-C404 WeakPolarHBondContact O-CB 3.43Å; S400-C404 PolarHBondContact O-N 3.13Å; S400-C404 VanDerWaalsContact O-N 3.16Å; S400-I437 WeakPolarHBondContact OG-CG2 3.33Å; S400-D439 PolarHBondContact OG-O 3.06Å; S400-F443 WeakPolarHBondContact O-CD2 3.28Å |
| 401 | E | 90.5 | Very high | 75.6 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.4 | -50.1 | 178.4 | -174.4 | -172.1 | 167.2 | 0 | 0 | 110.7 | R398 P399 L403 C404 R405 Y446 | R398-E401 HydrophobicContact CB-CB 3.77Å; R398-E401 WeakPolarHBondContact O-CB 3.42Å; R398-E401 PolarHBondContact O-N 3.31Å; P399-E401 VanDerWaalsContact C-N 3.32Å; P399-E401 PolarHBondContact O-N 3.4Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.54Å; E401-C404 PolarHBondContact O-N 2.96Å; E401-C404 VanDerWaalsContact O-N 3.16Å; E401-R405 HydrophobicContact CG-CG 4.29Å; E401-R405 WeakPolarHBondContact O-CG 3.43Å; E401-R405 PolarHBondContact O-N 3.14Å; E401-R405 IonicContact OE1-CZ 3.05Å; E401-R405 IonicContact OE1-NE 3.92Å; E401-R405 PolarHBondContact OE1-NE 3.19Å; E401-R405 IonicContact OE1-NH2 2.8Å; E401-R405 PolarHBondContact OE1-NH2 3.18Å; E401-Y446 HydrophobicContact CB-CD2 4.1Å; E401-Y446 HydrophobicContact CB-CE1 4.44Å; E401-Y446 HydrophobicContact CB-CE2 3.75Å; E401-Y446 HydrophobicContact CG-CD1 4.23Å; E401-Y446 HydrophobicContact CG-CD2 4.44Å; E401-Y446 HydrophobicContact CG-CE1 3.85Å; E401-Y446 HydrophobicContact CG-CE2 4.08Å |
| 402 | L | 91.9 | Very high | 78 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | -178.1 | -67.3 | 178 | 0 | 0 | 0 | 111.6 | T337 Q338 F341 R398 P399 R405 Y406 | T337-L402 HydrophobicContact CG2-CD1 4.45Å; T337-L402 HydrophobicContact CG2-CD2 4.26Å; Q338-L402 HydrophobicContact CB-CD2 4.18Å; F341-L402 HydrophobicContact CB-CD1 4.15Å; F341-L402 HydrophobicContact CD1-CB 3.87Å; F341-L402 HydrophobicContact CD1-CD1 3.87Å; F341-L402 HydrophobicContact CD2-CD1 4.12Å; F341-L402 HydrophobicContact CE1-CB 4.31Å; F341-L402 HydrophobicContact CE1-CD1 4.28Å; F341-L402 HydrophobicContact CE2-CD1 4.48Å; F341-L402 HydrophobicContact CG-CB 4.5Å; F341-L402 HydrophobicContact CG-CD1 3.79Å; R398-L402 PolarHBondContact O-N 2.9Å; P399-L402 PolarHBondContact O-N 3.34Å; L402-R405 PolarHBondContact O-N 2.95Å; L402-Y406 WeakPolarHBondContact O-CB 3.38Å; L402-Y406 PolarHBondContact O-N 3.42Å |
| 403 | L | 94.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 175 | 177.4 | 69.5 | 0 | 0 | 0 | 111.1 | I342 P399 E401 R405 Y406 M407 F434 I437 F443 | I342-L403 HydrophobicContact CD1-CB 3.94Å; I342-L403 HydrophobicContact CD1-CD1 3.57Å; I342-L403 HydrophobicContact CD1-CG 4.37Å; I342-L403 HydrophobicContact CG1-CD1 4.24Å; P399-L403 VanDerWaalsContact O-CB 3.28Å; P399-L403 WeakPolarHBondContact O-CB 3.38Å; P399-L403 PolarHBondContact O-N 3.38Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.54Å; L403-R405 PolarHBondContact O-N 2.92Å; L403-Y406 PolarHBondContact O-N 3.33Å; L403-M407 HydrophobicContact CD1-CG 4.42Å; L403-M407 HydrophobicContact CD1-SD 4.33Å; L403-M407 HydrophobicContact CG-SD 4.17Å; L403-M407 WeakPolarHBondContact O-CG 3.49Å; L403-M407 PolarHBondContact O-N 3.38Å; L403-F434 HydrophobicContact CD2-CB 3.64Å; L403-F434 HydrophobicContact CD2-CD2 3.92Å; L403-F434 HydrophobicContact CD2-CG 4.22Å; L403-I437 HydrophobicContact CB-CD1 4.03Å; L403-I437 HydrophobicContact CD2-CD1 3.47Å; L403-I437 VanDerWaalsContact CD2-CD1 3.47Å; L403-I437 HydrophobicContact CG-CD1 4.37Å; L403-F443 HydrophobicContact CB-CD2 4.48Å; L403-F443 HydrophobicContact CB-CE2 4.38Å; L403-F443 HydrophobicContact CD2-CD2 3.86Å; L403-F443 HydrophobicContact CD2-CE2 3.61Å; L403-F443 HydrophobicContact CD2-CZ 4.46Å; L403-F443 HydrophobicContact CG-CD2 4.28Å; L403-F443 HydrophobicContact CG-CE2 3.82Å |
| 404 | C | 93.7 | Very high | 81.8 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | -178.6 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | S400 E401 Y406 M407 D408 F443 Y447 | S400-C404 WeakPolarHBondContact O-CB 3.43Å; S400-C404 PolarHBondContact O-N 3.13Å; S400-C404 VanDerWaalsContact O-N 3.16Å; E401-C404 PolarHBondContact O-N 2.96Å; E401-C404 VanDerWaalsContact O-N 3.16Å; C404-Y406 VanDerWaalsContact C-N 3.33Å; C404-Y406 PolarHBondContact O-N 2.77Å; C404-M407 PolarHBondContact O-N 2.94Å; C404-D408 WeakPolarHBondContact O-CB 3.45Å; C404-D408 PolarHBondContact O-N 2.95Å; C404-F443 HydrophobicContact CB-CD2 3.95Å; C404-F443 HydrophobicContact CB-CE2 3.87Å; C404-Y447 WeakPolarHBondContact SG-CA 3.28Å; C404-Y447 PolarHBondContact SG-N 3.4Å |
| 405 | R | 92 | Very high | 83.2 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 9% | 0.087 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.2 | -34.4 | 178.2 | -64.1 | 180 | 176.7 | -106.2 | -2.1 | 112.5 | E401 L402 L403 D408 S409 N727 | E401-R405 HydrophobicContact CG-CG 4.29Å; E401-R405 WeakPolarHBondContact O-CG 3.43Å; E401-R405 PolarHBondContact O-N 3.14Å; E401-R405 IonicContact OE1-CZ 3.05Å; E401-R405 IonicContact OE1-NE 3.92Å; E401-R405 PolarHBondContact OE1-NE 3.19Å; E401-R405 IonicContact OE1-NH2 2.8Å; E401-R405 PolarHBondContact OE1-NH2 3.18Å; L402-R405 PolarHBondContact O-N 2.95Å; L403-R405 PolarHBondContact O-N 2.92Å; R405-D408 PolarHBondContact O-N 3.45Å; R405-S409 WeakPolarHBondContact O-CB 3.27Å; R405-S409 PolarHBondContact O-N 3.36Å; R405-N727 PolarHBondContact NH1-ND2 3.08Å; R405-N727 PolarHBondContact NH1-OD1 3.2Å; R405-N727 VanDerWaalsContact NH2-CB 3.34Å; R405-N727 VanDerWaalsContact NH2-CG 3.27Å; R405-N727 PolarHBondContact NH2-OD1 2.77Å |
| 406 | Y | 93.4 | Very high | 84.7 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -51.6 | 172.9 | 175.4 | -104.9 | 0 | 0 | 0 | 111.6 | V339 I342 E343 L402 L403 C404 D408 S409 L410 S430 | V339-Y406 HydrophobicContact CB-CD2 4.47Å; V339-Y406 HydrophobicContact CG1-CE2 4.29Å; V339-Y406 HydrophobicContact CG2-CD2 4.18Å; V339-Y406 HydrophobicContact CG2-CE2 4.44Å; I342-Y406 HydrophobicContact CB-CD1 3.88Å; I342-Y406 HydrophobicContact CB-CD2 4.37Å; I342-Y406 HydrophobicContact CB-CE1 4.12Å; I342-Y406 HydrophobicContact CB-CG 4Å; I342-Y406 HydrophobicContact CG1-CD1 3.92Å; I342-Y406 HydrophobicContact CG1-CG 3.86Å; I342-Y406 HydrophobicContact CG2-CD1 3.6Å; I342-Y406 HydrophobicContact CG2-CE1 3.54Å; I342-Y406 HydrophobicContact CG2-CG 4.25Å; E343-Y406 HydrophobicContact CG-CE2 4.44Å; L402-Y406 WeakPolarHBondContact O-CB 3.38Å; L402-Y406 PolarHBondContact O-N 3.42Å; L403-Y406 PolarHBondContact O-N 3.33Å; C404-Y406 VanDerWaalsContact C-N 3.33Å; C404-Y406 PolarHBondContact O-N 2.77Å; Y406-D408 VanDerWaalsContact C-N 3.28Å; Y406-D408 PolarHBondContact O-N 2.67Å; Y406-S409 WeakPolarHBondContact O-CB 3.3Å; Y406-S409 PolarHBondContact O-N 3.06Å; Y406-S409 VanDerWaalsContact O-N 3.1Å; Y406-L410 HydrophobicContact CD1-CD1 4.15Å; Y406-L410 HydrophobicContact CE1-CD1 3.57Å; Y406-L410 HydrophobicContact CE1-CG 4.27Å; Y406-L410 PolarHBondContact O-N 3.49Å; Y406-S430 VanDerWaalsContact CE1-OG 3.32Å; Y406-S430 WeakPolarHBondContact CE1-OG 3.48Å |
| 407 | M | 93.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 177 | -67.7 | 177.3 | 71.6 | 0 | 0 | 111.8 | L403 C404 L410 L411 L427 I431 F443 Y447 V469 | L403-M407 HydrophobicContact CD1-CG 4.42Å; L403-M407 HydrophobicContact CD1-SD 4.33Å; L403-M407 HydrophobicContact CG-SD 4.17Å; L403-M407 WeakPolarHBondContact O-CG 3.49Å; L403-M407 PolarHBondContact O-N 3.38Å; C404-M407 PolarHBondContact O-N 2.94Å; M407-L410 WeakPolarHBondContact O-CB 3.46Å; M407-L410 PolarHBondContact O-N 3.48Å; M407-L411 WeakPolarHBondContact O-CG 3.41Å; M407-L411 PolarHBondContact O-N 3.25Å; M407-L427 HydrophobicContact CB-CD2 4.09Å; M407-L427 HydrophobicContact CE-CD2 4.08Å; M407-L427 HydrophobicContact CG-CD2 4.19Å; M407-I431 HydrophobicContact CE-CG1 4.39Å; M407-F443 HydrophobicContact SD-CE2 3.94Å; M407-F443 HydrophobicContact SD-CZ 3.73Å; M407-Y447 HydrophobicContact CE-CE2 4.46Å; M407-V469 HydrophobicContact CE-CG1 3.56Å |
| 408 | D | 90.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.2 | -32 | 177.2 | 176.5 | 46.9 | 0 | 0 | 0 | 112.5 | C404 R405 Y406 R412 M450 R454 | C404-D408 WeakPolarHBondContact O-CB 3.45Å; C404-D408 PolarHBondContact O-N 2.95Å; R405-D408 PolarHBondContact O-N 3.45Å; Y406-D408 VanDerWaalsContact C-N 3.28Å; Y406-D408 PolarHBondContact O-N 2.67Å; D408-R412 WeakPolarHBondContact O-CB 3.46Å; D408-R412 WeakPolarHBondContact O-CG 3.22Å; D408-R412 PolarHBondContact O-N 3.44Å; D408-R412 VanDerWaalsContact O-N 3.08Å; D408-R412 PolarHBondContact O-NE 3.29Å; D408-R412 IonicContact OD1-CZ 2.76Å; D408-R412 VanDerWaalsContact OD1-CZ 3.27Å; D408-R412 IonicContact OD1-NE 3.8Å; D408-R412 IonicContact OD1-NH1 3.38Å; D408-R412 PolarHBondContact OD1-NH1 3.32Å; D408-R412 IonicContact OD1-NH2 2.73Å; D408-R412 IonicContact OD2-CZ 2.74Å; D408-R412 IonicContact OD2-NE 3.5Å; D408-R412 IonicContact OD2-NH1 2.59Å; D408-R412 PolarHBondContact OD2-NH1 2.84Å; D408-R412 IonicContact OD2-NH2 3.8Å; D408-R412 PolarHBondContact OD2-NH2 2.93Å; D408-M450 HydrophobicContact CB-CB 4.29Å; D408-M450 HydrophobicContact CB-CG 4.46Å; D408-M450 WeakPolarHBondContact OD2-CG 3.43Å; D408-M450 VanDerWaalsContact OD2-SD 3.33Å; D408-R454 WeakPolarHBondContact OD1-CD 3.45Å; D408-R454 IonicContact OD1-CZ 3.89Å; D408-R454 IonicContact OD1-NE 3.39Å; D408-R454 IonicContact OD1-NH1 3.87Å; D408-R454 PolarHBondContact OD1-NH1 3.45Å |
| 409 | S | 89.2 | Confident | 86.5 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 169.8 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | R405 Y406 R412 K413 | R405-S409 WeakPolarHBondContact O-CB 3.27Å; R405-S409 PolarHBondContact O-N 3.36Å; Y406-S409 WeakPolarHBondContact O-CB 3.3Å; Y406-S409 PolarHBondContact O-N 3.06Å; Y406-S409 VanDerWaalsContact O-N 3.1Å; S409-R412 PolarHBondContact O-N 3.35Å; S409-K413 WeakPolarHBondContact O-CB 3.4Å; S409-K413 PolarHBondContact O-N 3.22Å |
| 410 | L | 89.9 | Confident | 86.3 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -53.7 | 172 | -67.6 | 176.2 | 0 | 0 | 0 | 109.7 | Y406 M407 R412 S414 M418 T423 K426 L427 | Y406-L410 HydrophobicContact CD1-CD1 4.15Å; Y406-L410 HydrophobicContact CE1-CD1 3.57Å; Y406-L410 HydrophobicContact CE1-CG 4.27Å; Y406-L410 PolarHBondContact O-N 3.49Å; M407-L410 WeakPolarHBondContact O-CB 3.46Å; M407-L410 PolarHBondContact O-N 3.48Å; L410-R412 PolarHBondContact O-N 3Å; L410-R412 VanDerWaalsContact O-N 3.13Å; L410-S414 WeakPolarHBondContact O-CB 3.31Å; L410-S414 PolarHBondContact O-N 3.42Å; L410-S414 VanDerWaalsContact O-N 3.08Å; L410-S414 PolarHBondContact O-OG 2.92Å; L410-M418 HydrophobicContact CD2-CE 4.12Å; L410-M418 HydrophobicContact CD2-SD 4.1Å; L410-T423 HydrophobicContact CB-CG2 4.27Å; L410-K426 HydrophobicContact CD1-CB 3.85Å; L410-K426 HydrophobicContact CD2-CD 4.14Å; L410-L427 HydrophobicContact CB-CD2 4.43Å; L410-L427 HydrophobicContact CD1-CD2 4.12Å; L410-L427 HydrophobicContact CD1-CG 4.28Å |
| 411 | L | 88.3 | Confident | 86.1 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -24 | -177.6 | -68.3 | 165.5 | 0 | 0 | 0 | 114.4 | M407 L427 I462 L465 | M407-L411 WeakPolarHBondContact O-CG 3.41Å; M407-L411 PolarHBondContact O-N 3.25Å; L411-L427 HydrophobicContact CD2-CD1 3.98Å; L411-L427 HydrophobicContact CG-CD2 4.46Å; L411-I462 VanDerWaalsContact O-CD1 3.28Å; L411-I462 WeakPolarHBondContact O-CD1 3.43Å; L411-L465 HydrophobicContact CD2-CB 3.94Å |
| 412 | R | 83.9 | Confident | 86.2 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -95.1 | -41.3 | 178.5 | -71.4 | -171.5 | -60.6 | -121.2 | -8.7 | 115.5 | D408 S409 L410 R454 | D408-R412 WeakPolarHBondContact O-CB 3.46Å; D408-R412 WeakPolarHBondContact O-CG 3.22Å; D408-R412 PolarHBondContact O-N 3.44Å; D408-R412 VanDerWaalsContact O-N 3.08Å; D408-R412 PolarHBondContact O-NE 3.29Å; D408-R412 IonicContact OD1-CZ 2.76Å; D408-R412 VanDerWaalsContact OD1-CZ 3.27Å; D408-R412 IonicContact OD1-NE 3.8Å; D408-R412 IonicContact OD1-NH1 3.38Å; D408-R412 PolarHBondContact OD1-NH1 3.32Å; D408-R412 IonicContact OD1-NH2 2.73Å; D408-R412 IonicContact OD2-CZ 2.74Å; D408-R412 IonicContact OD2-NE 3.5Å; D408-R412 IonicContact OD2-NH1 2.59Å; D408-R412 PolarHBondContact OD2-NH1 2.84Å; D408-R412 IonicContact OD2-NH2 3.8Å; D408-R412 PolarHBondContact OD2-NH2 2.93Å; S409-R412 PolarHBondContact O-N 3.35Å; L410-R412 PolarHBondContact O-N 3Å; L410-R412 VanDerWaalsContact O-N 3.13Å; R412-R454 HydrophobicContact CG-CG 4.13Å |
| 413 | K | 76.9 | Confident | 86 | Confident | 132 Ų | 132 | 53.2 Ų | 53.2 | 57% | 0.574 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -102.1 | -25 | -168.8 | -63.5 | -178.2 | -179.2 | 176.1 | 0 | 113 | S409 V415 K416 | S409-K413 WeakPolarHBondContact O-CB 3.4Å; S409-K413 PolarHBondContact O-N 3.22Å; K413-V415 VanDerWaalsContact C-N 3.29Å; K413-V415 PolarHBondContact O-N 3.11Å; K413-K416 PolarHBondContact O-N 3.26Å |
| 414 | S | 73.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -59.7 | -33.5 | -171.7 | 61.2 | 0 | 0 | 0 | 0 | 114.2 | L410 K416 T417 M418 T423 | L410-S414 WeakPolarHBondContact O-CB 3.31Å; L410-S414 PolarHBondContact O-N 3.42Å; L410-S414 VanDerWaalsContact O-N 3.08Å; L410-S414 PolarHBondContact O-OG 2.92Å; S414-K416 PolarHBondContact O-N 3.47Å; S414-T417 PolarHBondContact O-N 3.27Å; S414-T417 PolarHBondContact O-OG1 3.47Å; S414-M418 VanDerWaalsContact CB-CG 3.46Å; S414-M418 VanDerWaalsContact CB-SD 3.58Å; S414-M418 WeakPolarHBondContact O-CG 3.3Å; S414-M418 PolarHBondContact O-N 3.5Å; S414-T423 WeakPolarHBondContact CB-OG1 3.49Å |
| 415 | V | 69.2 | Low | 85.8 | Confident | 80 Ų | 80 | 61 Ų | 61 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -52.1 | -27.3 | -176.2 | -171.5 | 0 | 0 | 0 | 0 | 112.9 | K413 I462 | K413-V415 VanDerWaalsContact C-N 3.29Å; K413-V415 PolarHBondContact O-N 3.11Å; V415-I462 HydrophobicContact CG2-CD1 3.19Å; V415-I462 HydrophobicContact CG2-CG1 3.6Å |
| 416 | K | 73.8 | Confident | 85.9 | Confident | 199 Ų | 199 | 63.3 Ų | 63.3 | 87% | 0.865 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -92.7 | -19.2 | 179.8 | -64 | -175 | 179.7 | -177.2 | 0 | 114.3 | K413 S414 | K413-K416 PolarHBondContact O-N 3.26Å; S414-K416 PolarHBondContact O-N 3.47Å |
| 417 | T | 79.3 | Confident | 85.9 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 66% | 0.663 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -24.8 | -165.9 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | S414 | S414-T417 PolarHBondContact O-N 3.27Å; S414-T417 PolarHBondContact O-OG1 3.47Å |
| 418 | M | 83.8 | Confident | 85.9 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -145.9 | 160.8 | -173.3 | 58.4 | -176.9 | 73 | 0 | 0 | 110.8 | L410 S414 E422 T423 | L410-M418 HydrophobicContact CD2-CE 4.12Å; L410-M418 HydrophobicContact CD2-SD 4.1Å; S414-M418 VanDerWaalsContact CB-CG 3.46Å; S414-M418 VanDerWaalsContact CB-SD 3.58Å; S414-M418 WeakPolarHBondContact O-CG 3.3Å; S414-M418 PolarHBondContact O-N 3.5Å; M418-E422 HydrophobicContact CB-CB 4.47Å; M418-T423 WeakPolarHBondContact CG-OG1 3.5Å; M418-T423 PolarHBondContact SD-OG1 2.93Å |
| 419 | T | 87.2 | Confident | 86.1 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | trans | -73.2 | 160.9 | 177.9 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | S421 E422 T423 | T419-S421 VanDerWaalsContact C-N 3.3Å; T419-S421 PolarHBondContact O-N 2.74Å; T419-E422 PolarHBondContact N-OE2 3.26Å; T419-E422 PolarHBondContact O-N 3.28Å; T419-E422 WeakPolarHBondContact OG1-CB 3.34Å; T419-E422 WeakPolarHBondContact OG1-CG 3.49Å; T419-E422 PolarHBondContact OG1-N 3.41Å; T419-E422 PolarHBondContact OG1-OE2 2.99Å; T419-T423 PolarHBondContact O-N 2.96Å; T419-T423 PolarHBondContact O-OG1 3.4Å | ||
| 420 | I | 85.5 | Confident | 86.3 | Confident | 109 Ų | 109 | 67 Ų | 67 | 56% | 0.559 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 177.1 | -63.1 | 173.5 | 0 | 0 | 0 | 110.6 | T423 E424 L465 | I420-T423 WeakPolarHBondContact O-CB 3.48Å; I420-T423 PolarHBondContact O-N 3.16Å; I420-E424 PolarHBondContact O-N 3.38Å; I420-L465 HydrophobicContact CG2-CD1 4.15Å; I420-L465 HydrophobicContact CG2-CD2 3.81Å; I420-L465 HydrophobicContact CG2-CG 4.06Å |
| 421 | S | 88.5 | Confident | 86.5 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | -179.6 | -178.3 | 0 | 0 | 0 | 0 | 113.2 | T419 T423 E424 T425 | T419-S421 VanDerWaalsContact C-N 3.3Å; T419-S421 PolarHBondContact O-N 2.74Å; S421-T423 VanDerWaalsContact C-N 3.31Å; S421-T423 PolarHBondContact O-N 3.08Å; S421-E424 PolarHBondContact O-N 2.75Å; S421-T425 PolarHBondContact O-N 2.95Å; S421-T425 PolarHBondContact O-OG1 3.45Å |
| 422 | E | 90.7 | Very high | 86.7 | Confident | 104 Ų | 104 | 67.4 Ų | 67.4 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 173.5 | -72.1 | 164.7 | 150.6 | 0 | 0 | 111.3 | M418 T419 T425 K426 | M418-E422 HydrophobicContact CB-CB 4.47Å; T419-E422 PolarHBondContact N-OE2 3.26Å; T419-E422 PolarHBondContact O-N 3.28Å; T419-E422 WeakPolarHBondContact OG1-CB 3.34Å; T419-E422 WeakPolarHBondContact OG1-CG 3.49Å; T419-E422 PolarHBondContact OG1-N 3.41Å; T419-E422 PolarHBondContact OG1-OE2 2.99Å; E422-T425 PolarHBondContact O-N 3.16Å; E422-K426 PolarHBondContact O-N 3.05Å |
| 423 | T | 89.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 176.3 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | L410 S414 M418 T419 I420 S421 T425 K426 L427 L465 | L410-T423 HydrophobicContact CB-CG2 4.27Å; S414-T423 WeakPolarHBondContact CB-OG1 3.49Å; M418-T423 WeakPolarHBondContact CG-OG1 3.5Å; M418-T423 PolarHBondContact SD-OG1 2.93Å; T419-T423 PolarHBondContact O-N 2.96Å; T419-T423 PolarHBondContact O-OG1 3.4Å; I420-T423 WeakPolarHBondContact O-CB 3.48Å; I420-T423 PolarHBondContact O-N 3.16Å; S421-T423 VanDerWaalsContact C-N 3.31Å; S421-T423 PolarHBondContact O-N 3.08Å; T423-T425 VanDerWaalsContact C-N 3.34Å; T423-T425 PolarHBondContact O-N 2.88Å; T423-K426 PolarHBondContact O-N 2.86Å; T423-L427 HydrophobicContact CG2-CD1 4Å; T423-L427 VanDerWaalsContact O-CG 3.26Å; T423-L427 WeakPolarHBondContact O-CG 3.43Å; T423-L427 PolarHBondContact O-N 3.24Å; T423-L465 HydrophobicContact CG2-CD1 3.76Å |
| 424 | E | 91.2 | Very high | 88 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.2 | -174.7 | 166.9 | -146.3 | 0 | 0 | 111.6 | I420 S421 K426 L427 T428 L465 S468 | I420-E424 PolarHBondContact O-N 3.38Å; S421-E424 PolarHBondContact O-N 2.75Å; E424-K426 PolarHBondContact O-N 2.69Å; E424-L427 WeakPolarHBondContact O-CB 3.28Å; E424-L427 PolarHBondContact O-N 2.86Å; E424-L427 VanDerWaalsContact O-N 3.1Å; E424-T428 PolarHBondContact O-N 3.17Å; E424-T428 PolarHBondContact O-OG1 3.33Å; E424-L465 HydrophobicContact CB-CD2 3.95Å; E424-L465 HydrophobicContact CG-CD2 4.43Å; E424-S468 PolarHBondContact OE1-OG 2.85Å |
| 425 | T | 92.6 | Very high | 88.9 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 56% | 0.564 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60 | -44.7 | 177 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | S421 E422 T423 L427 T428 A429 | S421-T425 PolarHBondContact O-N 2.95Å; S421-T425 PolarHBondContact O-OG1 3.45Å; E422-T425 PolarHBondContact O-N 3.16Å; T423-T425 VanDerWaalsContact C-N 3.34Å; T423-T425 PolarHBondContact O-N 2.88Å; T425-L427 VanDerWaalsContact C-N 3.33Å; T425-L427 PolarHBondContact O-N 3.3Å; T425-T428 PolarHBondContact O-N 3.18Å; T425-A429 WeakPolarHBondContact O-CB 3.45Å; T425-A429 PolarHBondContact O-N 2.88Å |
| 426 | K | 92.8 | Very high | 90 | Very high | 72 Ų | 72 | 58.3 Ų | 58.3 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 174.7 | -77.1 | -166.4 | 170 | -155.8 | 0 | 112.3 | E343 L410 E422 T423 E424 S430 | E343-K426 IonicContact OE1-NZ 3.87Å; E343-K426 PolarHBondContact OE1-NZ 3.05Å; L410-K426 HydrophobicContact CD1-CB 3.85Å; L410-K426 HydrophobicContact CD2-CD 4.14Å; E422-K426 PolarHBondContact O-N 3.05Å; T423-K426 PolarHBondContact O-N 2.86Å; E424-K426 PolarHBondContact O-N 2.69Å; K426-S430 WeakPolarHBondContact O-CB 3.43Å; K426-S430 PolarHBondContact O-N 3.43Å; K426-S430 PolarHBondContact O-OG 3.4Å |
| 427 | L | 93.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 176.3 | -72.7 | 164.3 | 0 | 0 | 0 | 111.4 | M407 L410 L411 T423 E424 T425 A429 S430 I431 L465 V469 | M407-L427 HydrophobicContact CB-CD2 4.09Å; M407-L427 HydrophobicContact CE-CD2 4.08Å; M407-L427 HydrophobicContact CG-CD2 4.19Å; L410-L427 HydrophobicContact CB-CD2 4.43Å; L410-L427 HydrophobicContact CD1-CD2 4.12Å; L410-L427 HydrophobicContact CD1-CG 4.28Å; L411-L427 HydrophobicContact CD2-CD1 3.98Å; L411-L427 HydrophobicContact CG-CD2 4.46Å; T423-L427 HydrophobicContact CG2-CD1 4Å; T423-L427 VanDerWaalsContact O-CG 3.26Å; T423-L427 WeakPolarHBondContact O-CG 3.43Å; T423-L427 PolarHBondContact O-N 3.24Å; E424-L427 WeakPolarHBondContact O-CB 3.28Å; E424-L427 PolarHBondContact O-N 2.86Å; E424-L427 VanDerWaalsContact O-N 3.1Å; T425-L427 VanDerWaalsContact C-N 3.33Å; T425-L427 PolarHBondContact O-N 3.3Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 3.09Å; L427-S430 VanDerWaalsContact O-CB 3.31Å; L427-S430 WeakPolarHBondContact O-CB 3.35Å; L427-S430 PolarHBondContact O-N 3.38Å; L427-S430 VanDerWaalsContact O-N 3.15Å; L427-I431 WeakPolarHBondContact O-CG1 3.44Å; L427-I431 PolarHBondContact O-N 3.02Å; L427-L465 HydrophobicContact CD1-CD1 4.43Å; L427-V469 HydrophobicContact CB-CG2 4.16Å; L427-V469 HydrophobicContact CD1-CG2 3.69Å; L427-V469 HydrophobicContact CD2-CG2 4Å; L427-V469 HydrophobicContact CG-CG2 4.16Å |
| 428 | T | 94.4 | Very high | 91.2 | Very high | 67 Ų | 67 | 46.5 Ų | 46.5 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | E424 T425 S430 I431 A432 Q472 | E424-T428 PolarHBondContact O-N 3.17Å; E424-T428 PolarHBondContact O-OG1 3.33Å; T425-T428 PolarHBondContact O-N 3.18Å; T428-S430 VanDerWaalsContact C-N 3.34Å; T428-S430 PolarHBondContact O-N 2.92Å; T428-I431 WeakPolarHBondContact O-CB 3.39Å; T428-I431 PolarHBondContact O-N 3.4Å; T428-A432 PolarHBondContact O-N 2.93Å; T428-Q472 PolarHBondContact OG1-NE2 2.97Å; T428-Q472 VanDerWaalsContact OG1-NE2 3.16Å; T428-Q472 PolarHBondContact OG1-OE1 3.38Å |
| 429 | A | 94.3 | Very high | 91.5 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -41.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L346 T425 L427 I431 A432 I433 | L346-A429 HydrophobicContact CD1-CB 4.02Å; L346-A429 HydrophobicContact CD2-CB 3.79Å; L346-A429 WeakPolarHBondContact CD2-O 3.45Å; T425-A429 WeakPolarHBondContact O-CB 3.45Å; T425-A429 PolarHBondContact O-N 2.88Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 3.09Å; A429-I431 PolarHBondContact O-N 3.43Å; A429-A432 WeakPolarHBondContact O-CA 3.25Å; A429-A432 VanDerWaalsContact O-CB 3.23Å; A429-A432 WeakPolarHBondContact O-CB 3.49Å; A429-A432 PolarHBondContact O-N 3.21Å; A429-I433 PolarHBondContact O-N 3.45Å |
| 430 | S | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -35.6 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | Y406 K426 L427 T428 A432 I433 F434 | Y406-S430 VanDerWaalsContact CE1-OG 3.32Å; Y406-S430 WeakPolarHBondContact CE1-OG 3.48Å; K426-S430 WeakPolarHBondContact O-CB 3.43Å; K426-S430 PolarHBondContact O-N 3.43Å; K426-S430 PolarHBondContact O-OG 3.4Å; L427-S430 VanDerWaalsContact O-CB 3.31Å; L427-S430 WeakPolarHBondContact O-CB 3.35Å; L427-S430 PolarHBondContact O-N 3.38Å; L427-S430 VanDerWaalsContact O-N 3.15Å; T428-S430 VanDerWaalsContact C-N 3.34Å; T428-S430 PolarHBondContact O-N 2.92Å; S430-A432 VanDerWaalsContact C-N 3.27Å; S430-A432 PolarHBondContact O-N 3.32Å; S430-I433 WeakPolarHBondContact O-CB 3.49Å; S430-I433 PolarHBondContact O-N 3.36Å; S430-I433 VanDerWaalsContact O-N 3.14Å; S430-F434 PolarHBondContact O-N 3.35Å |
| 431 | I | 93.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -25.8 | 175.3 | -68.8 | 175.7 | 0 | 0 | 0 | 112 | M407 L427 T428 A429 F434 K435 Q472 L473 V476 | M407-I431 HydrophobicContact CE-CG1 4.39Å; L427-I431 WeakPolarHBondContact O-CG1 3.44Å; L427-I431 PolarHBondContact O-N 3.02Å; T428-I431 WeakPolarHBondContact O-CB 3.39Å; T428-I431 PolarHBondContact O-N 3.4Å; A429-I431 PolarHBondContact O-N 3.43Å; I431-F434 WeakPolarHBondContact O-CB 3.42Å; I431-F434 PolarHBondContact O-N 2.89Å; I431-K435 PolarHBondContact O-N 3.16Å; I431-Q472 HydrophobicContact CD1-CB 3.29Å; I431-Q472 HydrophobicContact CD1-CG 4.28Å; I431-L473 HydrophobicContact CD1-CD2 4.49Å; I431-L473 HydrophobicContact CD1-CG 4.46Å; I431-L473 HydrophobicContact CG1-CD2 4.42Å; I431-V476 HydrophobicContact CG2-CG2 3.7Å |
| 432 | A | 92.2 | Very high | 92 | Very high | 21 Ų | 21 | 35.4 Ų | 35.4 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.7 | -39.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T428 A429 S430 K435 | T428-A432 PolarHBondContact O-N 2.93Å; A429-A432 WeakPolarHBondContact O-CA 3.25Å; A429-A432 VanDerWaalsContact O-CB 3.23Å; A429-A432 WeakPolarHBondContact O-CB 3.49Å; A429-A432 PolarHBondContact O-N 3.21Å; S430-A432 VanDerWaalsContact C-N 3.27Å; S430-A432 PolarHBondContact O-N 3.32Å; A432-K435 WeakPolarHBondContact O-CB 3.34Å; A432-K435 PolarHBondContact O-N 2.95Å |
| 433 | I | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -38 | 174 | -58.5 | -54.8 | 0 | 0 | 0 | 111.4 | I342 L345 L346 A429 S430 K435 Y436 | I342-I433 HydrophobicContact CD1-CG2 4.11Å; L345-I433 HydrophobicContact CB-CD1 3.83Å; L345-I433 HydrophobicContact CB-CG1 4.49Å; L345-I433 HydrophobicContact CD1-CG2 4.05Å; L346-I433 HydrophobicContact CD2-CD1 3.88Å; L346-I433 HydrophobicContact CD2-CG1 3.64Å; L346-I433 HydrophobicContact CG-CD1 4.3Å; L346-I433 HydrophobicContact CG-CG1 3.98Å; A429-I433 PolarHBondContact O-N 3.45Å; S430-I433 WeakPolarHBondContact O-CB 3.49Å; S430-I433 PolarHBondContact O-N 3.36Å; S430-I433 VanDerWaalsContact O-N 3.14Å; I433-K435 PolarHBondContact O-N 3.07Å; I433-Y436 HydrophobicContact CD1-CD2 4.38Å; I433-Y436 HydrophobicContact CD1-CE2 4.47Å; I433-Y436 WeakPolarHBondContact O-CB 3.32Å; I433-Y436 PolarHBondContact O-N 3.34Å |
| 434 | F | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.6 | -34.5 | 175.9 | 176.6 | -119.8 | 0 | 0 | 0 | 113.4 | L403 S430 I431 Y436 I437 K440 F443 L473 V476 C477 F481 | L403-F434 HydrophobicContact CD2-CB 3.64Å; L403-F434 HydrophobicContact CD2-CD2 3.92Å; L403-F434 HydrophobicContact CD2-CG 4.22Å; S430-F434 PolarHBondContact O-N 3.35Å; I431-F434 WeakPolarHBondContact O-CB 3.42Å; I431-F434 PolarHBondContact O-N 2.89Å; F434-Y436 PolarHBondContact O-N 2.74Å; F434-I437 PolarHBondContact O-N 3.21Å; F434-K440 HydrophobicContact CE2-CB 4.31Å; F434-K440 HydrophobicContact CE2-CG 4.11Å; F434-K440 HydrophobicContact CZ-CB 4.26Å; F434-K440 HydrophobicContact CZ-CD 4.38Å; F434-K440 HydrophobicContact CZ-CG 4.1Å; F434-F443 HydrophobicContact CD2-CD1 4.03Å; F434-F443 HydrophobicContact CD2-CD2 4.22Å; F434-F443 HydrophobicContact CD2-CE1 4.29Å; F434-F443 HydrophobicContact CD2-CE2 4.47Å; F434-F443 AromaticContact CD2-CG 3.99Å; F434-F443 HydrophobicContact CD2-CG 3.99Å; F434-F443 HydrophobicContact CD2-CZ 4.5Å; F434-F443 HydrophobicContact CE2-CB 3.99Å; F434-F443 AromaticContact CE2-CD1 3.48Å; F434-F443 HydrophobicContact CE2-CD1 3.48Å; F434-F443 VanDerWaalsContact CE2-CD1 3.48Å; F434-F443 HydrophobicContact CE2-CD2 4.35Å; F434-F443 HydrophobicContact CE2-CE1 4.03Å; F434-F443 AromaticContact CE2-CG 3.67Å; F434-F443 HydrophobicContact CE2-CG 3.67Å; F434-F443 HydrophobicContact CZ-CD1 4.08Å; F434-F443 HydrophobicContact CZ-CE1 4.46Å; F434-L473 HydrophobicContact CD1-CD2 3.86Å; F434-L473 HydrophobicContact CE1-CD2 3.73Å; F434-L473 HydrophobicContact CG-CD2 4.48Å; F434-L473 HydrophobicContact CZ-CD2 4.3Å; F434-V476 HydrophobicContact CD1-CG1 4.21Å; F434-V476 HydrophobicContact CE1-CG1 4.25Å; F434-C477 WeakPolarHBondContact CE1-SG 3.46Å; F434-C477 VanDerWaalsContact CZ-SG 3.56Å; F434-F481 HydrophobicContact CE2-CZ 4.42Å; F434-F481 HydrophobicContact CZ-CE1 4.03Å; F434-F481 AromaticContact CZ-CZ 3.78Å; F434-F481 HydrophobicContact CZ-CZ 3.78Å |
| 435 | K | 91.7 | Very high | 92.5 | Very high | 123 Ų | 123 | 28.5 Ų | 28.5 | 54% | 0.535 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.8 | 177 | -68.5 | 179.2 | 179.9 | -176.7 | 0 | 112.9 | I431 A432 I433 I437 V476 | I431-K435 PolarHBondContact O-N 3.16Å; A432-K435 WeakPolarHBondContact O-CB 3.34Å; A432-K435 PolarHBondContact O-N 2.95Å; I433-K435 PolarHBondContact O-N 3.07Å; K435-I437 VanDerWaalsContact C-N 3.34Å; K435-V476 HydrophobicContact CG-CG1 3.88Å |
| 436 | Y | 92.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4.3 | 178.4 | -58.6 | -48.8 | 0 | 0 | 0 | 114.5 | R349 D371 F374 N375 N379 I433 F434 | R349-Y436 PolarHBondContact NH1-OH 3.38Å; D371-Y436 HydrophobicContact CB-CE1 3.97Å; D371-Y436 VanDerWaalsContact OD1-CE1 3.3Å; D371-Y436 WeakPolarHBondContact OD1-CE1 3.42Å; D371-Y436 PolarHBondContact OD1-OH 3.3Å; F374-Y436 HydrophobicContact CB-CD1 3.72Å; F374-Y436 HydrophobicContact CB-CD2 3.77Å; F374-Y436 HydrophobicContact CB-CE1 3.63Å; F374-Y436 HydrophobicContact CB-CE2 3.64Å; F374-Y436 HydrophobicContact CB-CG 3.77Å; F374-Y436 AromaticContact CD1-CD2 3.72Å; F374-Y436 HydrophobicContact CD1-CD2 3.72Å; F374-Y436 AromaticContact CD1-CE2 3.45Å; F374-Y436 HydrophobicContact CD1-CE2 3.45Å; F374-Y436 VanDerWaalsContact CD1-CE2 3.45Å; F374-Y436 HydrophobicContact CD2-CE2 4.34Å; F374-Y436 HydrophobicContact CE1-CE2 4.19Å; F374-Y436 HydrophobicContact CG-CD2 4Å; F374-Y436 HydrophobicContact CG-CE1 4.3Å; F374-Y436 AromaticContact CG-CE2 3.55Å; F374-Y436 HydrophobicContact CG-CE2 3.55Å; F374-Y436 HydrophobicContact CG-CG 4.5Å; F374-Y436 AromaticContact CG-CZ 3.68Å; N375-Y436 VanDerWaalsContact OD1-CA 3.27Å; N375-Y436 WeakPolarHBondContact OD1-CA 3.47Å; N375-Y436 PolarHBondContact OD1-O 2.96Å; N379-Y436 PolarHBondContact ND2-O 2.95Å; I433-Y436 HydrophobicContact CD1-CD2 4.38Å; I433-Y436 HydrophobicContact CD1-CE2 4.47Å; I433-Y436 WeakPolarHBondContact O-CB 3.32Å; I433-Y436 PolarHBondContact O-N 3.34Å; F434-Y436 PolarHBondContact O-N 2.74Å |
| 437 | I | 91.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | trans | -91.7 | 126.9 | -176.1 | -63 | 179.4 | 0 | 0 | 0 | 109.9 | V378 P399 S400 L403 F434 K435 K440 | V378-I437 HydrophobicContact CG1-CG1 4.47Å; P399-I437 HydrophobicContact CB-CD1 4.17Å; P399-I437 HydrophobicContact CB-CG1 4.19Å; S400-I437 WeakPolarHBondContact OG-CG2 3.33Å; L403-I437 HydrophobicContact CB-CD1 4.03Å; L403-I437 HydrophobicContact CD2-CD1 3.47Å; L403-I437 VanDerWaalsContact CD2-CD1 3.47Å; L403-I437 HydrophobicContact CG-CD1 4.37Å; F434-I437 PolarHBondContact O-N 3.21Å; K435-I437 VanDerWaalsContact C-N 3.34Å; I437-K440 WeakPolarHBondContact O-CG 3.45Å; I437-K440 PolarHBondContact O-NZ 2.91Å | ||
| 438 | D | 88 | Confident | 92.6 | Very high | 57 Ų | 57 | 21.1 Ų | 21.1 | 31% | 0.305 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -75.7 | -47.7 | 179.6 | -72.6 | -25.6 | 0 | 0 | 0 | 112.2 | N379 K440 | N379-D438 HydrophobicContact CB-CB 4.42Å; N379-D438 VanDerWaalsContact CB-OD2 3.26Å; N379-D438 WeakPolarHBondContact CB-OD2 3.33Å; N379-D438 VanDerWaalsContact CG-CG 3.45Å; N379-D438 VanDerWaalsContact CG-OD2 3.24Å; N379-D438 PolarHBondContact ND2-N 2.93Å; N379-D438 PolarHBondContact ND2-OD1 2.96Å; N379-D438 PolarHBondContact ND2-OD2 3.48Å; N379-D438 PolarHBondContact OD1-N 2.95Å; D438-K440 VanDerWaalsContact C-N 3.3Å; D438-K440 PolarHBondContact O-N 2.63Å |
| 439 | D | 88.4 | Confident | 92.4 | Very high | 24 Ų | 24 | 18.6 Ų | 18.6 | 13% | 0.128 | 10% | 0.096 | C | C | . | . | trans | -82.1 | 70 | -177.1 | -68.4 | -50.1 | 0 | 0 | 0 | 111.4 | R381 S400 D441 L442 F443 R742 | R381-D439 IonicContact NH2-OD2 2.69Å; R381-D439 PolarHBondContact NH2-OD2 3.33Å; S400-D439 PolarHBondContact OG-O 3.06Å; D439-D441 VanDerWaalsContact C-N 3.33Å; D439-L442 HydrophobicContact CB-CB 4.21Å; D439-L442 HydrophobicContact CB-CD1 3.7Å; D439-L442 HydrophobicContact CB-CG 4.1Å; D439-L442 PolarHBondContact O-N 3.47Å; D439-F443 PolarHBondContact O-N 2.88Å; D439-R742 IonicContact OD1-CZ 2.66Å; D439-R742 IonicContact OD1-NH1 3.78Å; D439-R742 IonicContact OD1-NH2 3.7Å; D439-R742 PolarHBondContact OD1-NH2 3.44Å | ||
| 440 | K | 91.4 | Very high | 92.2 | Very high | 30 Ų | 30 | 17.6 Ų | 17.6 | 13% | 0.13 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.6 | -28.3 | -177.8 | -62.1 | 174.8 | 178.8 | 60.3 | 0 | 112.6 | F434 I437 D438 F443 Q444 F481 R776 | F434-K440 HydrophobicContact CE2-CB 4.31Å; F434-K440 HydrophobicContact CE2-CG 4.11Å; F434-K440 HydrophobicContact CZ-CB 4.26Å; F434-K440 HydrophobicContact CZ-CD 4.38Å; F434-K440 HydrophobicContact CZ-CG 4.1Å; I437-K440 WeakPolarHBondContact O-CG 3.45Å; I437-K440 PolarHBondContact O-NZ 2.91Å; D438-K440 VanDerWaalsContact C-N 3.3Å; D438-K440 PolarHBondContact O-N 2.63Å; K440-F443 WeakPolarHBondContact O-CB 3.28Å; K440-F443 PolarHBondContact O-N 2.97Å; K440-Q444 WeakPolarHBondContact O-CB 3.35Å; K440-Q444 PolarHBondContact O-N 2.93Å; K440-F481 HydrophobicContact CB-CE2 3.93Å; K440-F481 HydrophobicContact CB-CZ 4.4Å; K440-F481 WeakPolarHBondContact O-CE2 3.41Å; K440-F481 WeakPolarHBondContact O-CZ 3.27Å; K440-R776 WeakPolarHBondContact CB-O 3.45Å; K440-R776 PolarHBondContact N-O 2.86Å |
| 441 | D | 90.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 17.6 Ų | 17.6 | 11% | 0.112 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.4 | -37.8 | 174.3 | 60.7 | -15.8 | 0 | 0 | 0 | 113.1 | D439 Q444 K445 V738 R742 R776 | D439-D441 VanDerWaalsContact C-N 3.33Å; D441-Q444 WeakPolarHBondContact O-CB 3.4Å; D441-Q444 PolarHBondContact O-N 3.05Å; D441-K445 PolarHBondContact O-N 3.42Å; D441-V738 HydrophobicContact CB-CG1 4.49Å; D441-V738 WeakPolarHBondContact OD2-CG1 3.13Å; D441-R742 IonicContact OD1-CZ 2.75Å; D441-R742 IonicContact OD1-NE 2.99Å; D441-R742 IonicContact OD1-NH2 3.98Å; D441-R742 PolarHBondContact OD1-NH2 2.92Å; D441-R742 WeakPolarHBondContact OD2-CG 3.09Å; D441-R742 IonicContact OD2-CZ 2.81Å; D441-R742 IonicContact OD2-NE 3.7Å; D441-R742 PolarHBondContact OD2-NE 3.21Å; D441-R742 IonicContact OD2-NH2 3.36Å; D441-R742 PolarHBondContact OD2-NH2 3.38Å; D441-R776 PolarHBondContact N-O 3.27Å |
| 442 | L | 91.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 169 | -74.8 | 177 | 0 | 0 | 0 | 110.1 | D439 Q444 K445 Y446 V734 V738 | D439-L442 HydrophobicContact CB-CB 4.21Å; D439-L442 HydrophobicContact CB-CD1 3.7Å; D439-L442 HydrophobicContact CB-CG 4.1Å; D439-L442 PolarHBondContact O-N 3.47Å; L442-Q444 VanDerWaalsContact C-N 3.31Å; L442-Q444 PolarHBondContact O-N 3.38Å; L442-K445 PolarHBondContact O-N 2.87Å; L442-Y446 WeakPolarHBondContact O-CD2 3.46Å; L442-Y446 PolarHBondContact O-N 3.44Å; L442-V734 HydrophobicContact CD2-CG1 4.26Å; L442-V738 HydrophobicContact CD2-CB 3.87Å; L442-V738 HydrophobicContact CD2-CG1 3.76Å; L442-V738 HydrophobicContact CD2-CG2 3.96Å; L442-V738 HydrophobicContact CG-CG1 4.14Å |
| 443 | F | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.1 | -46.1 | 176.1 | 176.1 | -88.8 | 0 | 0 | 0 | 110.8 | S400 L403 C404 M407 F434 D439 K440 K445 Y446 Y447 L473 F481 | S400-F443 WeakPolarHBondContact O-CD2 3.28Å; L403-F443 HydrophobicContact CB-CD2 4.48Å; L403-F443 HydrophobicContact CB-CE2 4.38Å; L403-F443 HydrophobicContact CD2-CD2 3.86Å; L403-F443 HydrophobicContact CD2-CE2 3.61Å; L403-F443 HydrophobicContact CD2-CZ 4.46Å; L403-F443 HydrophobicContact CG-CD2 4.28Å; L403-F443 HydrophobicContact CG-CE2 3.82Å; C404-F443 HydrophobicContact CB-CD2 3.95Å; C404-F443 HydrophobicContact CB-CE2 3.87Å; M407-F443 HydrophobicContact SD-CE2 3.94Å; M407-F443 HydrophobicContact SD-CZ 3.73Å; F434-F443 HydrophobicContact CD2-CD1 4.03Å; F434-F443 HydrophobicContact CD2-CD2 4.22Å; F434-F443 HydrophobicContact CD2-CE1 4.29Å; F434-F443 HydrophobicContact CD2-CE2 4.47Å; F434-F443 AromaticContact CD2-CG 3.99Å; F434-F443 HydrophobicContact CD2-CG 3.99Å; F434-F443 HydrophobicContact CD2-CZ 4.5Å; F434-F443 HydrophobicContact CE2-CB 3.99Å; F434-F443 AromaticContact CE2-CD1 3.48Å; F434-F443 HydrophobicContact CE2-CD1 3.48Å; F434-F443 VanDerWaalsContact CE2-CD1 3.48Å; F434-F443 HydrophobicContact CE2-CD2 4.35Å; F434-F443 HydrophobicContact CE2-CE1 4.03Å; F434-F443 AromaticContact CE2-CG 3.67Å; F434-F443 HydrophobicContact CE2-CG 3.67Å; F434-F443 HydrophobicContact CZ-CD1 4.08Å; F434-F443 HydrophobicContact CZ-CE1 4.46Å; D439-F443 PolarHBondContact O-N 2.88Å; K440-F443 WeakPolarHBondContact O-CB 3.28Å; K440-F443 PolarHBondContact O-N 2.97Å; F443-K445 PolarHBondContact O-N 3.03Å; F443-Y446 PolarHBondContact O-N 3.16Å; F443-Y447 HydrophobicContact CE1-CD2 4.32Å; F443-Y447 HydrophobicContact CE1-CG 4.29Å; F443-Y447 HydrophobicContact CZ-CD2 4.01Å; F443-Y447 HydrophobicContact CZ-CG 4.43Å; F443-Y447 VanDerWaalsContact O-CB 3.27Å; F443-Y447 WeakPolarHBondContact O-CB 3.21Å; F443-Y447 PolarHBondContact O-N 3.06Å; F443-L473 HydrophobicContact CE1-CD1 4.1Å; F443-L473 HydrophobicContact CE1-CD2 3.99Å; F443-L473 HydrophobicContact CZ-CD2 4.45Å; F443-F481 HydrophobicContact CD1-CZ 4.18Å |
| 444 | Q | 94 | Very high | 91.4 | Very high | 26 Ų | 26 | 19 Ų | 19 | 12% | 0.121 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54.8 | -44.2 | 178.8 | -164.5 | -171.1 | -0.8 | 0 | 0 | 110.9 | K440 D441 L442 Q448 F481 F485 | K440-Q444 WeakPolarHBondContact O-CB 3.35Å; K440-Q444 PolarHBondContact O-N 2.93Å; D441-Q444 WeakPolarHBondContact O-CB 3.4Å; D441-Q444 PolarHBondContact O-N 3.05Å; L442-Q444 VanDerWaalsContact C-N 3.31Å; L442-Q444 PolarHBondContact O-N 3.38Å; Q444-Q448 VanDerWaalsContact O-CB 3.31Å; Q444-Q448 WeakPolarHBondContact O-CB 3.4Å; Q444-Q448 PolarHBondContact O-N 2.9Å; Q444-F481 HydrophobicContact CB-CD2 4.5Å; Q444-F481 HydrophobicContact CB-CE1 4.48Å; Q444-F481 HydrophobicContact CB-CE2 3.68Å; Q444-F481 HydrophobicContact CB-CZ 3.67Å; Q444-F481 HydrophobicContact CG-CD2 4.33Å; Q444-F481 HydrophobicContact CG-CE1 4.38Å; Q444-F481 HydrophobicContact CG-CE2 3.95Å; Q444-F481 HydrophobicContact CG-CZ 3.97Å; Q444-F481 PolarHBondContact NE2-O 3.24Å; Q444-F485 HydrophobicContact CB-CZ 4.26Å; Q444-F485 HydrophobicContact CG-CE1 4.1Å; Q444-F485 HydrophobicContact CG-CE2 4.17Å; Q444-F485 HydrophobicContact CG-CZ 3.42Å; Q444-F485 VanDerWaalsContact CG-CZ 3.42Å; Q444-F485 WeakPolarHBondContact O-CE1 3.33Å; Q444-F485 WeakPolarHBondContact O-CZ 3.45Å |
| 445 | K | 92.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 4% | 0.035 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70 | -45.7 | -177.9 | -166.9 | 72.5 | -153.9 | 175.8 | 0 | 112.9 | D441 L442 F443 Y447 Q448 R449 V734 Q737 V738 | D441-K445 PolarHBondContact O-N 3.42Å; L442-K445 PolarHBondContact O-N 2.87Å; F443-K445 PolarHBondContact O-N 3.03Å; K445-Y447 VanDerWaalsContact C-N 3.33Å; K445-Q448 WeakPolarHBondContact O-CB 3.36Å; K445-Q448 PolarHBondContact O-N 3.39Å; K445-R449 PolarHBondContact O-N 3.44Å; K445-R449 VanDerWaalsContact O-N 3.12Å; K445-V734 HydrophobicContact CB-CG1 4.03Å; K445-V734 HydrophobicContact CG-CB 4.5Å; K445-V734 HydrophobicContact CG-CG1 3.87Å; K445-V734 HydrophobicContact CG-CG2 4.26Å; K445-Q737 HydrophobicContact CD-CG 4.36Å; K445-V738 HydrophobicContact CB-CG2 3.67Å; K445-V738 HydrophobicContact CD-CG2 4.48Å; K445-V738 HydrophobicContact CG-CG2 3.88Å |
| 446 | Y | 93 | Very high | 90.7 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 2% | 0.02 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 173.6 | -78.7 | -67.3 | 0 | 0 | 0 | 111.1 | E401 L442 F443 Q448 R449 M450 A731 V734 | E401-Y446 HydrophobicContact CB-CD2 4.1Å; E401-Y446 HydrophobicContact CB-CE1 4.44Å; E401-Y446 HydrophobicContact CB-CE2 3.75Å; E401-Y446 HydrophobicContact CG-CD1 4.23Å; E401-Y446 HydrophobicContact CG-CD2 4.44Å; E401-Y446 HydrophobicContact CG-CE1 3.85Å; E401-Y446 HydrophobicContact CG-CE2 4.08Å; L442-Y446 WeakPolarHBondContact O-CD2 3.46Å; L442-Y446 PolarHBondContact O-N 3.44Å; F443-Y446 PolarHBondContact O-N 3.16Å; Y446-Q448 VanDerWaalsContact C-N 3.32Å; Y446-Q448 PolarHBondContact O-N 3.39Å; Y446-R449 PolarHBondContact O-N 2.89Å; Y446-M450 WeakPolarHBondContact O-CG 3.38Å; Y446-M450 PolarHBondContact O-N 3.08Å; Y446-A731 VanDerWaalsContact OH-CA 3.28Å; Y446-A731 WeakPolarHBondContact OH-CA 3.25Å; Y446-A731 WeakPolarHBondContact OH-CB 3.22Å; Y446-V734 HydrophobicContact CD1-CG1 4.4Å; Y446-V734 HydrophobicContact CD1-CG2 4.08Å; Y446-V734 HydrophobicContact CD2-CG1 4.01Å; Y446-V734 HydrophobicContact CE1-CB 4.07Å; Y446-V734 HydrophobicContact CE1-CG1 4.08Å; Y446-V734 HydrophobicContact CE1-CG2 3.84Å; Y446-V734 HydrophobicContact CE2-CB 4.43Å; Y446-V734 HydrophobicContact CE2-CG1 3.65Å; Y446-V734 HydrophobicContact CG-CG1 4.36Å |
| 447 | Y | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 179.7 | -167.2 | -93.5 | 0 | 0 | 0 | 111.1 | C404 M407 F443 K445 R449 M450 L451 E466 V469 L473 F485 | C404-Y447 WeakPolarHBondContact SG-CA 3.28Å; C404-Y447 PolarHBondContact SG-N 3.4Å; M407-Y447 HydrophobicContact CE-CE2 4.46Å; F443-Y447 HydrophobicContact CE1-CD2 4.32Å; F443-Y447 HydrophobicContact CE1-CG 4.29Å; F443-Y447 HydrophobicContact CZ-CD2 4.01Å; F443-Y447 HydrophobicContact CZ-CG 4.43Å; F443-Y447 VanDerWaalsContact O-CB 3.27Å; F443-Y447 WeakPolarHBondContact O-CB 3.21Å; F443-Y447 PolarHBondContact O-N 3.06Å; K445-Y447 VanDerWaalsContact C-N 3.33Å; Y447-R449 PolarHBondContact O-N 2.69Å; Y447-M450 PolarHBondContact O-N 3.33Å; Y447-L451 HydrophobicContact CD1-CB 4.46Å; Y447-L451 HydrophobicContact CE1-CB 4.34Å; Y447-L451 HydrophobicContact CE1-CD2 4.18Å; Y447-L451 WeakPolarHBondContact O-CB 3.28Å; Y447-L451 PolarHBondContact O-N 3.48Å; Y447-E466 PolarHBondContact OH-OE2 3.01Å; Y447-V469 HydrophobicContact CE2-CG1 4.13Å; Y447-V469 WeakPolarHBondContact OH-CG1 3.16Å; Y447-L473 HydrophobicContact CE1-CD1 4.31Å; Y447-F485 HydrophobicContact CD1-CD1 4.17Å; Y447-F485 HydrophobicContact CD1-CD2 4.09Å; Y447-F485 AromaticContact CD1-CE1 3.94Å; Y447-F485 HydrophobicContact CD1-CE1 3.94Å; Y447-F485 AromaticContact CD1-CE2 3.85Å; Y447-F485 HydrophobicContact CD1-CE2 3.85Å; Y447-F485 HydrophobicContact CD1-CG 4.25Å; Y447-F485 AromaticContact CD1-CZ 3.75Å; Y447-F485 HydrophobicContact CD1-CZ 3.75Å; Y447-F485 HydrophobicContact CE1-CD2 4.33Å; Y447-F485 HydrophobicContact CE1-CE2 4.48Å; Y447-F485 HydrophobicContact CE1-CG 4.45Å; Y447-F485 HydrophobicContact CG-CZ 4.4Å |
| 448 | Q | 93.5 | Very high | 89.1 | Confident | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.8 | -48 | 175 | -157.7 | -169.7 | 8.5 | 0 | 0 | 112 | Q444 K445 Y446 C452 F485 M488 S526 P528 | Q444-Q448 VanDerWaalsContact O-CB 3.31Å; Q444-Q448 WeakPolarHBondContact O-CB 3.4Å; Q444-Q448 PolarHBondContact O-N 2.9Å; K445-Q448 WeakPolarHBondContact O-CB 3.36Å; K445-Q448 PolarHBondContact O-N 3.39Å; Y446-Q448 VanDerWaalsContact C-N 3.32Å; Y446-Q448 PolarHBondContact O-N 3.39Å; Q448-C452 WeakPolarHBondContact O-CB 3.21Å; Q448-C452 PolarHBondContact O-N 3.1Å; Q448-F485 HydrophobicContact CB-CD1 4.5Å; Q448-F485 HydrophobicContact CB-CE1 3.82Å; Q448-F485 HydrophobicContact CG-CD1 4.43Å; Q448-F485 HydrophobicContact CG-CE1 4.14Å; Q448-M488 HydrophobicContact CG-CE 4.47Å; Q448-M488 HydrophobicContact CG-SD 3.7Å; Q448-S526 PolarHBondContact NE2-O 2.88Å; Q448-P528 HydrophobicContact CB-CG 4.46Å; Q448-P528 HydrophobicContact CG-CB 4.27Å; Q448-P528 HydrophobicContact CG-CG 3.94Å |
| 449 | R | 90.2 | Very high | 88.1 | Confident | 14 Ų | 14 | 21.3 Ų | 21.3 | 5% | 0.053 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.7 | -44.5 | -179.1 | -71 | -177.5 | 71.8 | 99.6 | -10.4 | 111.9 | K445 Y446 Y447 C452 K453 P528 E725 E730 | K445-R449 PolarHBondContact O-N 3.44Å; K445-R449 VanDerWaalsContact O-N 3.12Å; Y446-R449 PolarHBondContact O-N 2.89Å; Y447-R449 PolarHBondContact O-N 2.69Å; R449-C452 WeakPolarHBondContact O-CB 3.36Å; R449-C452 PolarHBondContact O-N 2.81Å; R449-K453 WeakPolarHBondContact O-CG 3.4Å; R449-K453 PolarHBondContact O-N 3.49Å; R449-P528 HydrophobicContact CG-CB 4.1Å; R449-P528 HydrophobicContact CG-CG 4.22Å; R449-E725 IonicContact NH2-OE2 3.63Å; R449-E725 PolarHBondContact NH2-OE2 3.42Å; R449-E730 IonicContact NE-OE1 2.87Å; R449-E730 PolarHBondContact NE-OE1 2.92Å; R449-E730 VanDerWaalsContact NE-OE1 3.16Å; R449-E730 IonicContact NH2-OE1 3.88Å |
| 450 | M | 90.4 | Very high | 86.6 | Confident | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69 | -40.4 | 179.7 | -65.8 | -56.7 | 179.3 | 0 | 0 | 111.8 | D408 Y446 Y447 C452 K453 R454 E730 | D408-M450 HydrophobicContact CB-CB 4.29Å; D408-M450 HydrophobicContact CB-CG 4.46Å; D408-M450 WeakPolarHBondContact OD2-CG 3.43Å; D408-M450 VanDerWaalsContact OD2-SD 3.33Å; Y446-M450 WeakPolarHBondContact O-CG 3.38Å; Y446-M450 PolarHBondContact O-N 3.08Å; Y447-M450 PolarHBondContact O-N 3.33Å; M450-C452 VanDerWaalsContact C-N 3.35Å; M450-C452 PolarHBondContact O-N 3.35Å; M450-K453 PolarHBondContact O-N 2.92Å; M450-K453 HydrophobicContact SD-CD 4.14Å; M450-R454 WeakPolarHBondContact O-CG 3.48Å; M450-R454 PolarHBondContact O-N 3.36Å; M450-E730 WeakPolarHBondContact CE-OE2 3.14Å |
| 451 | L | 92.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 171.8 | -179.9 | 65 | 0 | 0 | 0 | 111 | Y447 K453 R454 L455 E466 I470 F485 M488 | Y447-L451 HydrophobicContact CD1-CB 4.46Å; Y447-L451 HydrophobicContact CE1-CB 4.34Å; Y447-L451 HydrophobicContact CE1-CD2 4.18Å; Y447-L451 WeakPolarHBondContact O-CB 3.28Å; Y447-L451 PolarHBondContact O-N 3.48Å; L451-K453 VanDerWaalsContact C-N 3.34Å; L451-K453 PolarHBondContact O-N 3.28Å; L451-R454 PolarHBondContact O-N 2.94Å; L451-L455 HydrophobicContact CD1-CD1 3.87Å; L451-L455 HydrophobicContact CD1-CD2 4.31Å; L451-L455 HydrophobicContact CD1-CG 3.81Å; L451-L455 HydrophobicContact CD2-CD1 4.33Å; L451-L455 HydrophobicContact CG-CD1 3.76Å; L451-L455 HydrophobicContact CG-CG 4.1Å; L451-L455 WeakPolarHBondContact O-CB 3.36Å; L451-L455 VanDerWaalsContact O-CG 3.31Å; L451-L455 WeakPolarHBondContact O-CG 3.15Å; L451-L455 PolarHBondContact O-N 2.93Å; L451-E466 VanDerWaalsContact CD1-OE2 3.31Å; L451-E466 WeakPolarHBondContact CD1-OE2 3.44Å; L451-I470 HydrophobicContact CD2-CD1 4.32Å; L451-F485 HydrophobicContact CD2-CB 3.9Å; L451-F485 HydrophobicContact CD2-CD1 4.15Å; L451-F485 HydrophobicContact CD2-CG 4.28Å; L451-M488 HydrophobicContact CB-CE 4.4Å; L451-M488 HydrophobicContact CD2-CE 4.25Å; L451-M488 HydrophobicContact CD2-SD 4.34Å; L451-M488 HydrophobicContact CG-CE 4.2Å |
| 452 | C | 90.5 | Very high | 84.6 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.2 | -50 | 174.5 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | Q448 R449 M450 R454 L455 V456 M488 W527 P528 | Q448-C452 WeakPolarHBondContact O-CB 3.21Å; Q448-C452 PolarHBondContact O-N 3.1Å; R449-C452 WeakPolarHBondContact O-CB 3.36Å; R449-C452 PolarHBondContact O-N 2.81Å; M450-C452 VanDerWaalsContact C-N 3.35Å; M450-C452 PolarHBondContact O-N 3.35Å; C452-R454 PolarHBondContact O-N 2.99Å; C452-L455 PolarHBondContact O-N 3.16Å; C452-V456 WeakPolarHBondContact O-CB 3.34Å; C452-V456 WeakPolarHBondContact O-CG2 3.39Å; C452-V456 PolarHBondContact O-N 3.16Å; C452-M488 HydrophobicContact CB-CE 3.67Å; C452-W527 HydrophobicContact CB-CE3 4.23Å; C452-W527 HydrophobicContact CB-CZ3 4.33Å; C452-P528 HydrophobicContact CB-CG 3.7Å |
| 453 | K | 86.5 | Confident | 84.3 | Confident | 42 Ų | 42 | 30.9 Ų | 30.9 | 18% | 0.183 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 178.3 | -71.3 | 171 | 176.7 | 171.8 | 0 | 111.7 | R449 M450 L451 F457 E730 | R449-K453 WeakPolarHBondContact O-CG 3.4Å; R449-K453 PolarHBondContact O-N 3.49Å; M450-K453 PolarHBondContact O-N 2.92Å; M450-K453 HydrophobicContact SD-CD 4.14Å; L451-K453 VanDerWaalsContact C-N 3.34Å; L451-K453 PolarHBondContact O-N 3.28Å; K453-F457 HydrophobicContact CB-CD2 4.41Å; K453-F457 WeakPolarHBondContact O-CB 3.43Å; K453-F457 WeakPolarHBondContact O-CD2 3.31Å; K453-F457 PolarHBondContact O-N 3.46Å; K453-E730 IonicContact NZ-OE1 2.75Å; K453-E730 PolarHBondContact NZ-OE1 3.28Å; K453-E730 IonicContact NZ-OE2 2.92Å |
| 454 | R | 88.7 | Confident | 84 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 4% | 0.038 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.8 | -45.6 | 179.3 | -68 | -168.9 | -51.2 | -91 | 2.6 | 112.1 | D408 R412 M450 L451 C452 N458 Y459 E466 | D408-R454 WeakPolarHBondContact OD1-CD 3.45Å; D408-R454 IonicContact OD1-CZ 3.89Å; D408-R454 IonicContact OD1-NE 3.39Å; D408-R454 IonicContact OD1-NH1 3.87Å; D408-R454 PolarHBondContact OD1-NH1 3.45Å; R412-R454 HydrophobicContact CG-CG 4.13Å; M450-R454 WeakPolarHBondContact O-CG 3.48Å; M450-R454 PolarHBondContact O-N 3.36Å; L451-R454 PolarHBondContact O-N 2.94Å; C452-R454 PolarHBondContact O-N 2.99Å; R454-N458 CarbonylContact O-C 3.6Å; R454-N458 WeakPolarHBondContact O-CA 3.34Å; R454-N458 PolarHBondContact O-N 2.92Å; R454-Y459 PolarHBondContact O-N 2.69Å; R454-E466 IonicContact CZ-OE1 3.16Å; R454-E466 IonicContact CZ-OE2 3.72Å; R454-E466 IonicContact NE-OE1 3.98Å; R454-E466 PolarHBondContact NE-OE1 2.76Å; R454-E466 IonicContact NE-OE2 2.82Å; R454-E466 IonicContact NH2-OE1 3.9Å; R454-E466 PolarHBondContact NH2-OE1 3.42Å; R454-E466 IonicContact NH2-OE2 3.66Å; R454-E466 PolarHBondContact NH2-OE2 3.27Å |
| 455 | L | 88.4 | Confident | 83.8 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | -178.8 | -72.6 | -177.3 | 0 | 0 | 0 | 113.2 | L451 C452 M488 F489 V492 W527 | L451-L455 HydrophobicContact CD1-CD1 3.87Å; L451-L455 HydrophobicContact CD1-CD2 4.31Å; L451-L455 HydrophobicContact CD1-CG 3.81Å; L451-L455 HydrophobicContact CD2-CD1 4.33Å; L451-L455 HydrophobicContact CG-CD1 3.76Å; L451-L455 HydrophobicContact CG-CG 4.1Å; L451-L455 WeakPolarHBondContact O-CB 3.36Å; L451-L455 VanDerWaalsContact O-CG 3.31Å; L451-L455 WeakPolarHBondContact O-CG 3.15Å; L451-L455 PolarHBondContact O-N 2.93Å; C452-L455 PolarHBondContact O-N 3.16Å; L455-M488 HydrophobicContact CD1-CB 4.13Å; L455-F489 HydrophobicContact CD2-CD2 4.43Å; L455-V492 HydrophobicContact CB-CG2 4.15Å; L455-V492 HydrophobicContact CD1-CG2 4.21Å; L455-W527 HydrophobicContact CB-CH2 4.04Å; L455-W527 HydrophobicContact CB-CZ3 4.35Å; L455-W527 HydrophobicContact CD1-CH2 3.88Å; L455-W527 HydrophobicContact CD1-CZ3 4.48Å |
| 456 | V | 83.6 | Confident | 83.7 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 16% | 0.158 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -80.5 | -42.9 | -177.1 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | C452 W527 | C452-V456 WeakPolarHBondContact O-CB 3.34Å; C452-V456 WeakPolarHBondContact O-CG2 3.39Å; C452-V456 PolarHBondContact O-N 3.16Å; V456-W527 HydrophobicContact CG2-CE3 4.43Å; V456-W527 HydrophobicContact CG2-CH2 4.29Å; V456-W527 HydrophobicContact CG2-CZ3 3.66Å |
| 457 | F | 78.9 | Confident | 83.6 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -103.5 | -17.1 | -168.4 | -59.2 | -61.1 | 0 | 0 | 0 | 115 | K453 Y569 T571 R716 F719 | K453-F457 HydrophobicContact CB-CD2 4.41Å; K453-F457 WeakPolarHBondContact O-CB 3.43Å; K453-F457 WeakPolarHBondContact O-CD2 3.31Å; K453-F457 PolarHBondContact O-N 3.46Å; F457-Y569 HydrophobicContact CE2-CD1 4.48Å; F457-Y569 HydrophobicContact CZ-CD1 4.03Å; F457-T571 HydrophobicContact CD1-CG2 3.92Å; F457-T571 HydrophobicContact CE1-CG2 3.85Å; F457-R716 PolarHBondContact O-NH2 3.22Å; F457-F719 HydrophobicContact CD1-CE1 4.04Å; F457-F719 AromaticContact CD1-CE2 3.86Å; F457-F719 HydrophobicContact CD1-CE2 3.86Å; F457-F719 AromaticContact CD1-CZ 3.42Å; F457-F719 HydrophobicContact CD1-CZ 3.42Å; F457-F719 VanDerWaalsContact CD1-CZ 3.42Å; F457-F719 HydrophobicContact CE1-CD1 4.14Å; F457-F719 AromaticContact CE1-CE1 3.36Å; F457-F719 HydrophobicContact CE1-CE1 3.36Å; F457-F719 AromaticContact CE1-CE2 3.96Å; F457-F719 HydrophobicContact CE1-CE2 3.96Å; F457-F719 AromaticContact CE1-CZ 3.26Å; F457-F719 HydrophobicContact CE1-CZ 3.26Å; F457-F719 HydrophobicContact CG-CE2 4.34Å; F457-F719 HydrophobicContact CG-CZ 4.33Å; F457-F719 HydrophobicContact CZ-CD1 4.22Å; F457-F719 AromaticContact CZ-CE1 3.88Å; F457-F719 HydrophobicContact CZ-CE1 3.88Å; F457-F719 HydrophobicContact CZ-CZ 4.05Å |
| 458 | N | 70.3 | Confident | 83.5 | Confident | 87 Ų | 87 | 42 Ų | 42 | 47% | 0.465 | 22% | 0.224 | S | C | . | . | trans | -139.3 | 44 | -174.1 | -67.8 | -27.7 | 0 | 0 | 0 | 112 | R454 S460 R716 | R454-N458 CarbonylContact O-C 3.6Å; R454-N458 WeakPolarHBondContact O-CA 3.34Å; R454-N458 PolarHBondContact O-N 2.92Å; N458-S460 PolarHBondContact O-N 3.41Å; N458-R716 PolarHBondContact OD1-NH1 3.05Å | ||
| 459 | Y | 66.1 | Low | 83.6 | Confident | 85 Ų | 85 | 41.8 Ų | 41.8 | 33% | 0.333 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -24.5 | -172.3 | -177.8 | -118.2 | 0 | 0 | 0 | 115.8 | R454 S461 L463 V492 | R454-Y459 PolarHBondContact O-N 2.69Å; Y459-S461 PolarHBondContact O-N 3.04Å; Y459-L463 HydrophobicContact CE2-CD1 4.36Å; Y459-V492 HydrophobicContact CD2-CG1 3.46Å; Y459-V492 VanDerWaalsContact CD2-CG1 3.46Å; Y459-V492 HydrophobicContact CE2-CB 4.43Å; Y459-V492 HydrophobicContact CE2-CG1 3.13Å |
| 460 | S | 58.6 | Low | 83.7 | Confident | 114 Ų | 114 | 41.1 Ų | 41.1 | 80% | 0.797 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 9.3 | -144.8 | -147 | 0 | 0 | 0 | 0 | 119.2 | N458 | N458-S460 PolarHBondContact O-N 3.41Š|
| 461 | S | 62.6 | Low | 83.9 | Confident | 90 Ų | 90 | 43.5 Ų | 43.5 | 63% | 0.629 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -141.5 | -11 | -175.8 | 57.6 | 0 | 0 | 0 | 0 | 121 | Y459 | Y459-S461 PolarHBondContact O-N 3.04Š|
| 462 | I | 76.1 | Confident | 84 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | trans | -149.3 | 52.2 | 179.9 | -28.2 | 172.5 | 0 | 0 | 0 | 114.8 | L411 V415 E464 L465 E466 | L411-I462 VanDerWaalsContact O-CD1 3.28Å; L411-I462 WeakPolarHBondContact O-CD1 3.43Å; V415-I462 HydrophobicContact CG2-CD1 3.19Å; V415-I462 HydrophobicContact CG2-CG1 3.6Å; I462-E464 VanDerWaalsContact C-N 3.26Å; I462-E464 PolarHBondContact O-N 2.89Å; I462-L465 HydrophobicContact CB-CB 4.49Å; I462-L465 HydrophobicContact CD1-CD1 4.49Å; I462-L465 HydrophobicContact CG2-CB 3.47Å; I462-L465 VanDerWaalsContact CG2-CB 3.47Å; I462-L465 HydrophobicContact CG2-CD1 3.48Å; I462-L465 VanDerWaalsContact CG2-CD1 3.48Å; I462-L465 HydrophobicContact CG2-CG 3.32Å; I462-L465 PolarHBondContact O-N 3.2Å; I462-E466 WeakPolarHBondContact O-CG 3.12Å; I462-E466 PolarHBondContact O-N 2.72Å | ||
| 463 | L | 85.6 | Confident | 84.2 | Confident | 53 Ų | 53 | 45 Ų | 45 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.5 | -34.7 | -179.7 | -165.3 | 70.6 | 0 | 0 | 0 | 112.7 | Y459 E466 E467 F489 Q493 | Y459-L463 HydrophobicContact CE2-CD1 4.36Å; L463-E466 WeakPolarHBondContact O-CB 3.27Å; L463-E466 PolarHBondContact O-N 2.95Å; L463-E467 PolarHBondContact O-N 3.05Å; L463-E467 VanDerWaalsContact O-N 3.1Å; L463-F489 HydrophobicContact CD1-CD2 4.08Å; L463-F489 HydrophobicContact CD1-CE2 3.26Å; L463-F489 HydrophobicContact CD1-CZ 3.66Å; L463-F489 HydrophobicContact CD2-CZ 4.32Å; L463-F489 HydrophobicContact CG-CE2 3.71Å; L463-F489 HydrophobicContact CG-CZ 3.59Å; L463-Q493 HydrophobicContact CD2-CG 4.25Å |
| 464 | E | 87.7 | Confident | 84.6 | Confident | 156 Ų | 156 | 47.2 Ų | 47.2 | 73% | 0.729 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66 | -41.5 | 180 | -64.1 | 178.3 | 174.4 | 0 | 0 | 113 | I462 E466 E467 S468 | I462-E464 VanDerWaalsContact C-N 3.26Å; I462-E464 PolarHBondContact O-N 2.89Å; E464-E466 VanDerWaalsContact C-N 3.34Å; E464-E467 PolarHBondContact O-N 3.33Å; E464-S468 PolarHBondContact O-N 3.45Å |
| 465 | L | 89.2 | Confident | 84.8 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69 | -35.1 | 176.4 | -67.8 | -172.8 | 0 | 0 | 0 | 111.6 | L411 I420 T423 E424 L427 I462 E467 S468 V469 | L411-L465 HydrophobicContact CD2-CB 3.94Å; I420-L465 HydrophobicContact CG2-CD1 4.15Å; I420-L465 HydrophobicContact CG2-CD2 3.81Å; I420-L465 HydrophobicContact CG2-CG 4.06Å; T423-L465 HydrophobicContact CG2-CD1 3.76Å; E424-L465 HydrophobicContact CB-CD2 3.95Å; E424-L465 HydrophobicContact CG-CD2 4.43Å; L427-L465 HydrophobicContact CD1-CD1 4.43Å; I462-L465 HydrophobicContact CB-CB 4.49Å; I462-L465 HydrophobicContact CD1-CD1 4.49Å; I462-L465 HydrophobicContact CG2-CB 3.47Å; I462-L465 VanDerWaalsContact CG2-CB 3.47Å; I462-L465 HydrophobicContact CG2-CD1 3.48Å; I462-L465 VanDerWaalsContact CG2-CD1 3.48Å; I462-L465 HydrophobicContact CG2-CG 3.32Å; I462-L465 PolarHBondContact O-N 3.2Å; L465-E467 VanDerWaalsContact C-N 3.32Å; L465-E467 PolarHBondContact O-N 2.98Å; L465-S468 PolarHBondContact O-N 2.8Å; L465-V469 VanDerWaalsContact O-CG2 3.28Å; L465-V469 WeakPolarHBondContact O-CG2 3.45Å; L465-V469 PolarHBondContact O-N 3.2Å |
| 466 | E | 90.4 | Very high | 84.9 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 173.9 | -64.5 | -72.7 | 177.2 | 0 | 0 | 110.7 | Y447 L451 R454 I462 L463 E464 V469 I470 F489 | Y447-E466 PolarHBondContact OH-OE2 3.01Å; L451-E466 VanDerWaalsContact CD1-OE2 3.31Å; L451-E466 WeakPolarHBondContact CD1-OE2 3.44Å; R454-E466 IonicContact CZ-OE1 3.16Å; R454-E466 IonicContact CZ-OE2 3.72Å; R454-E466 IonicContact NE-OE1 3.98Å; R454-E466 PolarHBondContact NE-OE1 2.76Å; R454-E466 IonicContact NE-OE2 2.82Å; R454-E466 IonicContact NH2-OE1 3.9Å; R454-E466 PolarHBondContact NH2-OE1 3.42Å; R454-E466 IonicContact NH2-OE2 3.66Å; R454-E466 PolarHBondContact NH2-OE2 3.27Å; I462-E466 WeakPolarHBondContact O-CG 3.12Å; I462-E466 PolarHBondContact O-N 2.72Å; L463-E466 WeakPolarHBondContact O-CB 3.27Å; L463-E466 PolarHBondContact O-N 2.95Å; E464-E466 VanDerWaalsContact C-N 3.34Å; E466-V469 PolarHBondContact O-N 3.4Å; E466-I470 VanDerWaalsContact O-CG1 3.24Å; E466-I470 WeakPolarHBondContact O-CG1 3.34Å; E466-I470 PolarHBondContact O-N 3.38Å; E466-F489 HydrophobicContact CB-CD2 4.39Å; E466-F489 HydrophobicContact CB-CE2 3.88Å |
| 467 | E | 92.3 | Very high | 85.2 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 34% | 0.341 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.2 | -173.5 | 163.9 | -161.6 | 0 | 0 | 112.1 | L463 E464 L465 V469 I470 N471 F489 | L463-E467 PolarHBondContact O-N 3.05Å; L463-E467 VanDerWaalsContact O-N 3.1Å; E464-E467 PolarHBondContact O-N 3.33Å; L465-E467 VanDerWaalsContact C-N 3.32Å; L465-E467 PolarHBondContact O-N 2.98Å; E467-V469 PolarHBondContact O-N 2.8Å; E467-I470 PolarHBondContact O-N 3.41Å; E467-N471 WeakPolarHBondContact CG-ND2 3.35Å; E467-N471 WeakPolarHBondContact O-CB 3.38Å; E467-N471 PolarHBondContact O-N 2.97Å; E467-N471 PolarHBondContact O-ND2 2.96Å; E467-F489 HydrophobicContact CB-CE1 4.01Å; E467-F489 HydrophobicContact CB-CE2 4.38Å; E467-F489 HydrophobicContact CB-CZ 3.66Å; E467-F489 HydrophobicContact CG-CE1 4.2Å; E467-F489 HydrophobicContact CG-CZ 4.35Å |
| 468 | S | 92.5 | Very high | 85.7 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | E424 E464 L465 I470 N471 Q472 | E424-S468 PolarHBondContact OE1-OG 2.85Å; E464-S468 PolarHBondContact O-N 3.45Å; L465-S468 PolarHBondContact O-N 2.8Å; S468-I470 PolarHBondContact O-N 2.82Å; S468-N471 PolarHBondContact O-N 3.27Å; S468-Q472 VanDerWaalsContact O-CG 3.3Å; S468-Q472 WeakPolarHBondContact O-CG 3.24Å; S468-Q472 PolarHBondContact O-N 3.06Å; S468-Q472 PolarHBondContact OG-NE2 3.41Å; S468-Q472 VanDerWaalsContact OG-NE2 3.11Å |
| 469 | V | 93.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | M407 L427 Y447 L465 E466 E467 N471 Q472 L473 | M407-V469 HydrophobicContact CE-CG1 3.56Å; L427-V469 HydrophobicContact CB-CG2 4.16Å; L427-V469 HydrophobicContact CD1-CG2 3.69Å; L427-V469 HydrophobicContact CD2-CG2 4Å; L427-V469 HydrophobicContact CG-CG2 4.16Å; Y447-V469 HydrophobicContact CE2-CG1 4.13Å; Y447-V469 WeakPolarHBondContact OH-CG1 3.16Å; L465-V469 VanDerWaalsContact O-CG2 3.28Å; L465-V469 WeakPolarHBondContact O-CG2 3.45Å; L465-V469 PolarHBondContact O-N 3.2Å; E466-V469 PolarHBondContact O-N 3.4Å; E467-V469 PolarHBondContact O-N 2.8Å; V469-N471 VanDerWaalsContact C-N 3.31Å; V469-N471 PolarHBondContact O-N 3.34Å; V469-Q472 PolarHBondContact O-N 3.38Å; V469-L473 HydrophobicContact CG1-CD1 4.02Å; V469-L473 HydrophobicContact CG1-CG 4.38Å; V469-L473 WeakPolarHBondContact O-CB 3.47Å; V469-L473 WeakPolarHBondContact O-CG 3.45Å; V469-L473 PolarHBondContact O-N 3.4Å |
| 470 | I | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.9 | -68.8 | 167.4 | 0 | 0 | 0 | 110.5 | L451 E466 E467 S468 L473 K474 F485 F489 | L451-I470 HydrophobicContact CD2-CD1 4.32Å; E466-I470 VanDerWaalsContact O-CG1 3.24Å; E466-I470 WeakPolarHBondContact O-CG1 3.34Å; E466-I470 PolarHBondContact O-N 3.38Å; E467-I470 PolarHBondContact O-N 3.41Å; S468-I470 PolarHBondContact O-N 2.82Å; I470-L473 PolarHBondContact O-N 3.17Å; I470-K474 WeakPolarHBondContact O-CB 3.27Å; I470-K474 PolarHBondContact O-N 3.41Å; I470-F485 HydrophobicContact CD1-CB 4.06Å; I470-F485 HydrophobicContact CG1-CB 4.07Å; I470-F485 HydrophobicContact CG2-CB 4.29Å; I470-F489 HydrophobicContact CD1-CB 4.14Å; I470-F489 HydrophobicContact CD1-CD2 4.19Å; I470-F489 HydrophobicContact CD1-CG 4.28Å |
| 471 | N | 94.8 | Very high | 89.4 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 178 | -76.1 | -35.6 | 0 | 0 | 0 | 113 | E467 S468 V469 K474 T475 | E467-N471 WeakPolarHBondContact CG-ND2 3.35Å; E467-N471 WeakPolarHBondContact O-CB 3.38Å; E467-N471 PolarHBondContact O-N 2.97Å; E467-N471 PolarHBondContact O-ND2 2.96Å; S468-N471 PolarHBondContact O-N 3.27Å; V469-N471 VanDerWaalsContact C-N 3.31Å; V469-N471 PolarHBondContact O-N 3.34Å; N471-K474 WeakPolarHBondContact O-CB 3.26Å; N471-K474 PolarHBondContact O-N 3.25Å; N471-T475 PolarHBondContact O-N 3.38Å; N471-T475 PolarHBondContact O-OG1 2.81Å |
| 472 | Q | 94.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 51.2 Ų | 51.2 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 174.3 | -68.2 | -178.9 | 35.4 | 0 | 0 | 111.1 | T428 I431 S468 V469 K474 T475 V476 | T428-Q472 PolarHBondContact OG1-NE2 2.97Å; T428-Q472 VanDerWaalsContact OG1-NE2 3.16Å; T428-Q472 PolarHBondContact OG1-OE1 3.38Å; I431-Q472 HydrophobicContact CD1-CB 3.29Å; I431-Q472 HydrophobicContact CD1-CG 4.28Å; S468-Q472 VanDerWaalsContact O-CG 3.3Å; S468-Q472 WeakPolarHBondContact O-CG 3.24Å; S468-Q472 PolarHBondContact O-N 3.06Å; S468-Q472 PolarHBondContact OG-NE2 3.41Å; S468-Q472 VanDerWaalsContact OG-NE2 3.11Å; V469-Q472 PolarHBondContact O-N 3.38Å; Q472-K474 VanDerWaalsContact C-N 3.31Å; Q472-K474 PolarHBondContact O-N 3.47Å; Q472-T475 WeakPolarHBondContact O-CB 3.5Å; Q472-T475 PolarHBondContact O-N 3.36Å; Q472-T475 VanDerWaalsContact O-N 3.16Å; Q472-V476 PolarHBondContact O-N 3Å |
| 473 | L | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 173 | -72.3 | 173.5 | 0 | 0 | 0 | 112.2 | I431 F434 F443 Y447 V469 I470 T475 V476 C477 T482 F485 | I431-L473 HydrophobicContact CD1-CD2 4.49Å; I431-L473 HydrophobicContact CD1-CG 4.46Å; I431-L473 HydrophobicContact CG1-CD2 4.42Å; F434-L473 HydrophobicContact CD1-CD2 3.86Å; F434-L473 HydrophobicContact CE1-CD2 3.73Å; F434-L473 HydrophobicContact CG-CD2 4.48Å; F434-L473 HydrophobicContact CZ-CD2 4.3Å; F443-L473 HydrophobicContact CE1-CD1 4.1Å; F443-L473 HydrophobicContact CE1-CD2 3.99Å; F443-L473 HydrophobicContact CZ-CD2 4.45Å; Y447-L473 HydrophobicContact CE1-CD1 4.31Å; V469-L473 HydrophobicContact CG1-CD1 4.02Å; V469-L473 HydrophobicContact CG1-CG 4.38Å; V469-L473 WeakPolarHBondContact O-CB 3.47Å; V469-L473 WeakPolarHBondContact O-CG 3.45Å; V469-L473 PolarHBondContact O-N 3.4Å; I470-L473 PolarHBondContact O-N 3.17Å; L473-T475 VanDerWaalsContact C-N 3.29Å; L473-T475 PolarHBondContact O-N 2.77Å; L473-V476 PolarHBondContact O-N 2.97Å; L473-C477 PolarHBondContact O-N 3.35Å; L473-T482 HydrophobicContact CB-CG2 3.77Å; L473-F485 HydrophobicContact CD1-CE2 4.49Å |
| 474 | K | 94.3 | Very high | 92.2 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 175.1 | -178.5 | -177.5 | 171.4 | -174.1 | 0 | 111.4 | I470 N471 Q472 V476 G478 T482 | I470-K474 WeakPolarHBondContact O-CB 3.27Å; I470-K474 PolarHBondContact O-N 3.41Å; N471-K474 WeakPolarHBondContact O-CB 3.26Å; N471-K474 PolarHBondContact O-N 3.25Å; Q472-K474 VanDerWaalsContact C-N 3.31Å; Q472-K474 PolarHBondContact O-N 3.47Å; K474-V476 VanDerWaalsContact C-N 3.35Å; K474-G478 CarbonylContact O-C 3.53Å; K474-G478 WeakPolarHBondContact O-CA 3.47Å; K474-G478 PolarHBondContact O-N 3.45Å; K474-T482 HydrophobicContact CB-CG2 4Å; K474-T482 WeakPolarHBondContact CB-OG1 3.45Å |
| 475 | T | 93.3 | Very high | 92.5 | Very high | 124 Ų | 124 | 43.8 Ų | 43.8 | 76% | 0.761 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -67.3 | -37 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | N471 Q472 L473 | N471-T475 PolarHBondContact O-N 3.38Å; N471-T475 PolarHBondContact O-OG1 2.81Å; Q472-T475 WeakPolarHBondContact O-CB 3.5Å; Q472-T475 PolarHBondContact O-N 3.36Å; Q472-T475 VanDerWaalsContact O-N 3.16Å; L473-T475 VanDerWaalsContact C-N 3.29Å; L473-T475 PolarHBondContact O-N 2.77Å |
| 476 | V | 90.1 | Very high | 92.8 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -83.2 | -39.5 | -177.9 | 177.9 | 0 | 0 | 0 | 0 | 113.1 | I431 F434 K435 Q472 L473 K474 | I431-V476 HydrophobicContact CG2-CG2 3.7Å; F434-V476 HydrophobicContact CD1-CG1 4.21Å; F434-V476 HydrophobicContact CE1-CG1 4.25Å; K435-V476 HydrophobicContact CG-CG1 3.88Å; Q472-V476 PolarHBondContact O-N 3Å; L473-V476 PolarHBondContact O-N 2.97Å; K474-V476 VanDerWaalsContact C-N 3.35Å |
| 477 | C | 89 | Confident | 93 | Very high | 38 Ų | 38 | 50 Ų | 50 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -114.7 | -3.2 | -173.4 | -72.1 | 0 | 0 | 0 | 0 | 115.1 | F434 L473 F481 | F434-C477 WeakPolarHBondContact CE1-SG 3.46Å; F434-C477 VanDerWaalsContact CZ-SG 3.56Å; L473-C477 PolarHBondContact O-N 3.35Å; C477-F481 HydrophobicContact CB-CB 3.6Å; C477-F481 HydrophobicContact CB-CD1 3.59Å; C477-F481 HydrophobicContact CB-CD2 4.07Å; C477-F481 HydrophobicContact CB-CE1 4.26Å; C477-F481 HydrophobicContact CB-CG 3.48Å; C477-F481 VanDerWaalsContact CB-CG 3.48Å |
| 478 | G | 91 | Very high | 93.1 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 32% | 0.32 | 24% | 0.236 | S | C | . | . | trans | 81.9 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K474 E480 F481 T482 | K474-G478 CarbonylContact O-C 3.53Å; K474-G478 WeakPolarHBondContact O-CA 3.47Å; K474-G478 PolarHBondContact O-N 3.45Å; G478-E480 PolarHBondContact O-N 2.86Å; G478-F481 PolarHBondContact O-N 3.45Å; G478-T482 PolarHBondContact O-OG1 2.82Å | ||
| 479 | Y | 91.7 | Very high | 93.1 | Very high | 148 Ų | 148 | 45.4 Ų | 45.4 | 58% | 0.58 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64.9 | -39.7 | -173.6 | 176.4 | -103.6 | 0 | 0 | 0 | 113.7 | F481 T482 S483 | Y479-F481 PolarHBondContact O-N 2.94Å; Y479-T482 PolarHBondContact O-N 3.43Å; Y479-S483 WeakPolarHBondContact O-CA 3.37Å; Y479-S483 WeakPolarHBondContact O-CB 3.5Å; Y479-S483 PolarHBondContact O-N 3.46Å |
| 480 | E | 89.8 | Confident | 93.1 | Very high | 134 Ų | 134 | 48.2 Ų | 48.2 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.8 | -37.2 | -177.4 | -64.3 | -168.7 | 155.9 | 0 | 0 | 112.2 | G478 S483 R776 | G478-E480 PolarHBondContact O-N 2.86Å; E480-S483 PolarHBondContact O-OG 3.1Å; E480-R776 IonicContact OE2-CZ 3.84Å; E480-R776 IonicContact OE2-NH2 3.07Å; E480-R776 PolarHBondContact OE2-NH2 3.37Å |
| 481 | F | 90.8 | Very high | 93 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | 179.5 | -173.1 | -96.6 | 0 | 0 | 0 | 112 | F434 K440 F443 Q444 C477 G478 Y479 F485 | F434-F481 HydrophobicContact CE2-CZ 4.42Å; F434-F481 HydrophobicContact CZ-CE1 4.03Å; F434-F481 AromaticContact CZ-CZ 3.78Å; F434-F481 HydrophobicContact CZ-CZ 3.78Å; K440-F481 HydrophobicContact CB-CE2 3.93Å; K440-F481 HydrophobicContact CB-CZ 4.4Å; K440-F481 WeakPolarHBondContact O-CE2 3.41Å; K440-F481 WeakPolarHBondContact O-CZ 3.27Å; F443-F481 HydrophobicContact CD1-CZ 4.18Å; Q444-F481 HydrophobicContact CB-CD2 4.5Å; Q444-F481 HydrophobicContact CB-CE1 4.48Å; Q444-F481 HydrophobicContact CB-CE2 3.68Å; Q444-F481 HydrophobicContact CB-CZ 3.67Å; Q444-F481 HydrophobicContact CG-CD2 4.33Å; Q444-F481 HydrophobicContact CG-CE1 4.38Å; Q444-F481 HydrophobicContact CG-CE2 3.95Å; Q444-F481 HydrophobicContact CG-CZ 3.97Å; Q444-F481 PolarHBondContact NE2-O 3.24Å; C477-F481 HydrophobicContact CB-CB 3.6Å; C477-F481 HydrophobicContact CB-CD1 3.59Å; C477-F481 HydrophobicContact CB-CD2 4.07Å; C477-F481 HydrophobicContact CB-CE1 4.26Å; C477-F481 HydrophobicContact CB-CG 3.48Å; C477-F481 VanDerWaalsContact CB-CG 3.48Å; G478-F481 PolarHBondContact O-N 3.45Å; Y479-F481 PolarHBondContact O-N 2.94Å; F481-F485 HydrophobicContact CD1-CE2 4.41Å; F481-F485 HydrophobicContact CE1-CE2 4.18Å |
| 482 | T | 93.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -94.3 | -6.6 | -175.9 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | L473 K474 G478 Y479 K484 F485 Q486 | L473-T482 HydrophobicContact CB-CG2 3.77Å; K474-T482 HydrophobicContact CB-CG2 4Å; K474-T482 WeakPolarHBondContact CB-OG1 3.45Å; G478-T482 PolarHBondContact O-OG1 2.82Å; Y479-T482 PolarHBondContact O-N 3.43Å; T482-K484 PolarHBondContact O-N 3.34Å; T482-K484 VanDerWaalsContact O-N 3.11Å; T482-F485 HydrophobicContact CG2-CD2 4.1Å; T482-F485 HydrophobicContact CG2-CE2 4.48Å; T482-F485 WeakPolarHBondContact O-CA 3.42Å; T482-F485 WeakPolarHBondContact O-CB 3.35Å; T482-F485 PolarHBondContact O-N 2.77Å; T482-Q486 PolarHBondContact O-N 2.91Å |
| 483 | S | 94 | Very high | 92.6 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -51.7 | -37.3 | -176.9 | 64 | 0 | 0 | 0 | 0 | 114.6 | Y479 E480 R487 | Y479-S483 WeakPolarHBondContact O-CA 3.37Å; Y479-S483 WeakPolarHBondContact O-CB 3.5Å; Y479-S483 PolarHBondContact O-N 3.46Å; E480-S483 PolarHBondContact O-OG 3.1Å; S483-R487 WeakPolarHBondContact O-CB 3.38Å; S483-R487 WeakPolarHBondContact O-CG 3.24Å; S483-R487 PolarHBondContact O-N 2.69Å; S483-R487 PolarHBondContact O-NE 2.76Å |
| 484 | K | 94.1 | Very high | 92.5 | Very high | 62 Ų | 62 | 54 Ų | 54 | 27% | 0.27 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 175.5 | -68.2 | -176.5 | -178.9 | 175.8 | 0 | 111.3 | T482 R487 M488 | T482-K484 PolarHBondContact O-N 3.34Å; T482-K484 VanDerWaalsContact O-N 3.11Å; K484-R487 PolarHBondContact O-N 3.5Å; K484-M488 VanDerWaalsContact O-CG 3.26Å; K484-M488 WeakPolarHBondContact O-CG 3.3Å; K484-M488 PolarHBondContact O-N 3.32Å |
| 485 | F | 94.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 178.8 | -48.6 | -33.3 | 0 | 0 | 0 | 111.5 | Q444 Y447 Q448 L451 I470 L473 F481 T482 R487 M488 F489 | Q444-F485 HydrophobicContact CB-CZ 4.26Å; Q444-F485 HydrophobicContact CG-CE1 4.1Å; Q444-F485 HydrophobicContact CG-CE2 4.17Å; Q444-F485 HydrophobicContact CG-CZ 3.42Å; Q444-F485 VanDerWaalsContact CG-CZ 3.42Å; Q444-F485 WeakPolarHBondContact O-CE1 3.33Å; Q444-F485 WeakPolarHBondContact O-CZ 3.45Å; Y447-F485 HydrophobicContact CD1-CD1 4.17Å; Y447-F485 HydrophobicContact CD1-CD2 4.09Å; Y447-F485 AromaticContact CD1-CE1 3.94Å; Y447-F485 HydrophobicContact CD1-CE1 3.94Å; Y447-F485 AromaticContact CD1-CE2 3.85Å; Y447-F485 HydrophobicContact CD1-CE2 3.85Å; Y447-F485 HydrophobicContact CD1-CG 4.25Å; Y447-F485 AromaticContact CD1-CZ 3.75Å; Y447-F485 HydrophobicContact CD1-CZ 3.75Å; Y447-F485 HydrophobicContact CE1-CD2 4.33Å; Y447-F485 HydrophobicContact CE1-CE2 4.48Å; Y447-F485 HydrophobicContact CE1-CG 4.45Å; Y447-F485 HydrophobicContact CG-CZ 4.4Å; Q448-F485 HydrophobicContact CB-CD1 4.5Å; Q448-F485 HydrophobicContact CB-CE1 3.82Å; Q448-F485 HydrophobicContact CG-CD1 4.43Å; Q448-F485 HydrophobicContact CG-CE1 4.14Å; L451-F485 HydrophobicContact CD2-CB 3.9Å; L451-F485 HydrophobicContact CD2-CD1 4.15Å; L451-F485 HydrophobicContact CD2-CG 4.28Å; I470-F485 HydrophobicContact CD1-CB 4.06Å; I470-F485 HydrophobicContact CG1-CB 4.07Å; I470-F485 HydrophobicContact CG2-CB 4.29Å; L473-F485 HydrophobicContact CD1-CE2 4.49Å; F481-F485 HydrophobicContact CD1-CE2 4.41Å; F481-F485 HydrophobicContact CE1-CE2 4.18Å; T482-F485 HydrophobicContact CG2-CD2 4.1Å; T482-F485 HydrophobicContact CG2-CE2 4.48Å; T482-F485 WeakPolarHBondContact O-CA 3.42Å; T482-F485 WeakPolarHBondContact O-CB 3.35Å; T482-F485 PolarHBondContact O-N 2.77Å; F485-R487 VanDerWaalsContact C-N 3.31Å; F485-R487 PolarHBondContact O-N 2.8Å; F485-M488 WeakPolarHBondContact O-CB 3.44Å; F485-M488 PolarHBondContact O-N 3.09Å; F485-F489 WeakPolarHBondContact O-CB 3.39Å; F485-F489 PolarHBondContact O-N 3.18Å |
| 486 | Q | 94.9 | Very high | 92.3 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 177.2 | -169.1 | 67.1 | 48.4 | 0 | 0 | 111.4 | T482 F489 N490 | T482-Q486 PolarHBondContact O-N 2.91Å; Q486-F489 PolarHBondContact O-N 3.01Å; Q486-N490 PolarHBondContact NE2-OD1 2.96Å; Q486-N490 WeakPolarHBondContact O-CB 3.49Å; Q486-N490 PolarHBondContact O-N 3.22Å; Q486-N490 PolarHBondContact O-OD1 3.17Å |
| 487 | R | 95.2 | Very high | 92.5 | Very high | 109 Ų | 109 | 48 Ų | 48 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.2 | -78.5 | -170.8 | -77.7 | -151.1 | -2.8 | 112.1 | S483 K484 F485 F489 N490 D491 S526 | S483-R487 WeakPolarHBondContact O-CB 3.38Å; S483-R487 WeakPolarHBondContact O-CG 3.24Å; S483-R487 PolarHBondContact O-N 2.69Å; S483-R487 PolarHBondContact O-NE 2.76Å; K484-R487 PolarHBondContact O-N 3.5Å; F485-R487 VanDerWaalsContact C-N 3.31Å; F485-R487 PolarHBondContact O-N 2.8Å; R487-F489 VanDerWaalsContact C-N 3.31Å; R487-F489 PolarHBondContact O-N 2.98Å; R487-N490 PolarHBondContact O-N 2.67Å; R487-D491 WeakPolarHBondContact O-CB 3.45Å; R487-D491 PolarHBondContact O-N 2.88Å; R487-S526 VanDerWaalsContact CB-OG 3.25Å; R487-S526 WeakPolarHBondContact CB-OG 3.49Å; R487-S526 WeakPolarHBondContact CD-OG 3.32Å; R487-S526 PolarHBondContact NE-OG 3.4Å; R487-S526 VanDerWaalsContact NE-OG 3.09Å |
| 488 | M | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 174.6 | -67.2 | 169.6 | 66.2 | 0 | 0 | 111.6 | Q448 L451 C452 L455 K484 F485 D491 V492 S526 W527 | Q448-M488 HydrophobicContact CG-CE 4.47Å; Q448-M488 HydrophobicContact CG-SD 3.7Å; L451-M488 HydrophobicContact CB-CE 4.4Å; L451-M488 HydrophobicContact CD2-CE 4.25Å; L451-M488 HydrophobicContact CD2-SD 4.34Å; L451-M488 HydrophobicContact CG-CE 4.2Å; C452-M488 HydrophobicContact CB-CE 3.67Å; L455-M488 HydrophobicContact CD1-CB 4.13Å; K484-M488 VanDerWaalsContact O-CG 3.26Å; K484-M488 WeakPolarHBondContact O-CG 3.3Å; K484-M488 PolarHBondContact O-N 3.32Å; F485-M488 WeakPolarHBondContact O-CB 3.44Å; F485-M488 PolarHBondContact O-N 3.09Å; M488-D491 PolarHBondContact O-N 2.96Å; M488-V492 WeakPolarHBondContact O-CG2 3.28Å; M488-V492 PolarHBondContact O-N 2.92Å; M488-S526 VanDerWaalsContact CG-O 3.27Å; M488-S526 WeakPolarHBondContact CG-O 3.4Å; M488-W527 HydrophobicContact CB-CD2 4.27Å; M488-W527 HydrophobicContact CB-CH2 4.17Å; M488-W527 HydrophobicContact CB-CZ2 3.72Å; M488-W527 HydrophobicContact CE-CD2 4.08Å; M488-W527 HydrophobicContact CE-CE3 3.66Å; M488-W527 HydrophobicContact CE-CH2 4.4Å; M488-W527 HydrophobicContact CE-CZ3 3.82Å; M488-W527 HydrophobicContact CG-CD2 3.77Å; M488-W527 HydrophobicContact CG-CE3 4.3Å; M488-W527 HydrophobicContact CG-CG 3.99Å; M488-W527 HydrophobicContact CG-CZ2 4.16Å; M488-W527 WeakPolarHBondContact O-CZ2 3.34Å |
| 489 | F | 92.3 | Very high | 93 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -46.6 | 179.7 | -170.4 | -101.3 | 0 | 0 | 0 | 111.9 | L455 L463 E466 E467 I470 F485 Q486 R487 D491 V492 Q493 | L455-F489 HydrophobicContact CD2-CD2 4.43Å; L463-F489 HydrophobicContact CD1-CD2 4.08Å; L463-F489 HydrophobicContact CD1-CE2 3.26Å; L463-F489 HydrophobicContact CD1-CZ 3.66Å; L463-F489 HydrophobicContact CD2-CZ 4.32Å; L463-F489 HydrophobicContact CG-CE2 3.71Å; L463-F489 HydrophobicContact CG-CZ 3.59Å; E466-F489 HydrophobicContact CB-CD2 4.39Å; E466-F489 HydrophobicContact CB-CE2 3.88Å; E467-F489 HydrophobicContact CB-CE1 4.01Å; E467-F489 HydrophobicContact CB-CE2 4.38Å; E467-F489 HydrophobicContact CB-CZ 3.66Å; E467-F489 HydrophobicContact CG-CE1 4.2Å; E467-F489 HydrophobicContact CG-CZ 4.35Å; I470-F489 HydrophobicContact CD1-CB 4.14Å; I470-F489 HydrophobicContact CD1-CD2 4.19Å; I470-F489 HydrophobicContact CD1-CG 4.28Å; F485-F489 WeakPolarHBondContact O-CB 3.39Å; F485-F489 PolarHBondContact O-N 3.18Å; Q486-F489 PolarHBondContact O-N 3.01Å; R487-F489 VanDerWaalsContact C-N 3.31Å; R487-F489 PolarHBondContact O-N 2.98Å; F489-D491 PolarHBondContact O-N 3.31Å; F489-V492 PolarHBondContact O-N 3.15Å; F489-Q493 HydrophobicContact CD1-CG 4.25Å; F489-Q493 HydrophobicContact CE1-CG 4.11Å; F489-Q493 PolarHBondContact O-N 3.44Å |
| 490 | N | 93.3 | Very high | 93.2 | Very high | 61 Ų | 61 | 44.4 Ų | 44.4 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 177 | -68.4 | 1.2 | 0 | 0 | 0 | 112.2 | Q486 R487 V492 Q493 L494 | Q486-N490 PolarHBondContact NE2-OD1 2.96Å; Q486-N490 WeakPolarHBondContact O-CB 3.49Å; Q486-N490 PolarHBondContact O-N 3.22Å; Q486-N490 PolarHBondContact O-OD1 3.17Å; R487-N490 PolarHBondContact O-N 2.67Å; N490-V492 PolarHBondContact O-N 3.08Å; N490-Q493 PolarHBondContact O-N 3.24Å; N490-Q493 VanDerWaalsContact O-N 3.16Å; N490-L494 VanDerWaalsContact O-CG 3.28Å; N490-L494 WeakPolarHBondContact O-CG 3.45Å; N490-L494 PolarHBondContact O-N 2.8Å |
| 491 | D | 93.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.2 | -37.8 | 178.5 | -73.1 | -15.1 | 0 | 0 | 0 | 111.2 | R487 M488 F489 L522 T523 W527 | R487-D491 WeakPolarHBondContact O-CB 3.45Å; R487-D491 PolarHBondContact O-N 2.88Å; M488-D491 PolarHBondContact O-N 2.96Å; F489-D491 PolarHBondContact O-N 3.31Å; D491-L522 HydrophobicContact CB-CD2 4.23Å; D491-T523 PolarHBondContact OD1-OG1 2.94Å; D491-T523 VanDerWaalsContact OD2-CB 3.27Å; D491-T523 WeakPolarHBondContact OD2-CB 3.49Å; D491-T523 PolarHBondContact OD2-N 3.4Å; D491-T523 PolarHBondContact OD2-OG1 3.49Å; D491-T523 VanDerWaalsContact OD2-OG1 3.1Å; D491-W527 HydrophobicContact CB-CZ2 4.08Å; D491-W527 PolarHBondContact OD2-NE1 2.84Å |
| 492 | V | 90.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -78.7 | -38.4 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | L455 Y459 M488 F489 N490 L494 S495 P496 W527 | L455-V492 HydrophobicContact CB-CG2 4.15Å; L455-V492 HydrophobicContact CD1-CG2 4.21Å; Y459-V492 HydrophobicContact CD2-CG1 3.46Å; Y459-V492 VanDerWaalsContact CD2-CG1 3.46Å; Y459-V492 HydrophobicContact CE2-CB 4.43Å; Y459-V492 HydrophobicContact CE2-CG1 3.13Å; M488-V492 WeakPolarHBondContact O-CG2 3.28Å; M488-V492 PolarHBondContact O-N 2.92Å; F489-V492 PolarHBondContact O-N 3.15Å; N490-V492 PolarHBondContact O-N 3.08Å; V492-L494 PolarHBondContact O-N 2.9Å; V492-S495 WeakPolarHBondContact O-CB 3.29Å; V492-S495 PolarHBondContact O-N 3.35Å; V492-S495 PolarHBondContact O-OG 3.47Å; V492-S495 VanDerWaalsContact O-OG 3.08Å; V492-P496 WeakPolarHBondContact O-CD 3.35Å; V492-W527 HydrophobicContact CG2-CH2 3.52Å; V492-W527 HydrophobicContact CG2-CZ2 3.73Å |
| 493 | Q | 89.3 | Confident | 93.9 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.8 | -27.9 | 174.7 | -75.4 | -173.5 | -34.2 | 0 | 0 | 113.1 | L463 F489 N490 P496 | L463-Q493 HydrophobicContact CD2-CG 4.25Å; F489-Q493 HydrophobicContact CD1-CG 4.25Å; F489-Q493 HydrophobicContact CE1-CG 4.11Å; F489-Q493 PolarHBondContact O-N 3.44Å; N490-Q493 PolarHBondContact O-N 3.24Å; N490-Q493 VanDerWaalsContact O-N 3.16Å; Q493-P496 WeakPolarHBondContact O-CD 3.2Å |
| 494 | L | 91.7 | Very high | 94 | Very high | 118 Ų | 118 | 48.4 Ų | 48.4 | 62% | 0.618 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.2 | 176 | -66.4 | 172.6 | 0 | 0 | 0 | 113.2 | N490 V492 L498 | N490-L494 VanDerWaalsContact O-CG 3.28Å; N490-L494 WeakPolarHBondContact O-CG 3.45Å; N490-L494 PolarHBondContact O-N 2.8Å; V492-L494 PolarHBondContact O-N 2.9Å; L494-L498 PolarHBondContact O-N 3.24Å; L494-L498 VanDerWaalsContact O-N 3.16Å |
| 495 | S | 91.4 | Very high | 94 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | -175 | 85.1 | 0 | 0 | 0 | 0 | 114.2 | V492 E497 L498 N499 H518 | V492-S495 WeakPolarHBondContact O-CB 3.29Å; V492-S495 PolarHBondContact O-N 3.35Å; V492-S495 PolarHBondContact O-OG 3.47Å; V492-S495 VanDerWaalsContact O-OG 3.08Å; S495-E497 VanDerWaalsContact C-N 3.34Å; S495-E497 PolarHBondContact O-N 3.46Å; S495-L498 PolarHBondContact O-N 2.8Å; S495-N499 WeakPolarHBondContact O-CB 3.18Å; S495-N499 PolarHBondContact O-N 3.29Å; S495-N499 PolarHBondContact O-ND2 3.22Å; S495-H518 PolarHBondContact OG-NE2 2.93Å |
| 496 | P | 91.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -43 | -179.9 | -24.8 | 36 | 0 | 0 | 0 | 112.6 | V492 Q493 N499 R500 | V492-P496 WeakPolarHBondContact O-CD 3.35Å; Q493-P496 WeakPolarHBondContact O-CD 3.2Å; P496-N499 PolarHBondContact O-N 3.13Å; P496-R500 WeakPolarHBondContact O-CB 3.09Å; P496-R500 PolarHBondContact O-N 2.88Å |
| 497 | E | 94.9 | Very high | 94.1 | Very high | 76 Ų | 76 | 52 Ų | 52 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.7 | -39.3 | 178.6 | 174 | 58.2 | -169.3 | 0 | 0 | 112.1 | S495 R500 K501 | S495-E497 VanDerWaalsContact C-N 3.34Å; S495-E497 PolarHBondContact O-N 3.46Å; E497-R500 VanDerWaalsContact CD-NH2 3.26Å; E497-R500 PolarHBondContact O-N 3.46Å; E497-R500 IonicContact OE1-CZ 3.5Å; E497-R500 IonicContact OE1-NE 3.55Å; E497-R500 IonicContact OE1-NH2 2.78Å; E497-R500 PolarHBondContact OE1-NH2 3.42Å; E497-R500 IonicContact OE2-CZ 3.79Å; E497-R500 IonicContact OE2-NE 3.59Å; E497-R500 PolarHBondContact OE2-NE 3.36Å; E497-R500 IonicContact OE2-NH2 3.36Å; E497-R500 PolarHBondContact OE2-NH2 3.26Å; E497-R500 VanDerWaalsContact OE2-NH2 3.09Å; E497-K501 WeakPolarHBondContact O-CG 3.5Å; E497-K501 PolarHBondContact O-N 3.09Å; E497-K501 VanDerWaalsContact O-N 3.09Å; E497-K501 WeakPolarHBondContact OE1-CE 3.34Å; E497-K501 IonicContact OE1-NZ 2.76Å; E497-K501 PolarHBondContact OE1-NZ 3.47Å |
| 498 | L | 94.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.6 | -178 | 66.3 | 0 | 0 | 0 | 111.6 | L494 S495 K501 F502 V521 F550 F553 Y554 | L494-L498 PolarHBondContact O-N 3.24Å; L494-L498 VanDerWaalsContact O-N 3.16Å; S495-L498 PolarHBondContact O-N 2.8Å; L498-K501 PolarHBondContact O-N 3.32Å; L498-F502 PolarHBondContact O-N 2.7Å; L498-V521 HydrophobicContact CD2-CB 3.94Å; L498-V521 HydrophobicContact CD2-CG2 3.43Å; L498-V521 VanDerWaalsContact CD2-CG2 3.43Å; L498-F550 HydrophobicContact CD2-CZ 4.05Å; L498-F553 HydrophobicContact CD1-CE1 3.82Å; L498-F553 HydrophobicContact CD1-CZ 4.18Å; L498-Y554 HydrophobicContact CD1-CD2 4.34Å |
| 499 | N | 95.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.4 | -35 | 179.2 | -77.7 | -75.3 | 0 | 0 | 0 | 112.6 | S495 P496 F502 T503 H518 F519 | S495-N499 WeakPolarHBondContact O-CB 3.18Å; S495-N499 PolarHBondContact O-N 3.29Å; S495-N499 PolarHBondContact O-ND2 3.22Å; P496-N499 PolarHBondContact O-N 3.13Å; N499-F502 PolarHBondContact O-N 3.43Å; N499-T503 PolarHBondContact O-N 3.04Å; N499-T503 PolarHBondContact O-OG1 2.89Å; N499-H518 PolarHBondContact ND2-CE1 3.42Å; N499-H518 VanDerWaalsContact ND2-CE1 3.35Å; N499-H518 WeakPolarHBondContact OD1-CA 3.22Å; N499-F519 PolarHBondContact ND2-N 3.23Å; N499-F519 PolarHBondContact ND2-O 3.04Å; N499-F519 PolarHBondContact OD1-N 3.42Å |
| 500 | R | 96.1 | Very high | 94.1 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 171.7 | -172.6 | -171.7 | 66.1 | 74.6 | 2.8 | 110.9 | P496 E497 F502 T503 E504 | P496-R500 WeakPolarHBondContact O-CB 3.09Å; P496-R500 PolarHBondContact O-N 2.88Å; E497-R500 VanDerWaalsContact CD-NH2 3.26Å; E497-R500 PolarHBondContact O-N 3.46Å; E497-R500 IonicContact OE1-CZ 3.5Å; E497-R500 IonicContact OE1-NE 3.55Å; E497-R500 IonicContact OE1-NH2 2.78Å; E497-R500 PolarHBondContact OE1-NH2 3.42Å; E497-R500 IonicContact OE2-CZ 3.79Å; E497-R500 IonicContact OE2-NE 3.59Å; E497-R500 PolarHBondContact OE2-NE 3.36Å; E497-R500 IonicContact OE2-NH2 3.36Å; E497-R500 PolarHBondContact OE2-NH2 3.26Å; E497-R500 VanDerWaalsContact OE2-NH2 3.09Å; R500-F502 VanDerWaalsContact C-N 3.31Å; R500-F502 PolarHBondContact O-N 2.91Å; R500-T503 WeakPolarHBondContact O-CB 3.26Å; R500-T503 PolarHBondContact O-N 3.24Å; R500-T503 VanDerWaalsContact O-N 3.17Å; R500-E504 IonicContact CZ-OE1 3.54Å; R500-E504 IonicContact CZ-OE2 2.91Å; R500-E504 IonicContact NH1-OE1 3.16Å; R500-E504 PolarHBondContact NH1-OE1 3.47Å; R500-E504 IonicContact NH1-OE2 3.15Å; R500-E504 PolarHBondContact NH1-OE2 3.1Å; R500-E504 PolarHBondContact O-N 3.41Å |
| 501 | K | 96.5 | Very high | 94.2 | Very high | 99 Ų | 99 | 61.3 Ų | 61.3 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 176.4 | -74.2 | 175.8 | 172.1 | 155.6 | 0 | 112.9 | E497 L498 E504 Y505 F553 | E497-K501 WeakPolarHBondContact O-CG 3.5Å; E497-K501 PolarHBondContact O-N 3.09Å; E497-K501 VanDerWaalsContact O-N 3.09Å; E497-K501 WeakPolarHBondContact OE1-CE 3.34Å; E497-K501 IonicContact OE1-NZ 2.76Å; E497-K501 PolarHBondContact OE1-NZ 3.47Å; L498-K501 PolarHBondContact O-N 3.32Å; K501-E504 PolarHBondContact O-N 3.49Å; K501-Y505 PolarHBondContact O-N 2.86Å; K501-F553 HydrophobicContact CB-CE2 4.14Å; K501-F553 HydrophobicContact CB-CZ 3.76Å |
| 502 | F | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.5 | -179 | -120.2 | 0 | 0 | 0 | 112.1 | L498 N499 R500 E504 Y505 L506 H517 F519 H549 F550 F553 | L498-F502 PolarHBondContact O-N 2.7Å; N499-F502 PolarHBondContact O-N 3.43Å; R500-F502 VanDerWaalsContact C-N 3.31Å; R500-F502 PolarHBondContact O-N 2.91Å; F502-E504 VanDerWaalsContact C-N 3.31Å; F502-E504 PolarHBondContact O-N 3.35Å; F502-Y505 HydrophobicContact CD2-CD1 4.07Å; F502-Y505 AromaticContact CE2-CD1 3.99Å; F502-Y505 HydrophobicContact CE2-CD1 3.99Å; F502-Y505 HydrophobicContact CE2-CE1 4.43Å; F502-Y505 WeakPolarHBondContact O-CB 3.22Å; F502-Y505 PolarHBondContact O-N 3.3Å; F502-L506 HydrophobicContact CD1-CD1 4.12Å; F502-L506 HydrophobicContact CD1-CG 4.49Å; F502-L506 HydrophobicContact CD2-CG 4.47Å; F502-L506 HydrophobicContact CE1-CD1 3.6Å; F502-L506 HydrophobicContact CE1-CD2 4.45Å; F502-L506 HydrophobicContact CE1-CG 4.08Å; F502-L506 HydrophobicContact CE2-CD1 4.46Å; F502-L506 HydrophobicContact CE2-CD2 4Å; F502-L506 HydrophobicContact CE2-CG 4.05Å; F502-L506 HydrophobicContact CZ-CD1 3.82Å; F502-L506 HydrophobicContact CZ-CD2 3.79Å; F502-L506 HydrophobicContact CZ-CG 3.86Å; F502-L506 WeakPolarHBondContact O-CG 3.49Å; F502-L506 PolarHBondContact O-N 2.82Å; F502-H517 AromaticContact CD1-CD2 3.61Å; F502-H517 AromaticContact CD1-NE2 3.72Å; F502-H517 AromaticContact CE1-CD2 3.6Å; F502-H517 AromaticContact CE1-NE2 3.78Å; F502-F519 HydrophobicContact CD1-CD2 4.15Å; F502-F519 HydrophobicContact CD1-CE2 4.02Å; F502-F519 HydrophobicContact CE1-CD2 4.18Å; F502-F519 AromaticContact CE1-CE2 3.58Å; F502-F519 HydrophobicContact CE1-CE2 3.58Å; F502-F519 HydrophobicContact CE1-CZ 4.41Å; F502-F519 HydrophobicContact CZ-CE2 4.37Å; F502-H549 HydrophobicContact CE2-CB 4.46Å; F502-H549 HydrophobicContact CZ-CB 4.44Å; F502-F550 HydrophobicContact CB-CD2 4.41Å; F502-F550 HydrophobicContact CB-CE2 4.41Å; F502-F550 AromaticContact CD1-CD2 3.9Å; F502-F550 HydrophobicContact CD1-CD2 3.9Å; F502-F550 AromaticContact CD2-CD2 3.81Å; F502-F550 HydrophobicContact CD2-CD2 3.81Å; F502-F550 HydrophobicContact CE1-CB 4.47Å; F502-F550 HydrophobicContact CE1-CD2 4.06Å; F502-F550 VanDerWaalsContact CE2-CA 3.49Å; F502-F550 HydrophobicContact CE2-CB 3.97Å; F502-F550 AromaticContact CE2-CD2 3.99Å; F502-F550 HydrophobicContact CE2-CD2 3.99Å; F502-F550 HydrophobicContact CE2-CG 4.46Å; F502-F550 AromaticContact CG-CD2 3.76Å; F502-F550 HydrophobicContact CG-CD2 3.76Å; F502-F550 HydrophobicContact CG-CE2 4.24Å; F502-F550 HydrophobicContact CZ-CB 3.87Å; F502-F550 HydrophobicContact CZ-CD2 4.09Å; F502-F553 HydrophobicContact CB-CD1 4.05Å; F502-F553 HydrophobicContact CB-CE1 3.8Å; F502-F553 HydrophobicContact CB-CZ 4.17Å; F502-F553 HydrophobicContact CD2-CB 3.86Å; F502-F553 AromaticContact CD2-CD1 3.58Å; F502-F553 HydrophobicContact CD2-CD1 3.58Å; F502-F553 HydrophobicContact CD2-CD2 4.42Å; F502-F553 HydrophobicContact CD2-CE1 4.22Å; F502-F553 AromaticContact CD2-CG 3.7Å; F502-F553 HydrophobicContact CD2-CG 3.7Å; F502-F553 HydrophobicContact CE2-CB 4.12Å; F502-F553 HydrophobicContact CE2-CD1 4.47Å; F502-F553 HydrophobicContact CE2-CG 4.44Å; F502-F553 HydrophobicContact CG-CD1 4.19Å; F502-F553 HydrophobicContact CG-CE1 4.43Å |
| 503 | T | 95.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 72.7 Ų | 72.7 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 175 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | N499 R500 L506 Q507 | N499-T503 PolarHBondContact O-N 3.04Å; N499-T503 PolarHBondContact O-OG1 2.89Å; R500-T503 WeakPolarHBondContact O-CB 3.26Å; R500-T503 PolarHBondContact O-N 3.24Å; R500-T503 VanDerWaalsContact O-N 3.17Å; T503-L506 PolarHBondContact O-N 2.86Å; T503-Q507 WeakPolarHBondContact O-CG 3.43Å; T503-Q507 PolarHBondContact O-N 3.36Å |
| 504 | E | 95.6 | Very high | 94.1 | Very high | 90 Ų | 90 | 76 Ų | 76 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 174.4 | -70.2 | 171.1 | 173.7 | 0 | 0 | 112.2 | R500 K501 F502 Q507 S508 | R500-E504 IonicContact CZ-OE1 3.54Å; R500-E504 IonicContact CZ-OE2 2.91Å; R500-E504 IonicContact NH1-OE1 3.16Å; R500-E504 PolarHBondContact NH1-OE1 3.47Å; R500-E504 IonicContact NH1-OE2 3.15Å; R500-E504 PolarHBondContact NH1-OE2 3.1Å; R500-E504 PolarHBondContact O-N 3.41Å; K501-E504 PolarHBondContact O-N 3.49Å; F502-E504 VanDerWaalsContact C-N 3.31Å; F502-E504 PolarHBondContact O-N 3.35Å; E504-Q507 PolarHBondContact O-N 2.64Å; E504-S508 PolarHBondContact O-N 3.17Å |
| 505 | Y | 96.1 | Very high | 94.1 | Very high | 34 Ų | 34 | 73.3 Ų | 73.3 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 173.5 | 169.3 | -91.2 | 0 | 0 | 0 | 111.7 | K501 F502 Q507 S508 K509 H549 E552 F553 | K501-Y505 PolarHBondContact O-N 2.86Å; F502-Y505 HydrophobicContact CD2-CD1 4.07Å; F502-Y505 AromaticContact CE2-CD1 3.99Å; F502-Y505 HydrophobicContact CE2-CD1 3.99Å; F502-Y505 HydrophobicContact CE2-CE1 4.43Å; F502-Y505 WeakPolarHBondContact O-CB 3.22Å; F502-Y505 PolarHBondContact O-N 3.3Å; Y505-Q507 VanDerWaalsContact C-N 3.34Å; Y505-Q507 PolarHBondContact O-N 3.03Å; Y505-S508 PolarHBondContact O-N 3.39Å; Y505-S508 VanDerWaalsContact O-N 3.16Å; Y505-S508 PolarHBondContact O-OG 3.38Å; Y505-K509 HydrophobicContact CE1-CG 4.31Å; Y505-K509 HydrophobicContact CE2-CG 4.25Å; Y505-K509 PolarHBondContact O-N 3Å; Y505-H549 HydrophobicContact CE1-CB 4.49Å; Y505-E552 PolarHBondContact OH-OE1 3.22Å; Y505-E552 PolarHBondContact OH-OE2 3.44Å; Y505-E552 VanDerWaalsContact OH-OE2 3.05Å; Y505-F553 HydrophobicContact CD1-CB 3.85Å; Y505-F553 HydrophobicContact CD1-CD2 4.36Å; Y505-F553 HydrophobicContact CD1-CG 4.38Å; Y505-F553 HydrophobicContact CD2-CB 4.23Å; Y505-F553 AromaticContact CD2-CD2 3.97Å; Y505-F553 HydrophobicContact CD2-CD2 3.97Å; Y505-F553 HydrophobicContact CE1-CB 3.97Å; Y505-F553 HydrophobicContact CE2-CB 4.32Å; Y505-F553 HydrophobicContact CG-CB 3.99Å; Y505-F553 AromaticContact CG-CD2 3.74Å; Y505-F553 HydrophobicContact CG-CD2 3.74Å; Y505-F553 HydrophobicContact CG-CG 4.2Å |
| 506 | L | 96 | Very high | 94.1 | Very high | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.037 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 177.2 | -69.2 | 178.9 | 0 | 0 | 0 | 112 | F502 T503 S508 K509 D510 I511 F513 H517 H549 | F502-L506 HydrophobicContact CD1-CD1 4.12Å; F502-L506 HydrophobicContact CD1-CG 4.49Å; F502-L506 HydrophobicContact CD2-CG 4.47Å; F502-L506 HydrophobicContact CE1-CD1 3.6Å; F502-L506 HydrophobicContact CE1-CD2 4.45Å; F502-L506 HydrophobicContact CE1-CG 4.08Å; F502-L506 HydrophobicContact CE2-CD1 4.46Å; F502-L506 HydrophobicContact CE2-CD2 4Å; F502-L506 HydrophobicContact CE2-CG 4.05Å; F502-L506 HydrophobicContact CZ-CD1 3.82Å; F502-L506 HydrophobicContact CZ-CD2 3.79Å; F502-L506 HydrophobicContact CZ-CG 3.86Å; F502-L506 WeakPolarHBondContact O-CG 3.49Å; F502-L506 PolarHBondContact O-N 2.82Å; T503-L506 PolarHBondContact O-N 2.86Å; L506-S508 VanDerWaalsContact C-N 3.32Å; L506-S508 PolarHBondContact O-N 2.6Å; L506-K509 PolarHBondContact O-N 3.39Å; L506-D510 PolarHBondContact O-N 3.23Å; L506-D510 VanDerWaalsContact O-N 3.15Å; L506-I511 HydrophobicContact CD2-CB 4.02Å; L506-I511 HydrophobicContact CD2-CD1 4.4Å; L506-I511 HydrophobicContact CD2-CG2 3.95Å; L506-I511 PolarHBondContact O-N 3.38Å; L506-F513 HydrophobicContact CD1-CD2 3.98Å; L506-F513 HydrophobicContact CD1-CE2 3.93Å; L506-F513 HydrophobicContact CD2-CE2 3.9Å; L506-H517 VanDerWaalsContact CD1-CE1 3.47Å; L506-H517 WeakPolarHBondContact CD1-CE1 3.44Å; L506-H517 WeakPolarHBondContact CD1-NE2 3.36Å; L506-H549 HydrophobicContact CD2-CB 4.24Å |
| 507 | Q | 94.7 | Very high | 94.1 | Very high | 138 Ų | 138 | 76.3 Ų | 76.3 | 65% | 0.645 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.2 | -40.5 | 174.6 | -72.3 | 173.9 | 6.4 | 0 | 0 | 112 | T503 E504 Y505 K509 D510 | T503-Q507 WeakPolarHBondContact O-CG 3.43Å; T503-Q507 PolarHBondContact O-N 3.36Å; E504-Q507 PolarHBondContact O-N 2.64Å; Y505-Q507 VanDerWaalsContact C-N 3.34Å; Y505-Q507 PolarHBondContact O-N 3.03Å; Q507-K509 PolarHBondContact O-N 2.99Å; Q507-D510 PolarHBondContact O-N 2.9Å |
| 508 | S | 95.2 | Very high | 94 | Very high | 92 Ų | 92 | 77.3 Ų | 77.3 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.4 | -24.7 | 178.6 | 77.9 | 0 | 0 | 0 | 0 | 113.9 | E504 Y505 L506 | E504-S508 PolarHBondContact O-N 3.17Å; Y505-S508 PolarHBondContact O-N 3.39Å; Y505-S508 VanDerWaalsContact O-N 3.16Å; Y505-S508 PolarHBondContact O-OG 3.38Å; L506-S508 VanDerWaalsContact C-N 3.32Å; L506-S508 PolarHBondContact O-N 2.6Å |
| 509 | K | 93.7 | Very high | 93.9 | Very high | 112 Ų | 112 | 77.2 Ų | 77.2 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 0.4 | 178.4 | -67.4 | -73.1 | -169.7 | 162.5 | 0 | 113.3 | Y505 L506 Q507 I511 E552 | Y505-K509 HydrophobicContact CE1-CG 4.31Å; Y505-K509 HydrophobicContact CE2-CG 4.25Å; Y505-K509 PolarHBondContact O-N 3Å; L506-K509 PolarHBondContact O-N 3.39Å; Q507-K509 PolarHBondContact O-N 2.99Å; K509-I511 HydrophobicContact CB-CD1 3.6Å; K509-I511 HydrophobicContact CB-CG1 3.86Å; K509-I511 HydrophobicContact CG-CD1 4.36Å; K509-I511 PolarHBondContact O-N 2.83Å; K509-E552 IonicContact NZ-OE1 3.71Å |
| 510 | D | 94 | Very high | 93.7 | Very high | 124 Ų | 124 | 79.6 Ų | 79.6 | 66% | 0.663 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34.5 | -171.4 | -161.6 | 34.8 | 0 | 0 | 0 | 113.8 | L506 Q507 | L506-D510 PolarHBondContact O-N 3.23Å; L506-D510 VanDerWaalsContact O-N 3.15Å; Q507-D510 PolarHBondContact O-N 2.9Å |
| 511 | I | 93.9 | Very high | 93.6 | Very high | 38 Ų | 38 | 76.2 Ų | 76.2 | 20% | 0.195 | 39% | 0.392 | C | S | . | . | trans | -95.3 | 127.1 | 177 | -61.5 | 164.1 | 0 | 0 | 0 | 108.5 | L506 K509 F513 H549 | L506-I511 HydrophobicContact CD2-CB 4.02Å; L506-I511 HydrophobicContact CD2-CD1 4.4Å; L506-I511 HydrophobicContact CD2-CG2 3.95Å; L506-I511 PolarHBondContact O-N 3.38Å; K509-I511 HydrophobicContact CB-CD1 3.6Å; K509-I511 HydrophobicContact CB-CG1 3.86Å; K509-I511 HydrophobicContact CG-CD1 4.36Å; K509-I511 PolarHBondContact O-N 2.83Å; I511-F513 HydrophobicContact CG2-CD2 4.46Å; I511-F513 HydrophobicContact CG2-CE2 3.79Å; I511-F513 HydrophobicContact CG2-CZ 3.87Å; I511-H549 VanDerWaalsContact CD1-CE1 3.41Å; I511-H549 WeakPolarHBondContact CD1-CE1 3.48Å | ||
| 512 | R | 91 | Very high | 93.5 | Very high | 218 Ų | 218 | 73.9 Ų | 73.9 | 82% | 0.823 | 38% | 0.384 | S | S | * | . | trans | -128.1 | 130.4 | 177.4 | -59.4 | -171.5 | -173.5 | -164 | 0.7 | 110.7 | ||||
| 513 | F | 92.6 | Very high | 93.3 | Very high | 44 Ų | 44 | 76.8 Ų | 76.8 | 19% | 0.193 | 40% | 0.402 | C | S | . | . | trans | -100.9 | 148.1 | 170.9 | -64 | -73.8 | 0 | 0 | 0 | 109.9 | L506 I511 F515 T545 C546 | L506-F513 HydrophobicContact CD1-CD2 3.98Å; L506-F513 HydrophobicContact CD1-CE2 3.93Å; L506-F513 HydrophobicContact CD2-CE2 3.9Å; I511-F513 HydrophobicContact CG2-CD2 4.46Å; I511-F513 HydrophobicContact CG2-CE2 3.79Å; I511-F513 HydrophobicContact CG2-CZ 3.87Å; F513-F515 HydrophobicContact CB-CD1 4.11Å; F513-F515 HydrophobicContact CB-CE1 3.87Å; F513-F515 HydrophobicContact CB-CE2 4.45Å; F513-F515 HydrophobicContact CB-CG 4.5Å; F513-F515 HydrophobicContact CB-CZ 4.06Å; F513-F515 AromaticContact CD1-CE1 3.87Å; F513-F515 HydrophobicContact CD1-CE1 3.87Å; F513-F515 AromaticContact CD1-CZ 3.85Å; F513-F515 HydrophobicContact CD1-CZ 3.85Å; F513-F515 HydrophobicContact CG-CE1 4.18Å; F513-F515 HydrophobicContact CG-CZ 4.05Å; F513-F515 PolarHBondContact O-N 3.07Å; F513-T545 HydrophobicContact CE1-CG2 4.14Å; F513-T545 HydrophobicContact CZ-CG2 4.34Å; F513-C546 HydrophobicContact CD1-CB 4.21Å; F513-C546 HydrophobicContact CD2-CB 4.46Å; F513-C546 HydrophobicContact CE1-CB 3.74Å; F513-C546 HydrophobicContact CE2-CB 4.01Å; F513-C546 VanDerWaalsContact CZ-CA 3.41Å; F513-C546 HydrophobicContact CZ-CB 3.65Å | ||
| 514 | T | 88 | Confident | 93 | Very high | 147 Ų | 147 | 80.4 Ų | 80.4 | 90% | 0.902 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -78 | 0.2 | 177.3 | 52 | 0 | 0 | 0 | 0 | 113.2 | ||
| 515 | F | 91.6 | Very high | 92.7 | Very high | 62 Ų | 62 | 81 Ų | 81 | 27% | 0.272 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -132.6 | 154.1 | -176.7 | 58.7 | -88.7 | 0 | 0 | 0 | 111.5 | F513 E542 L543 C546 | F513-F515 HydrophobicContact CB-CD1 4.11Å; F513-F515 HydrophobicContact CB-CE1 3.87Å; F513-F515 HydrophobicContact CB-CE2 4.45Å; F513-F515 HydrophobicContact CB-CG 4.5Å; F513-F515 HydrophobicContact CB-CZ 4.06Å; F513-F515 AromaticContact CD1-CE1 3.87Å; F513-F515 HydrophobicContact CD1-CE1 3.87Å; F513-F515 AromaticContact CD1-CZ 3.85Å; F513-F515 HydrophobicContact CD1-CZ 3.85Å; F513-F515 HydrophobicContact CG-CE1 4.18Å; F513-F515 HydrophobicContact CG-CZ 4.05Å; F513-F515 PolarHBondContact O-N 3.07Å; F515-E542 HydrophobicContact CE1-CB 4.02Å; F515-L543 HydrophobicContact CE1-CD2 4.46Å; F515-L543 HydrophobicContact CE2-CD2 3.88Å; F515-L543 HydrophobicContact CZ-CD2 3.85Å; F515-C546 HydrophobicContact CE2-CB 4.36Å; F515-C546 HydrophobicContact CZ-CB 3.96Å |
| 516 | G | 91.5 | Very high | 92.4 | Very high | 77 Ų | 77 | 79.4 Ų | 79.4 | 79% | 0.794 | 42% | 0.422 | S | S | * | . | trans | -73.6 | 142.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 517 | H | 92.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 79.6 Ų | 79.6 | 22% | 0.222 | 42% | 0.422 | C | S | . | . | trans | -128.4 | 140.5 | -179 | 49.8 | -90.1 | 0 | 0 | 0 | 110.8 | F502 L506 F519 | F502-H517 AromaticContact CD1-CD2 3.61Å; F502-H517 AromaticContact CD1-NE2 3.72Å; F502-H517 AromaticContact CE1-CD2 3.6Å; F502-H517 AromaticContact CE1-NE2 3.78Å; L506-H517 VanDerWaalsContact CD1-CE1 3.47Å; L506-H517 WeakPolarHBondContact CD1-CE1 3.44Å; L506-H517 WeakPolarHBondContact CD1-NE2 3.36Å; H517-F519 HydrophobicContact CB-CE2 3.96Å | ||
| 518 | H | 91.9 | Very high | 91.8 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | trans | -144.2 | 122.5 | 174.8 | -167.3 | 88.4 | 0 | 0 | 0 | 109.6 | S495 N499 H520 | S495-H518 PolarHBondContact OG-NE2 2.93Å; N499-H518 PolarHBondContact ND2-CE1 3.42Å; N499-H518 VanDerWaalsContact ND2-CE1 3.35Å; N499-H518 WeakPolarHBondContact OD1-CA 3.22Å; H518-H520 AromaticContact CD2-CE1 3.58Å; H518-H520 AromaticContact CD2-NE2 3.53Å; H518-H520 AromaticContact NE2-CE1 3.4Å; H518-H520 PolarHBondContact NE2-CE1 3.48Å; H518-H520 AromaticContact NE2-ND1 3.97Å; H518-H520 AromaticContact NE2-NE2 3.85Å | ||
| 519 | F | 93.6 | Very high | 91.3 | Very high | 23 Ų | 23 | 71.1 Ų | 71.1 | 10% | 0.101 | 38% | 0.375 | C | S | . | . | trans | -109.2 | 137.2 | -176.7 | -68.2 | -90.2 | 0 | 0 | 0 | 111.2 | N499 F502 H517 T547 F550 W565 | N499-F519 PolarHBondContact ND2-N 3.23Å; N499-F519 PolarHBondContact ND2-O 3.04Å; N499-F519 PolarHBondContact OD1-N 3.42Å; F502-F519 HydrophobicContact CD1-CD2 4.15Å; F502-F519 HydrophobicContact CD1-CE2 4.02Å; F502-F519 HydrophobicContact CE1-CD2 4.18Å; F502-F519 AromaticContact CE1-CE2 3.58Å; F502-F519 HydrophobicContact CE1-CE2 3.58Å; F502-F519 HydrophobicContact CE1-CZ 4.41Å; F502-F519 HydrophobicContact CZ-CE2 4.37Å; H517-F519 HydrophobicContact CB-CE2 3.96Å; F519-T547 HydrophobicContact CE1-CG2 4.39Å; F519-F550 HydrophobicContact CB-CD2 4.08Å; F519-F550 HydrophobicContact CB-CE1 4.16Å; F519-F550 HydrophobicContact CB-CE2 3.48Å; F519-F550 VanDerWaalsContact CB-CE2 3.48Å; F519-F550 HydrophobicContact CB-CZ 3.51Å; F519-F550 HydrophobicContact CD1-CB 4.42Å; F519-F550 AromaticContact CD1-CD1 3.93Å; F519-F550 HydrophobicContact CD1-CD1 3.93Å; F519-F550 AromaticContact CD1-CD2 3.94Å; F519-F550 HydrophobicContact CD1-CD2 3.94Å; F519-F550 HydrophobicContact CD1-CE1 4.11Å; F519-F550 HydrophobicContact CD1-CE2 4.15Å; F519-F550 AromaticContact CD1-CG 3.82Å; F519-F550 HydrophobicContact CD1-CG 3.82Å; F519-F550 HydrophobicContact CD1-CZ 4.22Å; F519-F550 AromaticContact CD2-CD2 3.51Å; F519-F550 HydrophobicContact CD2-CD2 3.51Å; F519-F550 AromaticContact CD2-CE2 3.73Å; F519-F550 HydrophobicContact CD2-CE2 3.73Å; F519-F550 HydrophobicContact CD2-CG 4.15Å; F519-F550 HydrophobicContact CE1-CB 3.99Å; F519-F550 HydrophobicContact CE1-CD1 4.25Å; F519-F550 HydrophobicContact CE1-CD2 4.24Å; F519-F550 AromaticContact CE1-CG 3.89Å; F519-F550 HydrophobicContact CE1-CG 3.89Å; F519-F550 HydrophobicContact CE2-CB 4.3Å; F519-F550 AromaticContact CE2-CD2 3.84Å; F519-F550 HydrophobicContact CE2-CD2 3.84Å; F519-F550 HydrophobicContact CE2-CG 4.21Å; F519-F550 HydrophobicContact CG-CD1 4.28Å; F519-F550 AromaticContact CG-CD2 3.56Å; F519-F550 HydrophobicContact CG-CD2 3.56Å; F519-F550 HydrophobicContact CG-CE1 4.22Å; F519-F550 AromaticContact CG-CE2 3.51Å; F519-F550 HydrophobicContact CG-CE2 3.51Å; F519-F550 AromaticContact CG-CG 3.95Å; F519-F550 HydrophobicContact CG-CG 3.95Å; F519-F550 AromaticContact CG-CZ 3.85Å; F519-F550 HydrophobicContact CG-CZ 3.85Å; F519-F550 HydrophobicContact CZ-CB 3.92Å; F519-F550 HydrophobicContact CZ-CD2 4.19Å; F519-F550 HydrophobicContact CZ-CG 4.09Å; F519-W565 AromaticContact CD1-CH2 3.81Å; F519-W565 HydrophobicContact CD1-CH2 3.81Å; F519-W565 AromaticContact CD1-CZ3 3.8Å; F519-W565 HydrophobicContact CD1-CZ3 3.8Å; F519-W565 AromaticContact CE1-CH2 3.58Å; F519-W565 HydrophobicContact CE1-CH2 3.58Å; F519-W565 AromaticContact CE1-CZ3 3.75Å; F519-W565 HydrophobicContact CE1-CZ3 3.75Å | ||
| 520 | H | 91.6 | Very high | 90.6 | Very high | 60 Ų | 60 | 68.4 Ų | 68.4 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | trans | -109.6 | 122.4 | 168.2 | -65.8 | -69 | 0 | 0 | 0 | 109.3 | H518 L522 | H518-H520 AromaticContact CD2-CE1 3.58Å; H518-H520 AromaticContact CD2-NE2 3.53Å; H518-H520 AromaticContact NE2-CE1 3.4Å; H518-H520 PolarHBondContact NE2-CE1 3.48Å; H518-H520 AromaticContact NE2-ND1 3.97Å; H518-H520 AromaticContact NE2-NE2 3.85Å; H520-L522 HydrophobicContact CB-CD2 3.79Å; H520-L522 HydrophobicContact CB-CG 4.13Å | ||
| 521 | V | 93.7 | Very high | 89.8 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 22% | 0.218 | 35% | 0.353 | C | S | . | . | trans | -100.6 | 113 | 172 | 174.8 | 0 | 0 | 0 | 0 | 108.3 | L498 F550 Y554 M563 | L498-V521 HydrophobicContact CD2-CB 3.94Å; L498-V521 HydrophobicContact CD2-CG2 3.43Å; L498-V521 VanDerWaalsContact CD2-CG2 3.43Å; V521-F550 HydrophobicContact CG2-CE1 3.94Å; V521-F550 HydrophobicContact CG2-CZ 3.82Å; V521-Y554 HydrophobicContact CB-CE2 4.38Å; V521-Y554 HydrophobicContact CG1-CE2 3.88Å; V521-Y554 WeakPolarHBondContact CG1-OH 3.18Å; V521-Y554 HydrophobicContact CG2-CD2 4.21Å; V521-Y554 HydrophobicContact CG2-CE2 3.92Å; V521-M563 HydrophobicContact CG2-CE 4.47Å | ||
| 522 | L | 93.8 | Very high | 88.7 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 26% | 0.262 | 37% | 0.37 | S | S | . | . | trans | -115 | 133.5 | -167.2 | -54.2 | -174.2 | 0 | 0 | 0 | 111.4 | D491 H520 Q524 W527 I529 | D491-L522 HydrophobicContact CB-CD2 4.23Å; H520-L522 HydrophobicContact CB-CD2 3.79Å; H520-L522 HydrophobicContact CB-CG 4.13Å; L522-Q524 PolarHBondContact O-N 3.34Å; L522-W527 HydrophobicContact CB-CD2 4.13Å; L522-W527 HydrophobicContact CB-CG 4.01Å; L522-W527 HydrophobicContact CD1-CD2 3.88Å; L522-W527 HydrophobicContact CD1-CE3 3.93Å; L522-W527 HydrophobicContact CD1-CG 4.38Å; L522-W527 HydrophobicContact CD1-CH2 4.43Å; L522-W527 HydrophobicContact CD1-CZ2 4.37Å; L522-W527 HydrophobicContact CD1-CZ3 4.23Å; L522-W527 HydrophobicContact CD2-CD2 4.24Å; L522-W527 HydrophobicContact CD2-CH2 3.93Å; L522-W527 HydrophobicContact CD2-CZ2 3.39Å; L522-W527 HydrophobicContact CG-CD2 4.3Å; L522-W527 HydrophobicContact CG-CZ2 4.32Å; L522-I529 HydrophobicContact CD1-CD1 3.62Å | ||
| 523 | T | 93 | Very high | 87.7 | Confident | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | trans | -74.8 | 103.4 | 180 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | D491 C525 S526 W527 | D491-T523 PolarHBondContact OD1-OG1 2.94Å; D491-T523 VanDerWaalsContact OD2-CB 3.27Å; D491-T523 WeakPolarHBondContact OD2-CB 3.49Å; D491-T523 PolarHBondContact OD2-N 3.4Å; D491-T523 PolarHBondContact OD2-OG1 3.49Å; D491-T523 VanDerWaalsContact OD2-OG1 3.1Å; T523-C525 VanDerWaalsContact C-N 3.32Å; T523-C525 PolarHBondContact O-N 2.99Å; T523-S526 WeakPolarHBondContact O-CB 3.48Å; T523-S526 PolarHBondContact O-N 3.21Å; T523-W527 VanDerWaalsContact O-CD1 3.31Å; T523-W527 PolarHBondContact O-N 3.35Å | ||
| 524 | Q | 88.9 | Confident | 86.9 | Confident | 130 Ų | 130 | 58.2 Ų | 58.2 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.6 | -45.9 | -170.1 | -171.4 | 178.5 | -11.6 | 0 | 0 | 115.7 | L522 S526 | L522-Q524 PolarHBondContact O-N 3.34Å; Q524-S526 VanDerWaalsContact C-N 3.27Å; Q524-S526 PolarHBondContact O-N 3.12Å |
| 525 | C | 88 | Confident | 86.5 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17.1 | -177.2 | -58.9 | 0 | 0 | 0 | 0 | 114.7 | T523 | T523-C525 VanDerWaalsContact C-N 3.32Å; T523-C525 PolarHBondContact O-N 2.99Å |
| 526 | S | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -23.8 | -177.6 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | Q448 R487 M488 T523 Q524 | Q448-S526 PolarHBondContact NE2-O 2.88Å; R487-S526 VanDerWaalsContact CB-OG 3.25Å; R487-S526 WeakPolarHBondContact CB-OG 3.49Å; R487-S526 WeakPolarHBondContact CD-OG 3.32Å; R487-S526 PolarHBondContact NE-OG 3.4Å; R487-S526 VanDerWaalsContact NE-OG 3.09Å; M488-S526 VanDerWaalsContact CG-O 3.27Å; M488-S526 WeakPolarHBondContact CG-O 3.4Å; T523-S526 WeakPolarHBondContact O-CB 3.48Å; T523-S526 PolarHBondContact O-N 3.21Å; Q524-S526 VanDerWaalsContact C-N 3.27Å; Q524-S526 PolarHBondContact O-N 3.12Å |
| 527 | W | 91.8 | Very high | 85.9 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -99.4 | 137.2 | -176.4 | -69.7 | 79.6 | 0 | 0 | 0 | 111.2 | C452 L455 V456 M488 D491 V492 L522 T523 I529 | C452-W527 HydrophobicContact CB-CE3 4.23Å; C452-W527 HydrophobicContact CB-CZ3 4.33Å; L455-W527 HydrophobicContact CB-CH2 4.04Å; L455-W527 HydrophobicContact CB-CZ3 4.35Å; L455-W527 HydrophobicContact CD1-CH2 3.88Å; L455-W527 HydrophobicContact CD1-CZ3 4.48Å; V456-W527 HydrophobicContact CG2-CE3 4.43Å; V456-W527 HydrophobicContact CG2-CH2 4.29Å; V456-W527 HydrophobicContact CG2-CZ3 3.66Å; M488-W527 HydrophobicContact CB-CD2 4.27Å; M488-W527 HydrophobicContact CB-CH2 4.17Å; M488-W527 HydrophobicContact CB-CZ2 3.72Å; M488-W527 HydrophobicContact CE-CD2 4.08Å; M488-W527 HydrophobicContact CE-CE3 3.66Å; M488-W527 HydrophobicContact CE-CH2 4.4Å; M488-W527 HydrophobicContact CE-CZ3 3.82Å; M488-W527 HydrophobicContact CG-CD2 3.77Å; M488-W527 HydrophobicContact CG-CE3 4.3Å; M488-W527 HydrophobicContact CG-CG 3.99Å; M488-W527 HydrophobicContact CG-CZ2 4.16Å; M488-W527 WeakPolarHBondContact O-CZ2 3.34Å; D491-W527 HydrophobicContact CB-CZ2 4.08Å; D491-W527 PolarHBondContact OD2-NE1 2.84Å; V492-W527 HydrophobicContact CG2-CH2 3.52Å; V492-W527 HydrophobicContact CG2-CZ2 3.73Å; L522-W527 HydrophobicContact CB-CD2 4.13Å; L522-W527 HydrophobicContact CB-CG 4.01Å; L522-W527 HydrophobicContact CD1-CD2 3.88Å; L522-W527 HydrophobicContact CD1-CE3 3.93Å; L522-W527 HydrophobicContact CD1-CG 4.38Å; L522-W527 HydrophobicContact CD1-CH2 4.43Å; L522-W527 HydrophobicContact CD1-CZ2 4.37Å; L522-W527 HydrophobicContact CD1-CZ3 4.23Å; L522-W527 HydrophobicContact CD2-CD2 4.24Å; L522-W527 HydrophobicContact CD2-CH2 3.93Å; L522-W527 HydrophobicContact CD2-CZ2 3.39Å; L522-W527 HydrophobicContact CG-CD2 4.3Å; L522-W527 HydrophobicContact CG-CZ2 4.32Å; T523-W527 VanDerWaalsContact O-CD1 3.31Å; T523-W527 PolarHBondContact O-N 3.35Å; W527-I529 HydrophobicContact CB-CD1 3.95Å; W527-I529 HydrophobicContact CB-CG1 4.09Å; W527-I529 HydrophobicContact CE3-CD1 4.36Å; W527-I529 HydrophobicContact CG-CD1 4.48Å; W527-I529 PolarHBondContact O-N 2.88Å |
| 528 | P | 87.1 | Confident | 85.7 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.104 | 30% | 0.301 | C | S | . | . | trans | -81.6 | 47 | 178.6 | 35.8 | -34.3 | 0 | 0 | 0 | 111.1 | Q448 R449 C452 | Q448-P528 HydrophobicContact CB-CG 4.46Å; Q448-P528 HydrophobicContact CG-CB 4.27Å; Q448-P528 HydrophobicContact CG-CG 3.94Å; R449-P528 HydrophobicContact CG-CB 4.1Å; R449-P528 HydrophobicContact CG-CG 4.22Å; C452-P528 HydrophobicContact CB-CG 3.7Å | ||
| 529 | I | 84.9 | Confident | 85.5 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | trans | -96.8 | 105.9 | -179.8 | -65.1 | 170.1 | 0 | 0 | 0 | 107.3 | L522 W527 L531 A566 Y569 | L522-I529 HydrophobicContact CD1-CD1 3.62Å; W527-I529 HydrophobicContact CB-CD1 3.95Å; W527-I529 HydrophobicContact CB-CG1 4.09Å; W527-I529 HydrophobicContact CE3-CD1 4.36Å; W527-I529 HydrophobicContact CG-CD1 4.48Å; W527-I529 PolarHBondContact O-N 2.88Å; I529-L531 HydrophobicContact CG2-CD2 4.18Å; I529-A566 HydrophobicContact CG2-CB 4.25Å; I529-Y569 HydrophobicContact CG1-CE1 4.2Å; I529-Y569 HydrophobicContact CG2-CD2 4.01Å; I529-Y569 HydrophobicContact CG2-CE2 3.66Å | ||
| 530 | S | 78.5 | Confident | 85.2 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | trans | -90.9 | 125.8 | 168.9 | -161.7 | 0 | 0 | 0 | 0 | 110 | S532 | S530-S532 VanDerWaalsContact C-N 3.32Å; S530-S532 PolarHBondContact OG-N 3.27Å; S530-S532 PolarHBondContact OG-OG 3.34Å | ||
| 531 | L | 77.2 | Confident | 85.1 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 30% | 0.298 | 30% | 0.303 | S | S | . | . | trans | -91.7 | 5.1 | 169.6 | -59.2 | 176 | 0 | 0 | 0 | 111.7 | I529 G533 V534 R564 A566 | I529-L531 HydrophobicContact CG2-CD2 4.18Å; L531-G533 PolarHBondContact O-N 3.02Å; L531-V534 WeakPolarHBondContact O-CG2 3.45Å; L531-R564 HydrophobicContact CD1-CB 4.49Å; L531-A566 HydrophobicContact CD2-CB 3.86Å | ||
| 532 | S | 70.2 | Confident | 84.8 | Confident | 79 Ų | 79 | 55 Ų | 55 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 124.3 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | S530 V534 | S530-S532 VanDerWaalsContact C-N 3.32Å; S530-S532 PolarHBondContact OG-N 3.27Å; S530-S532 PolarHBondContact OG-OG 3.34Å; S532-V534 VanDerWaalsContact C-N 3.27Å; S532-V534 PolarHBondContact O-N 2.96Å |
| 533 | G | 69.7 | Low | 84.7 | Confident | 46 Ų | 46 | 54 Ų | 54 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 18.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L531 S620 | L531-G533 PolarHBondContact O-N 3.02Å; G533-S620 WeakPolarHBondContact CA-O 3.47Å; G533-S620 PolarHBondContact N-O 3.18Å |
| 534 | V | 75.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 152.7 | 169.2 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | L531 S532 D536 S620 | L531-V534 WeakPolarHBondContact O-CG2 3.45Å; S532-V534 VanDerWaalsContact C-N 3.27Å; S532-V534 PolarHBondContact O-N 2.96Å; V534-D536 PolarHBondContact O-N 3.43Å; V534-S620 WeakPolarHBondContact O-CB 3.38Å; V534-S620 PolarHBondContact O-N 3.39Å |
| 535 | T | 80.5 | Confident | 84.9 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118.3 | 173.9 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | I590 L617 A618 L665 L669 | T535-I590 HydrophobicContact CG2-CD1 3.6Å; T535-L617 HydrophobicContact CG2-CD2 4.36Å; T535-A618 CarbonylContact C-O 3.55Å; T535-A618 WeakPolarHBondContact CA-O 3.36Å; T535-L665 HydrophobicContact CG2-CD1 4.16Å; T535-L665 HydrophobicContact CG2-CD2 3.77Å; T535-L665 HydrophobicContact CG2-CG 4.46Å; T535-L665 WeakPolarHBondContact OG1-CD1 3.33Å; T535-L669 HydrophobicContact CG2-CD1 4.43Å |
| 536 | D | 81.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 40% | 0.401 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 136 | 167.5 | -67.2 | -28.5 | 0 | 0 | 0 | 108 | V534 L617 A618 S620 | V534-D536 PolarHBondContact O-N 3.43Å; D536-L617 WeakPolarHBondContact O-CA 3.23Å; D536-A618 PolarHBondContact N-O 2.76Å; D536-A618 PolarHBondContact O-N 3.21Å; D536-S620 WeakPolarHBondContact OD2-CB 3.42Å; D536-S620 PolarHBondContact OD2-OG 2.73Å |
| 537 | F | 88.3 | Confident | 85.4 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | trans | -150.3 | 154.5 | 179.7 | 72.6 | -79 | 0 | 0 | 0 | 110.3 | L539 H567 A589 I590 A593 L615 L617 | F537-L539 HydrophobicContact CE2-CD1 3.75Å; F537-L539 HydrophobicContact CZ-CD1 3.85Å; F537-L539 PolarHBondContact O-N 2.88Å; F537-H567 HydrophobicContact CE1-CB 3.62Å; F537-H567 HydrophobicContact CZ-CB 3.93Å; F537-A589 HydrophobicContact CZ-CB 3.94Å; F537-I590 HydrophobicContact CB-CD1 4.3Å; F537-I590 HydrophobicContact CB-CG1 4.44Å; F537-I590 HydrophobicContact CD1-CB 4.17Å; F537-I590 HydrophobicContact CD1-CD1 3.99Å; F537-I590 HydrophobicContact CD1-CG1 4.11Å; F537-I590 HydrophobicContact CD2-CG1 4.41Å; F537-I590 HydrophobicContact CE1-CB 4.03Å; F537-I590 HydrophobicContact CE1-CG1 4.48Å; F537-I590 HydrophobicContact CE2-CB 4.45Å; F537-I590 HydrophobicContact CG-CB 4.44Å; F537-I590 HydrophobicContact CG-CD1 4.21Å; F537-I590 HydrophobicContact CG-CG1 4.07Å; F537-I590 HydrophobicContact CZ-CB 4.19Å; F537-A593 HydrophobicContact CD2-CB 3.96Å; F537-A593 HydrophobicContact CE2-CB 3.86Å; F537-L615 CarbonylContact C-O 3.52Å; F537-L615 WeakPolarHBondContact CA-O 3.31Å; F537-L617 HydrophobicContact CB-CD2 3.75Å | ||
| 538 | L | 87.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 48% | 0.482 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 121.1 | 174.2 | -171.3 | 68.9 | 0 | 0 | 0 | 109.9 | L615 | L538-L615 PolarHBondContact N-O 2.7Š|
| 539 | L | 88.2 | Confident | 85.9 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 136.1 | 175.5 | -157.2 | 68 | 0 | 0 | 0 | 109.4 | F537 L543 T547 | F537-L539 HydrophobicContact CE2-CD1 3.75Å; F537-L539 HydrophobicContact CZ-CD1 3.85Å; F537-L539 PolarHBondContact O-N 2.88Å; L539-L543 HydrophobicContact CD1-CB 4.34Å; L539-L543 HydrophobicContact CD1-CD1 4.28Å; L539-L543 HydrophobicContact CD2-CB 3.75Å; L539-L543 HydrophobicContact CG-CB 3.69Å; L539-L543 HydrophobicContact CG-CD1 4.46Å; L539-T547 HydrophobicContact CD2-CG2 3.96Å |
| 540 | P | 88.3 | Confident | 86.4 | Confident | 21 Ų | 21 | 54 Ų | 54 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -49.4 | 144.6 | 172.2 | -29.1 | 34.3 | 0 | 0 | 0 | 112.1 | E542 L543 Y544 A593 L596 | P540-E542 VanDerWaalsContact C-N 3.29Å; P540-E542 PolarHBondContact O-N 2.91Å; P540-L543 HydrophobicContact CB-CD1 4.36Å; P540-L543 HydrophobicContact CB-CG 4.4Å; P540-L543 HydrophobicContact CG-CD1 4.13Å; P540-L543 WeakPolarHBondContact O-CB 3.49Å; P540-L543 PolarHBondContact O-N 3.46Å; P540-Y544 PolarHBondContact O-N 3.25Å; P540-A593 HydrophobicContact CG-CB 4Å; P540-L596 HydrophobicContact CB-CD1 4.16Å; P540-L596 HydrophobicContact CG-CB 4.36Å; P540-L596 HydrophobicContact CG-CD1 3.8Å |
| 541 | L | 88.2 | Confident | 87.2 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 65% | 0.654 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -54.1 | -44.4 | -168.8 | -179.9 | 61.5 | 0 | 0 | 0 | 112.5 | L543 Y544 T545 | L541-L543 VanDerWaalsContact C-N 3.33Å; L541-L543 PolarHBondContact O-N 3.31Å; L541-Y544 PolarHBondContact O-N 3.45Å; L541-T545 PolarHBondContact O-N 3.34Å; L541-T545 PolarHBondContact O-OG1 3.32Å |
| 542 | E | 87.9 | Confident | 88 | Confident | 107 Ų | 107 | 55.8 Ų | 55.8 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | -178.5 | -56.5 | 77.5 | -171.6 | 0 | 0 | 111.9 | F515 P540 C546 | F515-E542 HydrophobicContact CE1-CB 4.02Å; P540-E542 VanDerWaalsContact C-N 3.29Å; P540-E542 PolarHBondContact O-N 2.91Å; E542-C546 PolarHBondContact O-N 3.38Å |
| 543 | L | 91.4 | Very high | 89.2 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72 | -40.8 | 176.8 | -63.9 | -176.2 | 0 | 0 | 0 | 110.8 | F515 L539 P540 L541 C546 T547 V572 | F515-L543 HydrophobicContact CE1-CD2 4.46Å; F515-L543 HydrophobicContact CE2-CD2 3.88Å; F515-L543 HydrophobicContact CZ-CD2 3.85Å; L539-L543 HydrophobicContact CD1-CB 4.34Å; L539-L543 HydrophobicContact CD1-CD1 4.28Å; L539-L543 HydrophobicContact CD2-CB 3.75Å; L539-L543 HydrophobicContact CG-CB 3.69Å; L539-L543 HydrophobicContact CG-CD1 4.46Å; P540-L543 HydrophobicContact CB-CD1 4.36Å; P540-L543 HydrophobicContact CB-CG 4.4Å; P540-L543 HydrophobicContact CG-CD1 4.13Å; P540-L543 WeakPolarHBondContact O-CB 3.49Å; P540-L543 PolarHBondContact O-N 3.46Å; L541-L543 VanDerWaalsContact C-N 3.33Å; L541-L543 PolarHBondContact O-N 3.31Å; L543-C546 PolarHBondContact O-N 2.92Å; L543-T547 WeakPolarHBondContact O-CG2 3.41Å; L543-T547 PolarHBondContact O-N 3.47Å; L543-T547 PolarHBondContact O-OG1 2.88Å; L543-V572 HydrophobicContact CD1-CG2 4.25Å |
| 544 | Y | 92.3 | Very high | 90.4 | Very high | 131 Ų | 131 | 51.7 Ų | 51.7 | 51% | 0.514 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 175.2 | 177.6 | -97.9 | 0 | 0 | 0 | 111.4 | P540 L541 C546 T547 Y548 | P540-Y544 PolarHBondContact O-N 3.25Å; L541-Y544 PolarHBondContact O-N 3.45Å; Y544-C546 VanDerWaalsContact C-N 3.27Å; Y544-C546 PolarHBondContact O-N 3.47Å; Y544-T547 WeakPolarHBondContact CA-OG1 3.33Å; Y544-T547 PolarHBondContact O-N 3.22Å; Y544-T547 VanDerWaalsContact O-N 3.11Å; Y544-T547 PolarHBondContact O-OG1 3.44Å; Y544-Y548 PolarHBondContact O-N 2.86Å |
| 545 | T | 94 | Very high | 91.2 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | F513 L541 Y548 H549 | F513-T545 HydrophobicContact CE1-CG2 4.14Å; F513-T545 HydrophobicContact CZ-CG2 4.34Å; L541-T545 PolarHBondContact O-N 3.34Å; L541-T545 PolarHBondContact O-OG1 3.32Å; T545-Y548 PolarHBondContact O-N 2.92Å; T545-H549 PolarHBondContact O-CD2 3.09Å; T545-H549 PolarHBondContact O-N 2.89Å; T545-H549 VanDerWaalsContact O-N 3.17Å |
| 546 | C | 94.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.027 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 175.5 | -170.8 | 0 | 0 | 0 | 0 | 112.4 | F513 F515 E542 L543 Y544 Y548 H549 F550 | F513-C546 HydrophobicContact CD1-CB 4.21Å; F513-C546 HydrophobicContact CD2-CB 4.46Å; F513-C546 HydrophobicContact CE1-CB 3.74Å; F513-C546 HydrophobicContact CE2-CB 4.01Å; F513-C546 VanDerWaalsContact CZ-CA 3.41Å; F513-C546 HydrophobicContact CZ-CB 3.65Å; F515-C546 HydrophobicContact CE2-CB 4.36Å; F515-C546 HydrophobicContact CZ-CB 3.96Å; E542-C546 PolarHBondContact O-N 3.38Å; L543-C546 PolarHBondContact O-N 2.92Å; Y544-C546 VanDerWaalsContact C-N 3.27Å; Y544-C546 PolarHBondContact O-N 3.47Å; C546-Y548 VanDerWaalsContact C-N 3.34Å; C546-Y548 PolarHBondContact O-N 3.01Å; C546-H549 PolarHBondContact O-N 2.96Å; C546-F550 PolarHBondContact O-N 3.38Å; C546-F550 VanDerWaalsContact O-N 3.09Å |
| 547 | T | 94 | Very high | 92.1 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 176 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | F519 L539 L543 Y544 F550 E551 W565 | F519-T547 HydrophobicContact CE1-CG2 4.39Å; L539-T547 HydrophobicContact CD2-CG2 3.96Å; L543-T547 WeakPolarHBondContact O-CG2 3.41Å; L543-T547 PolarHBondContact O-N 3.47Å; L543-T547 PolarHBondContact O-OG1 2.88Å; Y544-T547 WeakPolarHBondContact CA-OG1 3.33Å; Y544-T547 PolarHBondContact O-N 3.22Å; Y544-T547 VanDerWaalsContact O-N 3.11Å; Y544-T547 PolarHBondContact O-OG1 3.44Å; T547-F550 WeakPolarHBondContact O-CB 3.3Å; T547-F550 PolarHBondContact O-N 3.18Å; T547-E551 WeakPolarHBondContact O-CG 3.22Å; T547-E551 PolarHBondContact O-N 3.43Å; T547-W565 HydrophobicContact CG2-CE3 4.35Å; T547-W565 HydrophobicContact CG2-CH2 3.93Å; T547-W565 HydrophobicContact CG2-CZ2 4.11Å; T547-W565 HydrophobicContact CG2-CZ3 4.05Å |
| 548 | Y | 95 | Very high | 92.3 | Very high | 120 Ų | 120 | 57.9 Ų | 57.9 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 177 | 173.7 | -95.5 | 0 | 0 | 0 | 112 | Y544 T545 C546 F550 E551 E552 | Y544-Y548 PolarHBondContact O-N 2.86Å; T545-Y548 PolarHBondContact O-N 2.92Å; C546-Y548 VanDerWaalsContact C-N 3.34Å; C546-Y548 PolarHBondContact O-N 3.01Å; Y548-F550 VanDerWaalsContact C-N 3.26Å; Y548-F550 PolarHBondContact O-N 2.99Å; Y548-E551 PolarHBondContact O-N 2.97Å; Y548-E552 PolarHBondContact O-N 3.19Å |
| 549 | H | 95.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 61.8 Ų | 61.8 | 15% | 0.153 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -31.6 | 177.5 | -74.1 | -56.6 | 0 | 0 | 0 | 112.7 | F502 Y505 L506 I511 T545 C546 E552 F553 | F502-H549 HydrophobicContact CE2-CB 4.46Å; F502-H549 HydrophobicContact CZ-CB 4.44Å; Y505-H549 HydrophobicContact CE1-CB 4.49Å; L506-H549 HydrophobicContact CD2-CB 4.24Å; I511-H549 VanDerWaalsContact CD1-CE1 3.41Å; I511-H549 WeakPolarHBondContact CD1-CE1 3.48Å; T545-H549 PolarHBondContact O-CD2 3.09Å; T545-H549 PolarHBondContact O-N 2.89Å; T545-H549 VanDerWaalsContact O-N 3.17Å; C546-H549 PolarHBondContact O-N 2.96Å; H549-E552 IonicContact ND1-OE2 2.71Å; H549-E552 PolarHBondContact O-N 3.45Å; H549-F553 WeakPolarHBondContact O-CB 3.37Å; H549-F553 PolarHBondContact O-N 3.45Å |
| 550 | F | 95.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 173 | -172.3 | -93.8 | 0 | 0 | 0 | 112.4 | L498 F502 F519 V521 C546 T547 Y548 F553 Y554 M563 W565 | L498-F550 HydrophobicContact CD2-CZ 4.05Å; F502-F550 HydrophobicContact CB-CD2 4.41Å; F502-F550 HydrophobicContact CB-CE2 4.41Å; F502-F550 AromaticContact CD1-CD2 3.9Å; F502-F550 HydrophobicContact CD1-CD2 3.9Å; F502-F550 AromaticContact CD2-CD2 3.81Å; F502-F550 HydrophobicContact CD2-CD2 3.81Å; F502-F550 HydrophobicContact CE1-CB 4.47Å; F502-F550 HydrophobicContact CE1-CD2 4.06Å; F502-F550 VanDerWaalsContact CE2-CA 3.49Å; F502-F550 HydrophobicContact CE2-CB 3.97Å; F502-F550 AromaticContact CE2-CD2 3.99Å; F502-F550 HydrophobicContact CE2-CD2 3.99Å; F502-F550 HydrophobicContact CE2-CG 4.46Å; F502-F550 AromaticContact CG-CD2 3.76Å; F502-F550 HydrophobicContact CG-CD2 3.76Å; F502-F550 HydrophobicContact CG-CE2 4.24Å; F502-F550 HydrophobicContact CZ-CB 3.87Å; F502-F550 HydrophobicContact CZ-CD2 4.09Å; F519-F550 HydrophobicContact CB-CD2 4.08Å; F519-F550 HydrophobicContact CB-CE1 4.16Å; F519-F550 HydrophobicContact CB-CE2 3.48Å; F519-F550 VanDerWaalsContact CB-CE2 3.48Å; F519-F550 HydrophobicContact CB-CZ 3.51Å; F519-F550 HydrophobicContact CD1-CB 4.42Å; F519-F550 AromaticContact CD1-CD1 3.93Å; F519-F550 HydrophobicContact CD1-CD1 3.93Å; F519-F550 AromaticContact CD1-CD2 3.94Å; F519-F550 HydrophobicContact CD1-CD2 3.94Å; F519-F550 HydrophobicContact CD1-CE1 4.11Å; F519-F550 HydrophobicContact CD1-CE2 4.15Å; F519-F550 AromaticContact CD1-CG 3.82Å; F519-F550 HydrophobicContact CD1-CG 3.82Å; F519-F550 HydrophobicContact CD1-CZ 4.22Å; F519-F550 AromaticContact CD2-CD2 3.51Å; F519-F550 HydrophobicContact CD2-CD2 3.51Å; F519-F550 AromaticContact CD2-CE2 3.73Å; F519-F550 HydrophobicContact CD2-CE2 3.73Å; F519-F550 HydrophobicContact CD2-CG 4.15Å; F519-F550 HydrophobicContact CE1-CB 3.99Å; F519-F550 HydrophobicContact CE1-CD1 4.25Å; F519-F550 HydrophobicContact CE1-CD2 4.24Å; F519-F550 AromaticContact CE1-CG 3.89Å; F519-F550 HydrophobicContact CE1-CG 3.89Å; F519-F550 HydrophobicContact CE2-CB 4.3Å; F519-F550 AromaticContact CE2-CD2 3.84Å; F519-F550 HydrophobicContact CE2-CD2 3.84Å; F519-F550 HydrophobicContact CE2-CG 4.21Å; F519-F550 HydrophobicContact CG-CD1 4.28Å; F519-F550 AromaticContact CG-CD2 3.56Å; F519-F550 HydrophobicContact CG-CD2 3.56Å; F519-F550 HydrophobicContact CG-CE1 4.22Å; F519-F550 AromaticContact CG-CE2 3.51Å; F519-F550 HydrophobicContact CG-CE2 3.51Å; F519-F550 AromaticContact CG-CG 3.95Å; F519-F550 HydrophobicContact CG-CG 3.95Å; F519-F550 AromaticContact CG-CZ 3.85Å; F519-F550 HydrophobicContact CG-CZ 3.85Å; F519-F550 HydrophobicContact CZ-CB 3.92Å; F519-F550 HydrophobicContact CZ-CD2 4.19Å; F519-F550 HydrophobicContact CZ-CG 4.09Å; V521-F550 HydrophobicContact CG2-CE1 3.94Å; V521-F550 HydrophobicContact CG2-CZ 3.82Å; C546-F550 PolarHBondContact O-N 3.38Å; C546-F550 VanDerWaalsContact O-N 3.09Å; T547-F550 WeakPolarHBondContact O-CB 3.3Å; T547-F550 PolarHBondContact O-N 3.18Å; Y548-F550 VanDerWaalsContact C-N 3.26Å; Y548-F550 PolarHBondContact O-N 2.99Å; F550-F553 HydrophobicContact CD2-CD1 4.27Å; F550-F553 HydrophobicContact CE2-CD1 4.27Å; F550-F553 HydrophobicContact CE2-CE1 4.36Å; F550-F553 PolarHBondContact O-N 3.22Å; F550-Y554 VanDerWaalsContact O-CB 3.3Å; F550-Y554 WeakPolarHBondContact O-CB 3.45Å; F550-Y554 PolarHBondContact O-N 2.94Å; F550-M563 HydrophobicContact CD1-CE 4.09Å; F550-M563 HydrophobicContact CD1-SD 4.13Å; F550-M563 HydrophobicContact CE1-CE 3.68Å; F550-M563 HydrophobicContact CE1-SD 4.07Å; F550-W565 HydrophobicContact CB-CH2 4.32Å; F550-W565 AromaticContact CD1-CH2 3.61Å; F550-W565 HydrophobicContact CD1-CH2 3.61Å; F550-W565 HydrophobicContact CD1-CZ2 4.15Å; F550-W565 HydrophobicContact CE1-CH2 4.34Å; F550-W565 HydrophobicContact CG-CH2 4.26Å |
| 551 | E | 94.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 71.2 Ų | 71.2 | 34% | 0.341 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.5 | -67.2 | -167.9 | 150.7 | 0 | 0 | 112 | T547 Y548 Y554 T555 M563 W565 | T547-E551 WeakPolarHBondContact O-CG 3.22Å; T547-E551 PolarHBondContact O-N 3.43Å; Y548-E551 PolarHBondContact O-N 2.97Å; E551-Y554 PolarHBondContact O-N 2.86Å; E551-T555 VanDerWaalsContact O-CB 3.23Å; E551-T555 WeakPolarHBondContact O-CB 3.5Å; E551-T555 PolarHBondContact O-N 2.91Å; E551-T555 PolarHBondContact O-OG1 3.33Å; E551-M563 HydrophobicContact CG-SD 4.45Å; E551-W565 HydrophobicContact CG-CZ2 3.68Å; E551-W565 PolarHBondContact OE1-NE1 2.99Å |
| 552 | E | 94.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 73.8 Ų | 73.8 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.2 | -51 | 177 | -168.5 | -167.6 | 160 | 0 | 0 | 110.6 | Y505 K509 Y548 H549 Y554 A556 | Y505-E552 PolarHBondContact OH-OE1 3.22Å; Y505-E552 PolarHBondContact OH-OE2 3.44Å; Y505-E552 VanDerWaalsContact OH-OE2 3.05Å; K509-E552 IonicContact NZ-OE1 3.71Å; Y548-E552 PolarHBondContact O-N 3.19Å; H549-E552 IonicContact ND1-OE2 2.71Å; H549-E552 PolarHBondContact O-N 3.45Å; E552-Y554 PolarHBondContact O-N 2.99Å; E552-A556 WeakPolarHBondContact O-CB 3.47Å; E552-A556 PolarHBondContact O-N 3.28Å; E552-A556 VanDerWaalsContact O-N 3.13Å |
| 553 | F | 95.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 71 Ų | 71 | 10% | 0.101 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.4 | -50.2 | 175.4 | 160.4 | -106.4 | 0 | 0 | 0 | 112.3 | L498 K501 F502 Y505 H549 F550 A556 A557 | L498-F553 HydrophobicContact CD1-CE1 3.82Å; L498-F553 HydrophobicContact CD1-CZ 4.18Å; K501-F553 HydrophobicContact CB-CE2 4.14Å; K501-F553 HydrophobicContact CB-CZ 3.76Å; F502-F553 HydrophobicContact CB-CD1 4.05Å; F502-F553 HydrophobicContact CB-CE1 3.8Å; F502-F553 HydrophobicContact CB-CZ 4.17Å; F502-F553 HydrophobicContact CD2-CB 3.86Å; F502-F553 AromaticContact CD2-CD1 3.58Å; F502-F553 HydrophobicContact CD2-CD1 3.58Å; F502-F553 HydrophobicContact CD2-CD2 4.42Å; F502-F553 HydrophobicContact CD2-CE1 4.22Å; F502-F553 AromaticContact CD2-CG 3.7Å; F502-F553 HydrophobicContact CD2-CG 3.7Å; F502-F553 HydrophobicContact CE2-CB 4.12Å; F502-F553 HydrophobicContact CE2-CD1 4.47Å; F502-F553 HydrophobicContact CE2-CG 4.44Å; F502-F553 HydrophobicContact CG-CD1 4.19Å; F502-F553 HydrophobicContact CG-CE1 4.43Å; Y505-F553 HydrophobicContact CD1-CB 3.85Å; Y505-F553 HydrophobicContact CD1-CD2 4.36Å; Y505-F553 HydrophobicContact CD1-CG 4.38Å; Y505-F553 HydrophobicContact CD2-CB 4.23Å; Y505-F553 AromaticContact CD2-CD2 3.97Å; Y505-F553 HydrophobicContact CD2-CD2 3.97Å; Y505-F553 HydrophobicContact CE1-CB 3.97Å; Y505-F553 HydrophobicContact CE2-CB 4.32Å; Y505-F553 HydrophobicContact CG-CB 3.99Å; Y505-F553 AromaticContact CG-CD2 3.74Å; Y505-F553 HydrophobicContact CG-CD2 3.74Å; Y505-F553 HydrophobicContact CG-CG 4.2Å; H549-F553 WeakPolarHBondContact O-CB 3.37Å; H549-F553 PolarHBondContact O-N 3.45Å; F550-F553 HydrophobicContact CD2-CD1 4.27Å; F550-F553 HydrophobicContact CE2-CD1 4.27Å; F550-F553 HydrophobicContact CE2-CE1 4.36Å; F550-F553 PolarHBondContact O-N 3.22Å; F553-A556 PolarHBondContact O-N 2.92Å; F553-A557 PolarHBondContact O-N 2.91Å |
| 554 | Y | 94.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 76.8 Ų | 76.8 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.4 | -38.5 | -174.2 | -171.5 | -91.8 | 0 | 0 | 0 | 112.2 | L498 V521 F550 E551 E552 A556 A557 H558 R561 M563 | L498-Y554 HydrophobicContact CD1-CD2 4.34Å; V521-Y554 HydrophobicContact CB-CE2 4.38Å; V521-Y554 HydrophobicContact CG1-CE2 3.88Å; V521-Y554 WeakPolarHBondContact CG1-OH 3.18Å; V521-Y554 HydrophobicContact CG2-CD2 4.21Å; V521-Y554 HydrophobicContact CG2-CE2 3.92Å; F550-Y554 VanDerWaalsContact O-CB 3.3Å; F550-Y554 WeakPolarHBondContact O-CB 3.45Å; F550-Y554 PolarHBondContact O-N 2.94Å; E551-Y554 PolarHBondContact O-N 2.86Å; E552-Y554 PolarHBondContact O-N 2.99Å; Y554-A556 VanDerWaalsContact C-N 3.34Å; Y554-A557 PolarHBondContact O-N 3.21Å; Y554-H558 HydrophobicContact CD1-CB 4.48Å; Y554-H558 AromaticContact CD2-CD2 3.81Å; Y554-H558 HydrophobicContact CE1-CB 4.1Å; Y554-H558 AromaticContact CE2-CD2 3.4Å; Y554-H558 WeakPolarHBondContact CE2-CD2 3.31Å; Y554-H558 AromaticContact CZ-CD2 3.64Å; Y554-H558 PolarHBondContact O-N 3.36Å; Y554-R561 HydrophobicContact CE1-CB 4.22Å; Y554-R561 WeakPolarHBondContact OH-CD 3.21Å; Y554-R561 PolarHBondContact OH-NH1 3.21Å; Y554-R561 VanDerWaalsContact OH-NH1 3.08Å; Y554-M563 HydrophobicContact CD1-CE 3.22Å; Y554-M563 HydrophobicContact CD2-CE 3.96Å; Y554-M563 HydrophobicContact CE1-CE 3.79Å; Y554-M563 HydrophobicContact CE2-CE 4.46Å; Y554-M563 HydrophobicContact CG-CE 3.31Å |
| 555 | T | 92.9 | Very high | 92.5 | Very high | 81 Ų | 81 | 73.6 Ų | 73.6 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 178.5 | -57 | 0 | 0 | 0 | 0 | 111.5 | E551 | E551-T555 VanDerWaalsContact O-CB 3.23Å; E551-T555 WeakPolarHBondContact O-CB 3.5Å; E551-T555 PolarHBondContact O-N 2.91Å; E551-T555 PolarHBondContact O-OG1 3.33Å |
| 556 | A | 91.7 | Very high | 92.3 | Very high | 75 Ų | 75 | 72.5 Ų | 72.5 | 62% | 0.62 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E552 F553 Y554 | E552-A556 WeakPolarHBondContact O-CB 3.47Å; E552-A556 PolarHBondContact O-N 3.28Å; E552-A556 VanDerWaalsContact O-N 3.13Å; F553-A556 PolarHBondContact O-N 2.92Å; Y554-A556 VanDerWaalsContact C-N 3.34Å |
| 557 | A | 90.4 | Very high | 92 | Very high | 60 Ų | 60 | 74.7 Ų | 74.7 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -79.8 | -29.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | F553 Y554 | F553-A557 PolarHBondContact O-N 2.91Å; Y554-A557 PolarHBondContact O-N 3.21Å |
| 558 | H | 91.6 | Very high | 91.4 | Very high | 62 Ų | 62 | 76 Ų | 76 | 29% | 0.287 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -134.8 | 75.6 | -171.5 | -62.5 | -57.6 | 0 | 0 | 0 | 112.8 | Y554 R561 | Y554-H558 HydrophobicContact CD1-CB 4.48Å; Y554-H558 AromaticContact CD2-CD2 3.81Å; Y554-H558 HydrophobicContact CE1-CB 4.1Å; Y554-H558 AromaticContact CE2-CD2 3.4Å; Y554-H558 WeakPolarHBondContact CE2-CD2 3.31Å; Y554-H558 AromaticContact CZ-CD2 3.64Å; Y554-H558 PolarHBondContact O-N 3.36Å; H558-R561 HydrophobicContact CB-CG 4.22Å; H558-R561 PolarHBondContact O-N 3.35Å |
| 559 | Q | 88.6 | Confident | 90.9 | Very high | 173 Ų | 173 | 72.1 Ų | 72.1 | 81% | 0.808 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 141.2 | 176.8 | -61.8 | -179.7 | -0.7 | 0 | 0 | 112.1 | R561 | Q559-R561 VanDerWaalsContact C-N 3.33Å; Q559-R561 PolarHBondContact O-N 3.23Å |
| 560 | G | 89.5 | Confident | 90.6 | Very high | 91 Ų | 91 | 72.6 Ų | 72.6 | 94% | 0.938 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -3.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 561 | R | 90.4 | Very high | 90.3 | Very high | 147 Ų | 147 | 75.4 Ų | 75.4 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 136.5 | 173.4 | -59.5 | -169.7 | -174.5 | 172.7 | -2.2 | 110.6 | Y554 H558 Q559 | Y554-R561 HydrophobicContact CE1-CB 4.22Å; Y554-R561 WeakPolarHBondContact OH-CD 3.21Å; Y554-R561 PolarHBondContact OH-NH1 3.21Å; Y554-R561 VanDerWaalsContact OH-NH1 3.08Å; H558-R561 HydrophobicContact CB-CG 4.22Å; H558-R561 PolarHBondContact O-N 3.35Å; Q559-R561 VanDerWaalsContact C-N 3.33Å; Q559-R561 PolarHBondContact O-N 3.23Å |
| 562 | K | 88.7 | Confident | 90.2 | Very high | 179 Ų | 179 | 73.2 Ų | 73.2 | 78% | 0.778 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 121.8 | 172.7 | -175.3 | 170.4 | -176.5 | 165.3 | 0 | 109.9 | ||
| 563 | M | 89.9 | Confident | 90.1 | Very high | 47 Ų | 47 | 75.3 Ų | 75.3 | 23% | 0.232 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 147.7 | 173.8 | -164 | 175.6 | -65 | 0 | 0 | 110.6 | V521 F550 E551 Y554 W565 | V521-M563 HydrophobicContact CG2-CE 4.47Å; F550-M563 HydrophobicContact CD1-CE 4.09Å; F550-M563 HydrophobicContact CD1-SD 4.13Å; F550-M563 HydrophobicContact CE1-CE 3.68Å; F550-M563 HydrophobicContact CE1-SD 4.07Å; E551-M563 HydrophobicContact CG-SD 4.45Å; Y554-M563 HydrophobicContact CD1-CE 3.22Å; Y554-M563 HydrophobicContact CD2-CE 3.96Å; Y554-M563 HydrophobicContact CE1-CE 3.79Å; Y554-M563 HydrophobicContact CE2-CE 4.46Å; Y554-M563 HydrophobicContact CG-CE 3.31Å; M563-W565 HydrophobicContact SD-CH2 4.15Å; M563-W565 HydrophobicContact SD-CZ2 3.84Å |
| 564 | R | 89.5 | Confident | 90 | Very high | 152 Ų | 152 | 75.4 Ų | 75.4 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | trans | -136.4 | 130.5 | 168.9 | -70.2 | -176.1 | 179.9 | -179.7 | -0.4 | 108.1 | L531 | L531-R564 HydrophobicContact CD1-CB 4.49Š| ||
| 565 | W | 91.2 | Very high | 89.9 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 24% | 0.242 | 43% | 0.427 | C | S | . | . | trans | -79.4 | 134.1 | 178.8 | -66.4 | 102.6 | 0 | 0 | 0 | 111.7 | F519 T547 F550 E551 M563 H567 | F519-W565 AromaticContact CD1-CH2 3.81Å; F519-W565 HydrophobicContact CD1-CH2 3.81Å; F519-W565 AromaticContact CD1-CZ3 3.8Å; F519-W565 HydrophobicContact CD1-CZ3 3.8Å; F519-W565 AromaticContact CE1-CH2 3.58Å; F519-W565 HydrophobicContact CE1-CH2 3.58Å; F519-W565 AromaticContact CE1-CZ3 3.75Å; F519-W565 HydrophobicContact CE1-CZ3 3.75Å; T547-W565 HydrophobicContact CG2-CE3 4.35Å; T547-W565 HydrophobicContact CG2-CH2 3.93Å; T547-W565 HydrophobicContact CG2-CZ2 4.11Å; T547-W565 HydrophobicContact CG2-CZ3 4.05Å; F550-W565 HydrophobicContact CB-CH2 4.32Å; F550-W565 AromaticContact CD1-CH2 3.61Å; F550-W565 HydrophobicContact CD1-CH2 3.61Å; F550-W565 HydrophobicContact CD1-CZ2 4.15Å; F550-W565 HydrophobicContact CE1-CH2 4.34Å; F550-W565 HydrophobicContact CG-CH2 4.26Å; E551-W565 HydrophobicContact CG-CZ2 3.68Å; E551-W565 PolarHBondContact OE1-NE1 2.99Å; M563-W565 HydrophobicContact SD-CH2 4.15Å; M563-W565 HydrophobicContact SD-CZ2 3.84Å; W565-H567 VanDerWaalsContact CB-CE1 3.49Å; W565-H567 WeakPolarHBondContact CB-CE1 3.34Å; W565-H567 VanDerWaalsContact CB-NE2 3.26Å; W565-H567 WeakPolarHBondContact CB-NE2 3.24Å; W565-H567 AromaticContact CG-CE1 3.69Å; W565-H567 AromaticContact CG-NE2 3.71Å | ||
| 566 | A | 89.7 | Confident | 89.8 | Confident | 26 Ų | 26 | 76.2 Ų | 76.2 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | trans | -106.6 | 64.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I529 L531 S568 Y569 | I529-A566 HydrophobicContact CG2-CB 4.25Å; L531-A566 HydrophobicContact CD2-CB 3.86Å; A566-S568 PolarHBondContact O-N 3.49Å; A566-S568 VanDerWaalsContact O-N 3.1Å; A566-Y569 HydrophobicContact CB-CD2 4.16Å; A566-Y569 PolarHBondContact O-N 3.17Å | ||
| 567 | H | 88.7 | Confident | 89.7 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -57.7 | -27.7 | -175.8 | -63.2 | -59.8 | 0 | 0 | 0 | 113.2 | F537 W565 Y569 S570 | F537-H567 HydrophobicContact CE1-CB 3.62Å; F537-H567 HydrophobicContact CZ-CB 3.93Å; W565-H567 VanDerWaalsContact CB-CE1 3.49Å; W565-H567 WeakPolarHBondContact CB-CE1 3.34Å; W565-H567 VanDerWaalsContact CB-NE2 3.26Å; W565-H567 WeakPolarHBondContact CB-NE2 3.24Å; W565-H567 AromaticContact CG-CE1 3.69Å; W565-H567 AromaticContact CG-NE2 3.71Å; H567-Y569 PolarHBondContact O-N 2.97Å; H567-S570 WeakPolarHBondContact O-CB 3.38Å; H567-S570 PolarHBondContact O-N 3.45Å |
| 568 | S | 81.3 | Confident | 89.6 | Confident | 43 Ų | 43 | 78.8 Ų | 78.8 | 30% | 0.301 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -62.7 | -17.9 | 173.7 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | A566 | A566-S568 PolarHBondContact O-N 3.49Å; A566-S568 VanDerWaalsContact O-N 3.1Å |
| 569 | Y | 84.7 | Confident | 89.4 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 15% | 0.153 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -104.4 | -1.2 | 175.6 | -70.1 | -101.3 | 0 | 0 | 0 | 112.7 | F457 I529 A566 H567 | F457-Y569 HydrophobicContact CE2-CD1 4.48Å; F457-Y569 HydrophobicContact CZ-CD1 4.03Å; I529-Y569 HydrophobicContact CG1-CE1 4.2Å; I529-Y569 HydrophobicContact CG2-CD2 4.01Å; I529-Y569 HydrophobicContact CG2-CE2 3.66Å; A566-Y569 HydrophobicContact CB-CD2 4.16Å; A566-Y569 PolarHBondContact O-N 3.17Å; H567-Y569 PolarHBondContact O-N 2.97Å |
| 570 | S | 89.3 | Confident | 89.3 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | trans | -77.7 | 139.6 | 178.3 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | H567 P588 A589 | H567-S570 WeakPolarHBondContact O-CB 3.38Å; H567-S570 PolarHBondContact O-N 3.45Å; S570-P588 WeakPolarHBondContact O-CA 3.4Å; S570-A589 PolarHBondContact O-N 2.83Å | ||
| 571 | T | 89.9 | Confident | 89.3 | Confident | 62 Ų | 62 | 73.9 Ų | 73.9 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.7 | 179.1 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | F457 A587 F719 | F457-T571 HydrophobicContact CD1-CG2 3.92Å; F457-T571 HydrophobicContact CE1-CG2 3.85Å; T571-A587 CarbonylContact C-O 3.08Å; T571-A587 WeakPolarHBondContact CA-O 3.49Å; T571-F719 HydrophobicContact CG2-CE1 3.79Å; T571-F719 HydrophobicContact CG2-CZ 3.47Å; T571-F719 VanDerWaalsContact CG2-CZ 3.47Å |
| 572 | V | 92.2 | Very high | 89.4 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 16% | 0.164 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136 | 179.2 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | L543 I574 Q586 A587 A589 A592 | L543-V572 HydrophobicContact CD1-CG2 4.25Å; V572-I574 HydrophobicContact CG1-CG2 3.62Å; V572-Q586 CarbonylContact O-C 3.54Å; V572-Q586 WeakPolarHBondContact O-CA 3.03Å; V572-A587 PolarHBondContact N-O 2.87Å; V572-A587 PolarHBondContact O-N 3.39Å; V572-A589 HydrophobicContact CG2-CB 4.12Å; V572-A592 HydrophobicContact CB-CB 3.73Å; V572-A592 HydrophobicContact CG1-CB 4.14Å; V572-A592 HydrophobicContact CG2-CB 3.99Å |
| 573 | E | 92.4 | Very high | 89.6 | Confident | 120 Ų | 120 | 60.7 Ų | 60.7 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.1 | 167.5 | -173.3 | 172.6 | -173.8 | 0 | 0 | 108 | I585 | E573-I585 WeakPolarHBondContact CA-O 3.49Å |
| 574 | I | 92.9 | Very high | 89.7 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 151.9 | 177.8 | 61.7 | 177.2 | 0 | 0 | 0 | 109.9 | V572 Q584 I585 A592 L595 | V572-I574 HydrophobicContact CG1-CG2 3.62Å; I574-Q584 CarbonylContact O-C 3.6Å; I574-Q584 WeakPolarHBondContact O-CA 3.28Å; I574-I585 HydrophobicContact CG1-CB 3.9Å; I574-I585 PolarHBondContact N-O 3.45Å; I574-I585 PolarHBondContact O-N 2.95Å; I574-A592 HydrophobicContact CG2-CB 4.47Å; I574-L595 HydrophobicContact CD1-CB 3.97Å; I574-L595 HydrophobicContact CD1-CD1 3.5Å; I574-L595 VanDerWaalsContact CD1-CD1 3.5Å; I574-L595 HydrophobicContact CD1-CG 4.38Å |
| 575 | Q | 92.7 | Very high | 89.9 | Confident | 109 Ų | 109 | 54.2 Ų | 54.2 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.1 | 176.6 | -171.1 | 171.9 | 14.2 | 0 | 0 | 109.5 | L577 A582 Y583 | Q575-L577 HydrophobicContact CG-CD2 4.17Å; Q575-A582 HydrophobicContact CG-CB 4.04Å; Q575-Y583 CarbonylContact C-O 3.38Å; Q575-Y583 WeakPolarHBondContact CA-O 3.41Å |
| 576 | L | 91.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123.4 | 176.1 | -53.4 | -175.8 | 0 | 0 | 0 | 109.2 | F578 A582 Y583 I585 I678 F708 | L576-F578 HydrophobicContact CB-CE1 4.25Å; L576-F578 HydrophobicContact CD1-CZ 4.23Å; L576-F578 HydrophobicContact CD2-CE1 3.9Å; L576-F578 HydrophobicContact CD2-CZ 4.33Å; L576-F578 HydrophobicContact CG-CE1 4.43Å; L576-A582 WeakPolarHBondContact O-CA 3.26Å; L576-Y583 PolarHBondContact N-O 2.73Å; L576-I585 HydrophobicContact CD1-CD1 3.93Å; L576-I585 HydrophobicContact CD1-CG1 3.82Å; L576-I585 HydrophobicContact CD2-CG1 3.95Å; L576-I585 HydrophobicContact CG-CD1 4.27Å; L576-I585 HydrophobicContact CG-CG1 3.69Å; L576-I678 HydrophobicContact CD1-CG2 4.23Å; L576-F708 HydrophobicContact CD1-CD1 4.24Å; L576-F708 HydrophobicContact CD1-CE1 4.35Å |
| 577 | L | 89.5 | Confident | 90 | Very high | 140 Ų | 140 | 53.2 Ų | 53.2 | 73% | 0.733 | 28% | 0.277 | S | S | * | . | trans | -108.3 | -9.5 | -179.7 | -59.8 | 179.3 | 0 | 0 | 0 | 113.4 | Q575 T579 | Q575-L577 HydrophobicContact CG-CD2 4.17Å; L577-T579 VanDerWaalsContact C-N 3.33Å | ||
| 578 | F | 87.4 | Confident | 90 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -86.6 | -0.5 | -179.2 | 64.2 | -99.7 | 0 | 0 | 0 | 114.1 | L576 I678 L704 N705 R706 | L576-F578 HydrophobicContact CB-CE1 4.25Å; L576-F578 HydrophobicContact CD1-CZ 4.23Å; L576-F578 HydrophobicContact CD2-CE1 3.9Å; L576-F578 HydrophobicContact CD2-CZ 4.33Å; L576-F578 HydrophobicContact CG-CE1 4.43Å; F578-I678 HydrophobicContact CZ-CG2 4.42Å; F578-L704 HydrophobicContact CD1-CD1 4.17Å; F578-L704 HydrophobicContact CE1-CD1 4.15Å; F578-L704 HydrophobicContact CE1-CD2 4.15Å; F578-L704 HydrophobicContact CE2-CB 4.29Å; F578-L704 HydrophobicContact CZ-CB 4.4Å; F578-L704 HydrophobicContact CZ-CD1 4.5Å; F578-L704 HydrophobicContact CZ-CD2 4.06Å; F578-N705 WeakPolarHBondContact CE2-O 3.31Å; F578-R706 HydrophobicContact CD2-CG 4.23Å |
| 579 | T | 87.8 | Confident | 90.5 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -107.5 | 170 | -174.4 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | L577 K581 Y583 F708 | L577-T579 VanDerWaalsContact C-N 3.33Å; T579-K581 PolarHBondContact O-N 3.02Å; T579-K581 PolarHBondContact OG1-O 3.05Å; T579-Y583 WeakPolarHBondContact OG1-CD2 3.14Å; T579-F708 HydrophobicContact CG2-CB 3.92Å; T579-F708 HydrophobicContact CG2-CD1 4.08Å |
| 580 | D | 86.6 | Confident | 90.8 | Very high | 97 Ų | 97 | 48 Ų | 48 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -56.9 | -32.3 | -179.8 | 74 | -40.8 | 0 | 0 | 0 | 113.8 | Y583 | D580-Y583 VanDerWaalsContact OD1-CE2 3.3Å; D580-Y583 WeakPolarHBondContact OD1-CE2 3.23Å; D580-Y583 PolarHBondContact OD1-OH 2.89Å |
| 581 | K | 89.7 | Confident | 90.9 | Very high | 108 Ų | 108 | 46.1 Ų | 46.1 | 47% | 0.47 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -129.8 | 156.4 | 179.5 | -65.2 | 168.1 | -167 | 165.7 | 0 | 109.4 | T579 Y583 L713 | T579-K581 PolarHBondContact O-N 3.02Å; T579-K581 PolarHBondContact OG1-O 3.05Å; K581-Y583 HydrophobicContact CB-CD2 4.39Å; K581-Y583 HydrophobicContact CB-CE1 4.43Å; K581-Y583 HydrophobicContact CB-CE2 3.86Å; K581-Y583 WeakPolarHBondContact O-CD2 3.24Å; K581-Y583 WeakPolarHBondContact O-CE2 3.38Å; K581-Y583 PolarHBondContact O-N 3.17Å; K581-Y583 VanDerWaalsContact O-N 3.08Å; K581-L713 HydrophobicContact CB-CD2 4.3Å; K581-L713 HydrophobicContact CD-CD2 4.16Å |
| 582 | A | 90.8 | Very high | 91 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | trans | -83.9 | 84.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q575 L576 | Q575-A582 HydrophobicContact CG-CB 4.04Å; L576-A582 WeakPolarHBondContact O-CA 3.26Å | ||
| 583 | Y | 93.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 137.4 | 179.3 | -59.5 | -85.6 | 0 | 0 | 0 | 111 | Q575 L576 T579 D580 K581 F708 S710 R712 L713 L715 | Q575-Y583 CarbonylContact C-O 3.38Å; Q575-Y583 WeakPolarHBondContact CA-O 3.41Å; L576-Y583 PolarHBondContact N-O 2.73Å; T579-Y583 WeakPolarHBondContact OG1-CD2 3.14Å; D580-Y583 VanDerWaalsContact OD1-CE2 3.3Å; D580-Y583 WeakPolarHBondContact OD1-CE2 3.23Å; D580-Y583 PolarHBondContact OD1-OH 2.89Å; K581-Y583 HydrophobicContact CB-CD2 4.39Å; K581-Y583 HydrophobicContact CB-CE1 4.43Å; K581-Y583 HydrophobicContact CB-CE2 3.86Å; K581-Y583 WeakPolarHBondContact O-CD2 3.24Å; K581-Y583 WeakPolarHBondContact O-CE2 3.38Å; K581-Y583 PolarHBondContact O-N 3.17Å; K581-Y583 VanDerWaalsContact O-N 3.08Å; Y583-F708 HydrophobicContact CD1-CE1 4.2Å; Y583-F708 AromaticContact CD2-CD1 3.91Å; Y583-F708 HydrophobicContact CD2-CD1 3.91Å; Y583-F708 AromaticContact CD2-CE1 3.84Å; Y583-F708 HydrophobicContact CD2-CE1 3.84Å; Y583-F708 HydrophobicContact CE1-CE1 4.46Å; Y583-F708 AromaticContact CE2-CD1 4Å; Y583-F708 HydrophobicContact CE2-CD1 4Å; Y583-F708 HydrophobicContact CE2-CE1 4.12Å; Y583-F708 HydrophobicContact CG-CD1 4.44Å; Y583-F708 AromaticContact CG-CE1 3.92Å; Y583-F708 HydrophobicContact CG-CE1 3.92Å; Y583-S710 PolarHBondContact OH-N 3.39Å; Y583-R712 WeakPolarHBondContact CD1-O 3.16Å; Y583-L713 CarbonylContact C-O 3.29Å; Y583-L713 WeakPolarHBondContact CA-O 3.48Å; Y583-L713 HydrophobicContact CD1-CD2 4.27Å; Y583-L713 HydrophobicContact CE1-CD2 4.2Å; Y583-L715 HydrophobicContact CD1-CD1 4.32Å |
| 584 | Q | 92.9 | Very high | 90.9 | Very high | 63 Ų | 63 | 36.3 Ų | 36.3 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.2 | 173.2 | -71.5 | -179.9 | -41.2 | 0 | 0 | 110 | I574 L713 K714 L715 | I574-Q584 CarbonylContact O-C 3.6Å; I574-Q584 WeakPolarHBondContact O-CA 3.28Å; Q584-L713 PolarHBondContact N-O 3.28Å; Q584-K714 HydrophobicContact CB-CG 4.13Å; Q584-K714 WeakPolarHBondContact O-CA 3.46Å; Q584-L715 PolarHBondContact O-N 2.86Å |
| 585 | I | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.6 | -178.5 | -48.9 | -57.5 | 0 | 0 | 0 | 108.7 | E573 I574 L576 A587 I678 L715 V717 | E573-I585 WeakPolarHBondContact CA-O 3.49Å; I574-I585 HydrophobicContact CG1-CB 3.9Å; I574-I585 PolarHBondContact N-O 3.45Å; I574-I585 PolarHBondContact O-N 2.95Å; L576-I585 HydrophobicContact CD1-CD1 3.93Å; L576-I585 HydrophobicContact CD1-CG1 3.82Å; L576-I585 HydrophobicContact CD2-CG1 3.95Å; L576-I585 HydrophobicContact CG-CD1 4.27Å; L576-I585 HydrophobicContact CG-CG1 3.69Å; I585-A587 HydrophobicContact CG2-CB 4.24Å; I585-I678 HydrophobicContact CD1-CD1 4.02Å; I585-I678 HydrophobicContact CG1-CD1 4.33Å; I585-I678 HydrophobicContact CG2-CD1 4.31Å; I585-L715 WeakPolarHBondContact CA-O 3.33Å; I585-L715 HydrophobicContact CD1-CB 3.66Å; I585-L715 HydrophobicContact CD1-CD1 3.51Å; I585-L715 HydrophobicContact CD1-CG 4.19Å; I585-V717 HydrophobicContact CG2-CG2 3.55Å |
| 586 | Q | 91.2 | Very high | 90.7 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 32% | 0.318 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113 | 166.3 | -172.6 | -176.7 | 23.6 | 0 | 0 | 108.8 | V572 L715 R716 V717 | V572-Q586 CarbonylContact O-C 3.54Å; V572-Q586 WeakPolarHBondContact O-CA 3.03Å; Q586-L715 PolarHBondContact N-O 3.1Å; Q586-R716 HydrophobicContact CB-CG 4.25Å; Q586-R716 CarbonylContact O-C 3.57Å; Q586-R716 WeakPolarHBondContact O-CA 3.39Å; Q586-V717 PolarHBondContact O-N 3.2Å |
| 587 | A | 91.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T571 V572 I585 N591 V717 | T571-A587 CarbonylContact C-O 3.08Å; T571-A587 WeakPolarHBondContact CA-O 3.49Å; V572-A587 PolarHBondContact N-O 2.87Å; V572-A587 PolarHBondContact O-N 3.39Å; I585-A587 HydrophobicContact CG2-CB 4.24Å; A587-N591 HydrophobicContact CB-CB 4.09Å; A587-V717 HydrophobicContact CB-CB 3.92Å; A587-V717 HydrophobicContact CB-CG2 3.61Å |
| 588 | P | 89.7 | Confident | 90.7 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 4% | 0.039 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 147 | 162.9 | -20 | 31.2 | 0 | 0 | 0 | 110.6 | S570 I590 N591 A592 F719 | S570-P588 WeakPolarHBondContact O-CA 3.4Å; P588-I590 HydrophobicContact CB-CG2 4.25Å; P588-I590 PolarHBondContact O-N 2.93Å; P588-I590 VanDerWaalsContact O-N 3.11Å; P588-N591 WeakPolarHBondContact CG-OD1 3.43Å; P588-N591 PolarHBondContact O-N 2.82Å; P588-A592 PolarHBondContact O-N 3.01Å; P588-F719 HydrophobicContact CB-CD1 4.1Å; P588-F719 HydrophobicContact CB-CE1 4.17Å; P588-F719 HydrophobicContact CG-CD1 3.6Å; P588-F719 HydrophobicContact CG-CE1 3.86Å; P588-F719 HydrophobicContact CG-CG 4.15Å |
| 589 | A | 91 | Very high | 90.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -54.9 | -35.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F537 S570 V572 A592 A593 | F537-A589 HydrophobicContact CZ-CB 3.94Å; S570-A589 PolarHBondContact O-N 2.83Å; V572-A589 HydrophobicContact CG2-CB 4.12Å; A589-A592 PolarHBondContact O-N 3.31Å; A589-A593 WeakPolarHBondContact O-CB 3.35Å; A589-A593 PolarHBondContact O-N 2.66Å |
| 590 | I | 90.8 | Very high | 90.4 | Very high | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | 176.2 | -167.5 | 162.1 | 0 | 0 | 0 | 112.9 | T535 F537 P588 A593 I594 L617 L669 | T535-I590 HydrophobicContact CG2-CD1 3.6Å; F537-I590 HydrophobicContact CB-CD1 4.3Å; F537-I590 HydrophobicContact CB-CG1 4.44Å; F537-I590 HydrophobicContact CD1-CB 4.17Å; F537-I590 HydrophobicContact CD1-CD1 3.99Å; F537-I590 HydrophobicContact CD1-CG1 4.11Å; F537-I590 HydrophobicContact CD2-CG1 4.41Å; F537-I590 HydrophobicContact CE1-CB 4.03Å; F537-I590 HydrophobicContact CE1-CG1 4.48Å; F537-I590 HydrophobicContact CE2-CB 4.45Å; F537-I590 HydrophobicContact CG-CB 4.44Å; F537-I590 HydrophobicContact CG-CD1 4.21Å; F537-I590 HydrophobicContact CG-CG1 4.07Å; F537-I590 HydrophobicContact CZ-CB 4.19Å; P588-I590 HydrophobicContact CB-CG2 4.25Å; P588-I590 PolarHBondContact O-N 2.93Å; P588-I590 VanDerWaalsContact O-N 3.11Å; I590-A593 PolarHBondContact O-N 3.24Å; I590-I594 WeakPolarHBondContact O-CG1 3.43Å; I590-I594 PolarHBondContact O-N 2.84Å; I590-L617 HydrophobicContact CD1-CD2 4.16Å; I590-L617 HydrophobicContact CG1-CD2 4.39Å; I590-L669 HydrophobicContact CD1-CD1 3.61Å; I590-L669 HydrophobicContact CD1-CD2 3.75Å; I590-L669 HydrophobicContact CD1-CG 4.34Å; I590-L669 HydrophobicContact CG1-CD1 4.14Å; I590-L669 HydrophobicContact CG1-CD2 4.17Å; I590-L669 HydrophobicContact CG2-CD2 3.99Å |
| 591 | N | 90.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.7 | -36 | 175.7 | -71.6 | 102.9 | 0 | 0 | 0 | 111.5 | A587 P588 A593 I594 L595 L669 L673 V717 | A587-N591 HydrophobicContact CB-CB 4.09Å; P588-N591 WeakPolarHBondContact CG-OD1 3.43Å; P588-N591 PolarHBondContact O-N 2.82Å; N591-A593 VanDerWaalsContact C-N 3.34Å; N591-I594 PolarHBondContact O-N 3.31Å; N591-L595 PolarHBondContact O-N 3.36Å; N591-L669 PolarHBondContact ND2-O 3.5Å; N591-L673 HydrophobicContact CB-CD1 4.43Å; N591-L673 HydrophobicContact CB-CD2 4.36Å; N591-V717 HydrophobicContact CB-CG1 4.44Å |
| 592 | A | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V572 I574 P588 A589 I594 L595 L596 | V572-A592 HydrophobicContact CB-CB 3.73Å; V572-A592 HydrophobicContact CG1-CB 4.14Å; V572-A592 HydrophobicContact CG2-CB 3.99Å; I574-A592 HydrophobicContact CG2-CB 4.47Å; P588-A592 PolarHBondContact O-N 3.01Å; A589-A592 PolarHBondContact O-N 3.31Å; A592-I594 VanDerWaalsContact C-N 3.32Å; A592-I594 PolarHBondContact O-N 3.28Å; A592-L595 PolarHBondContact O-N 2.83Å; A592-L595 VanDerWaalsContact O-N 3.15Å; A592-L596 WeakPolarHBondContact O-CB 3.43Å; A592-L596 VanDerWaalsContact O-CG 3.29Å; A592-L596 WeakPolarHBondContact O-CG 3.39Å; A592-L596 PolarHBondContact O-N 3.32Å |
| 593 | A | 91.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | F537 P540 A589 I590 N591 L595 L596 F597 L615 | F537-A593 HydrophobicContact CD2-CB 3.96Å; F537-A593 HydrophobicContact CE2-CB 3.86Å; P540-A593 HydrophobicContact CG-CB 4Å; A589-A593 WeakPolarHBondContact O-CB 3.35Å; A589-A593 PolarHBondContact O-N 2.66Å; I590-A593 PolarHBondContact O-N 3.24Å; N591-A593 VanDerWaalsContact C-N 3.34Å; A593-L595 VanDerWaalsContact C-N 3.34Å; A593-L595 PolarHBondContact O-N 2.85Å; A593-L596 PolarHBondContact O-N 2.76Å; A593-F597 WeakPolarHBondContact O-CB 3.44Å; A593-F597 PolarHBondContact O-N 3.41Å; A593-L615 HydrophobicContact CB-CD2 4.27Å |
| 594 | I | 91.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 173.5 | -66.8 | 166.7 | 0 | 0 | 0 | 111.3 | I590 N591 A592 F597 F598 L611 L615 L669 L670 L673 | I590-I594 WeakPolarHBondContact O-CG1 3.43Å; I590-I594 PolarHBondContact O-N 2.84Å; N591-I594 PolarHBondContact O-N 3.31Å; A592-I594 VanDerWaalsContact C-N 3.32Å; A592-I594 PolarHBondContact O-N 3.28Å; I594-F597 WeakPolarHBondContact O-CB 3.48Å; I594-F597 PolarHBondContact O-N 2.84Å; I594-F598 VanDerWaalsContact O-CD2 3.3Å; I594-F598 WeakPolarHBondContact O-CD2 3.37Å; I594-L611 HydrophobicContact CG1-CD1 4.4Å; I594-L611 HydrophobicContact CG1-CD2 4.43Å; I594-L611 HydrophobicContact CG2-CD1 4.19Å; I594-L611 HydrophobicContact CG2-CD2 4.26Å; I594-L615 HydrophobicContact CB-CD1 4.49Å; I594-L615 HydrophobicContact CG1-CD1 3.78Å; I594-L669 HydrophobicContact CD1-CB 4.07Å; I594-L670 HydrophobicContact CD1-CD2 4.26Å; I594-L670 HydrophobicContact CG2-CD2 4.13Å; I594-L673 HydrophobicContact CB-CD1 4.34Å; I594-L673 HydrophobicContact CG2-CD1 4.06Å |
| 595 | L | 91.5 | Very high | 89 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.6 | -42 | -179.6 | -67.9 | 173.2 | 0 | 0 | 0 | 112.2 | I574 N591 A592 A593 F597 F598 L673 I678 I679 L704 | I574-L595 HydrophobicContact CD1-CB 3.97Å; I574-L595 HydrophobicContact CD1-CD1 3.5Å; I574-L595 VanDerWaalsContact CD1-CD1 3.5Å; I574-L595 HydrophobicContact CD1-CG 4.38Å; N591-L595 PolarHBondContact O-N 3.36Å; A592-L595 PolarHBondContact O-N 2.83Å; A592-L595 VanDerWaalsContact O-N 3.15Å; A593-L595 VanDerWaalsContact C-N 3.34Å; A593-L595 PolarHBondContact O-N 2.85Å; L595-F597 PolarHBondContact O-N 2.79Å; L595-F598 WeakPolarHBondContact O-CB 3.33Å; L595-F598 PolarHBondContact O-N 3.2Å; L595-L673 HydrophobicContact CD1-CD2 4.04Å; L595-L673 HydrophobicContact CD2-CD1 4.36Å; L595-L673 HydrophobicContact CG-CD1 4.25Å; L595-L673 HydrophobicContact CG-CD2 4.5Å; L595-I678 HydrophobicContact CD1-CG2 4.41Å; L595-I678 HydrophobicContact CD2-CG2 3.8Å; L595-I679 HydrophobicContact CD2-CG2 3.93Å; L595-L704 HydrophobicContact CD2-CD2 4.28Å |
| 596 | L | 90.7 | Very high | 88.9 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.1 | -23.3 | 176.4 | -69.1 | 168.5 | 0 | 0 | 0 | 112.5 | P540 A592 A593 F598 D599 H600 | P540-L596 HydrophobicContact CB-CD1 4.16Å; P540-L596 HydrophobicContact CG-CB 4.36Å; P540-L596 HydrophobicContact CG-CD1 3.8Å; A592-L596 WeakPolarHBondContact O-CB 3.43Å; A592-L596 VanDerWaalsContact O-CG 3.29Å; A592-L596 WeakPolarHBondContact O-CG 3.39Å; A592-L596 PolarHBondContact O-N 3.32Å; A593-L596 PolarHBondContact O-N 2.76Å; L596-F598 PolarHBondContact O-N 2.77Å; L596-D599 PolarHBondContact O-N 2.78Å; L596-H600 PolarHBondContact O-N 2.87Å |
| 597 | F | 90.6 | Very high | 88.8 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -27.4 | 175.8 | -165.7 | -113.2 | 0 | 0 | 0 | 112.6 | A593 I594 L595 D599 H600 M601 I606 L611 L615 | A593-F597 WeakPolarHBondContact O-CB 3.44Å; A593-F597 PolarHBondContact O-N 3.41Å; I594-F597 WeakPolarHBondContact O-CB 3.48Å; I594-F597 PolarHBondContact O-N 2.84Å; L595-F597 PolarHBondContact O-N 2.79Å; F597-D599 VanDerWaalsContact C-N 3.35Å; F597-H600 PolarHBondContact O-N 2.81Å; F597-M601 HydrophobicContact CD1-CG 4.44Å; F597-M601 HydrophobicContact CD1-SD 4.05Å; F597-M601 HydrophobicContact CE1-CG 4.02Å; F597-M601 HydrophobicContact CE1-SD 3.38Å; F597-M601 WeakPolarHBondContact CE1-SD 3.28Å; F597-M601 HydrophobicContact CZ-CG 4.19Å; F597-M601 HydrophobicContact CZ-SD 3.92Å; F597-M601 PolarHBondContact O-N 3.16Å; F597-I606 HydrophobicContact CD1-CD1 3.7Å; F597-I606 HydrophobicContact CD1-CG2 4.44Å; F597-I606 HydrophobicContact CE1-CD1 4.23Å; F597-I606 HydrophobicContact CE1-CG2 4.22Å; F597-L611 HydrophobicContact CB-CD1 4.4Å; F597-L611 HydrophobicContact CD1-CD1 3.64Å; F597-L611 HydrophobicContact CE1-CD1 4.31Å; F597-L611 HydrophobicContact CG-CD1 4.28Å; F597-L615 HydrophobicContact CB-CD2 4.38Å; F597-L615 HydrophobicContact CD2-CD2 4.01Å; F597-L615 HydrophobicContact CD2-CG 4.32Å; F597-L615 HydrophobicContact CG-CD2 4.32Å; F597-L615 HydrophobicContact CG-CG 4.36Å |
| 598 | F | 90.1 | Very high | 88.7 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 172.5 | -73.2 | -90.2 | 0 | 0 | 0 | 112.6 | I594 L595 L596 H600 M601 D602 S603 D604 I606 I679 L704 | I594-F598 VanDerWaalsContact O-CD2 3.3Å; I594-F598 WeakPolarHBondContact O-CD2 3.37Å; L595-F598 WeakPolarHBondContact O-CB 3.33Å; L595-F598 PolarHBondContact O-N 3.2Å; L596-F598 PolarHBondContact O-N 2.77Å; F598-H600 VanDerWaalsContact C-N 3.26Å; F598-H600 PolarHBondContact O-N 2.9Å; F598-M601 PolarHBondContact O-N 3.07Å; F598-D602 PolarHBondContact O-N 3.34Å; F598-S603 WeakPolarHBondContact CD1-O 3.34Å; F598-D604 WeakPolarHBondContact CE1-O 3.44Å; F598-I606 HydrophobicContact CB-CD1 4.37Å; F598-I606 HydrophobicContact CD1-CD1 3.45Å; F598-I606 VanDerWaalsContact CD1-CD1 3.45Å; F598-I606 HydrophobicContact CD1-CG1 3.76Å; F598-I606 HydrophobicContact CD2-CD1 4.03Å; F598-I606 HydrophobicContact CE1-CB 4.18Å; F598-I606 HydrophobicContact CE1-CD1 3.61Å; F598-I606 HydrophobicContact CE1-CG1 3.6Å; F598-I606 HydrophobicContact CE2-CD1 4.17Å; F598-I606 HydrophobicContact CG-CD1 3.68Å; F598-I606 HydrophobicContact CG-CG1 4.48Å; F598-I606 HydrophobicContact CZ-CB 4.45Å; F598-I606 HydrophobicContact CZ-CD1 3.97Å; F598-I606 HydrophobicContact CZ-CG1 4.21Å; F598-I679 HydrophobicContact CE2-CG2 4.49Å; F598-L704 HydrophobicContact CB-CD1 3.84Å; F598-L704 HydrophobicContact CB-CD2 4.45Å; F598-L704 HydrophobicContact CB-CG 4.27Å; F598-L704 HydrophobicContact CD1-CD1 3.94Å; F598-L704 HydrophobicContact CD1-CD2 4.1Å; F598-L704 HydrophobicContact CD1-CG 3.59Å; F598-L704 HydrophobicContact CD2-CD2 3.74Å; F598-L704 HydrophobicContact CD2-CG 4.16Å; F598-L704 HydrophobicContact CE1-CD2 4.27Å; F598-L704 HydrophobicContact CE1-CG 3.87Å; F598-L704 HydrophobicContact CE2-CD2 3.91Å; F598-L704 HydrophobicContact CE2-CG 4.4Å; F598-L704 HydrophobicContact CG-CD1 3.89Å; F598-L704 HydrophobicContact CG-CD2 3.84Å; F598-L704 HydrophobicContact CG-CG 3.75Å; F598-L704 HydrophobicContact CZ-CD2 4.18Å; F598-L704 HydrophobicContact CZ-CG 4.27Å |
| 599 | D | 85.9 | Confident | 88.5 | Confident | 128 Ų | 128 | 49.7 Ų | 49.7 | 68% | 0.684 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.1 | -31 | 175.7 | -72.3 | -14.1 | 0 | 0 | 0 | 111.5 | L596 F597 | L596-D599 PolarHBondContact O-N 2.78Å; F597-D599 VanDerWaalsContact C-N 3.35Å |
| 600 | H | 82.6 | Confident | 88.4 | Confident | 156 Ų | 156 | 52.7 Ų | 52.7 | 72% | 0.722 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -74 | -34.2 | 177.6 | -170 | 68.3 | 0 | 0 | 0 | 113.3 | L596 F597 F598 | L596-H600 PolarHBondContact O-N 2.87Å; F597-H600 PolarHBondContact O-N 2.81Å; F598-H600 VanDerWaalsContact C-N 3.26Å; F598-H600 PolarHBondContact O-N 2.9Å |
| 601 | M | 82.9 | Confident | 88.2 | Confident | 72 Ų | 72 | 52 Ų | 52 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -85 | -9.7 | 179.9 | -70.5 | -167.3 | 65.2 | 0 | 0 | 113.9 | F597 F598 S603 I606 | F597-M601 HydrophobicContact CD1-CG 4.44Å; F597-M601 HydrophobicContact CD1-SD 4.05Å; F597-M601 HydrophobicContact CE1-CG 4.02Å; F597-M601 HydrophobicContact CE1-SD 3.38Å; F597-M601 WeakPolarHBondContact CE1-SD 3.28Å; F597-M601 HydrophobicContact CZ-CG 4.19Å; F597-M601 HydrophobicContact CZ-SD 3.92Å; F597-M601 PolarHBondContact O-N 3.16Å; F598-M601 PolarHBondContact O-N 3.07Å; M601-S603 PolarHBondContact O-N 2.91Å; M601-S603 VanDerWaalsContact O-N 3.14Å; M601-I606 HydrophobicContact CB-CD1 4.45Å; M601-I606 HydrophobicContact CE-CG1 4.41Å; M601-I606 HydrophobicContact CG-CD1 4.33Å; M601-I606 HydrophobicContact SD-CB 4.32Å; M601-I606 HydrophobicContact SD-CD1 3.66Å; M601-I606 HydrophobicContact SD-CG1 3.68Å; M601-I606 HydrophobicContact SD-CG2 3.8Å |
| 602 | D | 79.2 | Confident | 88 | Confident | 156 Ų | 156 | 52.9 Ų | 52.9 | 83% | 0.834 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 39.9 | -173.7 | -163.6 | 30 | 0 | 0 | 0 | 112.7 | F598 | F598-D602 PolarHBondContact O-N 3.34Š|
| 603 | S | 86.9 | Confident | 87.7 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | trans | -144.1 | 133.7 | -177.7 | 171.5 | 0 | 0 | 0 | 0 | 109.1 | F598 M601 R605 | F598-S603 WeakPolarHBondContact CD1-O 3.34Å; M601-S603 PolarHBondContact O-N 2.91Å; M601-S603 VanDerWaalsContact O-N 3.14Å; S603-R605 PolarHBondContact O-N 2.82Å; S603-R605 VanDerWaalsContact O-N 3.16Å; S603-R605 PolarHBondContact OG-N 2.84Å; S603-R605 VanDerWaalsContact OG-N 3.12Å; S603-R605 PolarHBondContact OG-O 3.43Å | ||
| 604 | D | 87.7 | Confident | 87.4 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -70.2 | -6.2 | 173.7 | -64.4 | -25.8 | 0 | 0 | 0 | 113 | F598 A703 L704 R706 | F598-D604 WeakPolarHBondContact CE1-O 3.44Å; D604-A703 CarbonylContact O-C 3.5Å; D604-A703 WeakPolarHBondContact O-CA 3.46Å; D604-L704 HydrophobicContact CB-CB 4.45Å; D604-L704 PolarHBondContact O-N 3.43Å; D604-R706 VanDerWaalsContact CG-NE 3.32Å; D604-R706 VanDerWaalsContact CG-NH2 3.32Å; D604-R706 IonicContact OD1-CZ 3.49Å; D604-R706 IonicContact OD1-NE 3.83Å; D604-R706 PolarHBondContact OD1-NE 2.72Å; D604-R706 IonicContact OD1-NH2 3.4Å; D604-R706 PolarHBondContact OD1-NH2 3.16Å; D604-R706 IonicContact OD2-CZ 2.86Å; D604-R706 IonicContact OD2-NE 3.29Å; D604-R706 PolarHBondContact OD2-NE 2.99Å; D604-R706 IonicContact OD2-NH2 2.67Å; D604-R706 PolarHBondContact OD2-NH2 3.33Å |
| 605 | R | 88.7 | Confident | 87.1 | Confident | 148 Ų | 148 | 61.9 Ų | 61.9 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130 | -172.3 | -57.4 | -175.8 | -172.5 | -172.4 | 0.4 | 110.9 | S603 E682 V701 I702 A703 | S603-R605 PolarHBondContact O-N 2.82Å; S603-R605 VanDerWaalsContact O-N 3.16Å; S603-R605 PolarHBondContact OG-N 2.84Å; S603-R605 VanDerWaalsContact OG-N 3.12Å; S603-R605 PolarHBondContact OG-O 3.43Å; R605-E682 WeakPolarHBondContact CD-OE1 3.41Å; R605-E682 IonicContact CZ-OE1 3.26Å; R605-E682 VanDerWaalsContact CZ-OE1 3.26Å; R605-E682 IonicContact NE-OE1 2.69Å; R605-E682 PolarHBondContact NE-OE1 3.46Å; R605-E682 IonicContact NH1-OE1 3.43Å; R605-E682 PolarHBondContact NH1-OE1 3.11Å; R605-E682 IonicContact NH2-OE1 3.34Å; R605-V701 HydrophobicContact CB-CG1 3.98Å; R605-I702 WeakPolarHBondContact CA-O 3.35Å; R605-A703 HydrophobicContact CG-CB 4.1Å |
| 606 | I | 90.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.1 | -178.8 | -57.8 | -179.6 | 0 | 0 | 0 | 108.8 | F597 F598 M601 D610 L611 I702 | F597-I606 HydrophobicContact CD1-CD1 3.7Å; F597-I606 HydrophobicContact CD1-CG2 4.44Å; F597-I606 HydrophobicContact CE1-CD1 4.23Å; F597-I606 HydrophobicContact CE1-CG2 4.22Å; F598-I606 HydrophobicContact CB-CD1 4.37Å; F598-I606 HydrophobicContact CD1-CD1 3.45Å; F598-I606 VanDerWaalsContact CD1-CD1 3.45Å; F598-I606 HydrophobicContact CD1-CG1 3.76Å; F598-I606 HydrophobicContact CD2-CD1 4.03Å; F598-I606 HydrophobicContact CE1-CB 4.18Å; F598-I606 HydrophobicContact CE1-CD1 3.61Å; F598-I606 HydrophobicContact CE1-CG1 3.6Å; F598-I606 HydrophobicContact CE2-CD1 4.17Å; F598-I606 HydrophobicContact CG-CD1 3.68Å; F598-I606 HydrophobicContact CG-CG1 4.48Å; F598-I606 HydrophobicContact CZ-CB 4.45Å; F598-I606 HydrophobicContact CZ-CD1 3.97Å; F598-I606 HydrophobicContact CZ-CG1 4.21Å; M601-I606 HydrophobicContact CB-CD1 4.45Å; M601-I606 HydrophobicContact CE-CG1 4.41Å; M601-I606 HydrophobicContact CG-CD1 4.33Å; M601-I606 HydrophobicContact SD-CB 4.32Å; M601-I606 HydrophobicContact SD-CD1 3.66Å; M601-I606 HydrophobicContact SD-CG1 3.68Å; M601-I606 HydrophobicContact SD-CG2 3.8Å; I606-D610 HydrophobicContact CG2-CB 4.16Å; I606-L611 HydrophobicContact CG2-CB 4.04Å; I606-I702 PolarHBondContact N-O 3.29Å; I606-I702 PolarHBondContact O-N 3.05Å |
| 607 | K | 89.3 | Confident | 86.2 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 39% | 0.391 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 144.1 | 171.5 | -62.6 | 178.1 | 178.6 | 178.3 | 0 | 109.6 | K609 D610 L611 S700 V701 | K607-K609 HydrophobicContact CB-CG 4.02Å; K607-K609 PolarHBondContact O-N 3.3Å; K607-D610 WeakPolarHBondContact CB-OD2 3.39Å; K607-D610 WeakPolarHBondContact O-CB 3.49Å; K607-D610 PolarHBondContact O-N 2.87Å; K607-L611 PolarHBondContact O-N 3.42Å; K607-S700 WeakPolarHBondContact CA-O 3.41Å; K607-V701 HydrophobicContact CG-CG2 4.13Å |
| 608 | V | 87.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.1 | -39.1 | 179.5 | 170.5 | 0 | 0 | 0 | 0 | 112.3 | D610 L611 H612 I666 V696 T697 M698 S700 I702 | V608-D610 PolarHBondContact O-N 2.69Å; V608-L611 WeakPolarHBondContact O-CB 3.15Å; V608-L611 PolarHBondContact O-N 2.89Å; V608-H612 WeakPolarHBondContact O-CB 3.18Å; V608-H612 PolarHBondContact O-N 3.18Å; V608-I666 HydrophobicContact CG1-CD1 3.94Å; V608-I666 HydrophobicContact CG1-CG2 3.95Å; V608-V696 HydrophobicContact CB-CG1 4.42Å; V608-V696 HydrophobicContact CG1-CG1 4.25Å; V608-V696 HydrophobicContact CG2-CG1 3.45Å; V608-V696 VanDerWaalsContact CG2-CG1 3.45Å; V608-T697 WeakPolarHBondContact CB-O 3.34Å; V608-M698 HydrophobicContact CG1-SD 4.01Å; V608-S700 WeakPolarHBondContact CG2-O 3.37Å; V608-S700 PolarHBondContact N-O 3.34Å; V608-I702 HydrophobicContact CG2-CD1 3.73Å; V608-I702 HydrophobicContact CG2-CG1 3.59Å |
| 609 | K | 86.3 | Confident | 84.4 | Confident | 67 Ų | 67 | 69 Ų | 69 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 173.7 | 68.9 | -170 | -176.7 | -171.4 | 0 | 113.6 | K607 L611 H612 F613 M698 D699 | K607-K609 HydrophobicContact CB-CG 4.02Å; K607-K609 PolarHBondContact O-N 3.3Å; K609-L611 VanDerWaalsContact C-N 3.33Å; K609-H612 PolarHBondContact O-N 3.3Å; K609-F613 WeakPolarHBondContact O-CD2 3.5Å; K609-F613 PolarHBondContact O-N 3.38Å; K609-M698 HydrophobicContact CB-CB 4.49Å; K609-M698 WeakPolarHBondContact CB-O 3.34Å; K609-M698 PolarHBondContact N-O 3.11Å; K609-D699 IonicContact NZ-OD1 3.32Å; K609-D699 PolarHBondContact NZ-OD1 2.96Å |
| 610 | D | 88.6 | Confident | 83.4 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 34% | 0.342 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.5 | -38.5 | -178.6 | -58.1 | -28.8 | 0 | 0 | 0 | 109.5 | I606 K607 V608 G614 | I606-D610 HydrophobicContact CG2-CB 4.16Å; K607-D610 WeakPolarHBondContact CB-OD2 3.39Å; K607-D610 WeakPolarHBondContact O-CB 3.49Å; K607-D610 PolarHBondContact O-N 2.87Å; V608-D610 PolarHBondContact O-N 2.69Å; D610-G614 PolarHBondContact O-N 3Å |
| 611 | L | 87.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 171.2 | -175 | 73.8 | 0 | 0 | 0 | 111.8 | I594 F597 I606 K607 V608 K609 G614 L615 L670 I702 | I594-L611 HydrophobicContact CG1-CD1 4.4Å; I594-L611 HydrophobicContact CG1-CD2 4.43Å; I594-L611 HydrophobicContact CG2-CD1 4.19Å; I594-L611 HydrophobicContact CG2-CD2 4.26Å; F597-L611 HydrophobicContact CB-CD1 4.4Å; F597-L611 HydrophobicContact CD1-CD1 3.64Å; F597-L611 HydrophobicContact CE1-CD1 4.31Å; F597-L611 HydrophobicContact CG-CD1 4.28Å; I606-L611 HydrophobicContact CG2-CB 4.04Å; K607-L611 PolarHBondContact O-N 3.42Å; V608-L611 WeakPolarHBondContact O-CB 3.15Å; V608-L611 PolarHBondContact O-N 2.89Å; K609-L611 VanDerWaalsContact C-N 3.33Å; L611-G614 PolarHBondContact O-N 3.03Å; L611-L615 HydrophobicContact CD1-CD1 3.66Å; L611-L615 HydrophobicContact CD1-CG 4.33Å; L611-L615 HydrophobicContact CG-CD1 4.23Å; L611-L615 WeakPolarHBondContact O-CB 3.19Å; L611-L615 PolarHBondContact O-N 2.91Å; L611-L670 HydrophobicContact CD2-CD2 4.04Å; L611-I702 HydrophobicContact CD2-CD1 3.6Å |
| 612 | H | 86.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 179.5 | 179.5 | -108.8 | 0 | 0 | 0 | 112.1 | V608 K609 Q616 L617 E662 I666 | V608-H612 WeakPolarHBondContact O-CB 3.18Å; V608-H612 PolarHBondContact O-N 3.18Å; K609-H612 PolarHBondContact O-N 3.3Å; H612-Q616 WeakPolarHBondContact O-CA 3.38Å; H612-Q616 PolarHBondContact O-N 3.4Å; H612-L617 PolarHBondContact NE2-O 2.83Å; H612-L617 VanDerWaalsContact NE2-O 3.11Å; H612-L617 PolarHBondContact O-N 3.32Å; H612-E662 IonicContact CE1-OE2 3.06Å; H612-E662 PolarHBondContact CE1-OE2 2.9Å; H612-E662 IonicContact NE2-OE2 3.16Å; H612-I666 HydrophobicContact CB-CD1 3.94Å |
| 613 | F | 86 | Confident | 77.9 | Confident | 154 Ų | 154 | 69.7 Ų | 69.7 | 68% | 0.675 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.6 | -43.6 | 177.6 | -76.9 | -63.5 | 0 | 0 | 0 | 112.4 | K609 Q616 | K609-F613 WeakPolarHBondContact O-CD2 3.5Å; K609-F613 PolarHBondContact O-N 3.38Å; F613-Q616 PolarHBondContact O-N 3.38Å |
| 614 | G | 84.3 | Confident | 75.1 | Confident | 28 Ų | 28 | 71.7 Ų | 71.7 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D610 L611 | D610-G614 PolarHBondContact O-N 3Å; L611-G614 PolarHBondContact O-N 3.03Å |
| 615 | L | 86.4 | Confident | 72.4 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -93.6 | -1.8 | 177.4 | -65.4 | 179.1 | 0 | 0 | 0 | 113.7 | F537 L538 A593 I594 F597 L611 L617 | F537-L615 CarbonylContact C-O 3.52Å; F537-L615 WeakPolarHBondContact CA-O 3.31Å; L538-L615 PolarHBondContact N-O 2.7Å; A593-L615 HydrophobicContact CB-CD2 4.27Å; I594-L615 HydrophobicContact CB-CD1 4.49Å; I594-L615 HydrophobicContact CG1-CD1 3.78Å; F597-L615 HydrophobicContact CB-CD2 4.38Å; F597-L615 HydrophobicContact CD2-CD2 4.01Å; F597-L615 HydrophobicContact CD2-CG 4.32Å; F597-L615 HydrophobicContact CG-CD2 4.32Å; F597-L615 HydrophobicContact CG-CG 4.36Å; L611-L615 HydrophobicContact CD1-CD1 3.66Å; L611-L615 HydrophobicContact CD1-CG 4.33Å; L611-L615 HydrophobicContact CG-CD1 4.23Å; L611-L615 WeakPolarHBondContact O-CB 3.19Å; L611-L615 PolarHBondContact O-N 2.91Å; L615-L617 VanDerWaalsContact C-N 3.29Å; L615-L617 HydrophobicContact CB-CD2 3.9Å; L615-L617 HydrophobicContact CB-CG 3.88Å; L615-L617 PolarHBondContact O-N 3.18Å |
| 616 | Q | 83.7 | Confident | 69.3 | Low | 136 Ų | 136 | 75.2 Ų | 75.2 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 51 | -177.2 | -62.4 | -175.8 | -8.2 | 0 | 0 | 112.6 | H612 F613 A618 | H612-Q616 WeakPolarHBondContact O-CA 3.38Å; H612-Q616 PolarHBondContact O-N 3.4Å; F613-Q616 PolarHBondContact O-N 3.38Å; Q616-A618 PolarHBondContact O-N 3.3Å |
| 617 | L | 79.6 | Confident | 66 | Low | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 43% | 0.433 | C | S | . | . | trans | -70.9 | 100.2 | -174.9 | -61.3 | 172.9 | 0 | 0 | 0 | 110.3 | T535 D536 F537 I590 H612 L615 I666 L669 | T535-L617 HydrophobicContact CG2-CD2 4.36Å; D536-L617 WeakPolarHBondContact O-CA 3.23Å; F537-L617 HydrophobicContact CB-CD2 3.75Å; I590-L617 HydrophobicContact CD1-CD2 4.16Å; I590-L617 HydrophobicContact CG1-CD2 4.39Å; H612-L617 PolarHBondContact NE2-O 2.83Å; H612-L617 VanDerWaalsContact NE2-O 3.11Å; H612-L617 PolarHBondContact O-N 3.32Å; L615-L617 VanDerWaalsContact C-N 3.29Å; L615-L617 HydrophobicContact CB-CD2 3.9Å; L615-L617 HydrophobicContact CB-CG 3.88Å; L615-L617 PolarHBondContact O-N 3.18Å; L617-I666 HydrophobicContact CD1-CG1 4.15Å; L617-L669 HydrophobicContact CD1-CD1 4.32Å; L617-L669 HydrophobicContact CD2-CD1 4.26Å | ||
| 618 | A | 75.8 | Confident | 63 | Low | 46 Ų | 46 | 84.1 Ų | 84.1 | 38% | 0.38 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T535 D536 Q616 | T535-A618 CarbonylContact C-O 3.55Å; T535-A618 WeakPolarHBondContact CA-O 3.36Å; D536-A618 PolarHBondContact N-O 2.76Å; D536-A618 PolarHBondContact O-N 3.21Å; Q616-A618 PolarHBondContact O-N 3.3Å |
| 619 | V | 67.5 | Low | 59.7 | Low | 67 Ų | 67 | 92.1 Ų | 92.1 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.6 | 168.9 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | E621 L665 | V619-E621 PolarHBondContact O-N 2.88Å; V619-L665 HydrophobicContact CG2-CD2 3.83Å |
| 620 | S | 63.3 | Low | 56.7 | Low | 38 Ų | 38 | 96.2 Ų | 96.2 | 27% | 0.266 | 52% | 0.521 | S | S | . | . | trans | -70.2 | 101.6 | 174 | -144.4 | 0 | 0 | 0 | 0 | 109.6 | G533 V534 D536 G622 | G533-S620 WeakPolarHBondContact CA-O 3.47Å; G533-S620 PolarHBondContact N-O 3.18Å; V534-S620 WeakPolarHBondContact O-CB 3.38Å; V534-S620 PolarHBondContact O-N 3.39Å; D536-S620 WeakPolarHBondContact OD2-CB 3.42Å; D536-S620 PolarHBondContact OD2-OG 2.73Å; S620-G622 PolarHBondContact O-N 3.1Å | ||
| 621 | E | 55.4 | Low | 53.7 | Low | 182 Ų | 182 | 98.5 Ų | 98.5 | 85% | 0.85 | 54% | 0.542 | S | S | * | . | trans | -65.3 | 103.5 | 167.5 | -70.7 | -168.5 | 169.9 | 0 | 0 | 108.1 | V619 R623 | V619-E621 PolarHBondContact O-N 2.88Å; E621-R623 PolarHBondContact O-N 3.47Å | ||
| 622 | G | 44.9 | Very low | 50.6 | Low | 54 Ų | 54 | 104 Ų | 104 | 56% | 0.557 | 58% | 0.58 | S | S | * | * | trans | -56.3 | 110.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S620 S624 | S620-G622 PolarHBondContact O-N 3.1Å; G622-S624 PolarHBondContact O-N 2.86Å | ||
| 623 | R | 29.9 | Very low | 47.6 | Very low | 252 Ų | 252 | 108.8 Ų | 108.8 | 95% | 0.951 | 61% | 0.611 | S | S | * | * | trans | -57.1 | 102.1 | 165.6 | -79.1 | -172.8 | -173.3 | -161 | 2.2 | 108.4 | E621 | E621-R623 PolarHBondContact O-N 3.47Š| ||
| 624 | S | 28.4 | Very low | 44.6 | Very low | 92 Ų | 92 | 106.3 Ų | 106.3 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | trans | -62.5 | 128.7 | 168.6 | -168.9 | 0 | 0 | 0 | 0 | 108.6 | G622 M626 | G622-S624 PolarHBondContact O-N 2.86Å; S624-M626 PolarHBondContact O-N 3.38Å | ||
| 625 | P | 29.9 | Very low | 41.5 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 81% | 0.805 | 64% | 0.641 | S | S | * | * | trans | -78.8 | 79.1 | 173.4 | 32.3 | -29.7 | 0 | 0 | 0 | 108.1 | ||||
| 626 | M | 23.6 | Very low | 38.4 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 74% | 0.739 | 68% | 0.678 | S | S | * | * | trans | -105.7 | 122.6 | 165.1 | -79.6 | -93.8 | 64.3 | 0 | 0 | 109.1 | S624 N628 | S624-M626 PolarHBondContact O-N 3.38Å; M626-N628 PolarHBondContact O-N 3.42Å | ||
| 627 | C | 22.2 | Very low | 35.4 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 72% | 0.716 | 68% | 0.683 | S | S | * | * | trans | -53.5 | 117.7 | 179.3 | -50 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 628 | N | 25.6 | Very low | 32.7 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 92% | 0.92 | 72% | 0.72 | S | S | * | * | trans | -101.9 | 76.8 | 157.5 | -103.6 | 3.6 | 0 | 0 | 0 | 107.8 | M626 | M626-N628 PolarHBondContact O-N 3.42Š| ||
| 629 | E | 19.9 | Very low | 31.1 | Very low | 168 Ų | 168 | 132 Ų | 132 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -89.2 | 114.1 | 149.7 | -74 | -175.3 | 159.4 | 0 | 0 | 106.4 | ||||
| 630 | N | 23.1 | Very low | 28.9 | Very low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 151.1 | 91.3 | 146.9 | -76.8 | -18.4 | 0 | 0 | 0 | 110.8 | ||||
| 631 | S | 25.8 | Very low | 26.8 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | -179.2 | 84.4 | 124.5 | 37.2 | 0 | 0 | 0 | 0 | 109.1 | T633 | S631-T633 PolarHBondContact O-N 3Š| |||
| 632 | S | 20.7 | Very low | 25.3 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -58.3 | 112.9 | 148.4 | 47.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 633 | T | 23.8 | Very low | 24.2 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -157 | 103.6 | 148.5 | -7.1 | 0 | 0 | 0 | 0 | 111 | S631 | S631-T633 PolarHBondContact O-N 3Š| ||
| 634 | S | 22.2 | Very low | 23.9 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 37.6 | 111.6 | 138.1 | 57.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 635 | K | 20.7 | Very low | 23.7 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -11.7 | 127 | 130.9 | -62.7 | 173.4 | 176.4 | 178 | 0 | 115.4 | ||||
| 636 | Q | 20.8 | Very low | 23.4 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | -177.4 | 117.2 | 124.9 | -103.7 | 178.1 | -2.5 | 0 | 0 | 113.2 | |||||
| 637 | N | 21.2 | Very low | 23.3 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | 51.7 | 108.6 | 124.2 | -68.4 | -4.4 | 0 | 0 | 0 | 124 | |||||
| 638 | V | 22.7 | Very low | 23.5 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | 55.5 | 172.6 | 123.8 | -131.1 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 639 | P | 41 | Very low | 23.3 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | -120.5 | 168.8 | -106.3 | 41.8 | -24.6 | 0 | 0 | 0 | 115 | |||||
| 640 | A | 22.2 | Very low | 23.6 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -175 | 125.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 641 | T | 19.1 | Very low | 23.6 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | 8.7 | 121.1 | 136.9 | 48.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 642 | D | 23.3 | Very low | 23.5 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | -173.2 | 148 | 103.9 | -109.7 | -22.4 | 0 | 0 | 0 | 113.6 | |||||
| 643 | S | 21.6 | Very low | 23.8 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -73.6 | 138.2 | 173.8 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 644 | S | 24.5 | Very low | 24 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 168.8 | 111.9 | 136.4 | 46 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 645 | I | 23.6 | Very low | 24.3 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | 60.2 | 96.5 | 102.2 | -59.4 | 169.2 | 0 | 0 | 0 | 113.7 | |||||
| 646 | T | 23.3 | Very low | 24.8 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 161.3 | 124.9 | 108 | 31 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 647 | S | 21.7 | Very low | 25.6 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 28.7 | 105.6 | 141.5 | 64.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 648 | K | 27 | Very low | 26.7 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | -160.8 | 92.2 | 124.9 | -105.7 | 175.3 | -175.6 | -175.3 | 0 | 107.8 | E650 | K648-E650 PolarHBondContact O-N 3.14Š| |||
| 649 | M | 22.1 | Very low | 28.2 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | -72.7 | 77.4 | 169.1 | -167.3 | 165.5 | -174.8 | 0 | 0 | 107.1 | T651 | M649-T651 VanDerWaalsContact C-N 3.26Å; M649-T651 PolarHBondContact O-N 2.95Å; M649-T651 VanDerWaalsContact O-N 3.12Å | ||
| 650 | E | 24.8 | Very low | 29.4 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | -70.4 | 97.6 | 155 | -82.3 | 174 | -178.1 | 0 | 0 | 105.4 | K648 C652 | K648-E650 PolarHBondContact O-N 3.14Å; E650-C652 VanDerWaalsContact C-N 3.25Å; E650-C652 PolarHBondContact O-N 3.1Å | ||
| 651 | T | 23.5 | Very low | 31.7 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | -51.8 | 98.1 | 161.6 | 39.1 | 0 | 0 | 0 | 0 | 107.3 | M649 S653 | M649-T651 VanDerWaalsContact C-N 3.26Å; M649-T651 PolarHBondContact O-N 2.95Å; M649-T651 VanDerWaalsContact O-N 3.12Å; T651-S653 PolarHBondContact O-N 3.43Å | ||
| 652 | C | 24.4 | Very low | 34.4 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | trans | -53.3 | 107.8 | 163.1 | -156.1 | 0 | 0 | 0 | 0 | 105.4 | E650 Q654 | E650-C652 VanDerWaalsContact C-N 3.25Å; E650-C652 PolarHBondContact O-N 3.1Å; C652-Q654 PolarHBondContact O-N 2.97Å | ||
| 653 | S | 25.7 | Very low | 37.1 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | trans | -41.4 | 113.1 | 179.3 | -53.6 | 0 | 0 | 0 | 0 | 108.7 | T651 G655 | T651-S653 PolarHBondContact O-N 3.43Å; S653-G655 PolarHBondContact O-N 3.36Å | ||
| 654 | Q | 28.1 | Very low | 39.9 | Very low | 186 Ų | 186 | 117 Ų | 117 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | trans | -49.3 | 113 | 164.5 | -84.7 | 164.8 | -48.4 | 0 | 0 | 106 | C652 V656 | C652-Q654 PolarHBondContact O-N 2.97Å; Q654-V656 PolarHBondContact O-N 2.81Å | ||
| 655 | G | 29.9 | Very low | 42.6 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | trans | -48.8 | 114 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S653 L657 | S653-G655 PolarHBondContact O-N 3.36Å; G655-L657 PolarHBondContact O-N 3.19Å | ||
| 656 | V | 30.9 | Very low | 45.5 | Very low | 138 Ų | 138 | 105 Ų | 105 | 84% | 0.836 | 60% | 0.604 | S | S | * | * | trans | -62.8 | 90 | 163.1 | 178.6 | 0 | 0 | 0 | 0 | 104.1 | Q654 D658 | Q654-V656 PolarHBondContact O-N 2.81Å; V656-D658 PolarHBondContact O-N 3.31Å | ||
| 657 | L | 37.4 | Very low | 48.5 | Very low | 145 Ų | 145 | 101.2 Ų | 101.2 | 76% | 0.759 | 58% | 0.578 | S | S | * | * | trans | -55.2 | 130 | 170.3 | -68.9 | 166.7 | 0 | 0 | 0 | 106.5 | G655 S659 | G655-L657 PolarHBondContact O-N 3.19Å; L657-S659 PolarHBondContact O-N 3.28Å | ||
| 658 | D | 44 | Very low | 51.5 | Low | 127 Ų | 127 | 100.8 Ų | 100.8 | 68% | 0.679 | 56% | 0.56 | S | S | * | * | trans | -65 | 73.8 | -178.5 | -98.5 | -28.2 | 0 | 0 | 0 | 110.9 | V656 S660 C661 | V656-D658 PolarHBondContact O-N 3.31Å; D658-S660 PolarHBondContact O-N 2.89Å; D658-C661 PolarHBondContact O-N 3.39Å; D658-C661 VanDerWaalsContact O-N 3.12Å | ||
| 659 | S | 54.9 | Low | 54.3 | Low | 62 Ų | 62 | 92.3 Ų | 92.3 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -53.8 | -22.1 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | L657 L663 | L657-S659 PolarHBondContact O-N 3.28Å; S659-L663 WeakPolarHBondContact O-CB 3.44Å; S659-L663 PolarHBondContact O-N 3.11Å |
| 660 | S | 66.8 | Low | 57.4 | Low | 81 Ų | 81 | 83.9 Ų | 83.9 | 57% | 0.566 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.5 | -42.1 | 178.6 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | D658 L663 D664 | D658-S660 PolarHBondContact O-N 2.89Å; S660-L663 PolarHBondContact O-N 2.7Å; S660-D664 PolarHBondContact O-N 2.96Å |
| 661 | C | 69 | Low | 60.5 | Low | 75 Ų | 75 | 78.1 Ų | 78.1 | 51% | 0.507 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.4 | -40.7 | -175.6 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | D658 L663 D664 L665 | D658-C661 PolarHBondContact O-N 3.39Å; D658-C661 VanDerWaalsContact O-N 3.12Å; C661-L663 VanDerWaalsContact C-N 3.34Å; C661-D664 PolarHBondContact O-N 2.89Å; C661-L665 PolarHBondContact O-N 2.66Å; C661-L665 VanDerWaalsContact O-N 3.08Å |
| 662 | E | 75.6 | Confident | 63.5 | Low | 72 Ų | 72 | 73.6 Ų | 73.6 | 34% | 0.336 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.6 | -66.1 | 178.7 | 171 | 0 | 0 | 111.4 | H612 L665 I666 M698 | H612-E662 IonicContact CE1-OE2 3.06Å; H612-E662 PolarHBondContact CE1-OE2 2.9Å; H612-E662 IonicContact NE2-OE2 3.16Å; E662-L665 WeakPolarHBondContact O-CB 3.35Å; E662-L665 PolarHBondContact O-N 3.46Å; E662-I666 VanDerWaalsContact O-CG1 3.31Å; E662-I666 WeakPolarHBondContact O-CG1 3.47Å; E662-I666 PolarHBondContact O-N 3.13Å; E662-M698 HydrophobicContact CB-CE 4.16Å |
| 663 | L | 80.5 | Confident | 66.7 | Low | 31 Ų | 31 | 67.7 Ų | 67.7 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 179.4 | -166.4 | 64.3 | 0 | 0 | 0 | 112 | S659 S660 C661 L665 I666 Q667 V696 M698 | S659-L663 WeakPolarHBondContact O-CB 3.44Å; S659-L663 PolarHBondContact O-N 3.11Å; S660-L663 PolarHBondContact O-N 2.7Å; C661-L663 VanDerWaalsContact C-N 3.34Å; L663-L665 VanDerWaalsContact C-N 3.28Å; L663-L665 PolarHBondContact O-N 2.72Å; L663-I666 PolarHBondContact O-N 3.17Å; L663-Q667 VanDerWaalsContact O-CB 3.28Å; L663-Q667 WeakPolarHBondContact O-CB 3.42Å; L663-Q667 PolarHBondContact O-N 3.03Å; L663-V696 VanDerWaalsContact CD1-O 3.26Å; L663-V696 WeakPolarHBondContact CD1-O 3.3Å; L663-V696 WeakPolarHBondContact CD2-O 3.14Å; L663-V696 VanDerWaalsContact CG-O 3.23Å; L663-V696 WeakPolarHBondContact CG-O 3.43Å; L663-M698 HydrophobicContact CD1-CG 4.26Å; L663-M698 HydrophobicContact CD1-SD 4.44Å |
| 664 | D | 80.7 | Confident | 69.7 | Low | 113 Ų | 113 | 63.8 Ų | 63.8 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.1 | -39.2 | 173.5 | -75.5 | -20.5 | 0 | 0 | 0 | 111.7 | S660 C661 R668 | S660-D664 PolarHBondContact O-N 2.96Å; C661-D664 PolarHBondContact O-N 2.89Å; D664-R668 VanDerWaalsContact O-CB 3.31Å; D664-R668 WeakPolarHBondContact O-CB 3.49Å; D664-R668 PolarHBondContact O-N 2.88Å |
| 665 | L | 81.5 | Confident | 72.6 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -53.4 | 173.7 | 165.5 | 65.3 | 0 | 0 | 0 | 111.3 | T535 V619 C661 E662 L663 Q667 R668 L669 | T535-L665 HydrophobicContact CG2-CD1 4.16Å; T535-L665 HydrophobicContact CG2-CD2 3.77Å; T535-L665 HydrophobicContact CG2-CG 4.46Å; T535-L665 WeakPolarHBondContact OG1-CD1 3.33Å; V619-L665 HydrophobicContact CG2-CD2 3.83Å; C661-L665 PolarHBondContact O-N 2.66Å; C661-L665 VanDerWaalsContact O-N 3.08Å; E662-L665 WeakPolarHBondContact O-CB 3.35Å; E662-L665 PolarHBondContact O-N 3.46Å; L663-L665 VanDerWaalsContact C-N 3.28Å; L663-L665 PolarHBondContact O-N 2.72Å; L665-Q667 VanDerWaalsContact C-N 3.31Å; L665-Q667 PolarHBondContact O-N 2.94Å; L665-R668 WeakPolarHBondContact O-CB 3.39Å; L665-R668 PolarHBondContact O-N 2.95Å; L665-R668 VanDerWaalsContact O-N 3.13Å; L665-L669 HydrophobicContact CD1-CD1 4.01Å; L665-L669 HydrophobicContact CD1-CG 4.1Å; L665-L669 HydrophobicContact CG-CD1 4.21Å; L665-L669 WeakPolarHBondContact O-CG 3.48Å; L665-L669 PolarHBondContact O-N 2.85Å |
| 666 | I | 84.8 | Confident | 75.3 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | -178.6 | -63.8 | 162.4 | 0 | 0 | 0 | 110.1 | V608 H612 L617 E662 L663 R668 L669 L670 M698 | V608-I666 HydrophobicContact CG1-CD1 3.94Å; V608-I666 HydrophobicContact CG1-CG2 3.95Å; H612-I666 HydrophobicContact CB-CD1 3.94Å; L617-I666 HydrophobicContact CD1-CG1 4.15Å; E662-I666 VanDerWaalsContact O-CG1 3.31Å; E662-I666 WeakPolarHBondContact O-CG1 3.47Å; E662-I666 PolarHBondContact O-N 3.13Å; L663-I666 PolarHBondContact O-N 3.17Å; I666-R668 VanDerWaalsContact C-N 3.28Å; I666-R668 PolarHBondContact O-N 3.41Å; I666-L669 PolarHBondContact O-N 3.34Å; I666-L670 HydrophobicContact CG2-CD1 3.63Å; I666-L670 HydrophobicContact CG2-CG 4.01Å; I666-L670 WeakPolarHBondContact O-CG 3.43Å; I666-L670 PolarHBondContact O-N 2.82Å; I666-M698 HydrophobicContact CD1-CE 3.82Å; I666-M698 HydrophobicContact CD1-SD 4.07Å |
| 667 | Q | 86.1 | Confident | 78.1 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 20% | 0.201 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.7 | -45 | 175.5 | 178.1 | 130.7 | 4.4 | 0 | 0 | 111.3 | L663 L665 L669 L670 T671 N694 | L663-Q667 VanDerWaalsContact O-CB 3.28Å; L663-Q667 WeakPolarHBondContact O-CB 3.42Å; L663-Q667 PolarHBondContact O-N 3.03Å; L665-Q667 VanDerWaalsContact C-N 3.31Å; L665-Q667 PolarHBondContact O-N 2.94Å; Q667-L669 VanDerWaalsContact C-N 3.31Å; Q667-L669 PolarHBondContact O-N 2.99Å; Q667-L670 PolarHBondContact O-N 2.85Å; Q667-T671 WeakPolarHBondContact O-CB 3.45Å; Q667-T671 PolarHBondContact O-N 3.16Å; Q667-T671 PolarHBondContact O-OG1 3.18Å; Q667-N694 PolarHBondContact NE2-O 3.38Å |
| 668 | R | 83.6 | Confident | 80.6 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -32.2 | 176.3 | -176.6 | 171.6 | 58.7 | 81.3 | -2.4 | 113.3 | D664 L665 I666 P672 S721 | D664-R668 VanDerWaalsContact O-CB 3.31Å; D664-R668 WeakPolarHBondContact O-CB 3.49Å; D664-R668 PolarHBondContact O-N 2.88Å; L665-R668 WeakPolarHBondContact O-CB 3.39Å; L665-R668 PolarHBondContact O-N 2.95Å; L665-R668 VanDerWaalsContact O-N 3.13Å; I666-R668 VanDerWaalsContact C-N 3.28Å; I666-R668 PolarHBondContact O-N 3.41Å; R668-P672 VanDerWaalsContact O-CD 3.25Å; R668-P672 WeakPolarHBondContact O-CD 3.26Å; R668-S721 PolarHBondContact NH1-OG 2.87Å |
| 669 | L | 85.7 | Confident | 82.9 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.2 | -36.4 | 176.4 | -65.9 | 175.3 | 0 | 0 | 0 | 112.6 | T535 I590 N591 I594 L617 L665 I666 Q667 P672 | T535-L669 HydrophobicContact CG2-CD1 4.43Å; I590-L669 HydrophobicContact CD1-CD1 3.61Å; I590-L669 HydrophobicContact CD1-CD2 3.75Å; I590-L669 HydrophobicContact CD1-CG 4.34Å; I590-L669 HydrophobicContact CG1-CD1 4.14Å; I590-L669 HydrophobicContact CG1-CD2 4.17Å; I590-L669 HydrophobicContact CG2-CD2 3.99Å; N591-L669 PolarHBondContact ND2-O 3.5Å; I594-L669 HydrophobicContact CD1-CB 4.07Å; L617-L669 HydrophobicContact CD1-CD1 4.32Å; L617-L669 HydrophobicContact CD2-CD1 4.26Å; L665-L669 HydrophobicContact CD1-CD1 4.01Å; L665-L669 HydrophobicContact CD1-CG 4.1Å; L665-L669 HydrophobicContact CG-CD1 4.21Å; L665-L669 WeakPolarHBondContact O-CG 3.48Å; L665-L669 PolarHBondContact O-N 2.85Å; I666-L669 PolarHBondContact O-N 3.34Å; Q667-L669 VanDerWaalsContact C-N 3.31Å; Q667-L669 PolarHBondContact O-N 2.99Å; L669-P672 WeakPolarHBondContact O-CD 3.49Å |
| 670 | L | 88.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -78.4 | -34.1 | 179.7 | -64.6 | 176 | 0 | 0 | 0 | 112.6 | I594 L611 I666 Q667 L673 I674 I679 V696 I702 | I594-L670 HydrophobicContact CD1-CD2 4.26Å; I594-L670 HydrophobicContact CG2-CD2 4.13Å; L611-L670 HydrophobicContact CD2-CD2 4.04Å; I666-L670 HydrophobicContact CG2-CD1 3.63Å; I666-L670 HydrophobicContact CG2-CG 4.01Å; I666-L670 WeakPolarHBondContact O-CG 3.43Å; I666-L670 PolarHBondContact O-N 2.82Å; Q667-L670 PolarHBondContact O-N 2.85Å; L670-L673 WeakPolarHBondContact O-CB 3.39Å; L670-L673 PolarHBondContact O-N 2.69Å; L670-I674 HydrophobicContact CB-CD1 3.9Å; L670-I674 WeakPolarHBondContact O-CG1 3.27Å; L670-I674 PolarHBondContact O-N 3.08Å; L670-I679 HydrophobicContact CB-CD1 4.47Å; L670-I679 HydrophobicContact CD2-CD1 3.71Å; L670-V696 HydrophobicContact CD1-CG1 4.3Å; L670-I702 HydrophobicContact CD1-CD1 3.66Å; L670-I702 HydrophobicContact CD1-CG1 4.29Å; L670-I702 HydrophobicContact CD2-CD1 3.96Å; L670-I702 HydrophobicContact CG-CD1 4.49Å |
| 671 | T | 88.2 | Confident | 85.6 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 28% | 0.282 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -49.8 | -47.1 | -175.4 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | Q667 L673 I674 E675 | Q667-T671 WeakPolarHBondContact O-CB 3.45Å; Q667-T671 PolarHBondContact O-N 3.16Å; Q667-T671 PolarHBondContact O-OG1 3.18Å; T671-L673 VanDerWaalsContact C-N 3.3Å; T671-L673 PolarHBondContact O-N 2.75Å; T671-I674 PolarHBondContact O-N 3.18Å; T671-E675 HydrophobicContact CG2-CG 4.12Å; T671-E675 WeakPolarHBondContact O-CB 3.49Å; T671-E675 WeakPolarHBondContact O-CG 3.38Å; T671-E675 PolarHBondContact O-N 3.42Å |
| 672 | P | 88.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -32.8 | 178 | -23.9 | 34.8 | 0 | 0 | 0 | 114.4 | R668 L669 L676 V717 | R668-P672 VanDerWaalsContact O-CD 3.25Å; R668-P672 WeakPolarHBondContact O-CD 3.26Å; L669-P672 WeakPolarHBondContact O-CD 3.49Å; P672-L676 WeakPolarHBondContact O-CG 3.43Å; P672-L676 PolarHBondContact O-N 2.97Å; P672-V717 HydrophobicContact CB-CG1 3.57Å |
| 673 | L | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -77.3 | -35.2 | 178.1 | -62.5 | 177.1 | 0 | 0 | 0 | 111.1 | N591 I594 L595 L670 T671 L676 N677 I678 I679 V717 | N591-L673 HydrophobicContact CB-CD1 4.43Å; N591-L673 HydrophobicContact CB-CD2 4.36Å; I594-L673 HydrophobicContact CB-CD1 4.34Å; I594-L673 HydrophobicContact CG2-CD1 4.06Å; L595-L673 HydrophobicContact CD1-CD2 4.04Å; L595-L673 HydrophobicContact CD2-CD1 4.36Å; L595-L673 HydrophobicContact CG-CD1 4.25Å; L595-L673 HydrophobicContact CG-CD2 4.5Å; L670-L673 WeakPolarHBondContact O-CB 3.39Å; L670-L673 PolarHBondContact O-N 2.69Å; T671-L673 VanDerWaalsContact C-N 3.3Å; T671-L673 PolarHBondContact O-N 2.75Å; L673-L676 PolarHBondContact O-N 3.23Å; L673-N677 PolarHBondContact O-N 2.77Å; L673-I678 HydrophobicContact CD2-CD1 4.33Å; L673-I678 PolarHBondContact O-N 2.91Å; L673-I679 HydrophobicContact CB-CD1 3.52Å; L673-I679 HydrophobicContact CB-CG1 3.69Å; L673-I679 HydrophobicContact CD1-CD1 3.92Å; L673-I679 HydrophobicContact CG-CD1 4.37Å; L673-V717 HydrophobicContact CD2-CG1 4.16Å; L673-V717 HydrophobicContact CD2-CG2 3.89Å |
| 674 | I | 89.3 | Confident | 85 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 173.7 | -63.1 | 166.7 | 0 | 0 | 0 | 110.9 | L670 T671 L676 N677 I679 V681 | L670-I674 HydrophobicContact CB-CD1 3.9Å; L670-I674 WeakPolarHBondContact O-CG1 3.27Å; L670-I674 PolarHBondContact O-N 3.08Å; T671-I674 PolarHBondContact O-N 3.18Å; I674-L676 PolarHBondContact O-N 3.19Å; I674-N677 WeakPolarHBondContact O-CA 3.39Å; I674-N677 PolarHBondContact O-N 2.78Å; I674-N677 PolarHBondContact O-OD1 3.5Å; I674-I679 WeakPolarHBondContact CA-O 3.46Å; I674-I679 HydrophobicContact CG1-CD1 4.24Å; I674-I679 HydrophobicContact CG1-CG1 3.76Å; I674-V681 HydrophobicContact CD1-CG2 3.8Å |
| 675 | E | 87.9 | Confident | 83.7 | Confident | 111 Ų | 111 | 51.6 Ų | 51.6 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -32.9 | 176 | -77.9 | -179.8 | 178.6 | 0 | 0 | 112 | T671 N677 K724 | T671-E675 HydrophobicContact CG2-CG 4.12Å; T671-E675 WeakPolarHBondContact O-CB 3.49Å; T671-E675 WeakPolarHBondContact O-CG 3.38Å; T671-E675 PolarHBondContact O-N 3.42Å; E675-N677 VanDerWaalsContact C-N 3.27Å; E675-K724 VanDerWaalsContact CD-NZ 3.27Å; E675-K724 IonicContact OE1-NZ 3.85Å; E675-K724 PolarHBondContact OE1-NZ 2.93Å; E675-K724 IonicContact OE2-NZ 3.59Å; E675-K724 PolarHBondContact OE2-NZ 2.86Å |
| 676 | L | 87.7 | Confident | 82.1 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.4 | 173.3 | -71.9 | 174.2 | 0 | 0 | 0 | 113.3 | P672 L673 I674 I678 F708 V717 | P672-L676 WeakPolarHBondContact O-CG 3.43Å; P672-L676 PolarHBondContact O-N 2.97Å; L673-L676 PolarHBondContact O-N 3.23Å; I674-L676 PolarHBondContact O-N 3.19Å; L676-I678 HydrophobicContact CB-CD1 3.93Å; L676-I678 HydrophobicContact CB-CG1 3.92Å; L676-I678 HydrophobicContact CD1-CD1 4.04Å; L676-I678 PolarHBondContact O-N 3.27Å; L676-F708 WeakPolarHBondContact O-CE2 3.4Å; L676-V717 HydrophobicContact CD1-CB 4.3Å; L676-V717 HydrophobicContact CD1-CG2 3.79Å |
| 677 | N | 89.6 | Confident | 80.2 | Confident | 101 Ų | 101 | 69.8 Ų | 69.8 | 54% | 0.54 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 24.9 | -174.9 | -68.2 | -32.7 | 0 | 0 | 0 | 114.5 | L673 I674 E675 N705 F708 | L673-N677 PolarHBondContact O-N 2.77Å; I674-N677 WeakPolarHBondContact O-CA 3.39Å; I674-N677 PolarHBondContact O-N 2.78Å; I674-N677 PolarHBondContact O-OD1 3.5Å; E675-N677 VanDerWaalsContact C-N 3.27Å; N677-N705 VanDerWaalsContact O-CB 3.25Å; N677-N705 WeakPolarHBondContact O-CB 3.5Å; N677-N705 PolarHBondContact O-ND2 3.31Å; N677-F708 HydrophobicContact CB-CD2 4.21Å; N677-F708 VanDerWaalsContact O-CD2 3.26Å; N677-F708 WeakPolarHBondContact O-CD2 3.37Å |
| 678 | I | 90.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -75.7 | -38 | 175.6 | -60.7 | 172 | 0 | 0 | 0 | 109.7 | L576 F578 I585 L595 L673 L676 N705 F708 | L576-I678 HydrophobicContact CD1-CG2 4.23Å; F578-I678 HydrophobicContact CZ-CG2 4.42Å; I585-I678 HydrophobicContact CD1-CD1 4.02Å; I585-I678 HydrophobicContact CG1-CD1 4.33Å; I585-I678 HydrophobicContact CG2-CD1 4.31Å; L595-I678 HydrophobicContact CD1-CG2 4.41Å; L595-I678 HydrophobicContact CD2-CG2 3.8Å; L673-I678 HydrophobicContact CD2-CD1 4.33Å; L673-I678 PolarHBondContact O-N 2.91Å; L676-I678 HydrophobicContact CB-CD1 3.93Å; L676-I678 HydrophobicContact CB-CG1 3.92Å; L676-I678 HydrophobicContact CD1-CD1 4.04Å; L676-I678 PolarHBondContact O-N 3.27Å; I678-N705 WeakPolarHBondContact O-CB 3.48Å; I678-N705 PolarHBondContact O-N 3.18Å; I678-F708 HydrophobicContact CG1-CE2 4.44Å; I678-F708 HydrophobicContact CG1-CZ 4.45Å |
| 679 | I | 91.6 | Very high | 76 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 158.1 | 174.7 | 70.1 | -176.4 | 0 | 0 | 0 | 109.6 | L595 F598 L670 L673 I674 I702 A703 L704 | L595-I679 HydrophobicContact CD2-CG2 3.93Å; F598-I679 HydrophobicContact CE2-CG2 4.49Å; L670-I679 HydrophobicContact CB-CD1 4.47Å; L670-I679 HydrophobicContact CD2-CD1 3.71Å; L673-I679 HydrophobicContact CB-CD1 3.52Å; L673-I679 HydrophobicContact CB-CG1 3.69Å; L673-I679 HydrophobicContact CD1-CD1 3.92Å; L673-I679 HydrophobicContact CG-CD1 4.37Å; I674-I679 WeakPolarHBondContact CA-O 3.46Å; I674-I679 HydrophobicContact CG1-CD1 4.24Å; I674-I679 HydrophobicContact CG1-CG1 3.76Å; I679-I702 HydrophobicContact CB-CG2 4.35Å; I679-I702 HydrophobicContact CD1-CG2 3.93Å; I679-I702 HydrophobicContact CG1-CG2 4.28Å; I679-A703 CarbonylContact C-O 3.41Å; I679-A703 VanDerWaalsContact CA-O 3.24Å; I679-A703 WeakPolarHBondContact CA-O 3.5Å; I679-L704 HydrophobicContact CG2-CD2 4Å |
| 680 | Y | 89.5 | Confident | 73.6 | Confident | 96 Ų | 96 | 81 Ų | 81 | 38% | 0.376 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 159.9 | 172.9 | 65.6 | -85.5 | 0 | 0 | 0 | 110.9 | E682 I702 A703 N705 | Y680-E682 HydrophobicContact CE2-CG 3.87Å; Y680-I702 WeakPolarHBondContact O-CA 3.36Å; Y680-A703 HydrophobicContact CD1-CB 4.4Å; Y680-A703 HydrophobicContact CE1-CB 3.82Å; Y680-A703 HydrophobicContact CE2-CB 3.93Å; Y680-A703 PolarHBondContact N-O 3.05Å; Y680-A703 PolarHBondContact O-N 3.11Å; Y680-N705 HydrophobicContact CD1-CB 4.02Å; Y680-N705 HydrophobicContact CE1-CB 4.4Å |
| 681 | V | 89 | Confident | 71.5 | Confident | 35 Ų | 35 | 87.3 Ų | 87.3 | 21% | 0.212 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.2 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | I674 V696 V701 | I674-V681 HydrophobicContact CD1-CG2 3.8Å; V681-V696 HydrophobicContact CG2-CG2 4.13Å; V681-V701 WeakPolarHBondContact CA-O 3.42Å |
| 682 | E | 83.6 | Confident | 69.1 | Low | 52 Ų | 52 | 91.4 Ų | 91.4 | 24% | 0.243 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 133.5 | 177.2 | -70.2 | -173.1 | 161.7 | 0 | 0 | 110.5 | R605 Y680 T684 V701 A703 | R605-E682 WeakPolarHBondContact CD-OE1 3.41Å; R605-E682 IonicContact CZ-OE1 3.26Å; R605-E682 VanDerWaalsContact CZ-OE1 3.26Å; R605-E682 IonicContact NE-OE1 2.69Å; R605-E682 PolarHBondContact NE-OE1 3.46Å; R605-E682 IonicContact NH1-OE1 3.43Å; R605-E682 PolarHBondContact NH1-OE1 3.11Å; R605-E682 IonicContact NH2-OE1 3.34Å; Y680-E682 HydrophobicContact CE2-CG 3.87Å; E682-T684 PolarHBondContact O-N 2.75Å; E682-V701 HydrophobicContact CB-CB 4.28Å; E682-V701 HydrophobicContact CG-CB 4.44Å; E682-V701 HydrophobicContact CG-CG1 4.38Å; E682-V701 PolarHBondContact N-O 2.83Å; E682-A703 HydrophobicContact CG-CB 4.46Å |
| 683 | A | 72.4 | Confident | 67.2 | Low | 102 Ų | 102 | 93.5 Ų | 93.5 | 84% | 0.843 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -74 | 116.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 684 | T | 57.4 | Low | 65.6 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 131.8 | 171.1 | -32.2 | 0 | 0 | 0 | 0 | 109.2 | E682 R686 Q687 | E682-T684 PolarHBondContact O-N 2.75Å; T684-R686 PolarHBondContact O-N 2.88Å; T684-Q687 PolarHBondContact O-N 3.29Å |
| 685 | E | 51.9 | Low | 64.6 | Low | 194 Ų | 194 | 102.7 Ų | 102.7 | 91% | 0.907 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -5.9 | -175.3 | -65 | -177.9 | 161.8 | 0 | 0 | 116.2 | ||
| 686 | R | 48.9 | Very low | 64.1 | Low | 239 Ų | 239 | 97.5 Ų | 97.5 | 90% | 0.902 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 2.7 | 179.6 | -65.7 | -174 | -179.9 | -174.9 | 0.4 | 115.4 | T684 | T684-R686 PolarHBondContact O-N 2.88Š|
| 687 | Q | 44.9 | Very low | 63.9 | Low | 152 Ų | 152 | 98 Ų | 98 | 71% | 0.71 | 54% | 0.539 | S | S | * | . | trans | -123.5 | 64.7 | 175.6 | -67.2 | -174.2 | 3.3 | 0 | 0 | 111.8 | T684 | T684-Q687 PolarHBondContact O-N 3.29Š| ||
| 688 | S | 41.2 | Very low | 63.4 | Low | 102 Ų | 102 | 95 Ų | 95 | 71% | 0.713 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -92 | 3.1 | 175.1 | 56.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 689 | N | 39.6 | Very low | 63.1 | Low | 148 Ų | 148 | 100.2 Ų | 100.2 | 79% | 0.791 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -142.4 | 13.8 | -172.1 | -91.2 | -17.2 | 0 | 0 | 0 | 118.2 | ||
| 690 | N | 35.1 | Very low | 62.9 | Low | 135 Ų | 135 | 100.5 Ų | 100.5 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | trans | -119.7 | 113.6 | 173.3 | -87.4 | -11.4 | 0 | 0 | 0 | 111.6 | L692 | N690-L692 HydrophobicContact CB-CD1 4.47Å; N690-L692 PolarHBondContact O-N 3.42Å | ||
| 691 | S | 44.9 | Very low | 62.9 | Low | 134 Ų | 134 | 97.4 Ų | 97.4 | 94% | 0.937 | 54% | 0.543 | S | S | * | . | trans | -67.7 | 25.4 | 171.9 | -28.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 692 | L | 37.3 | Very low | 63 | Low | 131 Ų | 131 | 95.9 Ų | 95.9 | 69% | 0.686 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -104.8 | 107.7 | 178.8 | -77 | 124 | 0 | 0 | 0 | 108.2 | N690 | N690-L692 HydrophobicContact CB-CD1 4.47Å; N690-L692 PolarHBondContact O-N 3.42Å |
| 693 | G | 48.8 | Very low | 63.4 | Low | 60 Ų | 60 | 93.4 Ų | 93.4 | 62% | 0.619 | 52% | 0.522 | S | S | * | . | trans | -57.6 | 140.3 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | I695 | G693-I695 VanDerWaalsContact C-N 3.29Å; G693-I695 WeakPolarHBondContact O-CG1 3.33Å; G693-I695 PolarHBondContact O-N 2.95Å | ||
| 694 | N | 56.2 | Low | 64.2 | Low | 110 Ų | 110 | 89.2 Ų | 89.2 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | trans | 24.8 | 51.5 | 153.9 | -62.8 | 4.2 | 0 | 0 | 0 | 117.1 | Q667 V696 | Q667-N694 PolarHBondContact NE2-O 3.38Å; N694-V696 PolarHBondContact O-N 2.97Å | ||
| 695 | I | 68.2 | Low | 65.8 | Low | 112 Ų | 112 | 86 Ų | 86 | 57% | 0.574 | 46% | 0.464 | S | S | * | . | trans | -73.5 | 115.2 | 169.3 | -61.5 | 173.5 | 0 | 0 | 0 | 107 | G693 | G693-I695 VanDerWaalsContact C-N 3.29Å; G693-I695 WeakPolarHBondContact O-CG1 3.33Å; G693-I695 PolarHBondContact O-N 2.95Å | ||
| 696 | V | 78.7 | Confident | 67.5 | Low | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.006 | 45% | 0.448 | C | S | . | . | trans | -78.3 | 134.6 | 179.9 | -179 | 0 | 0 | 0 | 0 | 108 | V608 L663 L670 V681 N694 | V608-V696 HydrophobicContact CB-CG1 4.42Å; V608-V696 HydrophobicContact CG1-CG1 4.25Å; V608-V696 HydrophobicContact CG2-CG1 3.45Å; V608-V696 VanDerWaalsContact CG2-CG1 3.45Å; L663-V696 VanDerWaalsContact CD1-O 3.26Å; L663-V696 WeakPolarHBondContact CD1-O 3.3Å; L663-V696 WeakPolarHBondContact CD2-O 3.14Å; L663-V696 VanDerWaalsContact CG-O 3.23Å; L663-V696 WeakPolarHBondContact CG-O 3.43Å; L670-V696 HydrophobicContact CD1-CG1 4.3Å; V681-V696 HydrophobicContact CG2-CG2 4.13Å; N694-V696 PolarHBondContact O-N 2.97Å | ||
| 697 | T | 83.1 | Confident | 69.4 | Low | 58 Ų | 58 | 76.9 Ų | 76.9 | 36% | 0.356 | 44% | 0.436 | S | S | . | . | trans | -112.5 | 161.9 | 172.4 | 65.3 | 0 | 0 | 0 | 0 | 110.5 | V608 D699 S700 | V608-T697 WeakPolarHBondContact CB-O 3.34Å; T697-D699 PolarHBondContact O-N 3.21Å; T697-D699 VanDerWaalsContact O-N 3.13Å; T697-S700 PolarHBondContact N-OG 3.05Å; T697-S700 WeakPolarHBondContact O-CB 3.36Å; T697-S700 PolarHBondContact O-N 3.07Å; T697-S700 PolarHBondContact O-OG 2.95Å; T697-S700 PolarHBondContact OG1-N 3.38Å; T697-S700 PolarHBondContact OG1-OG 2.91Å | ||
| 698 | M | 79.6 | Confident | 71.5 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.2 | 177.4 | -74.8 | -65.2 | -173.5 | 0 | 0 | 113.7 | V608 K609 E662 L663 I666 | V608-M698 HydrophobicContact CG1-SD 4.01Å; K609-M698 HydrophobicContact CB-CB 4.49Å; K609-M698 WeakPolarHBondContact CB-O 3.34Å; K609-M698 PolarHBondContact N-O 3.11Å; E662-M698 HydrophobicContact CB-CE 4.16Å; L663-M698 HydrophobicContact CD1-CG 4.26Å; L663-M698 HydrophobicContact CD1-SD 4.44Å; I666-M698 HydrophobicContact CD1-CE 3.82Å; I666-M698 HydrophobicContact CD1-SD 4.07Å |
| 699 | D | 83.6 | Confident | 73.6 | Confident | 111 Ų | 111 | 69.9 Ų | 69.9 | 59% | 0.594 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -1.5 | 175.5 | -72.7 | -48.7 | 0 | 0 | 0 | 113.9 | K609 T697 | K609-D699 IonicContact NZ-OD1 3.32Å; K609-D699 PolarHBondContact NZ-OD1 2.96Å; T697-D699 PolarHBondContact O-N 3.21Å; T697-D699 VanDerWaalsContact O-N 3.13Å |
| 700 | S | 87.8 | Confident | 76 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 142.4 | 174.3 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | K607 V608 T697 | K607-S700 WeakPolarHBondContact CA-O 3.41Å; V608-S700 WeakPolarHBondContact CG2-O 3.37Å; V608-S700 PolarHBondContact N-O 3.34Å; T697-S700 PolarHBondContact N-OG 3.05Å; T697-S700 WeakPolarHBondContact O-CB 3.36Å; T697-S700 PolarHBondContact O-N 3.07Å; T697-S700 PolarHBondContact O-OG 2.95Å; T697-S700 PolarHBondContact OG1-N 3.38Å; T697-S700 PolarHBondContact OG1-OG 2.91Å |
| 701 | V | 89.1 | Confident | 78.5 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 19% | 0.194 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.3 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | R605 K607 V681 E682 | R605-V701 HydrophobicContact CB-CG1 3.98Å; K607-V701 HydrophobicContact CG-CG2 4.13Å; V681-V701 WeakPolarHBondContact CA-O 3.42Å; E682-V701 HydrophobicContact CB-CB 4.28Å; E682-V701 HydrophobicContact CG-CB 4.44Å; E682-V701 HydrophobicContact CG-CG1 4.38Å; E682-V701 PolarHBondContact N-O 2.83Å |
| 702 | I | 91.3 | Very high | 80.5 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.6 | 175.4 | -23.6 | 162.9 | 0 | 0 | 0 | 107.3 | R605 I606 V608 L611 L670 I679 Y680 | R605-I702 WeakPolarHBondContact CA-O 3.35Å; I606-I702 PolarHBondContact N-O 3.29Å; I606-I702 PolarHBondContact O-N 3.05Å; V608-I702 HydrophobicContact CG2-CD1 3.73Å; V608-I702 HydrophobicContact CG2-CG1 3.59Å; L611-I702 HydrophobicContact CD2-CD1 3.6Å; L670-I702 HydrophobicContact CD1-CD1 3.66Å; L670-I702 HydrophobicContact CD1-CG1 4.29Å; L670-I702 HydrophobicContact CD2-CD1 3.96Å; L670-I702 HydrophobicContact CG-CD1 4.49Å; I679-I702 HydrophobicContact CB-CG2 4.35Å; I679-I702 HydrophobicContact CD1-CG2 3.93Å; I679-I702 HydrophobicContact CG1-CG2 4.28Å; Y680-I702 WeakPolarHBondContact O-CA 3.36Å |
| 703 | A | 91 | Very high | 83 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D604 R605 I679 Y680 E682 | D604-A703 CarbonylContact O-C 3.5Å; D604-A703 WeakPolarHBondContact O-CA 3.46Å; R605-A703 HydrophobicContact CG-CB 4.1Å; I679-A703 CarbonylContact C-O 3.41Å; I679-A703 VanDerWaalsContact CA-O 3.24Å; I679-A703 WeakPolarHBondContact CA-O 3.5Å; Y680-A703 HydrophobicContact CD1-CB 4.4Å; Y680-A703 HydrophobicContact CE1-CB 3.82Å; Y680-A703 HydrophobicContact CE2-CB 3.93Å; Y680-A703 PolarHBondContact N-O 3.05Å; Y680-A703 PolarHBondContact O-N 3.11Å; E682-A703 HydrophobicContact CG-CB 4.46Å |
| 704 | L | 90.3 | Very high | 85 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133 | 171.2 | -68.5 | 179.7 | 0 | 0 | 0 | 110.4 | F578 L595 F598 D604 I679 R706 | F578-L704 HydrophobicContact CD1-CD1 4.17Å; F578-L704 HydrophobicContact CE1-CD1 4.15Å; F578-L704 HydrophobicContact CE1-CD2 4.15Å; F578-L704 HydrophobicContact CE2-CB 4.29Å; F578-L704 HydrophobicContact CZ-CB 4.4Å; F578-L704 HydrophobicContact CZ-CD1 4.5Å; F578-L704 HydrophobicContact CZ-CD2 4.06Å; L595-L704 HydrophobicContact CD2-CD2 4.28Å; F598-L704 HydrophobicContact CB-CD1 3.84Å; F598-L704 HydrophobicContact CB-CD2 4.45Å; F598-L704 HydrophobicContact CB-CG 4.27Å; F598-L704 HydrophobicContact CD1-CD1 3.94Å; F598-L704 HydrophobicContact CD1-CD2 4.1Å; F598-L704 HydrophobicContact CD1-CG 3.59Å; F598-L704 HydrophobicContact CD2-CD2 3.74Å; F598-L704 HydrophobicContact CD2-CG 4.16Å; F598-L704 HydrophobicContact CE1-CD2 4.27Å; F598-L704 HydrophobicContact CE1-CG 3.87Å; F598-L704 HydrophobicContact CE2-CD2 3.91Å; F598-L704 HydrophobicContact CE2-CG 4.4Å; F598-L704 HydrophobicContact CG-CD1 3.89Å; F598-L704 HydrophobicContact CG-CD2 3.84Å; F598-L704 HydrophobicContact CG-CG 3.75Å; F598-L704 HydrophobicContact CZ-CD2 4.18Å; F598-L704 HydrophobicContact CZ-CG 4.27Å; D604-L704 HydrophobicContact CB-CB 4.45Å; D604-L704 PolarHBondContact O-N 3.43Å; I679-L704 HydrophobicContact CG2-CD2 4Å; L704-R706 PolarHBondContact O-N 3.33Å; L704-R706 VanDerWaalsContact O-N 3.15Å |
| 705 | N | 91.1 | Very high | 86.6 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | trans | -83.8 | 88.4 | 174.7 | -175.1 | 5.8 | 0 | 0 | 0 | 111.1 | F578 N677 I678 Y680 S707 F708 | F578-N705 WeakPolarHBondContact CE2-O 3.31Å; N677-N705 VanDerWaalsContact O-CB 3.25Å; N677-N705 WeakPolarHBondContact O-CB 3.5Å; N677-N705 PolarHBondContact O-ND2 3.31Å; I678-N705 WeakPolarHBondContact O-CB 3.48Å; I678-N705 PolarHBondContact O-N 3.18Å; Y680-N705 HydrophobicContact CD1-CB 4.02Å; Y680-N705 HydrophobicContact CE1-CB 4.4Å; N705-S707 PolarHBondContact O-N 3.02Å; N705-S707 VanDerWaalsContact O-N 3.14Å; N705-S707 WeakPolarHBondContact OD1-CA 3.32Å; N705-S707 PolarHBondContact OD1-N 2.98Å; N705-S707 VanDerWaalsContact OD1-N 3.08Å; N705-S707 PolarHBondContact OD1-OG 2.99Å; N705-F708 HydrophobicContact CB-CB 4.2Å; N705-F708 WeakPolarHBondContact O-CB 3.29Å; N705-F708 PolarHBondContact O-N 3.34Å; N705-F708 PolarHBondContact OD1-N 3Å | ||
| 706 | R | 88 | Confident | 87.4 | Confident | 151 Ų | 151 | 66.7 Ų | 66.7 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.8 | 174.5 | -68.6 | -163.4 | 177.3 | -138 | -1.8 | 114.3 | F578 D604 L704 F708 | F578-R706 HydrophobicContact CD2-CG 4.23Å; D604-R706 VanDerWaalsContact CG-NE 3.32Å; D604-R706 VanDerWaalsContact CG-NH2 3.32Å; D604-R706 IonicContact OD1-CZ 3.49Å; D604-R706 IonicContact OD1-NE 3.83Å; D604-R706 PolarHBondContact OD1-NE 2.72Å; D604-R706 IonicContact OD1-NH2 3.4Å; D604-R706 PolarHBondContact OD1-NH2 3.16Å; D604-R706 IonicContact OD2-CZ 2.86Å; D604-R706 IonicContact OD2-NE 3.29Å; D604-R706 PolarHBondContact OD2-NE 2.99Å; D604-R706 IonicContact OD2-NH2 2.67Å; D604-R706 PolarHBondContact OD2-NH2 3.33Å; L704-R706 PolarHBondContact O-N 3.33Å; L704-R706 VanDerWaalsContact O-N 3.15Å; R706-F708 VanDerWaalsContact C-N 3.28Å |
| 707 | S | 87 | Confident | 87.8 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 11.1 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | N705 T709 | N705-S707 PolarHBondContact O-N 3.02Å; N705-S707 VanDerWaalsContact O-N 3.14Å; N705-S707 WeakPolarHBondContact OD1-CA 3.32Å; N705-S707 PolarHBondContact OD1-N 2.98Å; N705-S707 VanDerWaalsContact OD1-N 3.08Å; N705-S707 PolarHBondContact OD1-OG 2.99Å; S707-T709 PolarHBondContact O-N 3.15Å |
| 708 | F | 88.8 | Confident | 87.2 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | trans | -58.3 | 123.3 | 178.2 | 173.7 | -106.7 | 0 | 0 | 0 | 110.7 | L576 T579 Y583 L676 N677 I678 N705 R706 L715 | L576-F708 HydrophobicContact CD1-CD1 4.24Å; L576-F708 HydrophobicContact CD1-CE1 4.35Å; T579-F708 HydrophobicContact CG2-CB 3.92Å; T579-F708 HydrophobicContact CG2-CD1 4.08Å; Y583-F708 HydrophobicContact CD1-CE1 4.2Å; Y583-F708 AromaticContact CD2-CD1 3.91Å; Y583-F708 HydrophobicContact CD2-CD1 3.91Å; Y583-F708 AromaticContact CD2-CE1 3.84Å; Y583-F708 HydrophobicContact CD2-CE1 3.84Å; Y583-F708 HydrophobicContact CE1-CE1 4.46Å; Y583-F708 AromaticContact CE2-CD1 4Å; Y583-F708 HydrophobicContact CE2-CD1 4Å; Y583-F708 HydrophobicContact CE2-CE1 4.12Å; Y583-F708 HydrophobicContact CG-CD1 4.44Å; Y583-F708 AromaticContact CG-CE1 3.92Å; Y583-F708 HydrophobicContact CG-CE1 3.92Å; L676-F708 WeakPolarHBondContact O-CE2 3.4Å; N677-F708 HydrophobicContact CB-CD2 4.21Å; N677-F708 VanDerWaalsContact O-CD2 3.26Å; N677-F708 WeakPolarHBondContact O-CD2 3.37Å; I678-F708 HydrophobicContact CG1-CE2 4.44Å; I678-F708 HydrophobicContact CG1-CZ 4.45Å; N705-F708 HydrophobicContact CB-CB 4.2Å; N705-F708 WeakPolarHBondContact O-CB 3.29Å; N705-F708 PolarHBondContact O-N 3.34Å; N705-F708 PolarHBondContact OD1-N 3Å; R706-F708 VanDerWaalsContact C-N 3.28Å; F708-L715 HydrophobicContact CE1-CD1 3.78Å; F708-L715 HydrophobicContact CZ-CD1 3.51Å | ||
| 709 | T | 87.3 | Confident | 86.4 | Confident | 98 Ų | 98 | 68.5 Ų | 68.5 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | trans | -133.6 | 141.3 | 173.6 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | S707 | S707-T709 PolarHBondContact O-N 3.15Š| ||
| 710 | S | 88.5 | Confident | 84.7 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | trans | -140.5 | 148.1 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | Y583 R712 | Y583-S710 PolarHBondContact OH-N 3.39Å; S710-R712 PolarHBondContact O-N 3.19Å; S710-R712 PolarHBondContact OG-N 3.03Å; S710-R712 PolarHBondContact OG-O 3.5Å | ||
| 711 | K | 88.5 | Confident | 82.8 | Confident | 222 Ų | 222 | 67.7 Ų | 67.7 | 97% | 0.965 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -65.6 | -22.2 | 172.4 | -65.9 | -176.8 | 179.6 | 179.3 | 0 | 112.2 | ||
| 712 | R | 87.2 | Confident | 80.7 | Confident | 173 Ų | 173 | 68.4 Ų | 68.4 | 65% | 0.653 | 34% | 0.341 | S | S | * | . | trans | -107.9 | 128.1 | -177.9 | -63.2 | 178.4 | 65 | 178.4 | 0.5 | 109.8 | Y583 S710 L715 | Y583-R712 WeakPolarHBondContact CD1-O 3.16Å; S710-R712 PolarHBondContact O-N 3.19Å; S710-R712 PolarHBondContact OG-N 3.03Å; S710-R712 PolarHBondContact OG-O 3.5Å; R712-L715 HydrophobicContact CB-CD2 4.27Å | ||
| 713 | L | 89.9 | Confident | 78.2 | Confident | 103 Ų | 103 | 71 Ų | 71 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -75.3 | -26.6 | 175 | -66.8 | 173.7 | 0 | 0 | 0 | 113 | K581 Y583 Q584 | K581-L713 HydrophobicContact CB-CD2 4.3Å; K581-L713 HydrophobicContact CD-CD2 4.16Å; Y583-L713 CarbonylContact C-O 3.29Å; Y583-L713 WeakPolarHBondContact CA-O 3.48Å; Y583-L713 HydrophobicContact CD1-CD2 4.27Å; Y583-L713 HydrophobicContact CE1-CD2 4.2Å; Q584-L713 PolarHBondContact N-O 3.28Å |
| 714 | K | 89.1 | Confident | 75.6 | Confident | 131 Ų | 131 | 77.4 Ų | 77.4 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.4 | 174.2 | -73.1 | -177.5 | 168.7 | -173.5 | 0 | 110.1 | Q584 | Q584-K714 HydrophobicContact CB-CG 4.13Å; Q584-K714 WeakPolarHBondContact O-CA 3.46Å |
| 715 | L | 89.7 | Confident | 73.5 | Confident | 18 Ų | 18 | 78.9 Ų | 78.9 | 9% | 0.094 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.2 | -178.4 | -63.6 | 152.5 | 0 | 0 | 0 | 109.2 | Y583 Q584 I585 Q586 F708 R712 | Y583-L715 HydrophobicContact CD1-CD1 4.32Å; Q584-L715 PolarHBondContact O-N 2.86Å; I585-L715 WeakPolarHBondContact CA-O 3.33Å; I585-L715 HydrophobicContact CD1-CB 3.66Å; I585-L715 HydrophobicContact CD1-CD1 3.51Å; I585-L715 HydrophobicContact CD1-CG 4.19Å; Q586-L715 PolarHBondContact N-O 3.1Å; F708-L715 HydrophobicContact CE1-CD1 3.78Å; F708-L715 HydrophobicContact CZ-CD1 3.51Å; R712-L715 HydrophobicContact CB-CD2 4.27Å |
| 716 | R | 86.9 | Confident | 71.7 | Confident | 80 Ų | 80 | 81 Ų | 81 | 30% | 0.302 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.8 | 176.4 | -169.3 | 177.5 | -164.5 | 167.6 | 12.6 | 108.5 | F457 N458 Q586 | F457-R716 PolarHBondContact O-NH2 3.22Å; N458-R716 PolarHBondContact OD1-NH1 3.05Å; Q586-R716 HydrophobicContact CB-CG 4.25Å; Q586-R716 CarbonylContact O-C 3.57Å; Q586-R716 WeakPolarHBondContact O-CA 3.39Å |
| 717 | V | 85.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | -77 | 121.6 | 169.6 | -172.1 | 0 | 0 | 0 | 0 | 107.2 | I585 Q586 A587 N591 P672 L673 L676 | I585-V717 HydrophobicContact CG2-CG2 3.55Å; Q586-V717 PolarHBondContact O-N 3.2Å; A587-V717 HydrophobicContact CB-CB 3.92Å; A587-V717 HydrophobicContact CB-CG2 3.61Å; N591-V717 HydrophobicContact CB-CG1 4.44Å; P672-V717 HydrophobicContact CB-CG1 3.57Å; L673-V717 HydrophobicContact CD2-CG1 4.16Å; L673-V717 HydrophobicContact CD2-CG2 3.89Å; L676-V717 HydrophobicContact CD1-CB 4.3Å; L676-V717 HydrophobicContact CD1-CG2 3.79Å | ||
| 718 | N | 70.8 | Confident | 69.5 | Low | 101 Ų | 101 | 78.6 Ų | 78.6 | 54% | 0.54 | 41% | 0.407 | S | S | . | . | trans | -68.2 | 137 | 179.3 | -70.8 | -26 | 0 | 0 | 0 | 110.3 | G720 | N718-G720 PolarHBondContact O-N 3.42Š| ||
| 719 | F | 63.8 | Low | 68.6 | Low | 33 Ų | 33 | 80.9 Ų | 80.9 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | trans | -64.2 | 100.1 | 177.4 | -62.6 | -94.1 | 0 | 0 | 0 | 110.3 | F457 T571 P588 S721 Q722 G723 | F457-F719 HydrophobicContact CD1-CE1 4.04Å; F457-F719 AromaticContact CD1-CE2 3.86Å; F457-F719 HydrophobicContact CD1-CE2 3.86Å; F457-F719 AromaticContact CD1-CZ 3.42Å; F457-F719 HydrophobicContact CD1-CZ 3.42Å; F457-F719 VanDerWaalsContact CD1-CZ 3.42Å; F457-F719 HydrophobicContact CE1-CD1 4.14Å; F457-F719 AromaticContact CE1-CE1 3.36Å; F457-F719 HydrophobicContact CE1-CE1 3.36Å; F457-F719 AromaticContact CE1-CE2 3.96Å; F457-F719 HydrophobicContact CE1-CE2 3.96Å; F457-F719 AromaticContact CE1-CZ 3.26Å; F457-F719 HydrophobicContact CE1-CZ 3.26Å; F457-F719 HydrophobicContact CG-CE2 4.34Å; F457-F719 HydrophobicContact CG-CZ 4.33Å; F457-F719 HydrophobicContact CZ-CD1 4.22Å; F457-F719 AromaticContact CZ-CE1 3.88Å; F457-F719 HydrophobicContact CZ-CE1 3.88Å; F457-F719 HydrophobicContact CZ-CZ 4.05Å; T571-F719 HydrophobicContact CG2-CE1 3.79Å; T571-F719 HydrophobicContact CG2-CZ 3.47Å; T571-F719 VanDerWaalsContact CG2-CZ 3.47Å; P588-F719 HydrophobicContact CB-CD1 4.1Å; P588-F719 HydrophobicContact CB-CE1 4.17Å; P588-F719 HydrophobicContact CG-CD1 3.6Å; P588-F719 HydrophobicContact CG-CE1 3.86Å; P588-F719 HydrophobicContact CG-CG 4.15Å; F719-S721 PolarHBondContact O-N 2.95Å; F719-Q722 PolarHBondContact O-N 2.66Å; F719-G723 WeakPolarHBondContact O-CA 3.43Å; F719-G723 PolarHBondContact O-N 3.1Å | ||
| 720 | G | 48 | Very low | 68.1 | Low | 31 Ų | 31 | 76.6 Ų | 76.6 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N718 Q722 | N718-G720 PolarHBondContact O-N 3.42Å; G720-Q722 PolarHBondContact O-N 3.37Å |
| 721 | S | 46.7 | Very low | 67.6 | Low | 69 Ų | 69 | 75.4 Ų | 75.4 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5 | 179.8 | -80.7 | 0 | 0 | 0 | 0 | 115.4 | R668 F719 | R668-S721 PolarHBondContact NH1-OG 2.87Å; F719-S721 PolarHBondContact O-N 2.95Å |
| 722 | Q | 45.3 | Very low | 67.3 | Low | 47 Ų | 47 | 67.9 Ų | 67.9 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.6 | -19.6 | -176.2 | -75.4 | -70.6 | -50.7 | 0 | 0 | 114.3 | F719 G720 E725 | F719-Q722 PolarHBondContact O-N 2.66Å; G720-Q722 PolarHBondContact O-N 3.37Å; Q722-E725 PolarHBondContact NE2-OE1 2.68Å |
| 723 | G | 39.4 | Very low | 67.1 | Low | 56 Ų | 56 | 62.8 Ų | 62.8 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -95.1 | -19 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F719 | F719-G723 WeakPolarHBondContact O-CA 3.43Å; F719-G723 PolarHBondContact O-N 3.1Å |
| 724 | K | 35 | Very low | 66.9 | Low | 135 Ų | 135 | 57.9 Ų | 57.9 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -120.2 | 21.9 | 171.3 | -72.2 | -172.8 | -174.3 | 171.7 | 0 | 111.9 | E675 S726 | E675-K724 VanDerWaalsContact CD-NZ 3.27Å; E675-K724 IonicContact OE1-NZ 3.85Å; E675-K724 PolarHBondContact OE1-NZ 2.93Å; E675-K724 IonicContact OE2-NZ 3.59Å; E675-K724 PolarHBondContact OE2-NZ 2.86Å; K724-S726 PolarHBondContact O-N 3.28Å |
| 725 | E | 46.9 | Very low | 66.7 | Low | 44 Ų | 44 | 53.1 Ų | 53.1 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -57.1 | 117.4 | 156.3 | -75.6 | 180 | -177.7 | 0 | 0 | 105 | R449 Q722 N727 | R449-E725 IonicContact NH2-OE2 3.63Å; R449-E725 PolarHBondContact NH2-OE2 3.42Å; Q722-E725 PolarHBondContact NE2-OE1 2.68Å; E725-N727 PolarHBondContact O-N 3.27Å |
| 726 | S | 52.4 | Low | 66.6 | Low | 71 Ų | 71 | 61.1 Ų | 61.1 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | trans | -52.2 | 145.1 | 169.5 | 62.3 | 0 | 0 | 0 | 0 | 107.1 | K724 Q728 S729 E730 | K724-S726 PolarHBondContact O-N 3.28Å; S726-Q728 CarbonylContact O-C 3.35Å; S726-Q728 PolarHBondContact O-N 3.45Å; S726-S729 PolarHBondContact O-N 3.4Å; S726-S729 PolarHBondContact OG-N 3.39Å; S726-E730 PolarHBondContact O-N 3.19Å | ||
| 727 | N | 64.5 | Low | 66.6 | Low | 73 Ų | 73 | 60.3 Ų | 60.3 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -47.5 | -29.3 | 176.2 | -75.4 | -19 | 0 | 0 | 0 | 111.9 | S334 R405 E725 A731 | S334-N727 PolarHBondContact OG-ND2 3.45Å; R405-N727 PolarHBondContact NH1-ND2 3.08Å; R405-N727 PolarHBondContact NH1-OD1 3.2Å; R405-N727 VanDerWaalsContact NH2-CB 3.34Å; R405-N727 VanDerWaalsContact NH2-CG 3.27Å; R405-N727 PolarHBondContact NH2-OD1 2.77Å; E725-N727 PolarHBondContact O-N 3.27Å; N727-A731 WeakPolarHBondContact O-CB 3.36Å; N727-A731 PolarHBondContact O-N 3.14Å |
| 728 | Q | 64.8 | Low | 66.7 | Low | 121 Ų | 121 | 60.5 Ų | 60.5 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.6 | -44.8 | 173.3 | -165.5 | 63.3 | 51.8 | 0 | 0 | 114.4 | S726 A731 D732 | S726-Q728 CarbonylContact O-C 3.35Å; S726-Q728 PolarHBondContact O-N 3.45Å; Q728-A731 PolarHBondContact O-N 3.21Å; Q728-D732 PolarHBondContact NE2-OD1 2.94Å; Q728-D732 PolarHBondContact O-N 2.84Å |
| 729 | S | 70.7 | Confident | 67.6 | Low | 56 Ų | 56 | 59.7 Ų | 59.7 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 112 | S726 A731 D732 Q733 | S726-S729 PolarHBondContact O-N 3.4Å; S726-S729 PolarHBondContact OG-N 3.39Å; S729-A731 VanDerWaalsContact C-N 3.33Å; S729-D732 PolarHBondContact O-N 3.5Å; S729-Q733 PolarHBondContact O-N 3.21Å; S729-Q733 VanDerWaalsContact O-N 3.11Å |
| 730 | E | 76.2 | Confident | 68.9 | Low | 9 Ų | 9 | 62.1 Ų | 62.1 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 175.2 | -177.6 | 167.7 | -141.7 | 0 | 0 | 110.5 | R449 M450 K453 S726 Q733 V734 | R449-E730 IonicContact NE-OE1 2.87Å; R449-E730 PolarHBondContact NE-OE1 2.92Å; R449-E730 VanDerWaalsContact NE-OE1 3.16Å; R449-E730 IonicContact NH2-OE1 3.88Å; M450-E730 WeakPolarHBondContact CE-OE2 3.14Å; K453-E730 IonicContact NZ-OE1 2.75Å; K453-E730 PolarHBondContact NZ-OE1 3.28Å; K453-E730 IonicContact NZ-OE2 2.92Å; S726-E730 PolarHBondContact O-N 3.19Å; E730-Q733 PolarHBondContact O-N 3.27Å; E730-V734 WeakPolarHBondContact O-CG2 3.44Å; E730-V734 PolarHBondContact O-N 2.8Å |
| 731 | A | 78.7 | Confident | 70.9 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y446 N727 Q728 S729 Q733 V734 D735 | Y446-A731 VanDerWaalsContact OH-CA 3.28Å; Y446-A731 WeakPolarHBondContact OH-CA 3.25Å; Y446-A731 WeakPolarHBondContact OH-CB 3.22Å; N727-A731 WeakPolarHBondContact O-CB 3.36Å; N727-A731 PolarHBondContact O-N 3.14Å; Q728-A731 PolarHBondContact O-N 3.21Å; S729-A731 VanDerWaalsContact C-N 3.33Å; A731-Q733 VanDerWaalsContact C-N 3.32Å; A731-Q733 PolarHBondContact O-N 3.02Å; A731-V734 PolarHBondContact O-N 2.89Å; A731-D735 WeakPolarHBondContact O-CB 3.34Å; A731-D735 PolarHBondContact O-N 3.3Å |
| 732 | D | 81.8 | Confident | 73 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 34% | 0.342 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 178.5 | -66.2 | -13.1 | 0 | 0 | 0 | 111.5 | Q728 S729 R736 | Q728-D732 PolarHBondContact NE2-OD1 2.94Å; Q728-D732 PolarHBondContact O-N 2.84Å; S729-D732 PolarHBondContact O-N 3.5Å; D732-R736 WeakPolarHBondContact O-CG 3.47Å; D732-R736 PolarHBondContact O-N 3.25Å |
| 733 | Q | 82.2 | Confident | 75.3 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 175.9 | -171.1 | -177.4 | 38 | 0 | 0 | 111.6 | S729 E730 A731 D735 R736 Q737 | S729-Q733 PolarHBondContact O-N 3.21Å; S729-Q733 VanDerWaalsContact O-N 3.11Å; E730-Q733 PolarHBondContact O-N 3.27Å; A731-Q733 VanDerWaalsContact C-N 3.32Å; A731-Q733 PolarHBondContact O-N 3.02Å; Q733-D735 VanDerWaalsContact C-N 3.35Å; Q733-R736 PolarHBondContact O-N 3.3Å; Q733-Q737 PolarHBondContact O-N 2.92Å |
| 734 | V | 85.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 176.3 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | L442 K445 Y446 E730 A731 R736 Q737 V738 | L442-V734 HydrophobicContact CD2-CG1 4.26Å; K445-V734 HydrophobicContact CB-CG1 4.03Å; K445-V734 HydrophobicContact CG-CB 4.5Å; K445-V734 HydrophobicContact CG-CG1 3.87Å; K445-V734 HydrophobicContact CG-CG2 4.26Å; Y446-V734 HydrophobicContact CD1-CG1 4.4Å; Y446-V734 HydrophobicContact CD1-CG2 4.08Å; Y446-V734 HydrophobicContact CD2-CG1 4.01Å; Y446-V734 HydrophobicContact CE1-CB 4.07Å; Y446-V734 HydrophobicContact CE1-CG1 4.08Å; Y446-V734 HydrophobicContact CE1-CG2 3.84Å; Y446-V734 HydrophobicContact CE2-CB 4.43Å; Y446-V734 HydrophobicContact CE2-CG1 3.65Å; Y446-V734 HydrophobicContact CG-CG1 4.36Å; E730-V734 WeakPolarHBondContact O-CG2 3.44Å; E730-V734 PolarHBondContact O-N 2.8Å; A731-V734 PolarHBondContact O-N 2.89Å; V734-R736 PolarHBondContact O-N 2.75Å; V734-Q737 PolarHBondContact O-N 3.24Å; V734-V738 HydrophobicContact CG1-CG2 4.24Å; V734-V738 WeakPolarHBondContact O-CB 3.48Å; V734-V738 WeakPolarHBondContact O-CG2 3.45Å; V734-V738 PolarHBondContact O-N 3.06Å |
| 735 | D | 85.5 | Confident | 80.6 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 177.9 | -90.4 | -4.8 | 0 | 0 | 0 | 111.6 | R398 A731 Q733 N739 | R398-D735 IonicContact CZ-OD1 3.48Å; R398-D735 IonicContact CZ-OD2 3.22Å; R398-D735 IonicContact NH1-OD1 3.07Å; R398-D735 PolarHBondContact NH1-OD1 3.05Å; R398-D735 VanDerWaalsContact NH1-OD1 3.07Å; R398-D735 IonicContact NH1-OD2 3.98Å; R398-D735 PolarHBondContact NH1-OD2 3.08Å; R398-D735 IonicContact NH2-OD1 3.21Å; R398-D735 IonicContact NH2-OD2 2.79Å; R398-D735 PolarHBondContact NH2-OD2 3.5Å; A731-D735 WeakPolarHBondContact O-CB 3.34Å; A731-D735 PolarHBondContact O-N 3.3Å; Q733-D735 VanDerWaalsContact C-N 3.35Å; D735-N739 VanDerWaalsContact O-CB 3.31Å; D735-N739 WeakPolarHBondContact O-CB 3.36Å; D735-N739 VanDerWaalsContact O-CG 3.24Å; D735-N739 PolarHBondContact O-N 2.96Å; D735-N739 PolarHBondContact O-ND2 2.96Å |
| 736 | R | 86.9 | Confident | 82.9 | Confident | 185 Ų | 185 | 60.6 Ų | 60.6 | 70% | 0.698 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.7 | -48.8 | 176.4 | -72.9 | 177.7 | -152.3 | -179.6 | 6.6 | 111.5 | D732 Q733 V734 N739 E740 | D732-R736 WeakPolarHBondContact O-CG 3.47Å; D732-R736 PolarHBondContact O-N 3.25Å; Q733-R736 PolarHBondContact O-N 3.3Å; V734-R736 PolarHBondContact O-N 2.75Å; R736-N739 PolarHBondContact O-N 2.84Å; R736-E740 PolarHBondContact O-N 3.35Å |
| 737 | Q | 86.7 | Confident | 84.9 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | -177.6 | -176.3 | 162.4 | 17.4 | 0 | 0 | 112.2 | K445 Q733 V734 E740 D741 | K445-Q737 HydrophobicContact CD-CG 4.36Å; Q733-Q737 PolarHBondContact O-N 2.92Å; V734-Q737 PolarHBondContact O-N 3.24Å; Q737-E740 PolarHBondContact O-N 3.45Å; Q737-D741 PolarHBondContact O-N 3.15Å |
| 738 | V | 88.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 178 | 170 | 0 | 0 | 0 | 0 | 110.9 | D441 L442 K445 V734 E740 D741 R742 | D441-V738 HydrophobicContact CB-CG1 4.49Å; D441-V738 WeakPolarHBondContact OD2-CG1 3.13Å; L442-V738 HydrophobicContact CD2-CB 3.87Å; L442-V738 HydrophobicContact CD2-CG1 3.76Å; L442-V738 HydrophobicContact CD2-CG2 3.96Å; L442-V738 HydrophobicContact CG-CG1 4.14Å; K445-V738 HydrophobicContact CB-CG2 3.67Å; K445-V738 HydrophobicContact CD-CG2 4.48Å; K445-V738 HydrophobicContact CG-CG2 3.88Å; V734-V738 HydrophobicContact CG1-CG2 4.24Å; V734-V738 WeakPolarHBondContact O-CB 3.48Å; V734-V738 WeakPolarHBondContact O-CG2 3.45Å; V734-V738 PolarHBondContact O-N 3.06Å; V738-E740 VanDerWaalsContact C-N 3.28Å; V738-E740 PolarHBondContact O-N 3.24Å; V738-D741 PolarHBondContact O-N 3.41Å; V738-R742 HydrophobicContact CG1-CG 4.25Å; V738-R742 WeakPolarHBondContact O-CB 3.26Å; V738-R742 WeakPolarHBondContact O-CG 3.25Å; V738-R742 PolarHBondContact O-N 3.24Å |
| 739 | N | 88.9 | Confident | 87.6 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -35.9 | 174.8 | -76.3 | -41.9 | 0 | 0 | 0 | 112.7 | D735 R736 R743 | D735-N739 VanDerWaalsContact O-CB 3.31Å; D735-N739 WeakPolarHBondContact O-CB 3.36Å; D735-N739 VanDerWaalsContact O-CG 3.24Å; D735-N739 PolarHBondContact O-N 2.96Å; D735-N739 PolarHBondContact O-ND2 2.96Å; R736-N739 PolarHBondContact O-N 2.84Å; N739-R743 WeakPolarHBondContact O-CB 3.48Å; N739-R743 PolarHBondContact O-N 2.87Å |
| 740 | E | 90.6 | Very high | 88.7 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.1 | -46.3 | 173.7 | 178.4 | 161 | -128.1 | 0 | 0 | 112.2 | R736 Q737 V738 R742 R743 Y744 | R736-E740 PolarHBondContact O-N 3.35Å; Q737-E740 PolarHBondContact O-N 3.45Å; V738-E740 VanDerWaalsContact C-N 3.28Å; V738-E740 PolarHBondContact O-N 3.24Å; E740-R742 VanDerWaalsContact C-N 3.3Å; E740-R742 PolarHBondContact O-N 3.41Å; E740-R743 WeakPolarHBondContact O-CB 2.99Å; E740-R743 PolarHBondContact O-N 3.45Å; E740-R743 VanDerWaalsContact O-N 3.14Å; E740-R743 IonicContact OE1-NH2 2.67Å; E740-R743 PolarHBondContact OE1-NH2 3.4Å; E740-Y744 HydrophobicContact CG-CD2 3.76Å; E740-Y744 HydrophobicContact CG-CE2 3.31Å; E740-Y744 WeakPolarHBondContact O-CD2 3.36Å; E740-Y744 PolarHBondContact O-N 3.43Å |
| 741 | D | 90.1 | Very high | 89.5 | Confident | 66 Ų | 66 | 51 Ų | 51 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -41 | 174.7 | -75.6 | -16.4 | 0 | 0 | 0 | 111.2 | Q737 V738 Y744 F745 | Q737-D741 PolarHBondContact O-N 3.15Å; V738-D741 PolarHBondContact O-N 3.41Å; D741-Y744 PolarHBondContact O-N 3.17Å; D741-F745 VanDerWaalsContact O-CB 3.3Å; D741-F745 WeakPolarHBondContact O-CB 3.42Å; D741-F745 PolarHBondContact O-N 3.42Å |
| 742 | R | 92.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.4 | -73.3 | 174.9 | 178.4 | -163.4 | -6.9 | 111.7 | D439 D441 V738 E740 F745 I746 F777 L783 | D439-R742 IonicContact OD1-CZ 2.66Å; D439-R742 IonicContact OD1-NH1 3.78Å; D439-R742 IonicContact OD1-NH2 3.7Å; D439-R742 PolarHBondContact OD1-NH2 3.44Å; D441-R742 IonicContact OD1-CZ 2.75Å; D441-R742 IonicContact OD1-NE 2.99Å; D441-R742 IonicContact OD1-NH2 3.98Å; D441-R742 PolarHBondContact OD1-NH2 2.92Å; D441-R742 WeakPolarHBondContact OD2-CG 3.09Å; D441-R742 IonicContact OD2-CZ 2.81Å; D441-R742 IonicContact OD2-NE 3.7Å; D441-R742 PolarHBondContact OD2-NE 3.21Å; D441-R742 IonicContact OD2-NH2 3.36Å; D441-R742 PolarHBondContact OD2-NH2 3.38Å; V738-R742 HydrophobicContact CG1-CG 4.25Å; V738-R742 WeakPolarHBondContact O-CB 3.26Å; V738-R742 WeakPolarHBondContact O-CG 3.25Å; V738-R742 PolarHBondContact O-N 3.24Å; E740-R742 VanDerWaalsContact C-N 3.3Å; E740-R742 PolarHBondContact O-N 3.41Å; R742-F745 PolarHBondContact O-N 2.83Å; R742-I746 WeakPolarHBondContact O-CB 3.47Å; R742-I746 WeakPolarHBondContact O-CD1 3.42Å; R742-I746 VanDerWaalsContact O-CG1 3.23Å; R742-I746 WeakPolarHBondContact O-CG1 3.5Å; R742-I746 PolarHBondContact O-N 3.43Å; R742-F777 HydrophobicContact CB-CE1 4.5Å; R742-F777 HydrophobicContact CB-CE2 3.96Å; R742-F777 HydrophobicContact CB-CZ 3.85Å; R742-F777 HydrophobicContact CG-CD1 4.2Å; R742-F777 HydrophobicContact CG-CD2 3.91Å; R742-F777 HydrophobicContact CG-CE1 3.94Å; R742-F777 HydrophobicContact CG-CE2 3.59Å; R742-F777 HydrophobicContact CG-CG 4.21Å; R742-F777 HydrophobicContact CG-CZ 3.63Å; R742-L783 HydrophobicContact CB-CD2 4.13Å |
| 743 | R | 93.4 | Very high | 90.8 | Very high | 96 Ų | 96 | 55 Ų | 55 | 36% | 0.362 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58 | -51.5 | 176.1 | -179.9 | -175.5 | 67.2 | -169.9 | -4.8 | 110.5 | N739 E740 F745 I746 Q747 | N739-R743 WeakPolarHBondContact O-CB 3.48Å; N739-R743 PolarHBondContact O-N 2.87Å; E740-R743 WeakPolarHBondContact O-CB 2.99Å; E740-R743 PolarHBondContact O-N 3.45Å; E740-R743 VanDerWaalsContact O-N 3.14Å; E740-R743 IonicContact OE1-NH2 2.67Å; E740-R743 PolarHBondContact OE1-NH2 3.4Å; R743-F745 PolarHBondContact O-N 2.79Å; R743-I746 PolarHBondContact O-N 3.49Å; R743-Q747 WeakPolarHBondContact O-CG 3.4Å; R743-Q747 PolarHBondContact O-N 2.85Å |
| 744 | Y | 93 | Very high | 91.3 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 48% | 0.478 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 179.2 | -69.9 | -54.6 | 0 | 0 | 0 | 112.7 | E740 D741 Q747 A748 | E740-Y744 HydrophobicContact CG-CD2 3.76Å; E740-Y744 HydrophobicContact CG-CE2 3.31Å; E740-Y744 WeakPolarHBondContact O-CD2 3.36Å; E740-Y744 PolarHBondContact O-N 3.43Å; D741-Y744 PolarHBondContact O-N 3.17Å; Y744-Q747 PolarHBondContact O-N 3.43Å; Y744-A748 WeakPolarHBondContact O-CB 3.33Å; Y744-A748 PolarHBondContact O-N 2.79Å |
| 745 | F | 93 | Very high | 91.5 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 175.4 | 177.4 | -90.7 | 0 | 0 | 0 | 111.7 | D741 R742 R743 A748 A749 A773 F777 | D741-F745 VanDerWaalsContact O-CB 3.3Å; D741-F745 WeakPolarHBondContact O-CB 3.42Å; D741-F745 PolarHBondContact O-N 3.42Å; R742-F745 PolarHBondContact O-N 2.83Å; R743-F745 PolarHBondContact O-N 2.79Å; F745-A748 PolarHBondContact O-N 3.47Å; F745-A749 WeakPolarHBondContact O-CB 3.49Å; F745-A749 PolarHBondContact O-N 2.99Å; F745-A773 HydrophobicContact CE1-CB 3.94Å; F745-F777 AromaticContact CD1-CE1 3.71Å; F745-F777 HydrophobicContact CD1-CE1 3.71Å; F745-F777 AromaticContact CD1-CZ 3.91Å; F745-F777 HydrophobicContact CD1-CZ 3.91Å; F745-F777 HydrophobicContact CE1-CE1 4.13Å; F745-F777 HydrophobicContact CE1-CZ 4.49Å; F745-F777 HydrophobicContact CG-CE1 4.26Å |
| 746 | I | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 179.5 | -69.2 | 165.4 | 0 | 0 | 0 | 110.3 | R742 R743 A748 A749 I750 F777 P779 L783 I784 C787 | R742-I746 WeakPolarHBondContact O-CB 3.47Å; R742-I746 WeakPolarHBondContact O-CD1 3.42Å; R742-I746 VanDerWaalsContact O-CG1 3.23Å; R742-I746 WeakPolarHBondContact O-CG1 3.5Å; R742-I746 PolarHBondContact O-N 3.43Å; R743-I746 PolarHBondContact O-N 3.49Å; I746-A748 PolarHBondContact O-N 2.95Å; I746-A749 PolarHBondContact O-N 2.87Å; I746-I750 HydrophobicContact CG2-CD1 3.63Å; I746-I750 HydrophobicContact CG2-CG1 4.25Å; I746-I750 VanDerWaalsContact O-CG1 3.24Å; I746-I750 WeakPolarHBondContact O-CG1 3.25Å; I746-I750 PolarHBondContact O-N 3.34Å; I746-F777 HydrophobicContact CD1-CE2 4.28Å; I746-F777 HydrophobicContact CD1-CZ 4.25Å; I746-F777 HydrophobicContact CG1-CZ 4.17Å; I746-P779 HydrophobicContact CD1-CB 3.92Å; I746-P779 HydrophobicContact CG1-CB 4.49Å; I746-L783 HydrophobicContact CD1-CD2 3.6Å; I746-L783 HydrophobicContact CD1-CG 3.78Å; I746-I784 HydrophobicContact CD1-CG1 4.38Å; I746-I784 HydrophobicContact CG2-CG1 4.43Å; I746-C787 HydrophobicContact CG2-CB 3.71Å |
| 747 | Q | 93.7 | Very high | 92.1 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 21% | 0.21 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 176.4 | -74.5 | 175.9 | -32 | 0 | 0 | 111.8 | R743 Y744 A749 I750 V751 C787 L791 | R743-Q747 WeakPolarHBondContact O-CG 3.4Å; R743-Q747 PolarHBondContact O-N 2.85Å; Y744-Q747 PolarHBondContact O-N 3.43Å; Q747-A749 VanDerWaalsContact C-N 3.34Å; Q747-A749 PolarHBondContact O-N 3.02Å; Q747-I750 PolarHBondContact O-N 3.25Å; Q747-V751 WeakPolarHBondContact O-CG2 3.49Å; Q747-V751 PolarHBondContact O-N 3.3Å; Q747-C787 HydrophobicContact CG-CB 3.97Å; Q747-L791 HydrophobicContact CB-CD1 4.31Å; Q747-L791 HydrophobicContact CB-CD2 4.46Å; Q747-L791 HydrophobicContact CG-CD1 4.31Å; Q747-L791 HydrophobicContact CG-CD2 4.46Å; Q747-L791 HydrophobicContact CG-CG 4.26Å |
| 748 | A | 92.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y744 F745 I746 R752 | Y744-A748 WeakPolarHBondContact O-CB 3.33Å; Y744-A748 PolarHBondContact O-N 2.79Å; F745-A748 PolarHBondContact O-N 3.47Å; I746-A748 PolarHBondContact O-N 2.95Å; A748-R752 VanDerWaalsContact O-CB 3.31Å; A748-R752 WeakPolarHBondContact O-CB 3.4Å; A748-R752 PolarHBondContact O-N 2.85Å |
| 749 | A | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F745 I746 Q747 R752 I753 | F745-A749 WeakPolarHBondContact O-CB 3.49Å; F745-A749 PolarHBondContact O-N 2.99Å; I746-A749 PolarHBondContact O-N 2.87Å; Q747-A749 VanDerWaalsContact C-N 3.34Å; Q747-A749 PolarHBondContact O-N 3.02Å; A749-R752 PolarHBondContact O-N 2.87Å; A749-I753 WeakPolarHBondContact O-CD1 3.42Å; A749-I753 VanDerWaalsContact O-CG1 3.24Å; A749-I753 WeakPolarHBondContact O-CG1 3.34Å; A749-I753 PolarHBondContact O-N 2.95Å |
| 750 | I | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.3 | -54 | 175.6 | -69.7 | 163.1 | 0 | 0 | 0 | 109.9 | I746 Q747 R752 I753 L754 I769 C787 I788 L791 L797 | I746-I750 HydrophobicContact CG2-CD1 3.63Å; I746-I750 HydrophobicContact CG2-CG1 4.25Å; I746-I750 VanDerWaalsContact O-CG1 3.24Å; I746-I750 WeakPolarHBondContact O-CG1 3.25Å; I746-I750 PolarHBondContact O-N 3.34Å; Q747-I750 PolarHBondContact O-N 3.25Å; I750-R752 VanDerWaalsContact C-N 3.31Å; I750-R752 PolarHBondContact O-N 2.92Å; I750-I753 PolarHBondContact O-N 3.33Å; I750-L754 HydrophobicContact CG2-CD1 3.65Å; I750-L754 WeakPolarHBondContact O-CB 3.13Å; I750-L754 PolarHBondContact O-N 2.68Å; I750-I769 HydrophobicContact CD1-CD1 4.23Å; I750-I769 HydrophobicContact CG1-CD1 3.52Å; I750-I769 HydrophobicContact CG1-CG1 4.36Å; I750-C787 HydrophobicContact CD1-CB 3.82Å; I750-I788 HydrophobicContact CD1-CG1 3.82Å; I750-L791 HydrophobicContact CB-CD1 3.78Å; I750-L791 HydrophobicContact CD1-CD1 4.04Å; I750-L791 HydrophobicContact CG2-CD1 3.55Å; I750-L797 HydrophobicContact CG2-CD1 3.7Å |
| 751 | V | 93.5 | Very high | 92.8 | Very high | 32 Ų | 32 | 66.7 Ų | 66.7 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 179.6 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | Q747 L754 K755 L791 Y809 | Q747-V751 WeakPolarHBondContact O-CG2 3.49Å; Q747-V751 PolarHBondContact O-N 3.3Å; V751-L754 PolarHBondContact O-N 3.29Å; V751-K755 WeakPolarHBondContact O-CB 3.35Å; V751-K755 PolarHBondContact O-N 3.15Å; V751-L791 HydrophobicContact CG2-CD1 4.1Å; V751-L791 HydrophobicContact CG2-CD2 3.99Å; V751-Y809 HydrophobicContact CG1-CE2 4.02Å |
| 752 | R | 93.8 | Very high | 93 | Very high | 152 Ų | 152 | 65.2 Ų | 65.2 | 57% | 0.574 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 177.9 | -169 | -171.4 | -57.2 | 146.5 | 1.1 | 112.4 | A748 A749 I750 A756 | A748-R752 VanDerWaalsContact O-CB 3.31Å; A748-R752 WeakPolarHBondContact O-CB 3.4Å; A748-R752 PolarHBondContact O-N 2.85Å; A749-R752 PolarHBondContact O-N 2.87Å; I750-R752 VanDerWaalsContact C-N 3.31Å; I750-R752 PolarHBondContact O-N 2.92Å; R752-A756 WeakPolarHBondContact O-CB 3.34Å; R752-A756 PolarHBondContact O-N 3.08Å |
| 753 | I | 93.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 178.4 | -68.2 | 162.1 | 0 | 0 | 0 | 110.1 | A749 I750 A756 R757 I760 L765 T768 I769 | A749-I753 WeakPolarHBondContact O-CD1 3.42Å; A749-I753 VanDerWaalsContact O-CG1 3.24Å; A749-I753 WeakPolarHBondContact O-CG1 3.34Å; A749-I753 PolarHBondContact O-N 2.95Å; I750-I753 PolarHBondContact O-N 3.33Å; I753-A756 PolarHBondContact O-N 3.33Å; I753-R757 PolarHBondContact O-N 3.07Å; I753-I760 HydrophobicContact CG2-CD1 3.82Å; I753-L765 HydrophobicContact CB-CD1 4.39Å; I753-L765 HydrophobicContact CD1-CD1 4.19Å; I753-L765 HydrophobicContact CG2-CD1 4Å; I753-T768 HydrophobicContact CD1-CG2 3.66Å; I753-T768 HydrophobicContact CG1-CG2 4.05Å; I753-I769 HydrophobicContact CD1-CG1 3.89Å |
| 754 | L | 91.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.4 | -36 | -176.5 | -88.8 | 157.3 | 0 | 0 | 0 | 112.4 | I750 V751 A756 R758 I760 L765 L797 Y809 | I750-L754 HydrophobicContact CG2-CD1 3.65Å; I750-L754 WeakPolarHBondContact O-CB 3.13Å; I750-L754 PolarHBondContact O-N 2.68Å; V751-L754 PolarHBondContact O-N 3.29Å; L754-A756 VanDerWaalsContact C-N 3.26Å; L754-A756 PolarHBondContact O-N 3.25Å; L754-R758 WeakPolarHBondContact O-CA 3.48Å; L754-R758 PolarHBondContact O-N 2.67Å; L754-I760 HydrophobicContact CD1-CG2 4.41Å; L754-I760 HydrophobicContact CD2-CG2 3.6Å; L754-I760 HydrophobicContact CG-CG2 3.97Å; L754-L765 HydrophobicContact CD1-CD2 4.29Å; L754-L797 HydrophobicContact CB-CD2 4.02Å; L754-L797 HydrophobicContact CD1-CD1 3.8Å; L754-L797 HydrophobicContact CD1-CD2 3.26Å; L754-L797 HydrophobicContact CD1-CG 4.17Å; L754-L797 HydrophobicContact CD2-CD2 4.47Å; L754-L797 HydrophobicContact CG-CD2 4.07Å; L754-Y809 HydrophobicContact CB-CD2 4.13Å; L754-Y809 HydrophobicContact CB-CG 4.42Å |
| 755 | K | 91.9 | Very high | 93.1 | Very high | 144 Ų | 144 | 62.2 Ų | 62.2 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.3 | -33.2 | 170.8 | -171.3 | 168.2 | -175.5 | 166.6 | 0 | 112.7 | V751 Y809 | V751-K755 WeakPolarHBondContact O-CB 3.35Å; V751-K755 PolarHBondContact O-N 3.15Å; K755-Y809 HydrophobicContact CB-CD1 4.46Å; K755-Y809 HydrophobicContact CB-CE1 4.32Å; K755-Y809 HydrophobicContact CG-CE1 4.22Å |
| 756 | A | 92.6 | Very high | 93.1 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 69% | 0.686 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -81 | -44.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R752 I753 L754 | R752-A756 WeakPolarHBondContact O-CB 3.34Å; R752-A756 PolarHBondContact O-N 3.08Å; I753-A756 PolarHBondContact O-N 3.33Å; L754-A756 VanDerWaalsContact C-N 3.26Å; L754-A756 PolarHBondContact O-N 3.25Å |
| 757 | R | 91.4 | Very high | 93.1 | Very high | 128 Ų | 128 | 67.4 Ų | 67.4 | 48% | 0.483 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -90.5 | -15.6 | -175.9 | -67.4 | -174.1 | -179.7 | 179.6 | 5.6 | 114.1 | I753 Q759 I760 T768 | I753-R757 PolarHBondContact O-N 3.07Å; R757-Q759 PolarHBondContact O-N 2.79Å; R757-I760 VanDerWaalsContact NH1-CD1 3.26Å; R757-T768 PolarHBondContact NH1-OG1 3.02Å |
| 758 | R | 89.6 | Confident | 93.1 | Very high | 199 Ų | 199 | 66 Ų | 66 | 75% | 0.751 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 62.8 | -44.4 | -170.6 | -58.3 | -175.2 | 174.6 | -159.8 | -2 | 114.7 | L754 S808 Y809 | L754-R758 WeakPolarHBondContact O-CA 3.48Å; L754-R758 PolarHBondContact O-N 2.67Å; R758-S808 WeakPolarHBondContact O-CA 3.35Å; R758-Y809 PolarHBondContact O-N 3.3Å |
| 759 | Q | 91.8 | Very high | 93.2 | Very high | 100 Ų | 100 | 63.7 Ų | 63.7 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.1 | 176.7 | -62.4 | -175.8 | -29.4 | 0 | 0 | 110.9 | R757 Q806 Y807 S808 | R757-Q759 PolarHBondContact O-N 2.79Å; Q759-Q806 VanDerWaalsContact OE1-NE2 3.15Å; Q759-Y807 VanDerWaalsContact CA-O 3.24Å; Q759-Y807 WeakPolarHBondContact CA-O 3.13Å; Q759-S808 PolarHBondContact NE2-OG 2.91Å |
| 760 | I | 94.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 145.3 | 178 | -166.7 | 174.8 | 0 | 0 | 0 | 110.9 | I753 L754 R757 Q764 L765 Y807 | I753-I760 HydrophobicContact CG2-CD1 3.82Å; L754-I760 HydrophobicContact CD1-CG2 4.41Å; L754-I760 HydrophobicContact CD2-CG2 3.6Å; L754-I760 HydrophobicContact CG-CG2 3.97Å; R757-I760 VanDerWaalsContact NH1-CD1 3.26Å; I760-Q764 HydrophobicContact CD1-CB 4.21Å; I760-Q764 HydrophobicContact CG1-CB 3.95Å; I760-L765 HydrophobicContact CD1-CB 3.93Å; I760-L765 HydrophobicContact CD1-CD1 4.2Å; I760-L765 HydrophobicContact CG1-CB 4.3Å; I760-L765 HydrophobicContact CG2-CB 3.97Å; I760-L765 HydrophobicContact CG2-CD1 4.15Å; I760-L765 HydrophobicContact CG2-CD2 4.26Å; I760-L765 HydrophobicContact CG2-CG 4.35Å; I760-Y807 PolarHBondContact N-O 2.93Å; I760-Y807 PolarHBondContact O-N 2.96Å |
| 761 | K | 94.8 | Very high | 92.9 | Very high | 107 Ų | 107 | 73.1 Ų | 73.1 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 150.4 | 172.4 | -66.4 | -167.1 | 172.6 | -160.7 | 0 | 112 | A763 Q764 L765 D803 D805 | K761-A763 PolarHBondContact O-N 2.91Å; K761-Q764 PolarHBondContact O-N 3.35Å; K761-L765 WeakPolarHBondContact O-CB 3.24Å; K761-L765 PolarHBondContact O-N 3.16Å; K761-D803 IonicContact NZ-OD2 3.09Å; K761-D805 CarbonylContact C-O 3.59Å; K761-D805 VanDerWaalsContact CA-O 3.26Å; K761-D805 WeakPolarHBondContact CA-O 3.44Å |
| 762 | H | 93.4 | Very high | 92.8 | Very high | 34 Ų | 34 | 75.1 Ų | 75.1 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.5 | -49.9 | -176.8 | -177.6 | 84.6 | 0 | 0 | 0 | 112.9 | Q764 L765 I766 D805 Y807 | H762-Q764 PolarHBondContact O-N 3.4Å; H762-L765 WeakPolarHBondContact O-CB 3.45Å; H762-L765 PolarHBondContact O-N 2.88Å; H762-I766 WeakPolarHBondContact NE2-CD1 3.38Å; H762-I766 WeakPolarHBondContact O-CG1 3.41Å; H762-I766 PolarHBondContact O-N 2.98Å; H762-D805 HydrophobicContact CB-CB 4.49Å; H762-D805 PolarHBondContact N-O 2.95Å; H762-Y807 HydrophobicContact CB-CE2 3.78Å; H762-Y807 AromaticContact CG-CE2 3.99Å; H762-Y807 AromaticContact ND1-CE2 3.39Å; H762-Y807 WeakPolarHBondContact ND1-CE2 3.48Å; H762-Y807 AromaticContact ND1-CZ 3.53Å; H762-Y807 PolarHBondContact ND1-OH 2.65Å |
| 763 | A | 93.7 | Very high | 92.5 | Very high | 73 Ų | 73 | 67.9 Ų | 67.9 | 60% | 0.603 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.8 | -45.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K761 L765 I766 E767 | K761-A763 PolarHBondContact O-N 2.91Å; A763-L765 VanDerWaalsContact C-N 3.34Å; A763-L765 PolarHBondContact O-N 3.04Å; A763-I766 PolarHBondContact O-N 3.33Å; A763-E767 WeakPolarHBondContact O-CB 3.34Å; A763-E767 PolarHBondContact O-N 3.42Å |
| 764 | Q | 93.9 | Very high | 92.1 | Very high | 100 Ų | 100 | 70.8 Ų | 70.8 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 177.9 | -67.6 | 179.7 | -12.3 | 0 | 0 | 112.2 | I760 K761 H762 T768 | I760-Q764 HydrophobicContact CD1-CB 4.21Å; I760-Q764 HydrophobicContact CG1-CB 3.95Å; K761-Q764 PolarHBondContact O-N 3.35Å; H762-Q764 PolarHBondContact O-N 3.4Å; Q764-T768 WeakPolarHBondContact O-CB 3.39Å; Q764-T768 PolarHBondContact O-N 3.19Å; Q764-T768 PolarHBondContact O-OG1 3.29Å |
| 765 | L | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.8 | -48.4 | 175.5 | 179.9 | 58.8 | 0 | 0 | 0 | 110.9 | I753 L754 I760 K761 H762 A763 E767 T768 I769 I788 Y807 | I753-L765 HydrophobicContact CB-CD1 4.39Å; I753-L765 HydrophobicContact CD1-CD1 4.19Å; I753-L765 HydrophobicContact CG2-CD1 4Å; L754-L765 HydrophobicContact CD1-CD2 4.29Å; I760-L765 HydrophobicContact CD1-CB 3.93Å; I760-L765 HydrophobicContact CD1-CD1 4.2Å; I760-L765 HydrophobicContact CG1-CB 4.3Å; I760-L765 HydrophobicContact CG2-CB 3.97Å; I760-L765 HydrophobicContact CG2-CD1 4.15Å; I760-L765 HydrophobicContact CG2-CD2 4.26Å; I760-L765 HydrophobicContact CG2-CG 4.35Å; K761-L765 WeakPolarHBondContact O-CB 3.24Å; K761-L765 PolarHBondContact O-N 3.16Å; H762-L765 WeakPolarHBondContact O-CB 3.45Å; H762-L765 PolarHBondContact O-N 2.88Å; A763-L765 VanDerWaalsContact C-N 3.34Å; A763-L765 PolarHBondContact O-N 3.04Å; L765-E767 PolarHBondContact O-N 3.14Å; L765-T768 PolarHBondContact O-N 3.35Å; L765-I769 HydrophobicContact CD1-CD1 3.81Å; L765-I769 HydrophobicContact CD1-CG1 4.18Å; L765-I769 HydrophobicContact CG-CD1 3.77Å; L765-I769 WeakPolarHBondContact O-CB 3.3Å; L765-I769 WeakPolarHBondContact O-CD1 3.42Å; L765-I769 WeakPolarHBondContact O-CG1 3.38Å; L765-I769 PolarHBondContact O-N 3.28Å; L765-I788 HydrophobicContact CD2-CD1 3.86Å; L765-I788 HydrophobicContact CD2-CG1 4.27Å; L765-Y807 HydrophobicContact CD2-CD2 3.72Å; L765-Y807 HydrophobicContact CD2-CE2 4.07Å |
| 766 | I | 93.7 | Very high | 91.3 | Very high | 20 Ų | 20 | 73.6 Ų | 73.6 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 176.7 | -71.4 | 179 | 0 | 0 | 0 | 110.7 | H762 A763 T768 I769 L770 I781 I784 | H762-I766 WeakPolarHBondContact NE2-CD1 3.38Å; H762-I766 WeakPolarHBondContact O-CG1 3.41Å; H762-I766 PolarHBondContact O-N 2.98Å; A763-I766 PolarHBondContact O-N 3.33Å; I766-T768 PolarHBondContact O-N 3.13Å; I766-I769 PolarHBondContact O-N 2.98Å; I766-L770 HydrophobicContact CG2-CD1 3.7Å; I766-L770 HydrophobicContact CG2-CG 4.29Å; I766-L770 WeakPolarHBondContact O-CB 3.31Å; I766-L770 WeakPolarHBondContact O-CG 3.38Å; I766-L770 PolarHBondContact O-N 3.05Å; I766-I781 HydrophobicContact CD1-CG2 4.2Å; I766-I784 HydrophobicContact CG1-CG2 4.31Å |
| 767 | E | 94 | Very high | 91.1 | Very high | 136 Ų | 136 | 70 Ų | 70 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.4 | -45.4 | 179 | -173.1 | 178.8 | -171.6 | 0 | 0 | 111.7 | A763 L765 I769 L770 Q771 | A763-E767 WeakPolarHBondContact O-CB 3.34Å; A763-E767 PolarHBondContact O-N 3.42Å; L765-E767 PolarHBondContact O-N 3.14Å; E767-I769 VanDerWaalsContact C-N 3.34Å; E767-I769 PolarHBondContact O-N 3.19Å; E767-L770 PolarHBondContact O-N 3.36Å; E767-Q771 WeakPolarHBondContact O-CB 3.37Å; E767-Q771 PolarHBondContact O-N 3.02Å |
| 768 | T | 93.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 69.8 Ų | 69.8 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 178.3 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | I753 R757 Q764 L765 I766 Q771 Q772 | I753-T768 HydrophobicContact CD1-CG2 3.66Å; I753-T768 HydrophobicContact CG1-CG2 4.05Å; R757-T768 PolarHBondContact NH1-OG1 3.02Å; Q764-T768 WeakPolarHBondContact O-CB 3.39Å; Q764-T768 PolarHBondContact O-N 3.19Å; Q764-T768 PolarHBondContact O-OG1 3.29Å; L765-T768 PolarHBondContact O-N 3.35Å; I766-T768 PolarHBondContact O-N 3.13Å; T768-Q771 PolarHBondContact O-N 3.02Å; T768-Q772 WeakPolarHBondContact O-CG 3.48Å; T768-Q772 PolarHBondContact O-N 2.79Å |
| 769 | I | 93.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 176.7 | -68.6 | 163.6 | 0 | 0 | 0 | 110.9 | I750 I753 L765 I766 E767 Q771 Q772 A773 P779 I784 | I750-I769 HydrophobicContact CD1-CD1 4.23Å; I750-I769 HydrophobicContact CG1-CD1 3.52Å; I750-I769 HydrophobicContact CG1-CG1 4.36Å; I753-I769 HydrophobicContact CD1-CG1 3.89Å; L765-I769 HydrophobicContact CD1-CD1 3.81Å; L765-I769 HydrophobicContact CD1-CG1 4.18Å; L765-I769 HydrophobicContact CG-CD1 3.77Å; L765-I769 WeakPolarHBondContact O-CB 3.3Å; L765-I769 WeakPolarHBondContact O-CD1 3.42Å; L765-I769 WeakPolarHBondContact O-CG1 3.38Å; L765-I769 PolarHBondContact O-N 3.28Å; I766-I769 PolarHBondContact O-N 2.98Å; E767-I769 VanDerWaalsContact C-N 3.34Å; E767-I769 PolarHBondContact O-N 3.19Å; I769-Q771 PolarHBondContact O-N 3.27Å; I769-Q772 PolarHBondContact O-N 3.02Å; I769-A773 VanDerWaalsContact O-CB 3.24Å; I769-A773 WeakPolarHBondContact O-CB 3.34Å; I769-A773 PolarHBondContact O-N 3.23Å; I769-P779 HydrophobicContact CG2-CG 4.42Å; I769-I784 HydrophobicContact CB-CD1 4.42Å; I769-I784 HydrophobicContact CD1-CG2 3.66Å; I769-I784 HydrophobicContact CG2-CD1 3.84Å; I769-I784 HydrophobicContact CG2-CG1 4.2Å |
| 770 | L | 91.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 58.6 Ų | 58.6 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 176.2 | -74.1 | 167.1 | 0 | 0 | 0 | 110.5 | I766 E767 S774 P779 | I766-L770 HydrophobicContact CG2-CD1 3.7Å; I766-L770 HydrophobicContact CG2-CG 4.29Å; I766-L770 WeakPolarHBondContact O-CB 3.31Å; I766-L770 WeakPolarHBondContact O-CG 3.38Å; I766-L770 PolarHBondContact O-N 3.05Å; E767-L770 PolarHBondContact O-N 3.36Å; L770-S774 WeakPolarHBondContact O-CB 3.37Å; L770-S774 PolarHBondContact O-N 2.9Å; L770-P779 HydrophobicContact CD2-CG 3.71Å |
| 771 | Q | 91 | Very high | 90 | Very high | 141 Ų | 141 | 62.3 Ų | 62.3 | 66% | 0.659 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.8 | -48 | 176 | -166.1 | -179.1 | 22.4 | 0 | 0 | 112.2 | E767 T768 I769 A773 S774 | E767-Q771 WeakPolarHBondContact O-CB 3.37Å; E767-Q771 PolarHBondContact O-N 3.02Å; T768-Q771 PolarHBondContact O-N 3.02Å; I769-Q771 PolarHBondContact O-N 3.27Å; Q771-A773 VanDerWaalsContact C-N 3.34Å; Q771-A773 PolarHBondContact O-N 2.87Å; Q771-S774 PolarHBondContact O-OG 3.12Å |
| 772 | Q | 90.2 | Very high | 89.9 | Confident | 75 Ų | 75 | 61 Ų | 61 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.4 | -31.4 | 179.3 | -72.9 | -172.9 | 19.6 | 0 | 0 | 113.5 | T768 I769 | T768-Q772 WeakPolarHBondContact O-CG 3.48Å; T768-Q772 PolarHBondContact O-N 2.79Å; I769-Q772 PolarHBondContact O-N 3.02Å |
| 773 | A | 89.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -85.1 | -24.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F745 I769 Q771 N775 R776 F777 P779 | F745-A773 HydrophobicContact CE1-CB 3.94Å; I769-A773 VanDerWaalsContact O-CB 3.24Å; I769-A773 WeakPolarHBondContact O-CB 3.34Å; I769-A773 PolarHBondContact O-N 3.23Å; Q771-A773 VanDerWaalsContact C-N 3.34Å; Q771-A773 PolarHBondContact O-N 2.87Å; A773-N775 PolarHBondContact O-N 2.91Å; A773-R776 PolarHBondContact O-N 2.85Å; A773-F777 CarbonylContact C-O 3.06Å; A773-F777 PolarHBondContact O-N 2.94Å; A773-P779 HydrophobicContact CB-CG 3.73Å |
| 774 | S | 84.4 | Confident | 89.7 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 47% | 0.469 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -34.9 | -172.3 | 62.2 | 0 | 0 | 0 | 0 | 115.3 | L770 Q771 R776 | L770-S774 WeakPolarHBondContact O-CB 3.37Å; L770-S774 PolarHBondContact O-N 2.9Å; Q771-S774 PolarHBondContact O-OG 3.12Å; S774-R776 VanDerWaalsContact C-N 3.28Å; S774-R776 PolarHBondContact O-N 2.81Å |
| 775 | N | 82.5 | Confident | 89.6 | Confident | 133 Ų | 133 | 57.4 Ų | 57.4 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.4 | 178.9 | -71.9 | -22.6 | 0 | 0 | 0 | 114.2 | A773 | A773-N775 PolarHBondContact O-N 2.91Š|
| 776 | R | 84.9 | Confident | 89.6 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 27% | 0.268 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -48.6 | -175.4 | -67.8 | 176.4 | 172.7 | -103.6 | 2.7 | 112.5 | K440 D441 E480 A773 S774 | K440-R776 WeakPolarHBondContact CB-O 3.45Å; K440-R776 PolarHBondContact N-O 2.86Å; D441-R776 PolarHBondContact N-O 3.27Å; E480-R776 IonicContact OE2-CZ 3.84Å; E480-R776 IonicContact OE2-NH2 3.07Å; E480-R776 PolarHBondContact OE2-NH2 3.37Å; A773-R776 PolarHBondContact O-N 2.85Å; S774-R776 VanDerWaalsContact C-N 3.28Å; S774-R776 PolarHBondContact O-N 2.81Å |
| 777 | F | 87.6 | Confident | 89.6 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | trans | -164.8 | 165.5 | 179.9 | 65.8 | -80.7 | 0 | 0 | 0 | 110.4 | R742 F745 I746 A773 P779 | R742-F777 HydrophobicContact CB-CE1 4.5Å; R742-F777 HydrophobicContact CB-CE2 3.96Å; R742-F777 HydrophobicContact CB-CZ 3.85Å; R742-F777 HydrophobicContact CG-CD1 4.2Å; R742-F777 HydrophobicContact CG-CD2 3.91Å; R742-F777 HydrophobicContact CG-CE1 3.94Å; R742-F777 HydrophobicContact CG-CE2 3.59Å; R742-F777 HydrophobicContact CG-CG 4.21Å; R742-F777 HydrophobicContact CG-CZ 3.63Å; F745-F777 AromaticContact CD1-CE1 3.71Å; F745-F777 HydrophobicContact CD1-CE1 3.71Å; F745-F777 AromaticContact CD1-CZ 3.91Å; F745-F777 HydrophobicContact CD1-CZ 3.91Å; F745-F777 HydrophobicContact CE1-CE1 4.13Å; F745-F777 HydrophobicContact CE1-CZ 4.49Å; F745-F777 HydrophobicContact CG-CE1 4.26Å; I746-F777 HydrophobicContact CD1-CE2 4.28Å; I746-F777 HydrophobicContact CD1-CZ 4.25Å; I746-F777 HydrophobicContact CG1-CZ 4.17Å; A773-F777 CarbonylContact C-O 3.06Å; A773-F777 PolarHBondContact O-N 2.94Å; F777-P779 HydrophobicContact CD2-CB 4.23Å; F777-P779 HydrophobicContact CE2-CB 3.61Å; F777-P779 HydrophobicContact CE2-CG 4.42Å; F777-P779 HydrophobicContact CZ-CB 4.35Å; F777-P779 VanDerWaalsContact O-CD 3.22Å; F777-P779 WeakPolarHBondContact O-CD 3.14Å | ||
| 778 | Q | 84.5 | Confident | 89.6 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | trans | -93.4 | 104.5 | 171.8 | -165.7 | 177.5 | 18 | 0 | 0 | 110.2 | ||||
| 779 | P | 85.1 | Confident | 89.5 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | trans | -69 | 127.4 | -177.8 | 26.6 | -33.3 | 0 | 0 | 0 | 110.3 | I746 I769 L770 A773 F777 I781 I784 | I746-P779 HydrophobicContact CD1-CB 3.92Å; I746-P779 HydrophobicContact CG1-CB 4.49Å; I769-P779 HydrophobicContact CG2-CG 4.42Å; L770-P779 HydrophobicContact CD2-CG 3.71Å; A773-P779 HydrophobicContact CB-CG 3.73Å; F777-P779 HydrophobicContact CD2-CB 4.23Å; F777-P779 HydrophobicContact CE2-CB 3.61Å; F777-P779 HydrophobicContact CE2-CG 4.42Å; F777-P779 HydrophobicContact CZ-CB 4.35Å; F777-P779 VanDerWaalsContact O-CD 3.22Å; F777-P779 WeakPolarHBondContact O-CD 3.14Å; P779-I781 PolarHBondContact O-N 3.41Å; P779-I784 HydrophobicContact CB-CD1 4.08Å; P779-I784 HydrophobicContact CB-CG1 4.12Å; P779-I784 HydrophobicContact CG-CD1 4.07Å | ||
| 780 | P | 86.4 | Confident | 89.4 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | trans | -68.4 | 131.9 | 173.8 | 26.2 | -30 | 0 | 0 | 0 | 109.5 | P782 L783 I784 | P780-P782 VanDerWaalsContact C-CD 3.4Å; P780-P782 VanDerWaalsContact C-N 3.27Å; P780-P782 VanDerWaalsContact O-N 3.16Å; P780-L783 HydrophobicContact CG-CB 3.77Å; P780-L783 HydrophobicContact CG-CD2 4.32Å; P780-L783 WeakPolarHBondContact O-CB 3.46Å; P780-L783 PolarHBondContact O-N 3.29Å; P780-I784 PolarHBondContact O-N 2.89Å | ||
| 781 | I | 89.7 | Confident | 89.5 | Confident | 82 Ų | 82 | 60.1 Ų | 60.1 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -49.9 | -41.4 | 179.9 | -62.3 | 171.4 | 0 | 0 | 0 | 112.6 | I766 P779 L783 I784 K785 | I766-I781 HydrophobicContact CD1-CG2 4.2Å; P779-I781 PolarHBondContact O-N 3.41Å; I781-L783 VanDerWaalsContact C-N 3.28Å; I781-L783 PolarHBondContact O-N 3.49Å; I781-I784 PolarHBondContact O-N 3.28Å; I781-K785 HydrophobicContact CG2-CD 4.46Å; I781-K785 HydrophobicContact CG2-CG 4.48Å; I781-K785 PolarHBondContact O-N 3.08Å |
| 782 | P | 91.3 | Very high | 89.6 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.3 | -34.1 | 175.2 | -27.4 | 35.9 | 0 | 0 | 0 | 114.8 | P780 R786 | P780-P782 VanDerWaalsContact C-CD 3.4Å; P780-P782 VanDerWaalsContact C-N 3.27Å; P780-P782 VanDerWaalsContact O-N 3.16Å; P782-R786 WeakPolarHBondContact O-CG 3.49Å; P782-R786 PolarHBondContact O-N 3.05Å; P782-R786 VanDerWaalsContact O-N 3.11Å |
| 783 | L | 90.2 | Very high | 89.6 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -39.7 | 177.3 | 179.5 | 62.4 | 0 | 0 | 0 | 111.1 | R742 I746 P780 I781 K785 R786 C787 | R742-L783 HydrophobicContact CB-CD2 4.13Å; I746-L783 HydrophobicContact CD1-CD2 3.6Å; I746-L783 HydrophobicContact CD1-CG 3.78Å; P780-L783 HydrophobicContact CG-CB 3.77Å; P780-L783 HydrophobicContact CG-CD2 4.32Å; P780-L783 WeakPolarHBondContact O-CB 3.46Å; P780-L783 PolarHBondContact O-N 3.29Å; I781-L783 VanDerWaalsContact C-N 3.28Å; I781-L783 PolarHBondContact O-N 3.49Å; L783-K785 VanDerWaalsContact C-N 3.34Å; L783-K785 PolarHBondContact O-N 3.03Å; L783-R786 PolarHBondContact O-N 3.17Å; L783-C787 PolarHBondContact O-N 2.85Å; L783-C787 PolarHBondContact O-SG 3.11Å |
| 784 | I | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 174.9 | -58.4 | 174.5 | 0 | 0 | 0 | 109.9 | I746 I766 I769 P779 P780 I781 R786 C787 I788 | I746-I784 HydrophobicContact CD1-CG1 4.38Å; I746-I784 HydrophobicContact CG2-CG1 4.43Å; I766-I784 HydrophobicContact CG1-CG2 4.31Å; I769-I784 HydrophobicContact CB-CD1 4.42Å; I769-I784 HydrophobicContact CD1-CG2 3.66Å; I769-I784 HydrophobicContact CG2-CD1 3.84Å; I769-I784 HydrophobicContact CG2-CG1 4.2Å; P779-I784 HydrophobicContact CB-CD1 4.08Å; P779-I784 HydrophobicContact CB-CG1 4.12Å; P779-I784 HydrophobicContact CG-CD1 4.07Å; P780-I784 PolarHBondContact O-N 2.89Å; I781-I784 PolarHBondContact O-N 3.28Å; I784-R786 PolarHBondContact O-N 3.49Å; I784-C787 WeakPolarHBondContact O-CB 3.33Å; I784-C787 PolarHBondContact O-N 3.03Å; I784-C787 VanDerWaalsContact O-N 3.1Å; I784-I788 HydrophobicContact CG2-CD1 4.02Å; I784-I788 WeakPolarHBondContact O-CG1 3.28Å; I784-I788 PolarHBondContact O-N 3.38Å |
| 785 | K | 92.4 | Very high | 89.9 | Confident | 104 Ų | 104 | 61.1 Ų | 61.1 | 45% | 0.452 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.2 | -48 | 177.6 | -69.1 | -173.5 | 176.8 | -169.8 | 0 | 111.9 | I781 L783 C787 I788 E789 | I781-K785 HydrophobicContact CG2-CD 4.46Å; I781-K785 HydrophobicContact CG2-CG 4.48Å; I781-K785 PolarHBondContact O-N 3.08Å; L783-K785 VanDerWaalsContact C-N 3.34Å; L783-K785 PolarHBondContact O-N 3.03Å; K785-C787 VanDerWaalsContact C-N 3.28Å; K785-C787 PolarHBondContact O-N 2.93Å; K785-I788 PolarHBondContact O-N 3.48Å; K785-I788 VanDerWaalsContact O-N 3.15Å; K785-E789 WeakPolarHBondContact O-CG 3.46Å; K785-E789 PolarHBondContact O-N 2.91Å |
| 786 | R | 93 | Very high | 90.2 | Very high | 185 Ų | 185 | 60.2 Ų | 60.2 | 70% | 0.698 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.1 | -36.5 | 175.9 | -70.7 | -179.6 | -159.3 | 169.2 | 4.1 | 113.1 | P782 L783 I784 G790 | P782-R786 WeakPolarHBondContact O-CG 3.49Å; P782-R786 PolarHBondContact O-N 3.05Å; P782-R786 VanDerWaalsContact O-N 3.11Å; L783-R786 PolarHBondContact O-N 3.17Å; I784-R786 PolarHBondContact O-N 3.49Å; R786-G790 PolarHBondContact O-N 3.3Å |
| 787 | C | 93.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 176.8 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | I746 Q747 I750 L783 I784 K785 L791 | I746-C787 HydrophobicContact CG2-CB 3.71Å; Q747-C787 HydrophobicContact CG-CB 3.97Å; I750-C787 HydrophobicContact CD1-CB 3.82Å; L783-C787 PolarHBondContact O-N 2.85Å; L783-C787 PolarHBondContact O-SG 3.11Å; I784-C787 WeakPolarHBondContact O-CB 3.33Å; I784-C787 PolarHBondContact O-N 3.03Å; I784-C787 VanDerWaalsContact O-N 3.1Å; K785-C787 VanDerWaalsContact C-N 3.28Å; K785-C787 PolarHBondContact O-N 2.93Å; C787-L791 WeakPolarHBondContact O-CB 3.47Å; C787-L791 VanDerWaalsContact O-CG 3.27Å; C787-L791 WeakPolarHBondContact O-CG 3.31Å; C787-L791 PolarHBondContact O-N 2.92Å |
| 788 | I | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -50.8 | 174.5 | -66.3 | 167 | 0 | 0 | 0 | 110 | I750 L765 I784 K785 G790 L791 I792 Y807 | I750-I788 HydrophobicContact CD1-CG1 3.82Å; L765-I788 HydrophobicContact CD2-CD1 3.86Å; L765-I788 HydrophobicContact CD2-CG1 4.27Å; I784-I788 HydrophobicContact CG2-CD1 4.02Å; I784-I788 WeakPolarHBondContact O-CG1 3.28Å; I784-I788 PolarHBondContact O-N 3.38Å; K785-I788 PolarHBondContact O-N 3.48Å; K785-I788 VanDerWaalsContact O-N 3.15Å; I788-G790 PolarHBondContact O-N 2.84Å; I788-L791 PolarHBondContact O-N 2.94Å; I788-L791 VanDerWaalsContact O-N 3.1Å; I788-I792 HydrophobicContact CG2-CD1 3.89Å; I788-I792 HydrophobicContact CG2-CG1 4.5Å; I788-I792 WeakPolarHBondContact O-CG1 3.46Å; I788-I792 PolarHBondContact O-N 3.38Å; I788-Y807 HydrophobicContact CD1-CE2 4.2Å; I788-Y807 HydrophobicContact CG2-CD1 4.27Å; I788-Y807 HydrophobicContact CG2-CE1 3.77Å; I788-Y807 HydrophobicContact CG2-CE2 4.22Å |
| 789 | E | 93.1 | Very high | 91.1 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 33% | 0.327 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.5 | -48 | 177.6 | -61.4 | -49.4 | 120.9 | 0 | 0 | 111.5 | K785 L791 I792 D793 R799 | K785-E789 WeakPolarHBondContact O-CG 3.46Å; K785-E789 PolarHBondContact O-N 2.91Å; E789-L791 PolarHBondContact O-N 3.33Å; E789-I792 WeakPolarHBondContact O-CB 3.47Å; E789-I792 PolarHBondContact O-N 3.35Å; E789-D793 PolarHBondContact O-N 2.89Å; E789-R799 IonicContact OE1-CZ 3.3Å; E789-R799 IonicContact OE1-NH2 3.23Å; E789-R799 PolarHBondContact OE1-NH2 2.82Å; E789-R799 IonicContact OE2-CZ 3.38Å; E789-R799 IonicContact OE2-NH2 3.86Å; E789-R799 PolarHBondContact OE2-NH2 3.43Å |
| 790 | G | 91.7 | Very high | 91.2 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -28.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R786 I788 T794 | R786-G790 PolarHBondContact O-N 3.3Å; I788-G790 PolarHBondContact O-N 2.84Å; G790-T794 WeakPolarHBondContact O-CB 3.5Å; G790-T794 WeakPolarHBondContact O-CG2 3.42Å; G790-T794 PolarHBondContact O-N 3.28Å; G790-T794 PolarHBondContact O-OG1 2.71Å |
| 791 | L | 93.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -78.2 | -28.2 | 173.6 | -75.3 | 173.2 | 0 | 0 | 0 | 112.9 | Q747 I750 V751 C787 I788 E789 T794 G795 Y796 L797 | Q747-L791 HydrophobicContact CB-CD1 4.31Å; Q747-L791 HydrophobicContact CB-CD2 4.46Å; Q747-L791 HydrophobicContact CG-CD1 4.31Å; Q747-L791 HydrophobicContact CG-CD2 4.46Å; Q747-L791 HydrophobicContact CG-CG 4.26Å; I750-L791 HydrophobicContact CB-CD1 3.78Å; I750-L791 HydrophobicContact CD1-CD1 4.04Å; I750-L791 HydrophobicContact CG2-CD1 3.55Å; V751-L791 HydrophobicContact CG2-CD1 4.1Å; V751-L791 HydrophobicContact CG2-CD2 3.99Å; C787-L791 WeakPolarHBondContact O-CB 3.47Å; C787-L791 VanDerWaalsContact O-CG 3.27Å; C787-L791 WeakPolarHBondContact O-CG 3.31Å; C787-L791 PolarHBondContact O-N 2.92Å; I788-L791 PolarHBondContact O-N 2.94Å; I788-L791 VanDerWaalsContact O-N 3.1Å; E789-L791 PolarHBondContact O-N 3.33Å; L791-T794 WeakPolarHBondContact CA-OG1 3.2Å; L791-T794 PolarHBondContact O-OG1 3.12Å; L791-G795 PolarHBondContact O-N 2.92Å; L791-Y796 HydrophobicContact CD2-CD2 3.98Å; L791-Y796 HydrophobicContact CD2-CG 4.17Å; L791-Y796 PolarHBondContact O-N 3.13Å; L791-L797 HydrophobicContact CB-CD1 3.61Å; L791-L797 HydrophobicContact CB-CG 3.96Å; L791-L797 HydrophobicContact CD1-CD1 4.04Å; L791-L797 HydrophobicContact CG-CD1 4.5Å; L791-L797 PolarHBondContact O-N 3.38Å |
| 792 | I | 91.8 | Very high | 91 | Very high | 39 Ų | 39 | 67.5 Ų | 67.5 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.6 | -48.2 | 170.4 | -66.4 | 165.2 | 0 | 0 | 0 | 109.5 | I788 E789 T794 G795 L797 R799 Y807 | I788-I792 HydrophobicContact CG2-CD1 3.89Å; I788-I792 HydrophobicContact CG2-CG1 4.5Å; I788-I792 WeakPolarHBondContact O-CG1 3.46Å; I788-I792 PolarHBondContact O-N 3.38Å; E789-I792 WeakPolarHBondContact O-CB 3.47Å; E789-I792 PolarHBondContact O-N 3.35Å; I792-T794 PolarHBondContact O-N 2.94Å; I792-G795 PolarHBondContact O-N 3.4Å; I792-L797 WeakPolarHBondContact CA-O 3.09Å; I792-L797 HydrophobicContact CG1-CB 3.89Å; I792-R799 HydrophobicContact CD1-CG 3.98Å; I792-Y807 HydrophobicContact CD1-CD1 4.43Å; I792-Y807 HydrophobicContact CD1-CE1 4.2Å |
| 793 | D | 91.5 | Very high | 90.8 | Very high | 134 Ų | 134 | 65.8 Ų | 65.8 | 72% | 0.717 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.6 | -33.5 | 179.9 | -67.5 | -22.2 | 0 | 0 | 0 | 112.6 | E789 G795 | E789-D793 PolarHBondContact O-N 2.89Å; D793-G795 VanDerWaalsContact C-N 3.28Å |
| 794 | T | 91.2 | Very high | 90.6 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 0.6 | 176.7 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | G790 L791 I792 Y796 | G790-T794 WeakPolarHBondContact O-CB 3.5Å; G790-T794 WeakPolarHBondContact O-CG2 3.42Å; G790-T794 PolarHBondContact O-N 3.28Å; G790-T794 PolarHBondContact O-OG1 2.71Å; L791-T794 WeakPolarHBondContact CA-OG1 3.2Å; L791-T794 PolarHBondContact O-OG1 3.12Å; I792-T794 PolarHBondContact O-N 2.94Å; T794-Y796 WeakPolarHBondContact OG1-CD2 3.4Å |
| 795 | G | 88.8 | Confident | 90.5 | Very high | 42 Ų | 42 | 73.1 Ų | 73.1 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 15.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L791 I792 D793 L810 | L791-G795 PolarHBondContact O-N 2.92Å; I792-G795 PolarHBondContact O-N 3.4Å; D793-G795 VanDerWaalsContact C-N 3.28Å; G795-L810 WeakPolarHBondContact O-CB 3.44Å; G795-L810 WeakPolarHBondContact O-CD1 3.49Å |
| 796 | Y | 89 | Confident | 90.5 | Very high | 114 Ų | 114 | 69.9 Ų | 69.9 | 45% | 0.447 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -79.7 | -25.2 | 173.8 | -75.1 | -85 | 0 | 0 | 0 | 112.6 | L791 T794 L810 | L791-Y796 HydrophobicContact CD2-CD2 3.98Å; L791-Y796 HydrophobicContact CD2-CG 4.17Å; L791-Y796 PolarHBondContact O-N 3.13Å; T794-Y796 WeakPolarHBondContact OG1-CD2 3.4Å; Y796-L810 PolarHBondContact O-N 2.98Å |
| 797 | L | 90.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151.2 | -174.9 | -57.4 | 178.5 | 0 | 0 | 0 | 110.4 | I750 L754 L791 I792 S808 Y809 | I750-L797 HydrophobicContact CG2-CD1 3.7Å; L754-L797 HydrophobicContact CB-CD2 4.02Å; L754-L797 HydrophobicContact CD1-CD1 3.8Å; L754-L797 HydrophobicContact CD1-CD2 3.26Å; L754-L797 HydrophobicContact CD1-CG 4.17Å; L754-L797 HydrophobicContact CD2-CD2 4.47Å; L754-L797 HydrophobicContact CG-CD2 4.07Å; L791-L797 HydrophobicContact CB-CD1 3.61Å; L791-L797 HydrophobicContact CB-CG 3.96Å; L791-L797 HydrophobicContact CD1-CD1 4.04Å; L791-L797 HydrophobicContact CG-CD1 4.5Å; L791-L797 PolarHBondContact O-N 3.38Å; I792-L797 WeakPolarHBondContact CA-O 3.09Å; I792-L797 HydrophobicContact CG1-CB 3.89Å; L797-S808 WeakPolarHBondContact CA-O 3.39Å; L797-Y809 HydrophobicContact CD2-CD2 4.17Å |
| 798 | E | 91.4 | Very high | 90.3 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 152.7 | 166.6 | 62.6 | -178.9 | -173.3 | 0 | 0 | 110.6 | Y807 S808 L810 | E798-Y807 CarbonylContact O-C 3.37Å; E798-Y807 WeakPolarHBondContact O-CA 3.23Å; E798-S808 PolarHBondContact N-O 3.12Å; E798-S808 PolarHBondContact O-N 2.84Å; E798-L810 HydrophobicContact CB-CD1 3.95Å; E798-L810 HydrophobicContact CB-CG 4.23Å; E798-L810 HydrophobicContact CG-CD1 4.29Å; E798-L810 HydrophobicContact CG-CD2 4Å; E798-L810 HydrophobicContact CG-CG 4.04Å |
| 799 | R | 92.4 | Very high | 90.2 | Very high | 112 Ų | 112 | 64.2 Ų | 64.2 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 138 | 167.1 | -66.3 | -177.5 | -174.6 | 173.6 | 1.5 | 108.3 | E789 I792 Y807 | E789-R799 IonicContact OE1-CZ 3.3Å; E789-R799 IonicContact OE1-NH2 3.23Å; E789-R799 PolarHBondContact OE1-NH2 2.82Å; E789-R799 IonicContact OE2-CZ 3.38Å; E789-R799 IonicContact OE2-NH2 3.86Å; E789-R799 PolarHBondContact OE2-NH2 3.43Å; I792-R799 HydrophobicContact CD1-CG 3.98Å; R799-Y807 HydrophobicContact CG-CD1 3.92Å; R799-Y807 HydrophobicContact CG-CE1 3.79Å |
| 800 | N | 88 | Confident | 89.8 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | trans | -62 | 128.2 | 173.5 | -176.7 | -9.3 | 0 | 0 | 0 | 108.8 | D802 D803 Q806 | N800-D802 PolarHBondContact O-N 3.19Å; N800-D802 PolarHBondContact OD1-N 2.73Å; N800-D802 VanDerWaalsContact OD1-N 3.08Å; N800-D803 WeakPolarHBondContact CB-O 3.26Å; N800-D803 CarbonylContact O-C 3.56Å; N800-D803 PolarHBondContact O-N 3.34Å; N800-Q806 HydrophobicContact CB-CB 4Å; N800-Q806 HydrophobicContact CB-CG 4.42Å; N800-Q806 PolarHBondContact N-O 2.99Å; N800-Q806 PolarHBondContact ND2-OE1 2.94Å | ||
| 801 | P | 84.7 | Confident | 89 | Confident | 120 Ų | 120 | 69.5 Ų | 69.5 | 78% | 0.779 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -59 | -30.3 | 177.6 | 22.1 | -34.4 | 0 | 0 | 0 | 113.5 | ||
| 802 | D | 86.7 | Confident | 88.8 | Confident | 149 Ų | 149 | 72.6 Ų | 72.6 | 80% | 0.797 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -88 | -27.4 | -177.6 | -61.8 | -38.4 | 0 | 0 | 0 | 113.2 | N800 | N800-D802 PolarHBondContact O-N 3.19Å; N800-D802 PolarHBondContact OD1-N 2.73Å; N800-D802 VanDerWaalsContact OD1-N 3.08Å |
| 803 | D | 88.4 | Confident | 88.7 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | trans | -136.3 | 99.4 | 179.8 | -175.1 | -0.7 | 0 | 0 | 0 | 110.3 | K761 N800 D805 Q806 | K761-D803 IonicContact NZ-OD2 3.09Å; N800-D803 WeakPolarHBondContact CB-O 3.26Å; N800-D803 CarbonylContact O-C 3.56Å; N800-D803 PolarHBondContact O-N 3.34Å; D803-D805 PolarHBondContact O-N 2.8Å; D803-D805 VanDerWaalsContact O-N 3.1Å; D803-D805 PolarHBondContact OD1-N 3.32Å; D803-D805 VanDerWaalsContact OD1-N 3.13Å; D803-Q806 HydrophobicContact CB-CB 4.11Å; D803-Q806 WeakPolarHBondContact O-CB 3.21Å; D803-Q806 PolarHBondContact O-N 2.93Å | ||
| 804 | P | 85.4 | Confident | 88.5 | Confident | 84 Ų | 84 | 71 Ų | 71 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16 | -177.1 | 27.6 | -35.2 | 0 | 0 | 0 | 113.6 | Q806 | P804-Q806 VanDerWaalsContact C-N 3.27Š|
| 805 | D | 90.1 | Very high | 88.3 | Confident | 98 Ų | 98 | 69.9 Ų | 69.9 | 52% | 0.524 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 3.8 | 174.6 | -76 | -34.2 | 0 | 0 | 0 | 112.6 | K761 H762 D803 | K761-D805 CarbonylContact C-O 3.59Å; K761-D805 VanDerWaalsContact CA-O 3.26Å; K761-D805 WeakPolarHBondContact CA-O 3.44Å; H762-D805 HydrophobicContact CB-CB 4.49Å; H762-D805 PolarHBondContact N-O 2.95Å; D803-D805 PolarHBondContact O-N 2.8Å; D803-D805 VanDerWaalsContact O-N 3.1Å; D803-D805 PolarHBondContact OD1-N 3.32Å; D803-D805 VanDerWaalsContact OD1-N 3.13Å |
| 806 | Q | 92.3 | Very high | 88.3 | Confident | 36 Ų | 36 | 71.7 Ų | 71.7 | 17% | 0.168 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.6 | 176.1 | -169.3 | 178.7 | 9 | 0 | 0 | 111.1 | Q759 N800 D803 P804 | Q759-Q806 VanDerWaalsContact OE1-NE2 3.15Å; N800-Q806 HydrophobicContact CB-CB 4Å; N800-Q806 HydrophobicContact CB-CG 4.42Å; N800-Q806 PolarHBondContact N-O 2.99Å; N800-Q806 PolarHBondContact ND2-OE1 2.94Å; D803-Q806 HydrophobicContact CB-CB 4.11Å; D803-Q806 WeakPolarHBondContact O-CB 3.21Å; D803-Q806 PolarHBondContact O-N 2.93Å; P804-Q806 VanDerWaalsContact C-N 3.27Å |
| 807 | Y | 93.2 | Very high | 88.3 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 4% | 0.039 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.7 | 176 | -54.9 | -65.1 | 0 | 0 | 0 | 110.6 | Q759 I760 H762 L765 I788 I792 E798 R799 | Q759-Y807 VanDerWaalsContact CA-O 3.24Å; Q759-Y807 WeakPolarHBondContact CA-O 3.13Å; I760-Y807 PolarHBondContact N-O 2.93Å; I760-Y807 PolarHBondContact O-N 2.96Å; H762-Y807 HydrophobicContact CB-CE2 3.78Å; H762-Y807 AromaticContact CG-CE2 3.99Å; H762-Y807 AromaticContact ND1-CE2 3.39Å; H762-Y807 WeakPolarHBondContact ND1-CE2 3.48Å; H762-Y807 AromaticContact ND1-CZ 3.53Å; H762-Y807 PolarHBondContact ND1-OH 2.65Å; L765-Y807 HydrophobicContact CD2-CD2 3.72Å; L765-Y807 HydrophobicContact CD2-CE2 4.07Å; I788-Y807 HydrophobicContact CD1-CE2 4.2Å; I788-Y807 HydrophobicContact CG2-CD1 4.27Å; I788-Y807 HydrophobicContact CG2-CE1 3.77Å; I788-Y807 HydrophobicContact CG2-CE2 4.22Å; I792-Y807 HydrophobicContact CD1-CD1 4.43Å; I792-Y807 HydrophobicContact CD1-CE1 4.2Å; E798-Y807 CarbonylContact O-C 3.37Å; E798-Y807 WeakPolarHBondContact O-CA 3.23Å; R799-Y807 HydrophobicContact CG-CD1 3.92Å; R799-Y807 HydrophobicContact CG-CE1 3.79Å |
| 808 | S | 90.5 | Very high | 88.1 | Confident | 9 Ų | 9 | 73.6 Ų | 73.6 | 6% | 0.063 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.8 | 171.9 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | R758 Q759 L797 E798 | R758-S808 WeakPolarHBondContact O-CA 3.35Å; Q759-S808 PolarHBondContact NE2-OG 2.91Å; L797-S808 WeakPolarHBondContact CA-O 3.39Å; E798-S808 PolarHBondContact N-O 3.12Å; E798-S808 PolarHBondContact O-N 2.84Å |
| 809 | Y | 90.8 | Very high | 87.9 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 19% | 0.192 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130.6 | 173.3 | -176.6 | -110.2 | 0 | 0 | 0 | 111.2 | V751 L754 K755 R758 L797 A811 | V751-Y809 HydrophobicContact CG1-CE2 4.02Å; L754-Y809 HydrophobicContact CB-CD2 4.13Å; L754-Y809 HydrophobicContact CB-CG 4.42Å; K755-Y809 HydrophobicContact CB-CD1 4.46Å; K755-Y809 HydrophobicContact CB-CE1 4.32Å; K755-Y809 HydrophobicContact CG-CE1 4.22Å; R758-Y809 PolarHBondContact O-N 3.3Å; L797-Y809 HydrophobicContact CD2-CD2 4.17Å; Y809-A811 HydrophobicContact CE1-CB 4.49Å; Y809-A811 PolarHBondContact OH-OXT 2.93Å |
| 810 | L | 84.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | trans | -100.4 | 129.2 | 170.1 | -65.8 | 176.9 | 0 | 0 | 0 | 109 | G795 Y796 E798 | G795-L810 WeakPolarHBondContact O-CB 3.44Å; G795-L810 WeakPolarHBondContact O-CD1 3.49Å; Y796-L810 PolarHBondContact O-N 2.98Å; E798-L810 HydrophobicContact CB-CD1 3.95Å; E798-L810 HydrophobicContact CB-CG 4.23Å; E798-L810 HydrophobicContact CG-CD1 4.29Å; E798-L810 HydrophobicContact CG-CD2 4Å; E798-L810 HydrophobicContact CG-CG 4.04Å | ||
| 811 | A | 74.7 | Confident | 87.4 | Confident | 145 Ų | 145 | 72.9 Ų | 72.9 | 100% | 1.198 | 44% | 0.44 | S | S | * | . | trans | -71.1 | 0 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y809 | Y809-A811 HydrophobicContact CE1-CB 4.49Å; Y809-A811 PolarHBondContact OH-OXT 2.93Å |
Retrieved 811 of 811 residues in 496.6 ms
(Link to these results)