| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35 | Very low | 41.3 | Very low | 237 Ų | 237 | 103.8 Ų | 103.8 | 100% | 1.167 | 58% | 0.577 | S | S | * | * | 0 | 108 | 0 | -82.9 | 171 | 144.2 | 0 | 0 | 107.7 | K3 | M1-K3 PolarHBondContact O-N 2.87Å; M1-K3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | N | 35.9 | Very low | 42.4 | Very low | 171 Ų | 171 | 96.6 Ų | 96.6 | 91% | 0.914 | 54% | 0.536 | S | S | * | . | trans | -65.6 | 109.2 | 172.1 | -74 | -14.3 | 0 | 0 | 0 | 107.6 | ||||
| 3 | K | 36.2 | Very low | 43.6 | Very low | 176 Ų | 176 | 93 Ų | 93 | 77% | 0.765 | 52% | 0.515 | S | S | * | . | trans | -64.9 | 135.3 | 171.2 | -82.3 | -176.6 | 174 | -178.4 | 0 | 108.2 | M1 G5 | M1-K3 PolarHBondContact O-N 2.87Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-G5 PolarHBondContact O-N 3.03Å | ||
| 4 | P | 39.5 | Very low | 44.5 | Very low | 109 Ų | 109 | 90.9 Ų | 90.9 | 71% | 0.708 | 50% | 0.5 | S | S | * | . | trans | -74.2 | 74.1 | 171.3 | 33 | -31.4 | 0 | 0 | 0 | 107.7 | T7 | P4-T7 PolarHBondContact O-OG1 3.38Š| ||
| 5 | G | 39.8 | Very low | 45.3 | Very low | 37 Ų | 37 | 89.9 Ų | 89.9 | 38% | 0.381 | 49% | 0.49 | S | S | . | . | trans | -92.2 | 4.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K3 D112 | K3-G5 PolarHBondContact O-N 3.03Å; G5-D112 WeakPolarHBondContact O-CB 3.48Å | ||
| 6 | G | 38.7 | Very low | 45.9 | Very low | 39 Ų | 39 | 84.4 Ų | 84.4 | 40% | 0.402 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -105.8 | -17 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V8 L10 | G6-V8 PolarHBondContact O-N 3.25Å; G6-L10 VanDerWaalsContact O-CB 3.3Å; G6-L10 WeakPolarHBondContact O-CB 3.33Å; G6-L10 VanDerWaalsContact O-CD1 3.32Å; G6-L10 WeakPolarHBondContact O-CD1 3.47Å; G6-L10 WeakPolarHBondContact O-CG 3.25Å; G6-L10 PolarHBondContact O-N 3.4Å; G6-L10 VanDerWaalsContact O-N 3.15Å |
| 7 | T | 42 | Very low | 46.6 | Very low | 84 Ų | 84 | 82.2 Ų | 82.2 | 52% | 0.515 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.1 | -31.1 | -166.9 | 0.7 | 0 | 0 | 0 | 0 | 113.3 | P4 H11 | P4-T7 PolarHBondContact O-OG1 3.38Å; T7-H11 WeakPolarHBondContact O-CB 3.48Å; T7-H11 PolarHBondContact O-N 2.98Å |
| 8 | V | 46.2 | Very low | 47.3 | Very low | 53 Ų | 53 | 77.9 Ų | 77.9 | 32% | 0.321 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -84 | -39.4 | -175.7 | -169.1 | 0 | 0 | 0 | 0 | 112.8 | G6 L10 H11 I12 G110 | G6-V8 PolarHBondContact O-N 3.25Å; V8-L10 VanDerWaalsContact C-N 3.31Å; V8-L10 PolarHBondContact O-N 2.84Å; V8-H11 PolarHBondContact O-N 3.46Å; V8-I12 HydrophobicContact CG1-CD1 4.38Å; V8-I12 WeakPolarHBondContact O-CG1 3.47Å; V8-I12 PolarHBondContact O-N 3.2Å; V8-G110 WeakPolarHBondContact CB-O 3.34Å; V8-G110 WeakPolarHBondContact CG1-O 3.35Å; V8-G110 WeakPolarHBondContact CG2-O 3.4Å |
| 9 | N | 45 | Very low | 47.8 | Very low | 26 Ų | 26 | 79.5 Ų | 79.5 | 14% | 0.139 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 167.3 | -88.2 | -31.8 | 0 | 0 | 0 | 112.5 | H11 I12 N13 D112 S115 | N9-H11 VanDerWaalsContact C-N 3.33Å; N9-I12 PolarHBondContact O-N 2.99Å; N9-N13 WeakPolarHBondContact O-CB 3.47Å; N9-N13 PolarHBondContact O-N 2.87Å; N9-N13 PolarHBondContact O-ND2 2.99Å; N9-D112 VanDerWaalsContact CB-OD2 3.27Å; N9-D112 WeakPolarHBondContact CB-OD2 3.13Å; N9-D112 VanDerWaalsContact CG-OD1 3.27Å; N9-D112 PolarHBondContact N-OD2 3.33Å; N9-D112 PolarHBondContact ND2-OD1 3.36Å; N9-D112 PolarHBondContact ND2-OD2 3.46Å; N9-S115 WeakPolarHBondContact ND2-CA 3.29Å; N9-S115 PolarHBondContact ND2-N 3.26Å; N9-S115 WeakPolarHBondContact OD1-CA 3.49Å; N9-S115 WeakPolarHBondContact OD1-CB 3.14Å; N9-S115 PolarHBondContact OD1-OG 3.48Å |
| 10 | L | 44.1 | Very low | 48.2 | Very low | 97 Ų | 97 | 83.6 Ų | 83.6 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 172.3 | -83.5 | 160.5 | 0 | 0 | 0 | 109.9 | G6 V8 I12 N13 E14 | G6-L10 VanDerWaalsContact O-CB 3.3Å; G6-L10 WeakPolarHBondContact O-CB 3.33Å; G6-L10 VanDerWaalsContact O-CD1 3.32Å; G6-L10 WeakPolarHBondContact O-CD1 3.47Å; G6-L10 WeakPolarHBondContact O-CG 3.25Å; G6-L10 PolarHBondContact O-N 3.4Å; G6-L10 VanDerWaalsContact O-N 3.15Å; V8-L10 VanDerWaalsContact C-N 3.31Å; V8-L10 PolarHBondContact O-N 2.84Å; L10-I12 PolarHBondContact O-N 3.42Å; L10-N13 PolarHBondContact O-N 3.49Å; L10-E14 WeakPolarHBondContact O-CB 3.31Å; L10-E14 WeakPolarHBondContact O-CG 3.34Å; L10-E14 PolarHBondContact O-N 3.12Å |
| 11 | H | 51.7 | Low | 49 | Very low | 113 Ų | 113 | 81.3 Ų | 81.3 | 52% | 0.523 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 179.5 | -162.6 | 58.9 | 0 | 0 | 0 | 112.5 | T7 V8 N9 E14 E15 | T7-H11 WeakPolarHBondContact O-CB 3.48Å; T7-H11 PolarHBondContact O-N 2.98Å; V8-H11 PolarHBondContact O-N 3.46Å; N9-H11 VanDerWaalsContact C-N 3.33Å; H11-E14 PolarHBondContact O-N 3.44Å; H11-E15 WeakPolarHBondContact O-CA 3.28Å; H11-E15 WeakPolarHBondContact O-CB 3.34Å; H11-E15 PolarHBondContact O-N 2.86Å |
| 12 | I | 55.2 | Low | 51.2 | Low | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.087 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 175.4 | -71.1 | 173 | 0 | 0 | 0 | 110.1 | V8 N9 L10 E14 E15 L16 L111 Y117 | V8-I12 HydrophobicContact CG1-CD1 4.38Å; V8-I12 WeakPolarHBondContact O-CG1 3.47Å; V8-I12 PolarHBondContact O-N 3.2Å; N9-I12 PolarHBondContact O-N 2.99Å; L10-I12 PolarHBondContact O-N 3.42Å; I12-E14 PolarHBondContact O-N 3.39Å; I12-E15 PolarHBondContact O-N 3.31Å; I12-L16 HydrophobicContact CG2-CD1 3.45Å; I12-L16 VanDerWaalsContact CG2-CD1 3.45Å; I12-L16 HydrophobicContact CG2-CG 3.83Å; I12-L16 WeakPolarHBondContact O-CA 3.35Å; I12-L16 WeakPolarHBondContact O-CB 3.45Å; I12-L16 WeakPolarHBondContact O-CG 3.32Å; I12-L16 PolarHBondContact O-N 3.18Å; I12-L111 HydrophobicContact CD1-CD2 3.14Å; I12-Y117 HydrophobicContact CG2-CE2 4.07Å |
| 13 | N | 57.8 | Low | 53.6 | Low | 50 Ų | 50 | 71.2 Ų | 71.2 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 179.3 | -71.1 | -30.1 | 0 | 0 | 0 | 112.4 | N9 L10 I17 Y117 | N9-N13 WeakPolarHBondContact O-CB 3.47Å; N9-N13 PolarHBondContact O-N 2.87Å; N9-N13 PolarHBondContact O-ND2 2.99Å; L10-N13 PolarHBondContact O-N 3.49Å; N13-I17 WeakPolarHBondContact O-CB 3.42Å; N13-I17 WeakPolarHBondContact O-CG1 3.46Å; N13-I17 PolarHBondContact O-N 3.07Å; N13-Y117 PolarHBondContact OD1-OH 3.35Å |
| 14 | E | 56 | Low | 56 | Low | 64 Ų | 64 | 64 Ų | 64 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 176 | -73.9 | 172.4 | 175.7 | 0 | 0 | 112.1 | L10 H11 I12 G18 L19 H20 | L10-E14 WeakPolarHBondContact O-CB 3.31Å; L10-E14 WeakPolarHBondContact O-CG 3.34Å; L10-E14 PolarHBondContact O-N 3.12Å; H11-E14 PolarHBondContact O-N 3.44Å; I12-E14 PolarHBondContact O-N 3.39Å; E14-G18 VanDerWaalsContact O-CA 3.29Å; E14-G18 WeakPolarHBondContact O-CA 3.37Å; E14-G18 PolarHBondContact O-N 3.02Å; E14-L19 PolarHBondContact O-N 3.41Å; E14-H20 IonicContact OE2-NE2 2.71Å |
| 15 | E | 56.1 | Low | 58.3 | Low | 75 Ų | 75 | 61.5 Ų | 61.5 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.9 | -43 | 175.9 | -172.9 | -177 | -174.1 | 0 | 0 | 111.2 | H11 I12 G18 N29 P60 | H11-E15 WeakPolarHBondContact O-CA 3.28Å; H11-E15 WeakPolarHBondContact O-CB 3.34Å; H11-E15 PolarHBondContact O-N 2.86Å; I12-E15 PolarHBondContact O-N 3.31Å; E15-G18 PolarHBondContact O-N 3.23Å; E15-N29 PolarHBondContact O-ND2 2.62Å; E15-P60 VanDerWaalsContact OE1-CD 3.26Å; E15-P60 WeakPolarHBondContact OE1-CD 3.47Å |
| 16 | L | 55.3 | Low | 60.6 | Low | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 175.6 | -79.1 | 177.9 | 0 | 0 | 0 | 110.5 | I12 G18 N29 I33 P59 F61 C62 L213 | I12-L16 HydrophobicContact CG2-CD1 3.45Å; I12-L16 VanDerWaalsContact CG2-CD1 3.45Å; I12-L16 HydrophobicContact CG2-CG 3.83Å; I12-L16 WeakPolarHBondContact O-CA 3.35Å; I12-L16 WeakPolarHBondContact O-CB 3.45Å; I12-L16 WeakPolarHBondContact O-CG 3.32Å; I12-L16 PolarHBondContact O-N 3.18Å; L16-G18 VanDerWaalsContact C-N 3.34Å; L16-N29 WeakPolarHBondContact O-CB 3.33Å; L16-N29 VanDerWaalsContact O-CG 3.27Å; L16-N29 PolarHBondContact O-ND2 2.92Å; L16-I33 HydrophobicContact CB-CD1 4.05Å; L16-P59 HydrophobicContact CD2-CB 4.08Å; L16-F61 HydrophobicContact CD2-CD1 4.34Å; L16-C62 WeakPolarHBondContact CD2-SG 3.37Å; L16-L213 HydrophobicContact CD1-CD2 4.05Å; L16-L213 HydrophobicContact CD2-CD2 4.49Å |
| 17 | I | 58 | Low | 63.1 | Low | 47 Ų | 47 | 59.5 Ų | 59.5 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -78.8 | -25.3 | 180 | -64.3 | 170.4 | 0 | 0 | 0 | 110.2 | N13 L19 F26 | N13-I17 WeakPolarHBondContact O-CB 3.42Å; N13-I17 WeakPolarHBondContact O-CG1 3.46Å; N13-I17 PolarHBondContact O-N 3.07Å; I17-L19 HydrophobicContact CB-CG 4.33Å; I17-L19 HydrophobicContact CG2-CD2 3.89Å; I17-L19 HydrophobicContact CG2-CG 3.81Å; I17-F26 HydrophobicContact CG2-CD2 3.7Å; I17-F26 HydrophobicContact CG2-CE2 3.22Å; I17-F26 HydrophobicContact CG2-CZ 4.17Å; I17-F26 WeakPolarHBondContact O-CD2 3.3Å |
| 18 | G | 59.7 | Low | 65.5 | Low | 5 Ų | 5 | 55.5 Ų | 55.5 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 31.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E14 E15 L16 H20 G21 N29 | E14-G18 VanDerWaalsContact O-CA 3.29Å; E14-G18 WeakPolarHBondContact O-CA 3.37Å; E14-G18 PolarHBondContact O-N 3.02Å; E15-G18 PolarHBondContact O-N 3.23Å; L16-G18 VanDerWaalsContact C-N 3.34Å; G18-H20 PolarHBondContact O-N 3.09Å; G18-H20 VanDerWaalsContact O-N 3.09Å; G18-G21 PolarHBondContact O-N 2.98Å; G18-N29 WeakPolarHBondContact CA-ND2 3.31Å; G18-N29 PolarHBondContact N-ND2 2.76Å |
| 19 | L | 56.2 | Low | 67.7 | Low | 109 Ų | 109 | 53 Ų | 53 | 57% | 0.571 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.6 | -176 | -70.6 | 172.6 | 0 | 0 | 0 | 113.6 | E14 I17 F26 | E14-L19 PolarHBondContact O-N 3.41Å; I17-L19 HydrophobicContact CB-CG 4.33Å; I17-L19 HydrophobicContact CG2-CD2 3.89Å; I17-L19 HydrophobicContact CG2-CG 3.81Å; L19-F26 HydrophobicContact CD2-CD2 4.26Å; L19-F26 HydrophobicContact CD2-CE2 4Å |
| 20 | H | 56.1 | Low | 69.9 | Low | 161 Ų | 161 | 52 Ų | 52 | 75% | 0.745 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7 | 177.5 | -61.9 | -57.9 | 0 | 0 | 0 | 114.1 | E14 G18 | E14-H20 IonicContact OE2-NE2 2.71Å; G18-H20 PolarHBondContact O-N 3.09Å; G18-H20 VanDerWaalsContact O-N 3.09Å |
| 21 | G | 63.7 | Low | 72.4 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -98.8 | -174.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | G18 | G18-G21 PolarHBondContact O-N 2.98Š|
| 22 | S | 81.2 | Confident | 74.4 | Confident | 63 Ų | 63 | 42.1 Ų | 42.1 | 44% | 0.441 | 21% | 0.214 | S | C | . | . | trans | -64 | 155.2 | 164.5 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | D24 K25 F26 | S22-D24 PolarHBondContact O-N 3.32Å; S22-K25 WeakPolarHBondContact O-CB 3.31Å; S22-K25 PolarHBondContact O-N 3.31Å; S22-K25 WeakPolarHBondContact OG-CB 3.24Å; S22-K25 PolarHBondContact OG-N 3.11Å; S22-K25 VanDerWaalsContact OG-N 3.08Å; S22-F26 PolarHBondContact O-N 3.49Å | ||
| 23 | R | 86.4 | Confident | 76.3 | Confident | 134 Ų | 134 | 41.3 Ų | 41.3 | 51% | 0.506 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56 | -39.1 | 175.4 | -65.4 | 167.7 | 178.8 | -179.9 | 4 | 111.8 | F26 L27 R235 F236 T238 | R23-F26 WeakPolarHBondContact O-CB 3.31Å; R23-F26 PolarHBondContact O-N 3.44Å; R23-L27 WeakPolarHBondContact O-CG 3.41Å; R23-L27 PolarHBondContact O-N 3.04Å; R23-R235 PolarHBondContact NH1-O 3.24Å; R23-F236 HydrophobicContact CB-CB 4.27Å; R23-F236 HydrophobicContact CB-CD1 4.34Å; R23-F236 HydrophobicContact CB-CG 4.14Å; R23-F236 VanDerWaalsContact CD-O 3.3Å; R23-F236 WeakPolarHBondContact CD-O 3.41Å; R23-F236 HydrophobicContact CG-CB 4.44Å; R23-F236 HydrophobicContact CG-CD1 3.92Å; R23-F236 HydrophobicContact CG-CE1 4.41Å; R23-F236 HydrophobicContact CG-CG 4.21Å; R23-F236 PolarHBondContact NH1-O 3.33Å; R23-T238 HydrophobicContact CB-CG2 3.79Å |
| 24 | D | 87 | Confident | 78.1 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.7 | -36 | 175.1 | -79 | -5 | 0 | 0 | 0 | 112.7 | S22 L27 L28 L54 T238 L240 Y266 | S22-D24 PolarHBondContact O-N 3.32Å; D24-L27 PolarHBondContact O-N 3.17Å; D24-L28 PolarHBondContact O-N 3.01Å; D24-L54 HydrophobicContact CB-CD1 3.69Å; D24-L54 HydrophobicContact CB-CD2 4.09Å; D24-T238 WeakPolarHBondContact OD1-CB 3.4Å; D24-T238 WeakPolarHBondContact OD1-CG2 3.35Å; D24-T238 PolarHBondContact OD1-OG1 3.13Å; D24-L240 WeakPolarHBondContact OD1-CB 2.99Å; D24-Y266 PolarHBondContact OD2-OH 3.29Å; D24-Y266 VanDerWaalsContact OD2-OH 3.04Å |
| 25 | K | 87.7 | Confident | 79.9 | Confident | 56 Ų | 56 | 36 Ų | 36 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 173.6 | -177.7 | -179.9 | 176.3 | -173.9 | 0 | 111.1 | S22 L27 L28 N29 | S22-K25 WeakPolarHBondContact O-CB 3.31Å; S22-K25 PolarHBondContact O-N 3.31Å; S22-K25 WeakPolarHBondContact OG-CB 3.24Å; S22-K25 PolarHBondContact OG-N 3.11Å; S22-K25 VanDerWaalsContact OG-N 3.08Å; K25-L27 VanDerWaalsContact C-N 3.29Å; K25-L27 PolarHBondContact O-N 2.97Å; K25-L28 PolarHBondContact O-N 2.67Å; K25-N29 VanDerWaalsContact O-CB 3.24Å; K25-N29 WeakPolarHBondContact O-CB 3.43Å; K25-N29 PolarHBondContact O-N 2.83Å |
| 26 | F | 88.8 | Confident | 81.7 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 174 | 169.5 | -80.2 | 0 | 0 | 0 | 111.6 | I17 L19 S22 R23 N29 T30 L217 F236 | I17-F26 HydrophobicContact CG2-CD2 3.7Å; I17-F26 HydrophobicContact CG2-CE2 3.22Å; I17-F26 HydrophobicContact CG2-CZ 4.17Å; I17-F26 WeakPolarHBondContact O-CD2 3.3Å; L19-F26 HydrophobicContact CD2-CD2 4.26Å; L19-F26 HydrophobicContact CD2-CE2 4Å; S22-F26 PolarHBondContact O-N 3.49Å; R23-F26 WeakPolarHBondContact O-CB 3.31Å; R23-F26 PolarHBondContact O-N 3.44Å; F26-N29 WeakPolarHBondContact O-CB 3.42Å; F26-N29 PolarHBondContact O-N 3.36Å; F26-T30 WeakPolarHBondContact O-CB 3.43Å; F26-T30 PolarHBondContact O-N 3.27Å; F26-T30 PolarHBondContact O-OG1 2.95Å; F26-L217 HydrophobicContact CE1-CD1 3.76Å; F26-L217 HydrophobicContact CZ-CD1 4.34Å; F26-F236 AromaticContact CD1-CE2 3.51Å; F26-F236 HydrophobicContact CD1-CE2 3.51Å; F26-F236 AromaticContact CD1-CZ 3.76Å; F26-F236 HydrophobicContact CD1-CZ 3.76Å; F26-F236 AromaticContact CE1-CE2 3.63Å; F26-F236 HydrophobicContact CE1-CE2 3.63Å; F26-F236 AromaticContact CE1-CZ 3.8Å; F26-F236 HydrophobicContact CE1-CZ 3.8Å; F26-F236 HydrophobicContact CG-CE2 4.48Å; F26-F236 HydrophobicContact CG-CZ 4.41Å; F26-F236 HydrophobicContact CZ-CZ 4.44Å |
| 27 | L | 91.4 | Very high | 83.6 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.5 | -41.6 | 178 | -69.7 | 175.7 | 0 | 0 | 0 | 112.7 | R23 D24 K25 N29 T30 I31 L217 L233 F236 L240 A241 I244 | R23-L27 WeakPolarHBondContact O-CG 3.41Å; R23-L27 PolarHBondContact O-N 3.04Å; D24-L27 PolarHBondContact O-N 3.17Å; K25-L27 VanDerWaalsContact C-N 3.29Å; K25-L27 PolarHBondContact O-N 2.97Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.42Å; L27-T30 WeakPolarHBondContact O-CB 3.24Å; L27-T30 PolarHBondContact O-N 3.25Å; L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 3.08Å; L27-L217 HydrophobicContact CD2-CD1 4.28Å; L27-L233 HydrophobicContact CD1-CD2 4.33Å; L27-L233 HydrophobicContact CD2-CD2 3.56Å; L27-F236 HydrophobicContact CD1-CD2 4.06Å; L27-F236 HydrophobicContact CD2-CD2 3.97Å; L27-F236 HydrophobicContact CD2-CE2 3.9Å; L27-F236 HydrophobicContact CG-CD2 4.03Å; L27-F236 HydrophobicContact CG-CE2 4.17Å; L27-L240 HydrophobicContact CB-CD2 3.62Å; L27-L240 HydrophobicContact CB-CG 4.14Å; L27-L240 HydrophobicContact CD1-CB 4.22Å; L27-L240 HydrophobicContact CD1-CD2 4.35Å; L27-L240 HydrophobicContact CD1-CG 4.11Å; L27-A241 HydrophobicContact CD1-CB 3.78Å; L27-I244 HydrophobicContact CB-CD1 4.39Å; L27-I244 HydrophobicContact CD1-CD1 4.21Å; L27-I244 HydrophobicContact CD2-CD1 4.14Å; L27-I244 HydrophobicContact CG-CD1 4.49Å |
| 28 | L | 92 | Very high | 85.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 174 | -78.4 | -169.7 | 0 | 0 | 0 | 111.8 | D24 K25 T30 I31 L32 L50 Y51 L54 L240 | D24-L28 PolarHBondContact O-N 3.01Å; K25-L28 PolarHBondContact O-N 2.67Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 3.37Å; L28-I31 PolarHBondContact O-N 3.01Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 PolarHBondContact O-N 3.08Å; L28-L50 HydrophobicContact CD1-CB 3.92Å; L28-L50 HydrophobicContact CD2-CB 3.92Å; L28-L50 HydrophobicContact CD2-CD1 3.76Å; L28-Y51 HydrophobicContact CB-CE1 4.25Å; L28-Y51 HydrophobicContact CB-CE2 4.12Å; L28-Y51 HydrophobicContact CD1-CD1 4.41Å; L28-Y51 HydrophobicContact CD1-CD2 4.23Å; L28-Y51 HydrophobicContact CD1-CE2 4.43Å; L28-Y51 HydrophobicContact CD1-CG 4.24Å; L28-Y51 PolarHBondContact O-OH 3.44Å; L28-L54 HydrophobicContact CD1-CD1 3.34Å; L28-L54 HydrophobicContact CD1-CG 4.01Å; L28-L54 HydrophobicContact CG-CD1 3.94Å; L28-L240 HydrophobicContact CD2-CD2 3.93Å; L28-L240 HydrophobicContact CG-CD2 4.1Å |
| 29 | N | 92.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | 173.2 | -88 | 16.5 | 0 | 0 | 0 | 111.8 | E15 L16 G18 K25 F26 L27 I31 L32 I33 Y51 P59 | E15-N29 PolarHBondContact O-ND2 2.62Å; L16-N29 WeakPolarHBondContact O-CB 3.33Å; L16-N29 VanDerWaalsContact O-CG 3.27Å; L16-N29 PolarHBondContact O-ND2 2.92Å; G18-N29 WeakPolarHBondContact CA-ND2 3.31Å; G18-N29 PolarHBondContact N-ND2 2.76Å; K25-N29 VanDerWaalsContact O-CB 3.24Å; K25-N29 WeakPolarHBondContact O-CB 3.43Å; K25-N29 PolarHBondContact O-N 2.83Å; F26-N29 WeakPolarHBondContact O-CB 3.42Å; F26-N29 PolarHBondContact O-N 3.36Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.42Å; N29-I31 PolarHBondContact O-N 3.17Å; N29-L32 PolarHBondContact O-N 3.43Å; N29-I33 VanDerWaalsContact O-CG1 3.31Å; N29-I33 WeakPolarHBondContact O-CG1 3.27Å; N29-I33 PolarHBondContact O-N 2.86Å; N29-Y51 VanDerWaalsContact CA-OH 3.23Å; N29-Y51 WeakPolarHBondContact CA-OH 3.44Å; N29-Y51 PolarHBondContact N-OH 3.15Å; N29-Y51 VanDerWaalsContact OD1-CE1 3.31Å; N29-Y51 WeakPolarHBondContact OD1-CE1 3.37Å; N29-Y51 PolarHBondContact OD1-OH 3.23Å; N29-P59 WeakPolarHBondContact OD1-CD 3.31Å |
| 30 | T | 92.3 | Very high | 88.5 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -46 | 174.1 | -66.9 | 0 | 0 | 0 | 0 | 111.3 | F26 L27 L28 F34 V216 L217 L218 | F26-T30 WeakPolarHBondContact O-CB 3.43Å; F26-T30 PolarHBondContact O-N 3.27Å; F26-T30 PolarHBondContact O-OG1 2.95Å; L27-T30 WeakPolarHBondContact O-CB 3.24Å; L27-T30 PolarHBondContact O-N 3.25Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 3.37Å; T30-F34 WeakPolarHBondContact O-CB 3.31Å; T30-F34 PolarHBondContact O-N 3.23Å; T30-V216 HydrophobicContact CG2-CB 3.63Å; T30-V216 HydrophobicContact CG2-CG1 4.4Å; T30-V216 HydrophobicContact CG2-CG2 3.83Å; T30-V216 WeakPolarHBondContact O-CG2 3.49Å; T30-L217 HydrophobicContact CG2-CB 4.14Å; T30-L217 HydrophobicContact CG2-CG 4.43Å; T30-L218 HydrophobicContact CG2-CD1 4.43Å; T30-L218 HydrophobicContact CG2-CG 4.16Å |
| 31 | I | 94.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.9 | -68.5 | 164.6 | 0 | 0 | 0 | 111 | L27 L28 N29 I33 F34 V35 V47 L218 L240 I244 I259 M263 | L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 3.08Å; L28-I31 PolarHBondContact O-N 3.01Å; N29-I31 PolarHBondContact O-N 3.17Å; I31-I33 PolarHBondContact O-N 3.22Å; I31-F34 PolarHBondContact O-N 2.91Å; I31-V35 HydrophobicContact CG2-CG2 4.18Å; I31-V35 WeakPolarHBondContact O-CB 3.27Å; I31-V35 VanDerWaalsContact O-CG2 3.24Å; I31-V35 WeakPolarHBondContact O-CG2 3.46Å; I31-V35 PolarHBondContact O-N 3.06Å; I31-V47 HydrophobicContact CG2-CG1 3.98Å; I31-V47 HydrophobicContact CG2-CG2 3.76Å; I31-L218 HydrophobicContact CB-CD1 4.41Å; I31-L218 HydrophobicContact CG1-CD1 3.75Å; I31-L240 HydrophobicContact CD1-CD1 4.18Å; I31-L240 HydrophobicContact CD1-CD2 4.34Å; I31-I244 HydrophobicContact CD1-CD1 4.19Å; I31-I259 HydrophobicContact CG2-CD1 4.41Å; I31-I259 HydrophobicContact CG2-CG2 3.99Å; I31-M263 HydrophobicContact CD1-CE 3.62Å; I31-M263 HydrophobicContact CG2-CE 4.44Å; I31-M263 HydrophobicContact CG2-SD 4.34Å |
| 32 | L | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | -179.2 | -177.8 | 59.2 | 0 | 0 | 0 | 111.8 | L28 N29 L36 V47 I48 Y51 P58 C62 | L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 PolarHBondContact O-N 3.08Å; N29-L32 PolarHBondContact O-N 3.43Å; L32-L36 HydrophobicContact CG-CD1 4.39Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 WeakPolarHBondContact O-CG 3.07Å; L32-L36 PolarHBondContact O-N 2.9Å; L32-V47 HydrophobicContact CB-CG1 3.92Å; L32-V47 HydrophobicContact CD1-CG1 4.06Å; L32-I48 HydrophobicContact CD1-CG1 4.24Å; L32-Y51 HydrophobicContact CD2-CE2 4Å; L32-P58 HydrophobicContact CD2-CB 4.15Å; L32-C62 HydrophobicContact CD2-CB 3.53Å; L32-C62 HydrophobicContact CG-CB 4Å |
| 33 | I | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 175.3 | -69.9 | 166.3 | 0 | 0 | 0 | 110.7 | L16 N29 I31 V35 L36 R37 L213 P214 V216 | L16-I33 HydrophobicContact CB-CD1 4.05Å; N29-I33 VanDerWaalsContact O-CG1 3.31Å; N29-I33 WeakPolarHBondContact O-CG1 3.27Å; N29-I33 PolarHBondContact O-N 2.86Å; I31-I33 PolarHBondContact O-N 3.22Å; I33-V35 PolarHBondContact O-N 3.41Å; I33-L36 PolarHBondContact O-N 3.42Å; I33-R37 HydrophobicContact CG2-CG 4.32Å; I33-R37 WeakPolarHBondContact O-CB 3.38Å; I33-R37 WeakPolarHBondContact O-CG 3.29Å; I33-R37 PolarHBondContact O-N 2.91Å; I33-L213 HydrophobicContact CG2-CB 3.99Å; I33-L213 HydrophobicContact CG2-CD1 4.49Å; I33-P214 HydrophobicContact CD1-CG 4.36Å; I33-P214 WeakPolarHBondContact CG2-O 3.45Å; I33-V216 HydrophobicContact CB-CG1 3.99Å; I33-V216 HydrophobicContact CD1-CG1 4.26Å; I33-V216 HydrophobicContact CG2-CG1 3.63Å |
| 34 | F | 95.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.013 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 178.5 | 178.9 | -104.7 | 0 | 0 | 0 | 111.8 | T30 I31 L36 R37 K38 Y40 V216 L218 C254 I259 | T30-F34 WeakPolarHBondContact O-CB 3.31Å; T30-F34 PolarHBondContact O-N 3.23Å; I31-F34 PolarHBondContact O-N 2.91Å; F34-L36 VanDerWaalsContact C-N 3.33Å; F34-L36 PolarHBondContact O-N 2.92Å; F34-R37 PolarHBondContact O-N 3.44Å; F34-K38 HydrophobicContact CD1-CG 4.37Å; F34-K38 HydrophobicContact CD2-CG 4.1Å; F34-K38 HydrophobicContact CE1-CG 4.03Å; F34-K38 HydrophobicContact CE2-CD 4.19Å; F34-K38 HydrophobicContact CE2-CG 3.75Å; F34-K38 HydrophobicContact CG-CG 4.4Å; F34-K38 HydrophobicContact CZ-CD 4.34Å; F34-K38 HydrophobicContact CZ-CG 3.7Å; F34-K38 WeakPolarHBondContact O-CB 3.48Å; F34-K38 WeakPolarHBondContact O-CG 3.19Å; F34-K38 PolarHBondContact O-N 3.44Å; F34-Y40 HydrophobicContact CE1-CD2 4.28Å; F34-Y40 AromaticContact CE1-CE2 3.79Å; F34-Y40 HydrophobicContact CE1-CE2 3.79Å; F34-Y40 HydrophobicContact CZ-CE2 4.33Å; F34-V216 HydrophobicContact CB-CG2 3.76Å; F34-V216 HydrophobicContact CD2-CG2 4.36Å; F34-L218 HydrophobicContact CB-CB 4.15Å; F34-L218 HydrophobicContact CB-CD1 3.98Å; F34-L218 HydrophobicContact CD1-CB 4.07Å; F34-L218 HydrophobicContact CD1-CD1 3.95Å; F34-L218 HydrophobicContact CD2-CB 3.57Å; F34-L218 HydrophobicContact CE1-CB 4.35Å; F34-L218 HydrophobicContact CE2-CB 3.88Å; F34-L218 HydrophobicContact CG-CB 3.66Å; F34-L218 HydrophobicContact CG-CD1 3.98Å; F34-L218 HydrophobicContact CG-CG 4.47Å; F34-L218 HydrophobicContact CZ-CB 4.27Å; F34-C254 HydrophobicContact CE1-CB 3.93Å; F34-C254 HydrophobicContact CZ-CB 3.69Å; F34-C254 WeakPolarHBondContact CZ-O 3.42Å; F34-I259 HydrophobicContact CD1-CD1 4.03Å; F34-I259 HydrophobicContact CD1-CG1 4.32Å; F34-I259 HydrophobicContact CE1-CD1 4.17Å; F34-I259 HydrophobicContact CE1-CG1 4.28Å |
| 35 | V | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 179 | 164.2 | 0 | 0 | 0 | 0 | 111.3 | I31 I33 G39 Y40 V43 T44 V47 I259 | I31-V35 HydrophobicContact CG2-CG2 4.18Å; I31-V35 WeakPolarHBondContact O-CB 3.27Å; I31-V35 VanDerWaalsContact O-CG2 3.24Å; I31-V35 WeakPolarHBondContact O-CG2 3.46Å; I31-V35 PolarHBondContact O-N 3.06Å; I33-V35 PolarHBondContact O-N 3.41Å; V35-G39 PolarHBondContact O-N 2.97Å; V35-G39 VanDerWaalsContact O-N 3.11Å; V35-Y40 WeakPolarHBondContact CG1-O 3.44Å; V35-Y40 PolarHBondContact O-N 3.08Å; V35-V43 HydrophobicContact CG1-CG2 3.86Å; V35-V43 HydrophobicContact CG2-CG2 3.88Å; V35-T44 WeakPolarHBondContact CG1-OG1 3.3Å; V35-V47 HydrophobicContact CG2-CG2 4.3Å; V35-I259 HydrophobicContact CG2-CG1 4.23Å; V35-I259 HydrophobicContact CG2-CG2 3.89Å |
| 36 | L | 94.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 5% | 0.047 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -55 | 173.9 | -81.3 | 170.1 | 0 | 0 | 0 | 111.2 | L32 I33 F34 K38 G39 C62 C65 C66 V210 L213 | L32-L36 HydrophobicContact CG-CD1 4.39Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 WeakPolarHBondContact O-CG 3.07Å; L32-L36 PolarHBondContact O-N 2.9Å; I33-L36 PolarHBondContact O-N 3.42Å; F34-L36 VanDerWaalsContact C-N 3.33Å; F34-L36 PolarHBondContact O-N 2.92Å; L36-K38 PolarHBondContact O-N 2.9Å; L36-G39 PolarHBondContact O-N 3.12Å; L36-C62 HydrophobicContact CD1-CB 3.85Å; L36-C65 HydrophobicContact CD1-CB 4.12Å; L36-C65 HydrophobicContact CD2-CB 4.14Å; L36-C66 HydrophobicContact CD2-CB 4.38Å; L36-C66 VanDerWaalsContact CD2-SG 3.56Å; L36-V210 HydrophobicContact CB-CG1 3.97Å; L36-V210 HydrophobicContact CD2-CG2 4.32Å; L36-V210 WeakPolarHBondContact O-CG1 3.35Å; L36-L213 HydrophobicContact CB-CD1 3.91Å; L36-L213 HydrophobicContact CD1-CD1 3.96Å |
| 37 | R | 93.9 | Very high | 91.7 | Very high | 68 Ų | 68 | 28.4 Ų | 28.4 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.7 | -33.1 | -177.9 | -72.3 | -176.6 | 76.3 | -131.3 | 2.4 | 113.4 | I33 F34 L213 P214 D219 | I33-R37 HydrophobicContact CG2-CG 4.32Å; I33-R37 WeakPolarHBondContact O-CB 3.38Å; I33-R37 WeakPolarHBondContact O-CG 3.29Å; I33-R37 PolarHBondContact O-N 2.91Å; F34-R37 PolarHBondContact O-N 3.44Å; R37-L213 WeakPolarHBondContact CD-O 3.41Å; R37-L213 HydrophobicContact CG-CB 3.77Å; R37-L213 HydrophobicContact CG-CD1 4.36Å; R37-L213 PolarHBondContact NE-O 2.87Å; R37-L213 VanDerWaalsContact NE-O 3.16Å; R37-P214 VanDerWaalsContact CD-O 3.29Å; R37-P214 WeakPolarHBondContact CD-O 3.38Å; R37-D219 IonicContact NH1-OD1 2.78Å; R37-D219 PolarHBondContact NH1-OD1 3.13Å; R37-D219 VanDerWaalsContact NH1-OD1 3.16Å; R37-D219 IonicContact NH1-OD2 3.24Å; R37-D219 PolarHBondContact NH1-OD2 2.95Å |
| 38 | K | 93.7 | Very high | 91.6 | Very high | 97 Ų | 97 | 30.8 Ų | 30.8 | 42% | 0.422 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -85 | -7.4 | 176.9 | -62.9 | -59 | -179.9 | -171.5 | 0 | 113.8 | F34 L36 Y40 D219 | F34-K38 HydrophobicContact CD1-CG 4.37Å; F34-K38 HydrophobicContact CD2-CG 4.1Å; F34-K38 HydrophobicContact CE1-CG 4.03Å; F34-K38 HydrophobicContact CE2-CD 4.19Å; F34-K38 HydrophobicContact CE2-CG 3.75Å; F34-K38 HydrophobicContact CG-CG 4.4Å; F34-K38 HydrophobicContact CZ-CD 4.34Å; F34-K38 HydrophobicContact CZ-CG 3.7Å; F34-K38 WeakPolarHBondContact O-CB 3.48Å; F34-K38 WeakPolarHBondContact O-CG 3.19Å; F34-K38 PolarHBondContact O-N 3.44Å; L36-K38 PolarHBondContact O-N 2.9Å; K38-Y40 VanDerWaalsContact C-N 3.28Å; K38-Y40 HydrophobicContact CB-CD1 3.81Å; K38-Y40 HydrophobicContact CB-CD2 3.76Å; K38-Y40 HydrophobicContact CB-CE1 3.7Å; K38-Y40 HydrophobicContact CB-CE2 3.64Å; K38-Y40 HydrophobicContact CB-CG 3.84Å; K38-Y40 HydrophobicContact CG-CD2 4.42Å; K38-Y40 HydrophobicContact CG-CE2 3.96Å; K38-Y40 PolarHBondContact O-N 3.39Å; K38-D219 WeakPolarHBondContact CE-OD1 3.23Å; K38-D219 IonicContact NZ-OD1 3.66Å |
| 39 | G | 91 | Very high | 91.4 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 25.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V35 L36 T41 | V35-G39 PolarHBondContact O-N 2.97Å; V35-G39 VanDerWaalsContact O-N 3.11Å; L36-G39 PolarHBondContact O-N 3.12Å; G39-T41 PolarHBondContact O-N 3.38Å |
| 40 | Y | 92.7 | Very high | 91.2 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 18% | 0.184 | 18% | 0.181 | C | C | . | . | trans | -77.5 | 68.5 | 180 | -66.7 | -13.9 | 0 | 0 | 0 | 111.1 | F34 V35 K38 S42 V43 T44 C254 E256 | F34-Y40 HydrophobicContact CE1-CD2 4.28Å; F34-Y40 AromaticContact CE1-CE2 3.79Å; F34-Y40 HydrophobicContact CE1-CE2 3.79Å; F34-Y40 HydrophobicContact CZ-CE2 4.33Å; V35-Y40 WeakPolarHBondContact CG1-O 3.44Å; V35-Y40 PolarHBondContact O-N 3.08Å; K38-Y40 VanDerWaalsContact C-N 3.28Å; K38-Y40 HydrophobicContact CB-CD1 3.81Å; K38-Y40 HydrophobicContact CB-CD2 3.76Å; K38-Y40 HydrophobicContact CB-CE1 3.7Å; K38-Y40 HydrophobicContact CB-CE2 3.64Å; K38-Y40 HydrophobicContact CB-CG 3.84Å; K38-Y40 HydrophobicContact CG-CD2 4.42Å; K38-Y40 HydrophobicContact CG-CE2 3.96Å; K38-Y40 PolarHBondContact O-N 3.39Å; Y40-S42 VanDerWaalsContact C-N 3.26Å; Y40-S42 PolarHBondContact O-N 2.78Å; Y40-V43 WeakPolarHBondContact O-CG2 3.07Å; Y40-T44 PolarHBondContact O-OG1 3.25Å; Y40-T44 VanDerWaalsContact O-OG1 3.1Å; Y40-C254 PolarHBondContact OH-O 3.39Å; Y40-E256 VanDerWaalsContact CA-OE1 3.24Å; Y40-E256 WeakPolarHBondContact CA-OE1 3.38Å; Y40-E256 WeakPolarHBondContact CB-OE1 3.48Å; Y40-E256 HydrophobicContact CD1-CB 3.77Å; Y40-E256 HydrophobicContact CD1-CG 4.29Å; Y40-E256 HydrophobicContact CD2-CB 3.81Å; Y40-E256 HydrophobicContact CD2-CG 4.32Å; Y40-E256 HydrophobicContact CE1-CB 4.08Å; Y40-E256 HydrophobicContact CE2-CB 4.12Å; Y40-E256 VanDerWaalsContact CE2-N 3.27Å; Y40-E256 HydrophobicContact CG-CB 3.63Å; Y40-E256 HydrophobicContact CG-CG 3.9Å | ||
| 41 | T | 85.7 | Confident | 91.1 | Very high | 65 Ų | 65 | 35.4 Ų | 35.4 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -67 | -25.7 | -172.3 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | G39 V43 T44 V69 L70 E256 | G39-T41 PolarHBondContact O-N 3.38Å; T41-V43 VanDerWaalsContact C-N 3.35Å; T41-V43 PolarHBondContact O-N 2.77Å; T41-T44 PolarHBondContact O-N 2.91Å; T41-T44 PolarHBondContact O-OG1 2.74Å; T41-V69 HydrophobicContact CG2-CG1 4.09Å; T41-L70 HydrophobicContact CG2-CD2 3.81Å; T41-E256 PolarHBondContact N-OE1 3.12Å |
| 42 | S | 86.4 | Confident | 90.7 | Very high | 78 Ų | 78 | 39.1 Ų | 39.1 | 55% | 0.545 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -72.4 | -27.5 | -174.2 | 77.4 | 0 | 0 | 0 | 0 | 113.4 | Y40 E46 E256 | Y40-S42 VanDerWaalsContact C-N 3.26Å; Y40-S42 PolarHBondContact O-N 2.78Å; S42-E46 VanDerWaalsContact O-OE2 3.07Å; S42-E256 VanDerWaalsContact CB-OE1 3.3Å; S42-E256 WeakPolarHBondContact CB-OE1 3.43Å; S42-E256 PolarHBondContact N-OE1 3.27Å; S42-E256 PolarHBondContact OG-OE1 3Å |
| 43 | V | 90.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -98.2 | -4.5 | 179.6 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | V35 Y40 T41 K45 E46 V47 E256 I259 F260 | V35-V43 HydrophobicContact CG1-CG2 3.86Å; V35-V43 HydrophobicContact CG2-CG2 3.88Å; Y40-V43 WeakPolarHBondContact O-CG2 3.07Å; T41-V43 VanDerWaalsContact C-N 3.35Å; T41-V43 PolarHBondContact O-N 2.77Å; V43-K45 VanDerWaalsContact C-N 3.26Å; V43-K45 PolarHBondContact O-N 2.95Å; V43-E46 VanDerWaalsContact C-OE2 3.24Å; V43-E46 VanDerWaalsContact CA-OE2 3.26Å; V43-E46 WeakPolarHBondContact CA-OE2 3.33Å; V43-E46 PolarHBondContact O-N 2.81Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 3.4Å; V43-V47 VanDerWaalsContact O-N 3.08Å; V43-E256 HydrophobicContact CB-CG 4.47Å; V43-E256 HydrophobicContact CG1-CG 3.64Å; V43-E256 HydrophobicContact CG2-CG 4.02Å; V43-I259 HydrophobicContact CB-CG2 4.35Å; V43-I259 HydrophobicContact CG2-CB 4.37Å; V43-I259 HydrophobicContact CG2-CG2 3.94Å; V43-F260 HydrophobicContact CG1-CB 3.86Å; V43-F260 HydrophobicContact CG1-CD2 4.16Å |
| 44 | T | 88.6 | Confident | 89.5 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -38 | -174.4 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | V35 Y40 T41 I48 C66 | V35-T44 WeakPolarHBondContact CG1-OG1 3.3Å; Y40-T44 PolarHBondContact O-OG1 3.25Å; Y40-T44 VanDerWaalsContact O-OG1 3.1Å; T41-T44 PolarHBondContact O-N 2.91Å; T41-T44 PolarHBondContact O-OG1 2.74Å; T44-I48 HydrophobicContact CG2-CD1 3.87Å; T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.42Å; T44-I48 PolarHBondContact O-N 3.19Å; T44-C66 HydrophobicContact CG2-CB 3.91Å; T44-C66 WeakPolarHBondContact CG2-SG 3.49Å |
| 45 | K | 86.1 | Confident | 88.9 | Confident | 130 Ų | 130 | 52.1 Ų | 52.1 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.2 | -43.4 | -179.6 | -178 | -177.8 | 175 | -171.7 | 0 | 111.3 | V43 I48 Q49 | V43-K45 VanDerWaalsContact C-N 3.26Å; V43-K45 PolarHBondContact O-N 2.95Å; K45-I48 PolarHBondContact O-N 2.72Å; K45-Q49 WeakPolarHBondContact O-CB 3.5Å; K45-Q49 VanDerWaalsContact O-CG 3.28Å; K45-Q49 WeakPolarHBondContact O-CG 3.27Å; K45-Q49 PolarHBondContact O-N 3.18Å |
| 46 | E | 88.8 | Confident | 88.4 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 179.9 | -68.9 | 69.6 | -163 | 0 | 0 | 110.1 | S42 V43 Q49 L50 F260 | S42-E46 VanDerWaalsContact O-OE2 3.07Å; V43-E46 VanDerWaalsContact C-OE2 3.24Å; V43-E46 VanDerWaalsContact CA-OE2 3.26Å; V43-E46 WeakPolarHBondContact CA-OE2 3.33Å; V43-E46 PolarHBondContact O-N 2.81Å; E46-Q49 PolarHBondContact O-N 2.74Å; E46-L50 PolarHBondContact O-N 3.23Å; E46-F260 HydrophobicContact CG-CE2 4.43Å |
| 47 | V | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | I31 L32 V35 V43 Q49 L50 Y51 I259 M263 | I31-V47 HydrophobicContact CG2-CG1 3.98Å; I31-V47 HydrophobicContact CG2-CG2 3.76Å; L32-V47 HydrophobicContact CB-CG1 3.92Å; L32-V47 HydrophobicContact CD1-CG1 4.06Å; V35-V47 HydrophobicContact CG2-CG2 4.3Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 3.4Å; V43-V47 VanDerWaalsContact O-N 3.08Å; V47-Q49 VanDerWaalsContact C-N 3.31Å; V47-Q49 PolarHBondContact O-N 3.18Å; V47-L50 PolarHBondContact O-N 3.49Å; V47-Y51 WeakPolarHBondContact O-CD2 3.49Å; V47-I259 HydrophobicContact CG2-CG2 4.15Å; V47-M263 HydrophobicContact CB-SD 4.4Å; V47-M263 HydrophobicContact CG2-CG 4.14Å; V47-M263 HydrophobicContact CG2-SD 3.74Å |
| 48 | I | 89.5 | Confident | 87.9 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.8 | -72.4 | 170.5 | 0 | 0 | 0 | 111.1 | L32 T44 K45 L50 Y51 P58 C66 | L32-I48 HydrophobicContact CD1-CG1 4.24Å; T44-I48 HydrophobicContact CG2-CD1 3.87Å; T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.42Å; T44-I48 PolarHBondContact O-N 3.19Å; K45-I48 PolarHBondContact O-N 2.72Å; I48-L50 VanDerWaalsContact C-N 3.28Å; I48-L50 PolarHBondContact O-N 3.22Å; I48-Y51 WeakPolarHBondContact O-CB 3.39Å; I48-Y51 PolarHBondContact O-N 3.06Å; I48-P58 HydrophobicContact CG2-CG 4.43Å; I48-C66 HydrophobicContact CD1-CB 4.39Å |
| 49 | Q | 88.4 | Confident | 87.8 | Confident | 102 Ų | 102 | 55.4 Ų | 55.4 | 48% | 0.477 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -33.7 | 179.7 | -76.8 | 176.7 | -15.3 | 0 | 0 | 112.6 | K45 E46 V47 Y51 S52 | K45-Q49 WeakPolarHBondContact O-CB 3.5Å; K45-Q49 VanDerWaalsContact O-CG 3.28Å; K45-Q49 WeakPolarHBondContact O-CG 3.27Å; K45-Q49 PolarHBondContact O-N 3.18Å; E46-Q49 PolarHBondContact O-N 2.74Å; V47-Q49 VanDerWaalsContact C-N 3.31Å; V47-Q49 PolarHBondContact O-N 3.18Å; Q49-Y51 PolarHBondContact O-N 2.85Å; Q49-S52 WeakPolarHBondContact O-CB 3.5Å; Q49-S52 PolarHBondContact O-N 3.04Å; Q49-S52 VanDerWaalsContact O-N 3.11Å; Q49-S52 PolarHBondContact O-OG 3.34Å |
| 50 | L | 88.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -25.3 | 177.9 | -74.3 | -170.2 | 0 | 0 | 0 | 114.6 | L28 E46 V47 I48 S52 H53 L54 M263 Y266 N267 | L28-L50 HydrophobicContact CD1-CB 3.92Å; L28-L50 HydrophobicContact CD2-CB 3.92Å; L28-L50 HydrophobicContact CD2-CD1 3.76Å; E46-L50 PolarHBondContact O-N 3.23Å; V47-L50 PolarHBondContact O-N 3.49Å; I48-L50 VanDerWaalsContact C-N 3.28Å; I48-L50 PolarHBondContact O-N 3.22Å; L50-S52 PolarHBondContact O-N 3.49Å; L50-H53 WeakPolarHBondContact O-CB 3.19Å; L50-H53 PolarHBondContact O-N 3Å; L50-L54 PolarHBondContact O-N 2.64Å; L50-M263 HydrophobicContact CD1-CB 4.28Å; L50-M263 HydrophobicContact CD1-CE 3.73Å; L50-M263 HydrophobicContact CD1-CG 4.28Å; L50-M263 HydrophobicContact CD1-SD 3.18Å; L50-M263 WeakPolarHBondContact CD1-SD 3.41Å; L50-M263 HydrophobicContact CG-SD 4.24Å; L50-Y266 HydrophobicContact CD1-CD1 3.98Å; L50-Y266 HydrophobicContact CD2-CD1 3.91Å; L50-Y266 HydrophobicContact CD2-CE1 4.43Å; L50-N267 VanDerWaalsContact CD2-CG 3.42Å; L50-N267 WeakPolarHBondContact CD2-ND2 2.98Å; L50-N267 WeakPolarHBondContact CD2-OD1 3.31Å |
| 51 | Y | 89.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.2 | -35.5 | 175.4 | -80.8 | -92.5 | 0 | 0 | 0 | 111.8 | L28 N29 L32 V47 I48 Q49 H53 L54 S55 S56 P58 | L28-Y51 HydrophobicContact CB-CE1 4.25Å; L28-Y51 HydrophobicContact CB-CE2 4.12Å; L28-Y51 HydrophobicContact CD1-CD1 4.41Å; L28-Y51 HydrophobicContact CD1-CD2 4.23Å; L28-Y51 HydrophobicContact CD1-CE2 4.43Å; L28-Y51 HydrophobicContact CD1-CG 4.24Å; L28-Y51 PolarHBondContact O-OH 3.44Å; N29-Y51 VanDerWaalsContact CA-OH 3.23Å; N29-Y51 WeakPolarHBondContact CA-OH 3.44Å; N29-Y51 PolarHBondContact N-OH 3.15Å; N29-Y51 VanDerWaalsContact OD1-CE1 3.31Å; N29-Y51 WeakPolarHBondContact OD1-CE1 3.37Å; N29-Y51 PolarHBondContact OD1-OH 3.23Å; L32-Y51 HydrophobicContact CD2-CE2 4Å; V47-Y51 WeakPolarHBondContact O-CD2 3.49Å; I48-Y51 WeakPolarHBondContact O-CB 3.39Å; I48-Y51 PolarHBondContact O-N 3.06Å; Q49-Y51 PolarHBondContact O-N 2.85Å; Y51-H53 VanDerWaalsContact C-N 3.29Å; Y51-H53 PolarHBondContact O-N 3.48Å; Y51-L54 CarbonylContact O-C 3.24Å; Y51-L54 PolarHBondContact O-N 3.01Å; Y51-L54 VanDerWaalsContact O-N 3.14Å; Y51-S55 PolarHBondContact O-N 3.46Å; Y51-S56 CarbonylContact C-O 3.3Å; Y51-S56 VanDerWaalsContact C-O 3.3Å; Y51-S56 WeakPolarHBondContact CB-O 3.31Å; Y51-S56 CarbonylContact O-C 3.58Å; Y51-S56 PolarHBondContact O-N 2.95Å; Y51-P58 HydrophobicContact CD1-CB 4.16Å; Y51-P58 HydrophobicContact CD2-CB 3.85Å; Y51-P58 HydrophobicContact CE1-CB 4.18Å; Y51-P58 HydrophobicContact CE2-CB 3.86Å; Y51-P58 HydrophobicContact CG-CB 3.98Å; Y51-P58 HydrophobicContact CG-CG 4.46Å |
| 52 | S | 86.2 | Confident | 88 | Confident | 80 Ų | 80 | 52.6 Ų | 52.6 | 56% | 0.559 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.7 | -34.7 | 176.6 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | Q49 L50 L54 S55 | Q49-S52 WeakPolarHBondContact O-CB 3.5Å; Q49-S52 PolarHBondContact O-N 3.04Å; Q49-S52 VanDerWaalsContact O-N 3.11Å; Q49-S52 PolarHBondContact O-OG 3.34Å; L50-S52 PolarHBondContact O-N 3.49Å; S52-L54 PolarHBondContact O-N 3.28Å; S52-S55 PolarHBondContact O-N 2.96Å; S52-S55 VanDerWaalsContact O-N 3.07Å |
| 53 | H | 82 | Confident | 88.3 | Confident | 120 Ų | 120 | 51.5 Ų | 51.5 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.1 | -28.5 | 176.1 | -65 | 179.8 | 0 | 0 | 0 | 112.2 | L50 Y51 S55 N267 | L50-H53 WeakPolarHBondContact O-CB 3.19Å; L50-H53 PolarHBondContact O-N 3Å; Y51-H53 VanDerWaalsContact C-N 3.29Å; Y51-H53 PolarHBondContact O-N 3.48Å; H53-S55 VanDerWaalsContact C-N 3.32Å; H53-N267 PolarHBondContact CE1-OD1 3.19Å; H53-N267 PolarHBondContact ND1-OD1 3.04Å |
| 54 | L | 81.6 | Confident | 88.5 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 12.1 | 174.5 | -64.7 | -171.1 | 0 | 0 | 0 | 113.8 | D24 L28 L50 Y51 S52 S56 Y266 | D24-L54 HydrophobicContact CB-CD1 3.69Å; D24-L54 HydrophobicContact CB-CD2 4.09Å; L28-L54 HydrophobicContact CD1-CD1 3.34Å; L28-L54 HydrophobicContact CD1-CG 4.01Å; L28-L54 HydrophobicContact CG-CD1 3.94Å; L50-L54 PolarHBondContact O-N 2.64Å; Y51-L54 CarbonylContact O-C 3.24Å; Y51-L54 PolarHBondContact O-N 3.01Å; Y51-L54 VanDerWaalsContact O-N 3.14Å; S52-L54 PolarHBondContact O-N 3.28Å; L54-S56 PolarHBondContact O-N 3.22Å; L54-S56 PolarHBondContact O-OG 3.03Å; L54-Y266 VanDerWaalsContact CD2-OH 3.31Å; L54-Y266 WeakPolarHBondContact CD2-OH 3.46Å |
| 55 | S | 82.2 | Confident | 88.7 | Confident | 121 Ų | 121 | 51.4 Ų | 51.4 | 85% | 0.846 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 31.5 | -171.4 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | Y51 S52 H53 | Y51-S55 PolarHBondContact O-N 3.46Å; S52-S55 PolarHBondContact O-N 2.96Å; S52-S55 VanDerWaalsContact O-N 3.07Å; H53-S55 VanDerWaalsContact C-N 3.32Å |
| 56 | S | 84.9 | Confident | 89 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 22% | 0.217 | 25% | 0.25 | C | S | . | . | trans | -118 | 161 | -173.3 | -70.2 | 0 | 0 | 0 | 0 | 110 | Y51 L54 | Y51-S56 CarbonylContact C-O 3.3Å; Y51-S56 VanDerWaalsContact C-O 3.3Å; Y51-S56 WeakPolarHBondContact CB-O 3.31Å; Y51-S56 CarbonylContact O-C 3.58Å; Y51-S56 PolarHBondContact O-N 2.95Å; L54-S56 PolarHBondContact O-N 3.22Å; L54-S56 PolarHBondContact O-OG 3.03Å | ||
| 57 | K | 88.4 | Confident | 89.1 | Confident | 180 Ų | 180 | 45.1 Ų | 45.1 | 78% | 0.783 | 26% | 0.256 | S | S | * | . | trans | -107.6 | 141.2 | 170.9 | -66 | -177.3 | -179.3 | 179.8 | 0 | 109.4 | ||||
| 58 | P | 90 | Very high | 89.3 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | trans | -62.2 | 149.8 | 170.7 | 27.7 | -35.4 | 0 | 0 | 0 | 110.6 | L32 I48 Y51 V63 | L32-P58 HydrophobicContact CD2-CB 4.15Å; I48-P58 HydrophobicContact CG2-CG 4.43Å; Y51-P58 HydrophobicContact CD1-CB 4.16Å; Y51-P58 HydrophobicContact CD2-CB 3.85Å; Y51-P58 HydrophobicContact CE1-CB 4.18Å; Y51-P58 HydrophobicContact CE2-CB 3.86Å; Y51-P58 HydrophobicContact CG-CB 3.98Å; Y51-P58 HydrophobicContact CG-CG 4.46Å; P58-V63 HydrophobicContact CB-CG2 3.65Å; P58-V63 HydrophobicContact CG-CG2 3.38Å | ||
| 59 | P | 90 | Very high | 89.4 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.032 | 25% | 0.247 | C | C | . | . | trans | -54.7 | 126.5 | 175.3 | -25.3 | 34.1 | 0 | 0 | 0 | 110.7 | L16 N29 F61 C62 V63 | L16-P59 HydrophobicContact CD2-CB 4.08Å; N29-P59 WeakPolarHBondContact OD1-CD 3.31Å; P59-F61 PolarHBondContact O-N 3.1Å; P59-C62 HydrophobicContact CB-CB 4.3Å; P59-C62 PolarHBondContact O-N 3.31Å; P59-V63 PolarHBondContact O-N 2.91Å; P59-V63 VanDerWaalsContact O-N 3.1Å | ||
| 60 | P | 90.6 | Very high | 89.4 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.2 | -37.8 | -176.1 | -28 | 35.4 | 0 | 0 | 0 | 113.4 | E15 C62 V63 W64 | E15-P60 VanDerWaalsContact OE1-CD 3.26Å; E15-P60 WeakPolarHBondContact OE1-CD 3.47Å; P60-C62 PolarHBondContact O-N 3.45Å; P60-V63 PolarHBondContact O-N 2.91Å; P60-W64 WeakPolarHBondContact O-CB 3.44Å; P60-W64 PolarHBondContact O-N 3.11Å |
| 61 | F | 92.1 | Very high | 89.4 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 177 | -171.5 | -100.6 | 0 | 0 | 0 | 112.5 | L16 P59 W64 C65 L107 Y117 I209 L213 | L16-F61 HydrophobicContact CD2-CD1 4.34Å; P59-F61 PolarHBondContact O-N 3.1Å; F61-W64 PolarHBondContact O-N 3.03Å; F61-C65 PolarHBondContact O-N 3.32Å; F61-C65 PolarHBondContact O-SG 3.26Å; F61-L107 HydrophobicContact CB-CD2 4.42Å; F61-L107 HydrophobicContact CD2-CD1 4.07Å; F61-L107 HydrophobicContact CD2-CD2 4.3Å; F61-Y117 HydrophobicContact CE1-CD1 4.01Å; F61-Y117 HydrophobicContact CE1-CE1 4.11Å; F61-Y117 HydrophobicContact CE1-CG 4.37Å; F61-Y117 AromaticContact CZ-CD1 3.76Å; F61-Y117 HydrophobicContact CZ-CD1 3.76Å; F61-Y117 HydrophobicContact CZ-CD2 4.47Å; F61-Y117 HydrophobicContact CZ-CE1 4.34Å; F61-Y117 AromaticContact CZ-CG 3.85Å; F61-Y117 HydrophobicContact CZ-CG 3.85Å; F61-I209 HydrophobicContact CE1-CG2 4.34Å; F61-I209 HydrophobicContact CZ-CG2 3.68Å; F61-L213 HydrophobicContact CD1-CD2 4.12Å; F61-L213 HydrophobicContact CE1-CD2 3.85Å |
| 62 | C | 92 | Very high | 89 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 176 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | L16 L32 L36 P59 P60 W64 C65 C66 | L16-C62 WeakPolarHBondContact CD2-SG 3.37Å; L32-C62 HydrophobicContact CD2-CB 3.53Å; L32-C62 HydrophobicContact CG-CB 4Å; L36-C62 HydrophobicContact CD1-CB 3.85Å; P59-C62 HydrophobicContact CB-CB 4.3Å; P59-C62 PolarHBondContact O-N 3.31Å; P60-C62 PolarHBondContact O-N 3.45Å; C62-W64 VanDerWaalsContact C-N 3.31Å; C62-W64 PolarHBondContact O-N 3.47Å; C62-C65 WeakPolarHBondContact O-CB 3.34Å; C62-C65 PolarHBondContact O-N 2.99Å; C62-C66 PolarHBondContact O-N 3.48Å; C62-C66 PolarHBondContact O-SG 3.26Å |
| 63 | V | 91.8 | Very high | 88.3 | Confident | 55 Ų | 55 | 40.2 Ų | 40.2 | 33% | 0.333 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -44 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | P58 P59 P60 C66 A67 | P58-V63 HydrophobicContact CB-CG2 3.65Å; P58-V63 HydrophobicContact CG-CG2 3.38Å; P59-V63 PolarHBondContact O-N 2.91Å; P59-V63 VanDerWaalsContact O-N 3.1Å; P60-V63 PolarHBondContact O-N 2.91Å; V63-C66 WeakPolarHBondContact O-CB 3.44Å; V63-C66 PolarHBondContact O-N 3.18Å; V63-A67 PolarHBondContact O-N 2.97Å |
| 64 | W | 94.7 | Very high | 87.4 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.3 | -178 | 90.3 | 0 | 0 | 0 | 111.4 | P60 F61 C62 C66 A67 A68 L100 V103 L107 L121 Y124 I209 | P60-W64 WeakPolarHBondContact O-CB 3.44Å; P60-W64 PolarHBondContact O-N 3.11Å; F61-W64 PolarHBondContact O-N 3.03Å; C62-W64 VanDerWaalsContact C-N 3.31Å; C62-W64 PolarHBondContact O-N 3.47Å; W64-C66 VanDerWaalsContact C-N 3.34Å; W64-C66 PolarHBondContact O-N 2.85Å; W64-A67 PolarHBondContact O-N 2.7Å; W64-A68 HydrophobicContact CE3-CB 4.39Å; W64-A68 HydrophobicContact CH2-CB 4.13Å; W64-A68 HydrophobicContact CZ2-CB 4.36Å; W64-A68 HydrophobicContact CZ3-CB 4.15Å; W64-A68 WeakPolarHBondContact O-CB 3.36Å; W64-A68 PolarHBondContact O-N 3.38Å; W64-L100 PolarHBondContact NE1-O 3.13Å; W64-V103 HydrophobicContact CB-CG1 4.44Å; W64-V103 HydrophobicContact CG-CG1 4.36Å; W64-L107 HydrophobicContact CB-CD1 3.6Å; W64-L107 HydrophobicContact CD2-CD1 4.02Å; W64-L107 HydrophobicContact CG-CD1 3.56Å; W64-L121 HydrophobicContact CE3-CD1 4.48Å; W64-L121 HydrophobicContact CH2-CD1 3.26Å; W64-L121 HydrophobicContact CZ2-CD1 3.54Å; W64-L121 HydrophobicContact CZ3-CD1 3.79Å; W64-Y124 AromaticContact CH2-CD1 3.65Å; W64-Y124 HydrophobicContact CH2-CD1 3.65Å; W64-Y124 AromaticContact CH2-CE1 3.95Å; W64-Y124 HydrophobicContact CH2-CE1 3.95Å; W64-Y124 HydrophobicContact CH2-CG 4.06Å; W64-Y124 AromaticContact CZ2-CD1 3.61Å; W64-Y124 HydrophobicContact CZ2-CD1 3.61Å; W64-Y124 AromaticContact CZ2-CE1 3.62Å; W64-Y124 HydrophobicContact CZ2-CE1 3.62Å; W64-Y124 HydrophobicContact CZ2-CG 4.47Å; W64-I209 HydrophobicContact CH2-CD1 3.59Å; W64-I209 HydrophobicContact CZ3-CD1 3.62Å; W64-I209 HydrophobicContact CZ3-CG2 4.39Å |
| 65 | C | 94 | Very high | 86 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 175.2 | -68.6 | 0 | 0 | 0 | 0 | 112 | L36 F61 C62 A67 A68 V69 V210 | L36-C65 HydrophobicContact CD1-CB 4.12Å; L36-C65 HydrophobicContact CD2-CB 4.14Å; F61-C65 PolarHBondContact O-N 3.32Å; F61-C65 PolarHBondContact O-SG 3.26Å; C62-C65 WeakPolarHBondContact O-CB 3.34Å; C62-C65 PolarHBondContact O-N 2.99Å; C65-A67 VanDerWaalsContact C-N 3.34Å; C65-A67 PolarHBondContact O-N 3.38Å; C65-A68 PolarHBondContact O-N 3.1Å; C65-V69 WeakPolarHBondContact O-CB 3.21Å; C65-V69 WeakPolarHBondContact O-CG2 3.45Å; C65-V69 PolarHBondContact O-N 3.48Å; C65-V210 HydrophobicContact CB-CG2 3.78Å |
| 66 | C | 91.5 | Very high | 84.5 | Confident | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | L36 T44 I48 C62 V63 W64 L70 | L36-C66 HydrophobicContact CD2-CB 4.38Å; L36-C66 VanDerWaalsContact CD2-SG 3.56Å; T44-C66 HydrophobicContact CG2-CB 3.91Å; T44-C66 WeakPolarHBondContact CG2-SG 3.49Å; I48-C66 HydrophobicContact CD1-CB 4.39Å; C62-C66 PolarHBondContact O-N 3.48Å; C62-C66 PolarHBondContact O-SG 3.26Å; V63-C66 WeakPolarHBondContact O-CB 3.44Å; V63-C66 PolarHBondContact O-N 3.18Å; W64-C66 VanDerWaalsContact C-N 3.34Å; W64-C66 PolarHBondContact O-N 2.85Å; C66-L70 VanDerWaalsContact O-CB 3.3Å; C66-L70 WeakPolarHBondContact O-CB 3.47Å; C66-L70 WeakPolarHBondContact O-CD1 3.5Å; C66-L70 WeakPolarHBondContact O-CG 3.33Å; C66-L70 PolarHBondContact O-N 3.25Å |
| 67 | A | 92.1 | Very high | 82.8 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 37% | 0.372 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66 | -38.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V63 W64 C65 F71 L100 | V63-A67 PolarHBondContact O-N 2.97Å; W64-A67 PolarHBondContact O-N 2.7Å; C65-A67 VanDerWaalsContact C-N 3.34Å; C65-A67 PolarHBondContact O-N 3.38Å; A67-F71 PolarHBondContact O-N 3.46Å; A67-L100 HydrophobicContact CB-CD2 3.67Å |
| 68 | A | 94.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W64 C65 L70 F71 L100 Y124 A206 | W64-A68 HydrophobicContact CE3-CB 4.39Å; W64-A68 HydrophobicContact CH2-CB 4.13Å; W64-A68 HydrophobicContact CZ2-CB 4.36Å; W64-A68 HydrophobicContact CZ3-CB 4.15Å; W64-A68 WeakPolarHBondContact O-CB 3.36Å; W64-A68 PolarHBondContact O-N 3.38Å; C65-A68 PolarHBondContact O-N 3.1Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.31Å; A68-F71 PolarHBondContact O-N 2.85Å; A68-L100 HydrophobicContact CB-CD2 4.2Å; A68-Y124 HydrophobicContact CB-CE2 4.14Å; A68-A206 HydrophobicContact CB-CB 3.79Å |
| 69 | V | 92.1 | Very high | 79.2 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -35.9 | 176.9 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | T41 C65 F71 A206 F207 V210 | T41-V69 HydrophobicContact CG2-CG1 4.09Å; C65-V69 WeakPolarHBondContact O-CB 3.21Å; C65-V69 WeakPolarHBondContact O-CG2 3.45Å; C65-V69 PolarHBondContact O-N 3.48Å; V69-F71 VanDerWaalsContact C-N 3.31Å; V69-A206 HydrophobicContact CG2-CB 3.86Å; V69-F207 HydrophobicContact CG1-CD1 4.49Å; V69-F207 HydrophobicContact CG1-CE1 3.72Å; V69-F207 HydrophobicContact CG1-CE2 3.89Å; V69-F207 HydrophobicContact CG1-CZ 3.38Å; V69-F207 HydrophobicContact CG2-CD1 4.29Å; V69-F207 HydrophobicContact CG2-CE1 4.26Å; V69-V210 HydrophobicContact CG2-CG2 3.93Å |
| 70 | L | 88.2 | Confident | 77.5 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.5 | -179.5 | -67.5 | 172.4 | 0 | 0 | 0 | 113.8 | T41 C66 A68 P72 K73 | T41-L70 HydrophobicContact CG2-CD2 3.81Å; C66-L70 VanDerWaalsContact O-CB 3.3Å; C66-L70 WeakPolarHBondContact O-CB 3.47Å; C66-L70 WeakPolarHBondContact O-CD1 3.5Å; C66-L70 WeakPolarHBondContact O-CG 3.33Å; C66-L70 PolarHBondContact O-N 3.25Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.31Å; L70-P72 CarbonylContact O-C 3.59Å; L70-P72 VanDerWaalsContact O-C 3.24Å; L70-K73 WeakPolarHBondContact O-CB 3.1Å; L70-K73 PolarHBondContact O-N 3.3Å |
| 71 | F | 89.4 | Confident | 75.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -81.5 | 139.5 | 179.2 | 176.8 | -92 | 0 | 0 | 0 | 111.6 | A67 A68 V69 W93 Q96 L97 L100 L199 L202 Q203 | A67-F71 PolarHBondContact O-N 3.46Å; A68-F71 PolarHBondContact O-N 2.85Å; V69-F71 VanDerWaalsContact C-N 3.31Å; F71-W93 HydrophobicContact CE2-CB 4.16Å; F71-W93 HydrophobicContact CE2-CG 4.5Å; F71-W93 HydrophobicContact CZ-CB 4.28Å; F71-Q96 HydrophobicContact CD2-CB 3.95Å; F71-Q96 HydrophobicContact CE2-CB 3.94Å; F71-L97 HydrophobicContact CD1-CD1 4.39Å; F71-L97 HydrophobicContact CE1-CD1 3.99Å; F71-L97 HydrophobicContact CE1-CD2 4.41Å; F71-L97 HydrophobicContact CE2-CB 4.07Å; F71-L97 HydrophobicContact CZ-CB 3.97Å; F71-L97 HydrophobicContact CZ-CD1 4.07Å; F71-L97 HydrophobicContact CZ-CD2 4.14Å; F71-L97 HydrophobicContact CZ-CG 4.3Å; F71-L100 HydrophobicContact CB-CD1 3.85Å; F71-L100 HydrophobicContact CD2-CD1 4.1Å; F71-L100 HydrophobicContact CG-CD1 3.99Å; F71-L199 HydrophobicContact CE1-CD2 3.69Å; F71-L199 HydrophobicContact CZ-CD2 4.19Å; F71-L202 HydrophobicContact CD1-CD1 4.28Å; F71-L202 HydrophobicContact CE1-CD1 3.88Å; F71-Q203 WeakPolarHBondContact O-CG 3.3Å; F71-Q203 PolarHBondContact O-NE2 3.22Å |
| 72 | P | 80.6 | Confident | 73.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | S | Bend | cis | -72.7 | 132.1 | -10.4 | 30.3 | -38.3 | 0 | 0 | 0 | 112.2 | L70 F79 W93 L199 | L70-P72 CarbonylContact O-C 3.59Å; L70-P72 VanDerWaalsContact O-C 3.24Å; P72-F79 HydrophobicContact CG-CE2 4.04Å; P72-W93 HydrophobicContact CB-CD2 4.07Å; P72-W93 HydrophobicContact CB-CG 4.21Å; P72-W93 HydrophobicContact CB-CZ2 4.13Å; P72-L199 HydrophobicContact CG-CB 4.42Å; P72-L199 HydrophobicContact CG-CD1 4.21Å |
| 73 | K | 73 | Confident | 71.7 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -97.9 | 136.7 | 174.8 | -148.8 | -169.2 | -157.2 | -154.8 | 0 | 110.5 | L70 G77 Q96 | L70-K73 WeakPolarHBondContact O-CB 3.1Å; L70-K73 PolarHBondContact O-N 3.3Å; K73-G77 VanDerWaalsContact CE-O 3.26Å; K73-G77 WeakPolarHBondContact CE-O 3.1Å; K73-Q96 PolarHBondContact O-NE2 2.86Å |
| 74 | S | 61.6 | Low | 69.8 | Low | 22 Ų | 22 | 50.3 Ų | 50.3 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 164.7 | 162.1 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | D76 G77 N78 | S74-D76 PolarHBondContact O-N 2.88Å; S74-D76 PolarHBondContact OG-N 3.39Å; S74-G77 PolarHBondContact O-N 2.91Å; S74-N78 WeakPolarHBondContact CB-O 3.4Å; S74-N78 PolarHBondContact N-O 2.8Å; S74-N78 PolarHBondContact OG-N 2.85Å; S74-N78 VanDerWaalsContact OG-N 3.14Å; S74-N78 PolarHBondContact OG-O 2.94Å |
| 75 | S | 52.6 | Low | 68 | Low | 120 Ų | 120 | 54.7 Ų | 54.7 | 84% | 0.839 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33 | 169.2 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | G77 | S75-G77 PolarHBondContact O-N 3.32Š|
| 76 | D | 50 | Low | 66.3 | Low | 131 Ų | 131 | 58.9 Ų | 58.9 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1.7 | -176.5 | -57.8 | -14.6 | 0 | 0 | 0 | 112.3 | S74 N78 | S74-D76 PolarHBondContact O-N 2.88Å; S74-D76 PolarHBondContact OG-N 3.39Å; D76-N78 VanDerWaalsContact C-N 3.26Å; D76-N78 PolarHBondContact O-N 2.89Å |
| 77 | G | 50.2 | Low | 64.7 | Low | 23 Ų | 23 | 62.4 Ų | 62.4 | 24% | 0.237 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 84.3 | -4.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | K73 S74 S75 | K73-G77 VanDerWaalsContact CE-O 3.26Å; K73-G77 WeakPolarHBondContact CE-O 3.1Å; S74-G77 PolarHBondContact O-N 2.91Å; S75-G77 PolarHBondContact O-N 3.32Å |
| 78 | N | 52.7 | Low | 63.1 | Low | 112 Ų | 112 | 64 Ų | 64 | 60% | 0.599 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -83.2 | 152 | 176.2 | -68.1 | -25.5 | 0 | 0 | 0 | 111.3 | S74 D76 | S74-N78 WeakPolarHBondContact CB-O 3.4Å; S74-N78 PolarHBondContact N-O 2.8Å; S74-N78 PolarHBondContact OG-N 2.85Å; S74-N78 VanDerWaalsContact OG-N 3.14Å; S74-N78 PolarHBondContact OG-O 2.94Å; D76-N78 VanDerWaalsContact C-N 3.26Å; D76-N78 PolarHBondContact O-N 2.89Å |
| 79 | F | 49.3 | Very low | 61.7 | Low | 77 Ų | 77 | 65.8 Ų | 65.8 | 34% | 0.338 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 137.2 | 170.4 | 177.4 | -115.5 | 0 | 0 | 0 | 110.4 | P72 E81 Q203 | P72-F79 HydrophobicContact CG-CE2 4.04Å; F79-E81 HydrophobicContact CD1-CG 3.65Å; F79-E81 HydrophobicContact CE1-CB 4.46Å; F79-E81 HydrophobicContact CE1-CG 3.8Å; F79-E81 PolarHBondContact O-N 3.41Å; F79-Q203 VanDerWaalsContact CD2-NE2 3.26Å |
| 80 | V | 54.5 | Low | 60.7 | Low | 17 Ų | 17 | 65.2 Ų | 65.2 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | trans | -88.2 | 91.3 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | N82 W93 | V80-N82 VanDerWaalsContact C-N 3.29Å; V80-N82 WeakPolarHBondContact CG1-O 3.49Å; V80-W93 HydrophobicContact CB-CZ2 3.96Å; V80-W93 HydrophobicContact CG1-CH2 4.18Å; V80-W93 HydrophobicContact CG1-CZ2 3.89Å; V80-W93 HydrophobicContact CG2-CZ2 4.07Å | ||
| 81 | E | 49.9 | Very low | 60.3 | Low | 153 Ų | 153 | 66.7 Ų | 66.7 | 72% | 0.715 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -65.1 | -37.7 | 170.7 | -70.3 | -172.7 | 167.4 | 0 | 0 | 111.3 | F79 T83 | F79-E81 HydrophobicContact CD1-CG 3.65Å; F79-E81 HydrophobicContact CE1-CB 4.46Å; F79-E81 HydrophobicContact CE1-CG 3.8Å; F79-E81 PolarHBondContact O-N 3.41Å; E81-T83 PolarHBondContact O-N 3.29Å |
| 82 | N | 50.9 | Low | 60.1 | Low | 137 Ų | 137 | 70.6 Ų | 70.6 | 73% | 0.733 | 39% | 0.393 | S | S | * | . | trans | -91.8 | 87.7 | 178.7 | -74.9 | -20.8 | 0 | 0 | 0 | 110.9 | V80 S84 | V80-N82 VanDerWaalsContact C-N 3.29Å; V80-N82 WeakPolarHBondContact CG1-O 3.49Å; N82-S84 PolarHBondContact O-N 3.09Å | ||
| 83 | T | 51.8 | Low | 60.5 | Low | 26 Ų | 26 | 70.7 Ų | 70.7 | 16% | 0.16 | 39% | 0.393 | C | S | . | . | trans | -70.3 | 60.9 | 167.3 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | E81 W93 L199 | E81-T83 PolarHBondContact O-N 3.29Å; T83-W93 HydrophobicContact CG2-CH2 3.96Å; T83-W93 HydrophobicContact CG2-CZ3 4.35Å; T83-L199 HydrophobicContact CG2-CD1 3.97Å | ||
| 84 | S | 53.4 | Low | 61.3 | Low | 50 Ų | 50 | 67.6 Ų | 67.6 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | trans | -57.3 | 151.4 | 170 | 59.5 | 0 | 0 | 0 | 0 | 110 | N82 N86 | N82-S84 PolarHBondContact O-N 3.09Å; S84-N86 PolarHBondContact O-N 2.88Å; S84-N86 PolarHBondContact OG-ND2 3.06Å; S84-N86 VanDerWaalsContact OG-ND2 3.14Å | ||
| 85 | N | 55.5 | Low | 62.7 | Low | 97 Ų | 97 | 70.7 Ų | 70.7 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | trans | -70.3 | 31 | -178.6 | -68.8 | -14.4 | 0 | 0 | 0 | 113.6 | L87 | N85-L87 PolarHBondContact O-N 3.23Š| ||
| 86 | N | 59.3 | Low | 64.6 | Low | 89 Ų | 89 | 67.9 Ų | 67.9 | 48% | 0.476 | 37% | 0.369 | S | S | . | . | trans | -75.5 | 111.6 | -178.7 | -73.3 | -15.1 | 0 | 0 | 0 | 110.1 | S84 S88 L89 A90 | S84-N86 PolarHBondContact O-N 2.88Å; S84-N86 PolarHBondContact OG-ND2 3.06Å; S84-N86 VanDerWaalsContact OG-ND2 3.14Å; N86-S88 PolarHBondContact O-N 3.04Å; N86-L89 HydrophobicContact CB-CD1 3.94Å; N86-L89 HydrophobicContact CB-CG 4.08Å; N86-L89 WeakPolarHBondContact O-CB 3.23Å; N86-L89 PolarHBondContact O-N 3.14Å; N86-A90 PolarHBondContact O-N 3.14Å | ||
| 87 | L | 56.7 | Low | 66.7 | Low | 80 Ų | 80 | 61.7 Ų | 61.7 | 42% | 0.419 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.9 | -32.3 | 179.6 | -91.1 | 144.6 | 0 | 0 | 0 | 114.4 | N85 L89 A90 N91 S142 | N85-L87 PolarHBondContact O-N 3.23Å; L87-L89 VanDerWaalsContact C-N 3.32Å; L87-L89 PolarHBondContact O-N 3.23Å; L87-A90 PolarHBondContact O-N 3.24Å; L87-N91 PolarHBondContact O-N 3.37Å; L87-S142 WeakPolarHBondContact CD2-OG 3.35Å |
| 88 | S | 59.1 | Low | 68.9 | Low | 78 Ų | 78 | 62.4 Ų | 62.4 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | N86 A90 N91 D92 | N86-S88 PolarHBondContact O-N 3.04Å; S88-A90 VanDerWaalsContact C-N 3.31Å; S88-A90 PolarHBondContact O-N 3.29Å; S88-N91 PolarHBondContact O-N 2.85Å; S88-D92 PolarHBondContact O-N 2.89Å |
| 89 | L | 65.5 | Low | 70.9 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 20% | 0.199 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 177.1 | -62 | 176.4 | 0 | 0 | 0 | 111.5 | N86 L87 N91 D92 W93 | N86-L89 HydrophobicContact CB-CD1 3.94Å; N86-L89 HydrophobicContact CB-CG 4.08Å; N86-L89 WeakPolarHBondContact O-CB 3.23Å; N86-L89 PolarHBondContact O-N 3.14Å; L87-L89 VanDerWaalsContact C-N 3.32Å; L87-L89 PolarHBondContact O-N 3.23Å; L89-N91 PolarHBondContact O-N 3.31Å; L89-D92 PolarHBondContact O-N 3.29Å; L89-W93 HydrophobicContact CB-CD2 4.46Å; L89-W93 HydrophobicContact CB-CH2 4.32Å; L89-W93 HydrophobicContact CB-CZ2 4.08Å; L89-W93 HydrophobicContact CD1-CH2 4.47Å; L89-W93 HydrophobicContact CD1-CZ2 4.33Å; L89-W93 WeakPolarHBondContact O-CB 3.14Å; L89-W93 PolarHBondContact O-N 3.43Å |
| 90 | A | 69.7 | Low | 73.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N86 L87 S88 W93 Q94 | N86-A90 PolarHBondContact O-N 3.14Å; L87-A90 PolarHBondContact O-N 3.24Å; S88-A90 VanDerWaalsContact C-N 3.31Å; S88-A90 PolarHBondContact O-N 3.29Å; A90-W93 PolarHBondContact O-N 2.94Å; A90-Q94 VanDerWaalsContact O-CG 3.23Å; A90-Q94 WeakPolarHBondContact O-CG 3.48Å; A90-Q94 PolarHBondContact O-N 3.41Å |
| 91 | N | 79.7 | Confident | 75.2 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 177.6 | -69.7 | -14.7 | 0 | 0 | 0 | 112 | L87 S88 L89 W93 Q94 N95 | L87-N91 PolarHBondContact O-N 3.37Å; S88-N91 PolarHBondContact O-N 2.85Å; L89-N91 PolarHBondContact O-N 3.31Å; N91-W93 VanDerWaalsContact C-N 3.32Å; N91-W93 PolarHBondContact O-N 2.92Å; N91-Q94 WeakPolarHBondContact O-CB 3.24Å; N91-Q94 PolarHBondContact O-N 3.42Å; N91-N95 PolarHBondContact O-N 3.37Å; N91-N95 PolarHBondContact O-ND2 3.44Å |
| 92 | D | 85.5 | Confident | 77.4 | Confident | 84 Ų | 84 | 54.5 Ų | 54.5 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.5 | -70.3 | -21.7 | 0 | 0 | 0 | 111.4 | S88 L89 N95 Q96 | S88-D92 PolarHBondContact O-N 2.89Å; L89-D92 PolarHBondContact O-N 3.29Å; D92-N95 PolarHBondContact O-N 3.41Å; D92-Q96 WeakPolarHBondContact O-CB 3.38Å; D92-Q96 VanDerWaalsContact O-CG 3.29Å; D92-Q96 WeakPolarHBondContact O-CG 3.11Å; D92-Q96 PolarHBondContact O-N 2.67Å |
| 93 | W | 89.2 | Confident | 79.5 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 176.5 | -64.1 | -14.2 | 0 | 0 | 0 | 113 | F71 P72 V80 T83 L89 A90 N91 L97 L135 L199 | F71-W93 HydrophobicContact CE2-CB 4.16Å; F71-W93 HydrophobicContact CE2-CG 4.5Å; F71-W93 HydrophobicContact CZ-CB 4.28Å; P72-W93 HydrophobicContact CB-CD2 4.07Å; P72-W93 HydrophobicContact CB-CG 4.21Å; P72-W93 HydrophobicContact CB-CZ2 4.13Å; V80-W93 HydrophobicContact CB-CZ2 3.96Å; V80-W93 HydrophobicContact CG1-CH2 4.18Å; V80-W93 HydrophobicContact CG1-CZ2 3.89Å; V80-W93 HydrophobicContact CG2-CZ2 4.07Å; T83-W93 HydrophobicContact CG2-CH2 3.96Å; T83-W93 HydrophobicContact CG2-CZ3 4.35Å; L89-W93 HydrophobicContact CB-CD2 4.46Å; L89-W93 HydrophobicContact CB-CH2 4.32Å; L89-W93 HydrophobicContact CB-CZ2 4.08Å; L89-W93 HydrophobicContact CD1-CH2 4.47Å; L89-W93 HydrophobicContact CD1-CZ2 4.33Å; L89-W93 WeakPolarHBondContact O-CB 3.14Å; L89-W93 PolarHBondContact O-N 3.43Å; A90-W93 PolarHBondContact O-N 2.94Å; N91-W93 VanDerWaalsContact C-N 3.32Å; N91-W93 PolarHBondContact O-N 2.92Å; W93-L97 WeakPolarHBondContact O-CB 3.36Å; W93-L97 PolarHBondContact O-N 3.06Å; W93-L135 HydrophobicContact CB-CD1 4.03Å; W93-L135 HydrophobicContact CE3-CD2 4.39Å; W93-L199 HydrophobicContact CZ3-CD1 4.25Å |
| 94 | Q | 90.9 | Very high | 81.7 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.6 | -55.1 | 170.2 | -73.6 | 162.8 | 18.4 | 0 | 0 | 109.3 | A90 N91 Q96 L97 E98 L135 Y136 S139 | A90-Q94 VanDerWaalsContact O-CG 3.23Å; A90-Q94 WeakPolarHBondContact O-CG 3.48Å; A90-Q94 PolarHBondContact O-N 3.41Å; N91-Q94 WeakPolarHBondContact O-CB 3.24Å; N91-Q94 PolarHBondContact O-N 3.42Å; Q94-Q96 PolarHBondContact O-N 2.89Å; Q94-L97 PolarHBondContact O-N 3.48Å; Q94-E98 VanDerWaalsContact O-CG 3.3Å; Q94-E98 WeakPolarHBondContact O-CG 3.25Å; Q94-E98 PolarHBondContact O-N 3.38Å; Q94-L135 HydrophobicContact CG-CB 3.65Å; Q94-L135 HydrophobicContact CG-CD1 4.37Å; Q94-L135 VanDerWaalsContact NE2-C 3.32Å; Q94-L135 PolarHBondContact NE2-O 3.19Å; Q94-Y136 HydrophobicContact CG-CE1 4.45Å; Q94-Y136 HydrophobicContact CG-CE2 4.45Å; Q94-S139 PolarHBondContact NE2-OG 3.31Å |
| 95 | N | 90.7 | Very high | 83.7 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | -178.9 | -68.6 | -26.6 | 0 | 0 | 0 | 112.7 | N91 D92 L97 E98 I99 | N91-N95 PolarHBondContact O-N 3.37Å; N91-N95 PolarHBondContact O-ND2 3.44Å; D92-N95 PolarHBondContact O-N 3.41Å; N95-L97 VanDerWaalsContact C-N 3.35Å; N95-L97 PolarHBondContact O-N 3.06Å; N95-E98 PolarHBondContact O-N 3.38Å; N95-I99 WeakPolarHBondContact O-CG1 3.25Å; N95-I99 PolarHBondContact O-N 2.94Å; N95-I99 VanDerWaalsContact O-N 3.13Å |
| 96 | Q | 91.8 | Very high | 85.5 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 176.8 | -73.6 | 177.5 | 44.1 | 0 | 0 | 111.5 | F71 K73 D92 Q94 I99 L100 | F71-Q96 HydrophobicContact CD2-CB 3.95Å; F71-Q96 HydrophobicContact CE2-CB 3.94Å; K73-Q96 PolarHBondContact O-NE2 2.86Å; D92-Q96 WeakPolarHBondContact O-CB 3.38Å; D92-Q96 VanDerWaalsContact O-CG 3.29Å; D92-Q96 WeakPolarHBondContact O-CG 3.11Å; D92-Q96 PolarHBondContact O-N 2.67Å; Q94-Q96 PolarHBondContact O-N 2.89Å; Q96-I99 PolarHBondContact O-N 2.99Å; Q96-L100 WeakPolarHBondContact O-CG 3.42Å; Q96-L100 PolarHBondContact O-N 3.4Å |
| 97 | L | 95 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.7 | -33.9 | -178.3 | -165.3 | 57.9 | 0 | 0 | 0 | 112.1 | F71 W93 Q94 N95 L100 I101 A128 V131 I132 L135 L202 | F71-L97 HydrophobicContact CD1-CD1 4.39Å; F71-L97 HydrophobicContact CE1-CD1 3.99Å; F71-L97 HydrophobicContact CE1-CD2 4.41Å; F71-L97 HydrophobicContact CE2-CB 4.07Å; F71-L97 HydrophobicContact CZ-CB 3.97Å; F71-L97 HydrophobicContact CZ-CD1 4.07Å; F71-L97 HydrophobicContact CZ-CD2 4.14Å; F71-L97 HydrophobicContact CZ-CG 4.3Å; W93-L97 WeakPolarHBondContact O-CB 3.36Å; W93-L97 PolarHBondContact O-N 3.06Å; Q94-L97 PolarHBondContact O-N 3.48Å; N95-L97 VanDerWaalsContact C-N 3.35Å; N95-L97 PolarHBondContact O-N 3.06Å; L97-L100 HydrophobicContact CD1-CD1 4.44Å; L97-L100 PolarHBondContact O-N 3.44Å; L97-I101 HydrophobicContact CG-CD1 4.14Å; L97-I101 WeakPolarHBondContact O-CB 3.19Å; L97-I101 VanDerWaalsContact O-CG1 3.24Å; L97-I101 WeakPolarHBondContact O-CG1 3.41Å; L97-I101 PolarHBondContact O-N 2.97Å; L97-A128 HydrophobicContact CD1-CB 3.8Å; L97-A128 HydrophobicContact CG-CB 4.39Å; L97-V131 HydrophobicContact CD2-CB 4.04Å; L97-V131 HydrophobicContact CD2-CG1 3.79Å; L97-I132 HydrophobicContact CB-CD1 4.3Å; L97-I132 HydrophobicContact CD2-CB 3.79Å; L97-I132 HydrophobicContact CD2-CG1 4.24Å; L97-I132 HydrophobicContact CG-CB 4.36Å; L97-I132 HydrophobicContact CG-CD1 4.47Å; L97-L135 HydrophobicContact CD2-CD1 4.15Å; L97-L202 HydrophobicContact CD1-CD1 4.26Å |
| 98 | E | 95.1 | Very high | 88.9 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 172.4 | -72.3 | -155.7 | 141.4 | 0 | 0 | 112.3 | Q94 N95 L100 I101 T102 I132 Y136 K152 | Q94-E98 VanDerWaalsContact O-CG 3.3Å; Q94-E98 WeakPolarHBondContact O-CG 3.25Å; Q94-E98 PolarHBondContact O-N 3.38Å; N95-E98 PolarHBondContact O-N 3.38Å; E98-L100 VanDerWaalsContact C-N 3.35Å; E98-I101 PolarHBondContact O-N 2.86Å; E98-T102 WeakPolarHBondContact O-CB 3.4Å; E98-T102 PolarHBondContact O-N 3.26Å; E98-T102 PolarHBondContact O-OG1 2.8Å; E98-I132 HydrophobicContact CB-CD1 4.31Å; E98-I132 HydrophobicContact CG-CD1 3.3Å; E98-Y136 VanDerWaalsContact CD-OH 3.29Å; E98-Y136 PolarHBondContact OE1-OH 3.13Å; E98-K152 WeakPolarHBondContact OE1-CD 3.38Å; E98-K152 WeakPolarHBondContact OE1-CE 3.45Å; E98-K152 IonicContact OE1-NZ 2.88Å; E98-K152 PolarHBondContact OE1-NZ 3.17Å; E98-K152 IonicContact OE2-NZ 3.79Å |
| 99 | I | 94.9 | Very high | 90.4 | Very high | 111 Ų | 111 | 46.6 Ų | 46.6 | 57% | 0.569 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 177 | -67.1 | 166.3 | 0 | 0 | 0 | 109.7 | N95 Q96 I101 T102 V103 | N95-I99 WeakPolarHBondContact O-CG1 3.25Å; N95-I99 PolarHBondContact O-N 2.94Å; N95-I99 VanDerWaalsContact O-N 3.13Å; Q96-I99 PolarHBondContact O-N 2.99Å; I99-I101 PolarHBondContact O-N 3.25Å; I99-T102 PolarHBondContact O-N 2.99Å; I99-V103 HydrophobicContact CG2-CG2 4.22Å; I99-V103 WeakPolarHBondContact O-CB 3.42Å; I99-V103 WeakPolarHBondContact O-CG2 3.34Å; I99-V103 PolarHBondContact O-N 3.25Å |
| 100 | L | 96.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 177.3 | -73.8 | 170.4 | 0 | 0 | 0 | 112.4 | W64 A67 A68 F71 Q96 L97 E98 G104 | W64-L100 PolarHBondContact NE1-O 3.13Å; A67-L100 HydrophobicContact CB-CD2 3.67Å; A68-L100 HydrophobicContact CB-CD2 4.2Å; F71-L100 HydrophobicContact CB-CD1 3.85Å; F71-L100 HydrophobicContact CD2-CD1 4.1Å; F71-L100 HydrophobicContact CG-CD1 3.99Å; Q96-L100 WeakPolarHBondContact O-CG 3.42Å; Q96-L100 PolarHBondContact O-N 3.4Å; L97-L100 HydrophobicContact CD1-CD1 4.44Å; L97-L100 PolarHBondContact O-N 3.44Å; E98-L100 VanDerWaalsContact C-N 3.35Å; L100-G104 WeakPolarHBondContact O-CA 3.17Å; L100-G104 PolarHBondContact O-N 3.36Å |
| 101 | I | 97.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 176.3 | -68.8 | 164.7 | 0 | 0 | 0 | 110.3 | L97 E98 I99 G104 D105 A128 R129 I132 Y156 | L97-I101 HydrophobicContact CG-CD1 4.14Å; L97-I101 WeakPolarHBondContact O-CB 3.19Å; L97-I101 VanDerWaalsContact O-CG1 3.24Å; L97-I101 WeakPolarHBondContact O-CG1 3.41Å; L97-I101 PolarHBondContact O-N 2.97Å; E98-I101 PolarHBondContact O-N 2.86Å; I99-I101 PolarHBondContact O-N 3.25Å; I101-G104 PolarHBondContact O-N 3.37Å; I101-D105 WeakPolarHBondContact O-CB 3.45Å; I101-D105 PolarHBondContact O-N 2.93Å; I101-A128 HydrophobicContact CD1-CB 4.09Å; I101-A128 HydrophobicContact CG1-CB 3.8Å; I101-R129 HydrophobicContact CD1-CG 4.16Å; I101-R129 HydrophobicContact CG2-CG 4.27Å; I101-I132 HydrophobicContact CD1-CB 4.3Å; I101-I132 HydrophobicContact CD1-CD1 4.1Å; I101-I132 HydrophobicContact CD1-CG2 4.06Å; I101-Y156 HydrophobicContact CG2-CE1 3.76Å |
| 102 | T | 96.5 | Very high | 92.8 | Very high | 72 Ų | 72 | 44 Ų | 44 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.6 | -53.2 | -176.5 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | E98 I99 G104 D105 D106 | E98-T102 WeakPolarHBondContact O-CB 3.4Å; E98-T102 PolarHBondContact O-N 3.26Å; E98-T102 PolarHBondContact O-OG1 2.8Å; I99-T102 PolarHBondContact O-N 2.99Å; T102-G104 VanDerWaalsContact C-N 3.28Å; T102-G104 PolarHBondContact O-N 3.26Å; T102-D105 PolarHBondContact O-N 3.33Å; T102-D106 PolarHBondContact O-N 2.99Å; T102-D106 VanDerWaalsContact O-N 3.09Å |
| 103 | V | 95.7 | Very high | 92.8 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | W64 I99 D105 D106 L107 | W64-V103 HydrophobicContact CB-CG1 4.44Å; W64-V103 HydrophobicContact CG-CG1 4.36Å; I99-V103 HydrophobicContact CG2-CG2 4.22Å; I99-V103 WeakPolarHBondContact O-CB 3.42Å; I99-V103 WeakPolarHBondContact O-CG2 3.34Å; I99-V103 PolarHBondContact O-N 3.25Å; V103-D105 VanDerWaalsContact C-N 3.35Å; V103-D106 PolarHBondContact O-N 3.41Å; V103-L107 HydrophobicContact CG1-CD1 4.16Å; V103-L107 HydrophobicContact CG1-CG 4.43Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 VanDerWaalsContact O-CG 3.28Å; V103-L107 WeakPolarHBondContact O-CG 3.35Å; V103-L107 PolarHBondContact O-N 2.91Å |
| 104 | G | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L100 I101 T102 L107 F108 | L100-G104 WeakPolarHBondContact O-CA 3.17Å; L100-G104 PolarHBondContact O-N 3.36Å; I101-G104 PolarHBondContact O-N 3.37Å; T102-G104 VanDerWaalsContact C-N 3.28Å; T102-G104 PolarHBondContact O-N 3.26Å; G104-L107 PolarHBondContact O-N 3.47Å; G104-F108 WeakPolarHBondContact O-CB 3.4Å; G104-F108 PolarHBondContact O-N 2.94Å |
| 105 | D | 95.4 | Very high | 92.7 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 173.3 | -83.9 | -31.2 | 0 | 0 | 0 | 111.8 | I101 T102 V103 F108 S109 R129 | I101-D105 WeakPolarHBondContact O-CB 3.45Å; I101-D105 PolarHBondContact O-N 2.93Å; T102-D105 PolarHBondContact O-N 3.33Å; V103-D105 VanDerWaalsContact C-N 3.35Å; D105-F108 PolarHBondContact O-N 3.08Å; D105-S109 WeakPolarHBondContact O-CB 3.49Å; D105-S109 PolarHBondContact O-N 3.28Å; D105-R129 IonicContact OD1-CZ 3.91Å; D105-R129 IonicContact OD1-NH2 3.8Å; D105-R129 PolarHBondContact OD1-NH2 3.23Å; D105-R129 IonicContact OD2-CZ 3.96Å; D105-R129 IonicContact OD2-NH2 2.6Å; D105-R129 PolarHBondContact OD2-NH2 2.98Å |
| 106 | D | 94.5 | Very high | 92.7 | Very high | 108 Ų | 108 | 50.8 Ų | 50.8 | 58% | 0.578 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.1 | -48.4 | 174.1 | -69.6 | -22.8 | 0 | 0 | 0 | 110.6 | T102 V103 F108 S109 G110 | T102-D106 PolarHBondContact O-N 2.99Å; T102-D106 VanDerWaalsContact O-N 3.09Å; V103-D106 PolarHBondContact O-N 3.41Å; D106-F108 PolarHBondContact O-N 3.35Å; D106-S109 PolarHBondContact O-N 3.37Å; D106-S109 PolarHBondContact O-OG 3.48Å; D106-G110 PolarHBondContact O-N 2.68Å |
| 107 | L | 93.1 | Very high | 92.8 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 174.9 | -70.8 | 171 | 0 | 0 | 0 | 111.4 | F61 W64 V103 G104 S109 G110 L111 L121 | F61-L107 HydrophobicContact CB-CD2 4.42Å; F61-L107 HydrophobicContact CD2-CD1 4.07Å; F61-L107 HydrophobicContact CD2-CD2 4.3Å; W64-L107 HydrophobicContact CB-CD1 3.6Å; W64-L107 HydrophobicContact CD2-CD1 4.02Å; W64-L107 HydrophobicContact CG-CD1 3.56Å; V103-L107 HydrophobicContact CG1-CD1 4.16Å; V103-L107 HydrophobicContact CG1-CG 4.43Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 VanDerWaalsContact O-CG 3.28Å; V103-L107 WeakPolarHBondContact O-CG 3.35Å; V103-L107 PolarHBondContact O-N 2.91Å; G104-L107 PolarHBondContact O-N 3.47Å; L107-S109 VanDerWaalsContact C-N 3.31Å; L107-S109 PolarHBondContact O-N 3.12Å; L107-G110 PolarHBondContact O-N 3.42Å; L107-G110 VanDerWaalsContact O-N 3.14Å; L107-L111 WeakPolarHBondContact O-CG 3.19Å; L107-L111 PolarHBondContact O-N 3.46Å; L107-L121 HydrophobicContact CB-CD2 4.21Å |
| 108 | F | 93.7 | Very high | 92.7 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 23% | 0.228 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -40.3 | -179.7 | -178.5 | -93.2 | 0 | 0 | 0 | 112.3 | G104 D105 D106 G110 L111 K118 L121 R122 L125 | G104-F108 WeakPolarHBondContact O-CB 3.4Å; G104-F108 PolarHBondContact O-N 2.94Å; D105-F108 PolarHBondContact O-N 3.08Å; D106-F108 PolarHBondContact O-N 3.35Å; F108-G110 VanDerWaalsContact C-N 3.27Å; F108-G110 PolarHBondContact O-N 3.49Å; F108-L111 PolarHBondContact O-N 2.98Å; F108-K118 HydrophobicContact CD2-CG 4.06Å; F108-K118 HydrophobicContact CE2-CB 4.47Å; F108-K118 HydrophobicContact CE2-CD 4.34Å; F108-K118 HydrophobicContact CE2-CG 3.37Å; F108-K118 WeakPolarHBondContact CE2-O 3.42Å; F108-K118 HydrophobicContact CZ-CD 4.44Å; F108-K118 HydrophobicContact CZ-CG 3.87Å; F108-L121 HydrophobicContact CB-CD2 3.69Å; F108-L121 HydrophobicContact CB-CG 4.2Å; F108-L121 HydrophobicContact CD2-CB 4.31Å; F108-L121 HydrophobicContact CD2-CD2 4.13Å; F108-L121 HydrophobicContact CD2-CG 4.12Å; F108-L121 HydrophobicContact CG-CD2 4.44Å; F108-R122 HydrophobicContact CE2-CB 3.74Å; F108-R122 HydrophobicContact CE2-CG 4.37Å; F108-R122 HydrophobicContact CZ-CB 4.3Å; F108-R122 HydrophobicContact CZ-CG 4.47Å; F108-L125 HydrophobicContact CB-CD1 3.95Å; F108-L125 HydrophobicContact CD2-CD1 4.46Å; F108-L125 HydrophobicContact CG-CD1 4.27Å |
| 109 | S | 91.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.7 | -30.9 | 178.3 | 77.6 | 0 | 0 | 0 | 0 | 112.7 | D105 D106 L107 | D105-S109 WeakPolarHBondContact O-CB 3.49Å; D105-S109 PolarHBondContact O-N 3.28Å; D106-S109 PolarHBondContact O-N 3.37Å; D106-S109 PolarHBondContact O-OG 3.48Å; L107-S109 VanDerWaalsContact C-N 3.31Å; L107-S109 PolarHBondContact O-N 3.12Å |
| 110 | G | 89.6 | Confident | 92.7 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.6 | -29.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | V8 D106 L107 F108 D112 | V8-G110 WeakPolarHBondContact CB-O 3.34Å; V8-G110 WeakPolarHBondContact CG1-O 3.35Å; V8-G110 WeakPolarHBondContact CG2-O 3.4Å; D106-G110 PolarHBondContact O-N 2.68Å; L107-G110 PolarHBondContact O-N 3.42Å; L107-G110 VanDerWaalsContact O-N 3.14Å; F108-G110 VanDerWaalsContact C-N 3.27Å; F108-G110 PolarHBondContact O-N 3.49Å; G110-D112 PolarHBondContact O-N 2.98Å |
| 111 | L | 88.1 | Confident | 92.7 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -68.1 | 132.3 | -175.3 | -61.5 | -179.7 | 0 | 0 | 0 | 113 | I12 L107 F108 K118 L121 | I12-L111 HydrophobicContact CD1-CD2 3.14Å; L107-L111 WeakPolarHBondContact O-CG 3.19Å; L107-L111 PolarHBondContact O-N 3.46Å; F108-L111 PolarHBondContact O-N 2.98Å; L111-K118 HydrophobicContact CB-CB 4.42Å; L111-K118 HydrophobicContact CB-CD 4.19Å; L111-K118 HydrophobicContact CB-CG 4.43Å; L111-K118 HydrophobicContact CD1-CB 4.04Å; L111-K118 HydrophobicContact CD1-CG 4.48Å; L111-K118 PolarHBondContact O-NZ 2.79Å; L111-L121 HydrophobicContact CD1-CD2 3.91Å |
| 112 | D | 86.8 | Confident | 92.6 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | trans | -65.2 | 162 | 166.8 | 61.1 | 35.3 | 0 | 0 | 0 | 111.8 | G5 N9 G110 S114 S115 K118 | G5-D112 WeakPolarHBondContact O-CB 3.48Å; N9-D112 VanDerWaalsContact CB-OD2 3.27Å; N9-D112 WeakPolarHBondContact CB-OD2 3.13Å; N9-D112 VanDerWaalsContact CG-OD1 3.27Å; N9-D112 PolarHBondContact N-OD2 3.33Å; N9-D112 PolarHBondContact ND2-OD1 3.36Å; N9-D112 PolarHBondContact ND2-OD2 3.46Å; G110-D112 PolarHBondContact O-N 2.98Å; D112-S114 PolarHBondContact O-N 3.31Å; D112-S114 PolarHBondContact OD1-N 3.25Å; D112-S114 PolarHBondContact OD1-OG 3.39Å; D112-S114 VanDerWaalsContact OD1-OG 3.13Å; D112-S115 WeakPolarHBondContact O-CB 3.24Å; D112-S115 PolarHBondContact O-N 2.91Å; D112-S115 WeakPolarHBondContact OD1-CA 3.5Å; D112-S115 VanDerWaalsContact OD1-CB 3.25Å; D112-S115 WeakPolarHBondContact OD1-CB 3.48Å; D112-S115 PolarHBondContact OD1-N 2.93Å; D112-K118 WeakPolarHBondContact O-CD 3.22Å | ||
| 113 | D | 86.2 | Confident | 92.6 | Very high | 132 Ų | 132 | 53.3 Ų | 53.3 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.7 | -177.8 | -65.6 | -32.4 | 0 | 0 | 0 | 113.6 | K118 | D113-K118 IonicContact OD1-NZ 2.76Å; D113-K118 PolarHBondContact OD1-NZ 2.81Å |
| 114 | S | 88.4 | Confident | 92.7 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 62% | 0.615 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.8 | 177.6 | 55 | 0 | 0 | 0 | 0 | 113.2 | D112 R116 | D112-S114 PolarHBondContact O-N 3.31Å; D112-S114 PolarHBondContact OD1-N 3.25Å; D112-S114 PolarHBondContact OD1-OG 3.39Å; D112-S114 VanDerWaalsContact OD1-OG 3.13Å; S114-R116 PolarHBondContact O-N 2.94Å |
| 115 | S | 89 | Confident | 92.8 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | trans | -62.7 | 124.3 | -176.8 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | N9 D112 Y117 K118 P119 | N9-S115 WeakPolarHBondContact ND2-CA 3.29Å; N9-S115 PolarHBondContact ND2-N 3.26Å; N9-S115 WeakPolarHBondContact OD1-CA 3.49Å; N9-S115 WeakPolarHBondContact OD1-CB 3.14Å; N9-S115 PolarHBondContact OD1-OG 3.48Å; D112-S115 WeakPolarHBondContact O-CB 3.24Å; D112-S115 PolarHBondContact O-N 2.91Å; D112-S115 WeakPolarHBondContact OD1-CA 3.5Å; D112-S115 VanDerWaalsContact OD1-CB 3.25Å; D112-S115 WeakPolarHBondContact OD1-CB 3.48Å; D112-S115 PolarHBondContact OD1-N 2.93Å; S115-Y117 PolarHBondContact O-N 3.41Å; S115-Y117 VanDerWaalsContact O-N 3.17Å; S115-Y117 WeakPolarHBondContact OG-CD2 3.3Å; S115-Y117 PolarHBondContact OG-N 3.06Å; S115-K118 WeakPolarHBondContact O-CB 2.9Å; S115-K118 PolarHBondContact O-N 3.35Å; S115-K118 VanDerWaalsContact O-N 3.13Å; S115-P119 WeakPolarHBondContact O-CD 3.38Å | ||
| 116 | R | 91 | Very high | 92.8 | Very high | 101 Ų | 101 | 51.7 Ų | 51.7 | 38% | 0.381 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.4 | 173 | 65.6 | 178.3 | 175.6 | -180 | 1.6 | 112.4 | S114 H120 Q212 | S114-R116 PolarHBondContact O-N 2.94Å; R116-H120 PolarHBondContact O-CD2 2.86Å; R116-H120 VanDerWaalsContact O-CD2 3.23Å; R116-Q212 HydrophobicContact CG-CB 4.39Å; R116-Q212 PolarHBondContact NE-O 3.36Å; R116-Q212 PolarHBondContact NH1-O 3.3Å; R116-Q212 PolarHBondContact NH2-O 2.9Å |
| 117 | Y | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -78 | -26.8 | -178.9 | -51 | -70.1 | 0 | 0 | 0 | 112.9 | I12 N13 F61 S115 H120 L121 Q212 L213 | I12-Y117 HydrophobicContact CG2-CE2 4.07Å; N13-Y117 PolarHBondContact OD1-OH 3.35Å; F61-Y117 HydrophobicContact CE1-CD1 4.01Å; F61-Y117 HydrophobicContact CE1-CE1 4.11Å; F61-Y117 HydrophobicContact CE1-CG 4.37Å; F61-Y117 AromaticContact CZ-CD1 3.76Å; F61-Y117 HydrophobicContact CZ-CD1 3.76Å; F61-Y117 HydrophobicContact CZ-CD2 4.47Å; F61-Y117 HydrophobicContact CZ-CE1 4.34Å; F61-Y117 AromaticContact CZ-CG 3.85Å; F61-Y117 HydrophobicContact CZ-CG 3.85Å; S115-Y117 PolarHBondContact O-N 3.41Å; S115-Y117 VanDerWaalsContact O-N 3.17Å; S115-Y117 WeakPolarHBondContact OG-CD2 3.3Å; S115-Y117 PolarHBondContact OG-N 3.06Å; Y117-H120 PolarHBondContact O-N 3.34Å; Y117-L121 WeakPolarHBondContact O-CB 3.46Å; Y117-L121 PolarHBondContact O-N 3.47Å; Y117-Q212 HydrophobicContact CD1-CB 3.68Å; Y117-Q212 HydrophobicContact CE1-CB 3.66Å; Y117-Q212 WeakPolarHBondContact CE1-O 3.3Å; Y117-L213 HydrophobicContact CE1-CD2 4.28Å |
| 118 | K | 92.9 | Very high | 93.1 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.9 | -49 | -171.8 | -165 | 164.1 | -171.5 | 164.5 | 0 | 114.2 | F108 L111 D112 D113 S115 H120 R122 | F108-K118 HydrophobicContact CD2-CG 4.06Å; F108-K118 HydrophobicContact CE2-CB 4.47Å; F108-K118 HydrophobicContact CE2-CD 4.34Å; F108-K118 HydrophobicContact CE2-CG 3.37Å; F108-K118 WeakPolarHBondContact CE2-O 3.42Å; F108-K118 HydrophobicContact CZ-CD 4.44Å; F108-K118 HydrophobicContact CZ-CG 3.87Å; L111-K118 HydrophobicContact CB-CB 4.42Å; L111-K118 HydrophobicContact CB-CD 4.19Å; L111-K118 HydrophobicContact CB-CG 4.43Å; L111-K118 HydrophobicContact CD1-CB 4.04Å; L111-K118 HydrophobicContact CD1-CG 4.48Å; L111-K118 PolarHBondContact O-NZ 2.79Å; D112-K118 WeakPolarHBondContact O-CD 3.22Å; D113-K118 IonicContact OD1-NZ 2.76Å; D113-K118 PolarHBondContact OD1-NZ 2.81Å; S115-K118 WeakPolarHBondContact O-CB 2.9Å; S115-K118 PolarHBondContact O-N 3.35Å; S115-K118 VanDerWaalsContact O-N 3.13Å; K118-H120 PolarHBondContact O-N 3.18Å; K118-R122 WeakPolarHBondContact O-CB 3.43Å; K118-R122 PolarHBondContact O-N 2.83Å |
| 119 | P | 94.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 178.2 | 22.7 | -33.1 | 0 | 0 | 0 | 113 | S115 N123 | S115-P119 WeakPolarHBondContact O-CD 3.38Å; P119-N123 VanDerWaalsContact O-CG 3.22Å; P119-N123 PolarHBondContact O-N 2.6Å; P119-N123 VanDerWaalsContact O-N 3.12Å; P119-N123 PolarHBondContact O-OD1 3.01Å |
| 120 | H | 96.2 | Very high | 93.4 | Very high | 46 Ų | 46 | 45.8 Ų | 45.8 | 21% | 0.213 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -45.2 | -179.6 | -59 | -88.5 | 0 | 0 | 0 | 111.5 | R116 Y117 K118 R122 N123 Y124 I209 | R116-H120 PolarHBondContact O-CD2 2.86Å; R116-H120 VanDerWaalsContact O-CD2 3.23Å; Y117-H120 PolarHBondContact O-N 3.34Å; K118-H120 PolarHBondContact O-N 3.18Å; H120-R122 VanDerWaalsContact C-N 3.32Å; H120-R122 PolarHBondContact O-N 3.47Å; H120-N123 WeakPolarHBondContact O-CB 3.48Å; H120-N123 PolarHBondContact O-N 3.33Å; H120-N123 VanDerWaalsContact O-N 3.11Å; H120-Y124 PolarHBondContact O-N 3.21Å; H120-I209 HydrophobicContact CB-CB 4.42Å; H120-I209 HydrophobicContact CB-CG1 3.52Å |
| 121 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -40.9 | 176.2 | -176.5 | 57.4 | 0 | 0 | 0 | 111.6 | W64 L107 F108 L111 Y117 N123 Y124 L125 I209 | W64-L121 HydrophobicContact CE3-CD1 4.48Å; W64-L121 HydrophobicContact CH2-CD1 3.26Å; W64-L121 HydrophobicContact CZ2-CD1 3.54Å; W64-L121 HydrophobicContact CZ3-CD1 3.79Å; L107-L121 HydrophobicContact CB-CD2 4.21Å; F108-L121 HydrophobicContact CB-CD2 3.69Å; F108-L121 HydrophobicContact CB-CG 4.2Å; F108-L121 HydrophobicContact CD2-CB 4.31Å; F108-L121 HydrophobicContact CD2-CD2 4.13Å; F108-L121 HydrophobicContact CD2-CG 4.12Å; F108-L121 HydrophobicContact CG-CD2 4.44Å; L111-L121 HydrophobicContact CD1-CD2 3.91Å; Y117-L121 WeakPolarHBondContact O-CB 3.46Å; Y117-L121 PolarHBondContact O-N 3.47Å; L121-N123 VanDerWaalsContact C-N 3.33Å; L121-N123 PolarHBondContact O-N 3.18Å; L121-Y124 PolarHBondContact O-N 3.23Å; L121-L125 HydrophobicContact CD1-CD1 4.14Å; L121-L125 HydrophobicContact CD1-CG 4.19Å; L121-L125 HydrophobicContact CG-CD1 3.92Å; L121-L125 HydrophobicContact CG-CG 4.43Å; L121-L125 WeakPolarHBondContact O-CB 3.48Å; L121-L125 VanDerWaalsContact O-CG 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.08Å; L121-I209 HydrophobicContact CB-CD1 4.43Å; L121-I209 HydrophobicContact CD1-CD1 4.21Å |
| 122 | R | 95.8 | Very high | 93.9 | Very high | 133 Ų | 133 | 43.8 Ų | 43.8 | 50% | 0.502 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 173.6 | -172.1 | -179.5 | 66.8 | -176.3 | -1.4 | 112.2 | F108 K118 H120 N126 | F108-R122 HydrophobicContact CE2-CB 3.74Å; F108-R122 HydrophobicContact CE2-CG 4.37Å; F108-R122 HydrophobicContact CZ-CB 4.3Å; F108-R122 HydrophobicContact CZ-CG 4.47Å; K118-R122 WeakPolarHBondContact O-CB 3.43Å; K118-R122 PolarHBondContact O-N 2.83Å; H120-R122 VanDerWaalsContact C-N 3.32Å; H120-R122 PolarHBondContact O-N 3.47Å; R122-N126 WeakPolarHBondContact O-CB 3.42Å; R122-N126 PolarHBondContact O-N 3.39Å; R122-N126 PolarHBondContact O-ND2 3.4Å |
| 123 | N | 96.5 | Very high | 94.3 | Very high | 73 Ų | 73 | 43 Ų | 43 | 39% | 0.39 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.6 | -48.3 | -179.7 | -69.2 | -10.9 | 0 | 0 | 0 | 110.7 | P119 H120 L121 L125 N126 E127 L205 | P119-N123 VanDerWaalsContact O-CG 3.22Å; P119-N123 PolarHBondContact O-N 2.6Å; P119-N123 VanDerWaalsContact O-N 3.12Å; P119-N123 PolarHBondContact O-OD1 3.01Å; H120-N123 WeakPolarHBondContact O-CB 3.48Å; H120-N123 PolarHBondContact O-N 3.33Å; H120-N123 VanDerWaalsContact O-N 3.11Å; L121-N123 VanDerWaalsContact C-N 3.33Å; L121-N123 PolarHBondContact O-N 3.18Å; N123-L125 PolarHBondContact O-N 2.84Å; N123-N126 PolarHBondContact O-N 3.04Å; N123-E127 PolarHBondContact O-N 2.8Å; N123-E127 VanDerWaalsContact O-N 3.08Å; N123-L205 HydrophobicContact CB-CD2 4.22Å |
| 124 | Y | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.9 | -50.5 | 174.6 | -179.1 | -86.1 | 0 | 0 | 0 | 111.7 | W64 A68 H120 L121 N126 E127 A128 L202 L205 A206 I209 | W64-Y124 AromaticContact CH2-CD1 3.65Å; W64-Y124 HydrophobicContact CH2-CD1 3.65Å; W64-Y124 AromaticContact CH2-CE1 3.95Å; W64-Y124 HydrophobicContact CH2-CE1 3.95Å; W64-Y124 HydrophobicContact CH2-CG 4.06Å; W64-Y124 AromaticContact CZ2-CD1 3.61Å; W64-Y124 HydrophobicContact CZ2-CD1 3.61Å; W64-Y124 AromaticContact CZ2-CE1 3.62Å; W64-Y124 HydrophobicContact CZ2-CE1 3.62Å; W64-Y124 HydrophobicContact CZ2-CG 4.47Å; A68-Y124 HydrophobicContact CB-CE2 4.14Å; H120-Y124 PolarHBondContact O-N 3.21Å; L121-Y124 PolarHBondContact O-N 3.23Å; Y124-N126 PolarHBondContact O-N 3.42Å; Y124-E127 PolarHBondContact O-N 3.45Å; Y124-A128 HydrophobicContact CD1-CB 4.41Å; Y124-A128 HydrophobicContact CE1-CB 4.14Å; Y124-A128 VanDerWaalsContact O-CB 3.25Å; Y124-A128 WeakPolarHBondContact O-CB 3.25Å; Y124-A128 PolarHBondContact O-N 3.43Å; Y124-L202 HydrophobicContact CD2-CD2 4.49Å; Y124-L202 WeakPolarHBondContact CD2-O 3.14Å; Y124-L202 HydrophobicContact CE2-CB 4.22Å; Y124-L202 HydrophobicContact CE2-CD2 4.33Å; Y124-L202 VanDerWaalsContact CE2-O 3.25Å; Y124-L202 WeakPolarHBondContact CE2-O 3.26Å; Y124-L205 HydrophobicContact CD2-CB 3.91Å; Y124-A206 HydrophobicContact CD2-CB 4.15Å; Y124-A206 HydrophobicContact CE2-CB 3.93Å; Y124-I209 HydrophobicContact CG-CD1 4.27Å |
| 125 | L | 97.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | -178.5 | -72.3 | 169.6 | 0 | 0 | 0 | 112.7 | F108 L121 N123 E127 R129 | F108-L125 HydrophobicContact CB-CD1 3.95Å; F108-L125 HydrophobicContact CD2-CD1 4.46Å; F108-L125 HydrophobicContact CG-CD1 4.27Å; L121-L125 HydrophobicContact CD1-CD1 4.14Å; L121-L125 HydrophobicContact CD1-CG 4.19Å; L121-L125 HydrophobicContact CG-CD1 3.92Å; L121-L125 HydrophobicContact CG-CG 4.43Å; L121-L125 WeakPolarHBondContact O-CB 3.48Å; L121-L125 VanDerWaalsContact O-CG 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.08Å; N123-L125 PolarHBondContact O-N 2.84Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-R129 WeakPolarHBondContact O-CB 3.4Å; L125-R129 WeakPolarHBondContact O-CD 3.4Å; L125-R129 WeakPolarHBondContact O-CG 3.37Å; L125-R129 PolarHBondContact O-N 2.76Å |
| 126 | N | 95.6 | Very high | 94.9 | Very high | 67 Ų | 67 | 34.5 Ų | 34.5 | 36% | 0.358 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.2 | -76 | -19.9 | 0 | 0 | 0 | 112 | R122 N123 Y124 R129 R130 | R122-N126 WeakPolarHBondContact O-CB 3.42Å; R122-N126 PolarHBondContact O-N 3.39Å; R122-N126 PolarHBondContact O-ND2 3.4Å; N123-N126 PolarHBondContact O-N 3.04Å; Y124-N126 PolarHBondContact O-N 3.42Å; N126-R129 PolarHBondContact OD1-NH1 3.11Å; N126-R130 WeakPolarHBondContact O-CG 3.4Å; N126-R130 PolarHBondContact O-N 2.88Å |
| 127 | E | 96.5 | Very high | 94.9 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 14% | 0.136 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.8 | -41.4 | 178.5 | -161.1 | 51.6 | -131.3 | 0 | 0 | 111.2 | N123 Y124 L125 R129 R130 V131 L202 L205 | N123-E127 PolarHBondContact O-N 2.8Å; N123-E127 VanDerWaalsContact O-N 3.08Å; Y124-E127 PolarHBondContact O-N 3.45Å; L125-E127 VanDerWaalsContact C-N 3.34Å; E127-R129 VanDerWaalsContact C-N 3.28Å; E127-R129 PolarHBondContact O-N 2.58Å; E127-R130 WeakPolarHBondContact O-CA 3.45Å; E127-R130 WeakPolarHBondContact O-CB 3.39Å; E127-R130 PolarHBondContact O-N 3.46Å; E127-R130 VanDerWaalsContact OE2-CD 3.31Å; E127-R130 WeakPolarHBondContact OE2-CD 3.14Å; E127-R130 IonicContact OE2-CZ 3.89Å; E127-R130 IonicContact OE2-NE 3.39Å; E127-R130 IonicContact OE2-NH1 3.57Å; E127-R130 PolarHBondContact OE2-NH1 2.92Å; E127-V131 WeakPolarHBondContact O-CG2 3.43Å; E127-V131 PolarHBondContact O-N 3.14Å; E127-L202 HydrophobicContact CB-CD2 3.84Å; E127-L202 HydrophobicContact CG-CD2 3.99Å; E127-L205 HydrophobicContact CB-CD1 3.79Å; E127-L205 HydrophobicContact CG-CD1 4.2Å |
| 128 | A | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.5 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L97 I101 Y124 R130 V131 I132 L202 | L97-A128 HydrophobicContact CD1-CB 3.8Å; L97-A128 HydrophobicContact CG-CB 4.39Å; I101-A128 HydrophobicContact CD1-CB 4.09Å; I101-A128 HydrophobicContact CG1-CB 3.8Å; Y124-A128 HydrophobicContact CD1-CB 4.41Å; Y124-A128 HydrophobicContact CE1-CB 4.14Å; Y124-A128 VanDerWaalsContact O-CB 3.25Å; Y124-A128 WeakPolarHBondContact O-CB 3.25Å; Y124-A128 PolarHBondContact O-N 3.43Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.23Å; A128-V131 PolarHBondContact O-N 3.42Å; A128-I132 WeakPolarHBondContact O-CB 3.16Å; A128-I132 PolarHBondContact O-N 3.39Å; A128-L202 HydrophobicContact CB-CD2 4.14Å |
| 129 | R | 96.5 | Very high | 94.4 | Very high | 48 Ų | 48 | 28.9 Ų | 28.9 | 18% | 0.181 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.8 | -30.7 | 174.6 | -73.3 | 167 | -179 | 149.7 | -4 | 113.3 | I101 D105 L125 N126 E127 I132 M133 Y156 F157 | I101-R129 HydrophobicContact CD1-CG 4.16Å; I101-R129 HydrophobicContact CG2-CG 4.27Å; D105-R129 IonicContact OD1-CZ 3.91Å; D105-R129 IonicContact OD1-NH2 3.8Å; D105-R129 PolarHBondContact OD1-NH2 3.23Å; D105-R129 IonicContact OD2-CZ 3.96Å; D105-R129 IonicContact OD2-NH2 2.6Å; D105-R129 PolarHBondContact OD2-NH2 2.98Å; L125-R129 WeakPolarHBondContact O-CB 3.4Å; L125-R129 WeakPolarHBondContact O-CD 3.4Å; L125-R129 WeakPolarHBondContact O-CG 3.37Å; L125-R129 PolarHBondContact O-N 2.76Å; N126-R129 PolarHBondContact OD1-NH1 3.11Å; E127-R129 VanDerWaalsContact C-N 3.28Å; E127-R129 PolarHBondContact O-N 2.58Å; R129-I132 WeakPolarHBondContact O-CG2 3.44Å; R129-M133 WeakPolarHBondContact O-CG 3.46Å; R129-Y156 HydrophobicContact CB-CG 4.27Å; R129-Y156 HydrophobicContact CG-CD1 3.82Å; R129-Y156 HydrophobicContact CG-CD2 4.42Å; R129-Y156 HydrophobicContact CG-CE1 4.35Å; R129-Y156 HydrophobicContact CG-CG 3.86Å; R129-F157 HydrophobicContact CB-CE2 4.21Å; R129-F157 HydrophobicContact CB-CZ 3.95Å; R129-F157 WeakPolarHBondContact O-CE2 3.37Å |
| 130 | R | 94.8 | Very high | 94 | Very high | 86 Ų | 86 | 26.8 Ų | 26.8 | 33% | 0.325 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -73.5 | -49.7 | 172.9 | -69.3 | 167.5 | 175.2 | 176.9 | -2.1 | 109.9 | N126 E127 A128 I132 M133 H134 F157 F169 | N126-R130 WeakPolarHBondContact O-CG 3.4Å; N126-R130 PolarHBondContact O-N 2.88Å; E127-R130 WeakPolarHBondContact O-CA 3.45Å; E127-R130 WeakPolarHBondContact O-CB 3.39Å; E127-R130 PolarHBondContact O-N 3.46Å; E127-R130 VanDerWaalsContact OE2-CD 3.31Å; E127-R130 WeakPolarHBondContact OE2-CD 3.14Å; E127-R130 IonicContact OE2-CZ 3.89Å; E127-R130 IonicContact OE2-NE 3.39Å; E127-R130 IonicContact OE2-NH1 3.57Å; E127-R130 PolarHBondContact OE2-NH1 2.92Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.23Å; R130-I132 VanDerWaalsContact C-N 3.28Å; R130-I132 PolarHBondContact O-N 3.18Å; R130-M133 WeakPolarHBondContact O-CB 3.39Å; R130-M133 PolarHBondContact O-N 3.48Å; R130-M133 VanDerWaalsContact O-N 3.1Å; R130-H134 PolarHBondContact O-CE1 2.85Å; R130-H134 PolarHBondContact O-N 2.95Å; R130-H134 PolarHBondContact O-ND1 2.93Å; R130-F157 HydrophobicContact CG-CE1 4.48Å; R130-F157 HydrophobicContact CG-CZ 3.9Å; R130-F169 HydrophobicContact CB-CE2 4.41Å; R130-F169 HydrophobicContact CG-CD2 4.46Å; R130-F169 HydrophobicContact CG-CE2 4.08Å; R130-F169 HydrophobicContact CG-CZ 4.45Å |
| 131 | V | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.9 | -45.5 | -179.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L97 E127 A128 M133 H134 L135 W191 V198 L199 L202 | L97-V131 HydrophobicContact CD2-CB 4.04Å; L97-V131 HydrophobicContact CD2-CG1 3.79Å; E127-V131 WeakPolarHBondContact O-CG2 3.43Å; E127-V131 PolarHBondContact O-N 3.14Å; A128-V131 PolarHBondContact O-N 3.42Å; V131-M133 VanDerWaalsContact C-N 3.26Å; V131-M133 PolarHBondContact O-N 3.37Å; V131-H134 WeakPolarHBondContact O-CA 3.26Å; V131-H134 WeakPolarHBondContact O-CB 3.49Å; V131-H134 PolarHBondContact O-N 3.02Å; V131-L135 HydrophobicContact CG1-CD1 4.37Å; V131-L135 HydrophobicContact CG1-CG 4.43Å; V131-L135 PolarHBondContact O-N 3.34Å; V131-W191 HydrophobicContact CG1-CH2 4.21Å; V131-V198 HydrophobicContact CG2-CG1 3.35Å; V131-L199 HydrophobicContact CG1-CD2 3.98Å; V131-L202 HydrophobicContact CB-CD1 3.97Å; V131-L202 HydrophobicContact CG1-CD1 3.95Å; V131-L202 HydrophobicContact CG2-CD1 3.75Å; V131-L202 HydrophobicContact CG2-CD2 4.4Å; V131-L202 HydrophobicContact CG2-CG 4.09Å |
| 132 | I | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.5 | -34.6 | -178.6 | -155.5 | 172.2 | 0 | 0 | 0 | 112.7 | L97 E98 I101 A128 R129 R130 H134 L135 Y136 Y156 | L97-I132 HydrophobicContact CB-CD1 4.3Å; L97-I132 HydrophobicContact CD2-CB 3.79Å; L97-I132 HydrophobicContact CD2-CG1 4.24Å; L97-I132 HydrophobicContact CG-CB 4.36Å; L97-I132 HydrophobicContact CG-CD1 4.47Å; E98-I132 HydrophobicContact CB-CD1 4.31Å; E98-I132 HydrophobicContact CG-CD1 3.3Å; I101-I132 HydrophobicContact CD1-CB 4.3Å; I101-I132 HydrophobicContact CD1-CD1 4.1Å; I101-I132 HydrophobicContact CD1-CG2 4.06Å; A128-I132 WeakPolarHBondContact O-CB 3.16Å; A128-I132 PolarHBondContact O-N 3.39Å; R129-I132 WeakPolarHBondContact O-CG2 3.44Å; R130-I132 VanDerWaalsContact C-N 3.28Å; R130-I132 PolarHBondContact O-N 3.18Å; I132-H134 VanDerWaalsContact C-N 3.28Å; I132-H134 PolarHBondContact O-N 3.48Å; I132-L135 PolarHBondContact O-N 3Å; I132-Y136 HydrophobicContact CD1-CE2 3.98Å; I132-Y136 HydrophobicContact CG1-CD2 3.98Å; I132-Y136 HydrophobicContact CG1-CE2 3.77Å; I132-Y136 VanDerWaalsContact O-CD2 3.24Å; I132-Y136 WeakPolarHBondContact O-CD2 3.3Å; I132-Y136 PolarHBondContact O-N 3.45Å; I132-Y156 HydrophobicContact CG2-CD2 3.92Å; I132-Y156 HydrophobicContact CG2-CE2 3.64Å |
| 133 | M | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 173.9 | -69.3 | -57.1 | -48.6 | 0 | 0 | 111.8 | R129 R130 V131 Y136 L137 C149 K152 L153 F157 F169 F173 | R129-M133 WeakPolarHBondContact O-CG 3.46Å; R130-M133 WeakPolarHBondContact O-CB 3.39Å; R130-M133 PolarHBondContact O-N 3.48Å; R130-M133 VanDerWaalsContact O-N 3.1Å; V131-M133 VanDerWaalsContact C-N 3.26Å; V131-M133 PolarHBondContact O-N 3.37Å; M133-Y136 PolarHBondContact O-N 3.05Å; M133-L137 PolarHBondContact O-N 3.11Å; M133-C149 WeakPolarHBondContact CE-O 3.16Å; M133-K152 HydrophobicContact SD-CB 3.74Å; M133-L153 HydrophobicContact CE-CB 3.77Å; M133-L153 HydrophobicContact CE-CD1 4.09Å; M133-L153 HydrophobicContact SD-CB 4.38Å; M133-F157 HydrophobicContact CG-CD2 4.2Å; M133-F157 HydrophobicContact CG-CE2 3.76Å; M133-F169 HydrophobicContact CB-CE1 4.44Å; M133-F169 HydrophobicContact CB-CZ 4.09Å; M133-F169 HydrophobicContact CG-CE1 4.12Å; M133-F169 HydrophobicContact CG-CZ 4.21Å; M133-F173 HydrophobicContact CB-CE2 3.86Å; M133-F173 HydrophobicContact CB-CZ 3.89Å; M133-F173 HydrophobicContact CE-CD1 3.81Å; M133-F173 HydrophobicContact CE-CE1 3.32Å; M133-F173 HydrophobicContact CE-CE2 4.41Å; M133-F173 HydrophobicContact CE-CZ 3.67Å; M133-F173 VanDerWaalsContact O-CZ 3.31Å; M133-F173 WeakPolarHBondContact O-CZ 3.34Å |
| 134 | H | 93.1 | Very high | 91.5 | Very high | 24 Ų | 24 | 27.2 Ų | 27.2 | 11% | 0.111 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.3 | -38.4 | 176.8 | -59.4 | 79.8 | 0 | 0 | 0 | 111.5 | R130 V131 I132 Y136 L137 E138 Y186 W191 | R130-H134 PolarHBondContact O-CE1 2.85Å; R130-H134 PolarHBondContact O-N 2.95Å; R130-H134 PolarHBondContact O-ND1 2.93Å; V131-H134 WeakPolarHBondContact O-CA 3.26Å; V131-H134 WeakPolarHBondContact O-CB 3.49Å; V131-H134 PolarHBondContact O-N 3.02Å; I132-H134 VanDerWaalsContact C-N 3.28Å; I132-H134 PolarHBondContact O-N 3.48Å; H134-Y136 VanDerWaalsContact C-N 3.33Å; H134-Y136 PolarHBondContact O-N 2.87Å; H134-L137 VanDerWaalsContact O-CB 3.3Å; H134-L137 WeakPolarHBondContact O-CB 3.47Å; H134-L137 PolarHBondContact O-N 3.05Å; H134-L137 VanDerWaalsContact O-N 3.1Å; H134-E138 PolarHBondContact O-N 2.9Å; H134-Y186 AromaticContact CD2-CE1 3.84Å; H134-Y186 AromaticContact CD2-CZ 3.91Å; H134-Y186 PolarHBondContact CD2-OH 3.29Å; H134-Y186 PolarHBondContact NE2-OH 3.26Å; H134-W191 HydrophobicContact CB-CD2 3.59Å; H134-W191 HydrophobicContact CB-CE3 3.69Å; H134-W191 HydrophobicContact CB-CG 4.3Å; H134-W191 HydrophobicContact CB-CH2 3.74Å; H134-W191 HydrophobicContact CB-CZ2 3.61Å; H134-W191 HydrophobicContact CB-CZ3 3.77Å; H134-W191 AromaticContact CD2-CE3 3.69Å; H134-W191 AromaticContact CG-CE3 3.75Å; H134-W191 AromaticContact CG-CZ3 3.88Å |
| 135 | L | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 173.3 | -63 | 177.1 | 0 | 0 | 0 | 111.7 | W93 Q94 L97 V131 I132 L137 E138 S139 W191 | W93-L135 HydrophobicContact CB-CD1 4.03Å; W93-L135 HydrophobicContact CE3-CD2 4.39Å; Q94-L135 HydrophobicContact CG-CB 3.65Å; Q94-L135 HydrophobicContact CG-CD1 4.37Å; Q94-L135 VanDerWaalsContact NE2-C 3.32Å; Q94-L135 PolarHBondContact NE2-O 3.19Å; L97-L135 HydrophobicContact CD2-CD1 4.15Å; V131-L135 HydrophobicContact CG1-CD1 4.37Å; V131-L135 HydrophobicContact CG1-CG 4.43Å; V131-L135 PolarHBondContact O-N 3.34Å; I132-L135 PolarHBondContact O-N 3Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 2.96Å; L135-E138 WeakPolarHBondContact CD2-OE1 3.49Å; L135-E138 WeakPolarHBondContact O-CB 3.35Å; L135-E138 PolarHBondContact O-N 3.23Å; L135-S139 PolarHBondContact O-N 3.39Å; L135-W191 HydrophobicContact CD2-CZ2 4.11Å |
| 136 | Y | 91.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67 | -30.1 | 173.3 | -83.8 | -65.6 | 0 | 0 | 0 | 113.1 | Q94 E98 I132 M133 H134 E138 S139 F140 P148 C149 K152 | Q94-Y136 HydrophobicContact CG-CE1 4.45Å; Q94-Y136 HydrophobicContact CG-CE2 4.45Å; E98-Y136 VanDerWaalsContact CD-OH 3.29Å; E98-Y136 PolarHBondContact OE1-OH 3.13Å; I132-Y136 HydrophobicContact CD1-CE2 3.98Å; I132-Y136 HydrophobicContact CG1-CD2 3.98Å; I132-Y136 HydrophobicContact CG1-CE2 3.77Å; I132-Y136 VanDerWaalsContact O-CD2 3.24Å; I132-Y136 WeakPolarHBondContact O-CD2 3.3Å; I132-Y136 PolarHBondContact O-N 3.45Å; M133-Y136 PolarHBondContact O-N 3.05Å; H134-Y136 VanDerWaalsContact C-N 3.33Å; H134-Y136 PolarHBondContact O-N 2.87Å; Y136-E138 VanDerWaalsContact C-N 3.33Å; Y136-S139 PolarHBondContact O-N 2.86Å; Y136-S139 PolarHBondContact O-OG 3.38Å; Y136-F140 WeakPolarHBondContact O-CB 3.37Å; Y136-F140 PolarHBondContact O-N 2.91Å; Y136-P148 HydrophobicContact CD1-CB 3.75Å; Y136-P148 HydrophobicContact CE1-CB 3.89Å; Y136-C149 VanDerWaalsContact C-SG 3.56Å; Y136-C149 PolarHBondContact O-SG 3.34Å; Y136-K152 HydrophobicContact CD2-CB 4.22Å; Y136-K152 HydrophobicContact CD2-CG 3.85Å; Y136-K152 HydrophobicContact CE2-CB 4.34Å; Y136-K152 HydrophobicContact CE2-CD 3.89Å; Y136-K152 HydrophobicContact CE2-CG 3.54Å |
| 137 | L | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 173.9 | -167.8 | 69.8 | 0 | 0 | 0 | 111.7 | M133 H134 L135 F140 S141 F173 L176 L177 V183 Y186 L187 | M133-L137 PolarHBondContact O-N 3.11Å; H134-L137 VanDerWaalsContact O-CB 3.3Å; H134-L137 WeakPolarHBondContact O-CB 3.47Å; H134-L137 PolarHBondContact O-N 3.05Å; H134-L137 VanDerWaalsContact O-N 3.1Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 2.96Å; L137-F140 HydrophobicContact CD1-CD1 4.17Å; L137-F140 PolarHBondContact O-N 2.75Å; L137-S141 PolarHBondContact O-N 2.88Å; L137-F173 HydrophobicContact CB-CZ 4.09Å; L137-F173 HydrophobicContact CD1-CZ 4.2Å; L137-L176 HydrophobicContact CD1-CD2 4.46Å; L137-L176 HydrophobicContact CD2-CD2 3.43Å; L137-L176 VanDerWaalsContact CD2-CD2 3.43Å; L137-L176 HydrophobicContact CD2-CG 4.21Å; L137-L177 HydrophobicContact CD1-CD2 3.63Å; L137-V183 HydrophobicContact CD1-CB 4.37Å; L137-V183 HydrophobicContact CD1-CG1 3.65Å; L137-V183 HydrophobicContact CD1-CG2 3.83Å; L137-V183 HydrophobicContact CD2-CG1 4.2Å; L137-V183 HydrophobicContact CG-CG1 3.71Å; L137-Y186 HydrophobicContact CD2-CD1 3.64Å; L137-Y186 HydrophobicContact CD2-CE1 3.88Å; L137-L187 HydrophobicContact CB-CD2 4.37Å; L137-L187 HydrophobicContact CD2-CD2 3.92Å; L137-L187 HydrophobicContact CD2-CG 4.27Å; L137-L187 HydrophobicContact CG-CD2 4.11Å; L137-L187 HydrophobicContact CG-CG 4.43Å |
| 138 | E | 89.5 | Confident | 89.9 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -48 | 172 | -66 | -178.7 | -134 | 0 | 0 | 111.1 | H134 L135 Y136 F140 S141 L187 W191 F192 K195 | H134-E138 PolarHBondContact O-N 2.9Å; L135-E138 WeakPolarHBondContact CD2-OE1 3.49Å; L135-E138 WeakPolarHBondContact O-CB 3.35Å; L135-E138 PolarHBondContact O-N 3.23Å; Y136-E138 VanDerWaalsContact C-N 3.33Å; E138-F140 PolarHBondContact O-N 3.41Å; E138-S141 WeakPolarHBondContact O-CB 3.39Å; E138-S141 PolarHBondContact O-N 3.45Å; E138-S141 PolarHBondContact O-OG 3.32Å; E138-L187 HydrophobicContact CG-CD2 3.99Å; E138-W191 VanDerWaalsContact CD-NE1 3.33Å; E138-W191 PolarHBondContact OE1-NE1 3.08Å; E138-F192 HydrophobicContact CG-CE1 3.76Å; E138-F192 HydrophobicContact CG-CZ 4.35Å; E138-K195 WeakPolarHBondContact OE1-CE 3.25Å; E138-K195 IonicContact OE1-NZ 2.74Å; E138-K195 PolarHBondContact OE1-NZ 3.03Å; E138-K195 IonicContact OE2-NZ 2.81Å; E138-K195 PolarHBondContact OE2-NZ 3.25Å |
| 139 | S | 86.5 | Confident | 89.6 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 178.7 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | Q94 L135 Y136 S141 S142 T143 | Q94-S139 PolarHBondContact NE2-OG 3.31Å; L135-S139 PolarHBondContact O-N 3.39Å; Y136-S139 PolarHBondContact O-N 2.86Å; Y136-S139 PolarHBondContact O-OG 3.38Å; S139-S141 PolarHBondContact O-N 2.8Å; S139-S142 PolarHBondContact O-N 3.16Å; S139-S142 PolarHBondContact O-OG 2.92Å; S139-T143 PolarHBondContact O-N 3.22Å; S139-T143 PolarHBondContact O-OG1 2.89Å |
| 140 | F | 86.2 | Confident | 89.4 | Confident | 13 Ų | 13 | 35.4 Ų | 35.4 | 6% | 0.057 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.3 | -40 | 173.2 | 169.3 | -117.6 | 0 | 0 | 0 | 113 | Y136 L137 E138 S142 N144 D145 C146 L177 V183 | Y136-F140 WeakPolarHBondContact O-CB 3.37Å; Y136-F140 PolarHBondContact O-N 2.91Å; L137-F140 HydrophobicContact CD1-CD1 4.17Å; L137-F140 PolarHBondContact O-N 2.75Å; E138-F140 PolarHBondContact O-N 3.41Å; F140-S142 PolarHBondContact O-N 3.5Å; F140-N144 VanDerWaalsContact O-CA 3.29Å; F140-N144 WeakPolarHBondContact O-CA 3.38Å; F140-N144 PolarHBondContact O-N 3.32Å; F140-D145 VanDerWaalsContact CD2-C 3.41Å; F140-D145 WeakPolarHBondContact CD2-O 3.35Å; F140-C146 HydrophobicContact CD2-CB 3.87Å; F140-C146 HydrophobicContact CE2-CB 3.71Å; F140-C146 HydrophobicContact CZ-CB 4.33Å; F140-L177 HydrophobicContact CD1-CD2 4.13Å; F140-L177 HydrophobicContact CE1-CD2 4.32Å; F140-V183 HydrophobicContact CD1-CB 4.47Å; F140-V183 HydrophobicContact CD1-CG1 4.04Å; F140-V183 HydrophobicContact CD1-CG2 4.08Å; F140-V183 HydrophobicContact CE1-CB 4.29Å; F140-V183 HydrophobicContact CE1-CG1 4.33Å; F140-V183 HydrophobicContact CE1-CG2 3.75Å |
| 141 | S | 83.8 | Confident | 89.3 | Confident | 25 Ų | 25 | 35 Ų | 35 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -32.4 | -179.7 | 77.9 | 0 | 0 | 0 | 0 | 113 | L137 E138 S139 L187 | L137-S141 PolarHBondContact O-N 2.88Å; E138-S141 WeakPolarHBondContact O-CB 3.39Å; E138-S141 PolarHBondContact O-N 3.45Å; E138-S141 PolarHBondContact O-OG 3.32Å; S139-S141 PolarHBondContact O-N 2.8Å; S141-L187 VanDerWaalsContact CB-CD1 3.44Å |
| 142 | S | 81.5 | Confident | 89.3 | Confident | 59 Ų | 59 | 36.5 Ų | 36.5 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -88.5 | -46.3 | 178.8 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | L87 S139 F140 | L87-S142 WeakPolarHBondContact CD2-OG 3.35Å; S139-S142 PolarHBondContact O-N 3.16Å; S139-S142 PolarHBondContact O-OG 2.92Å; F140-S142 PolarHBondContact O-N 3.5Å |
| 143 | T | 84.9 | Confident | 89.3 | Confident | 86 Ų | 86 | 36.5 Ų | 36.5 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -86 | -21.2 | -173.2 | 62.6 | 0 | 0 | 0 | 0 | 113 | S139 D145 | S139-T143 PolarHBondContact O-N 3.22Å; S139-T143 PolarHBondContact O-OG1 2.89Å; T143-D145 PolarHBondContact O-N 3.14Å; T143-D145 PolarHBondContact OG1-N 3.17Å |
| 144 | N | 81.9 | Confident | 89.3 | Confident | 91 Ų | 91 | 40.3 Ų | 40.3 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | trans | 58.6 | 16.8 | -169.8 | -157.6 | 69.6 | 0 | 0 | 0 | 113.8 | F140 | F140-N144 VanDerWaalsContact O-CA 3.29Å; F140-N144 WeakPolarHBondContact O-CA 3.38Å; F140-N144 PolarHBondContact O-N 3.32Å | ||
| 145 | D | 86 | Confident | 89.3 | Confident | 73 Ų | 73 | 44 Ų | 44 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | trans | -98.5 | 109.3 | 172.4 | -178.6 | 15.5 | 0 | 0 | 0 | 110.5 | F140 T143 T147 P148 | F140-D145 VanDerWaalsContact CD2-C 3.41Å; F140-D145 WeakPolarHBondContact CD2-O 3.35Å; T143-D145 PolarHBondContact O-N 3.14Å; T143-D145 PolarHBondContact OG1-N 3.17Å; D145-T147 VanDerWaalsContact C-N 3.35Å; D145-T147 WeakPolarHBondContact OD1-CB 3.21Å; D145-T147 PolarHBondContact OD1-N 3.41Å; D145-T147 PolarHBondContact OD1-OG1 2.94Å; D145-P148 WeakPolarHBondContact OD2-CD 3.43Å | ||
| 146 | C | 86.7 | Confident | 89.4 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 28% | 0.284 | 25% | 0.251 | S | S | . | . | trans | -87.1 | -6.5 | 179.4 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | F140 C149 F150 | F140-C146 HydrophobicContact CD2-CB 3.87Å; F140-C146 HydrophobicContact CE2-CB 3.71Å; F140-C146 HydrophobicContact CZ-CB 4.33Å; C146-C149 WeakPolarHBondContact O-CB 3.48Å; C146-C149 PolarHBondContact O-N 3.49Å; C146-C149 VanDerWaalsContact O-N 3.11Å; C146-F150 HydrophobicContact CB-CD2 4.01Å; C146-F150 HydrophobicContact CB-CE2 3.81Å; C146-F150 VanDerWaalsContact O-CD2 3.27Å; C146-F150 WeakPolarHBondContact O-CD2 3.32Å; C146-F150 PolarHBondContact O-N 2.81Å; C146-F150 VanDerWaalsContact SG-CE2 3.56Å | ||
| 147 | T | 90.5 | Very high | 89.5 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 52% | 0.515 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -56.5 | -46.3 | -176.9 | -48.3 | 0 | 0 | 0 | 0 | 112.1 | D145 C149 F150 T151 | D145-T147 VanDerWaalsContact C-N 3.35Å; D145-T147 WeakPolarHBondContact OD1-CB 3.21Å; D145-T147 PolarHBondContact OD1-N 3.41Å; D145-T147 PolarHBondContact OD1-OG1 2.94Å; T147-C149 VanDerWaalsContact C-N 3.32Å; T147-C149 PolarHBondContact O-N 3.36Å; T147-F150 PolarHBondContact O-N 2.85Å; T147-T151 PolarHBondContact O-N 3.43Å; T147-T151 PolarHBondContact O-OG1 3.3Å; T147-T151 VanDerWaalsContact O-OG1 3.06Å |
| 148 | P | 90.4 | Very high | 89.7 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 28% | 0.279 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.7 | -23.6 | 35.7 | 0 | 0 | 0 | 112.4 | Y136 D145 F150 T151 K152 | Y136-P148 HydrophobicContact CD1-CB 3.75Å; Y136-P148 HydrophobicContact CE1-CB 3.89Å; D145-P148 WeakPolarHBondContact OD2-CD 3.43Å; P148-F150 PolarHBondContact O-N 3.23Å; P148-T151 PolarHBondContact O-N 3.48Å; P148-K152 WeakPolarHBondContact O-CB 3.28Å; P148-K152 WeakPolarHBondContact O-CG 3.5Å; P148-K152 PolarHBondContact O-N 2.86Å |
| 149 | C | 91 | Very high | 89.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 176.1 | -71.4 | 0 | 0 | 0 | 0 | 111.4 | M133 Y136 C146 T147 K152 L153 F173 L177 | M133-C149 WeakPolarHBondContact CE-O 3.16Å; Y136-C149 VanDerWaalsContact C-SG 3.56Å; Y136-C149 PolarHBondContact O-SG 3.34Å; C146-C149 WeakPolarHBondContact O-CB 3.48Å; C146-C149 PolarHBondContact O-N 3.49Å; C146-C149 VanDerWaalsContact O-N 3.11Å; T147-C149 VanDerWaalsContact C-N 3.32Å; T147-C149 PolarHBondContact O-N 3.36Å; C149-K152 PolarHBondContact O-N 3.09Å; C149-L153 WeakPolarHBondContact O-CB 3.35Å; C149-L153 PolarHBondContact O-N 3.25Å; C149-F173 HydrophobicContact CB-CE1 4.46Å; C149-L177 HydrophobicContact CB-CD1 4.09Å; C149-L177 HydrophobicContact CB-CD2 4.18Å |
| 150 | F | 92.2 | Very high | 90.1 | Very high | 76 Ų | 76 | 53.9 Ų | 53.9 | 33% | 0.333 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | -179.6 | -76.7 | -66.4 | 0 | 0 | 0 | 112.8 | C146 T147 P148 K152 L153 N154 L174 L177 | C146-F150 HydrophobicContact CB-CD2 4.01Å; C146-F150 HydrophobicContact CB-CE2 3.81Å; C146-F150 VanDerWaalsContact O-CD2 3.27Å; C146-F150 WeakPolarHBondContact O-CD2 3.32Å; C146-F150 PolarHBondContact O-N 2.81Å; C146-F150 VanDerWaalsContact SG-CE2 3.56Å; T147-F150 PolarHBondContact O-N 2.85Å; P148-F150 PolarHBondContact O-N 3.23Å; F150-K152 VanDerWaalsContact C-N 3.35Å; F150-K152 PolarHBondContact O-N 3.35Å; F150-L153 PolarHBondContact O-N 2.94Å; F150-N154 WeakPolarHBondContact O-CB 3.19Å; F150-N154 VanDerWaalsContact O-CG 3.29Å; F150-N154 PolarHBondContact O-N 3.13Å; F150-N154 PolarHBondContact O-ND2 3.17Å; F150-L174 HydrophobicContact CD1-CD2 4.18Å; F150-L174 HydrophobicContact CE1-CD2 3.54Å; F150-L177 HydrophobicContact CD1-CD1 4.4Å; F150-L177 HydrophobicContact CE1-CD1 4.02Å; F150-L177 HydrophobicContact CE2-CD1 4.43Å; F150-L177 HydrophobicContact CZ-CB 4.41Å; F150-L177 HydrophobicContact CZ-CD1 4.04Å |
| 151 | T | 93.9 | Very high | 90.3 | Very high | 76 Ų | 76 | 55.6 Ų | 55.6 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.7 | -49.4 | 176.1 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | T147 P148 N154 Q155 | T147-T151 PolarHBondContact O-N 3.43Å; T147-T151 PolarHBondContact O-OG1 3.3Å; T147-T151 VanDerWaalsContact O-OG1 3.06Å; P148-T151 PolarHBondContact O-N 3.48Å; T151-N154 PolarHBondContact O-N 2.71Å; T151-Q155 WeakPolarHBondContact O-CB 3.04Å; T151-Q155 PolarHBondContact O-N 2.7Å |
| 152 | K | 94.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.7 | -35.4 | -178.3 | -61.7 | -72.3 | 161.6 | -176.2 | 0 | 112.6 | E98 M133 Y136 P148 C149 F150 N154 Q155 Y156 | E98-K152 WeakPolarHBondContact OE1-CD 3.38Å; E98-K152 WeakPolarHBondContact OE1-CE 3.45Å; E98-K152 IonicContact OE1-NZ 2.88Å; E98-K152 PolarHBondContact OE1-NZ 3.17Å; E98-K152 IonicContact OE2-NZ 3.79Å; M133-K152 HydrophobicContact SD-CB 3.74Å; Y136-K152 HydrophobicContact CD2-CB 4.22Å; Y136-K152 HydrophobicContact CD2-CG 3.85Å; Y136-K152 HydrophobicContact CE2-CB 4.34Å; Y136-K152 HydrophobicContact CE2-CD 3.89Å; Y136-K152 HydrophobicContact CE2-CG 3.54Å; P148-K152 WeakPolarHBondContact O-CB 3.28Å; P148-K152 WeakPolarHBondContact O-CG 3.5Å; P148-K152 PolarHBondContact O-N 2.86Å; C149-K152 PolarHBondContact O-N 3.09Å; F150-K152 VanDerWaalsContact C-N 3.35Å; F150-K152 PolarHBondContact O-N 3.35Å; K152-N154 VanDerWaalsContact C-N 3.34Å; K152-N154 PolarHBondContact O-N 3.38Å; K152-Q155 VanDerWaalsContact NZ-OE1 3.11Å; K152-Q155 PolarHBondContact O-N 3.38Å; K152-Y156 HydrophobicContact CB-CD2 4.33Å; K152-Y156 HydrophobicContact CB-CE2 4.33Å; K152-Y156 HydrophobicContact CD-CE2 3.92Å; K152-Y156 WeakPolarHBondContact O-CD2 3.25Å; K152-Y156 PolarHBondContact O-N 3.25Å |
| 153 | L | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 172.6 | -173.2 | 67.8 | 0 | 0 | 0 | 111 | M133 C149 F150 F157 F169 R170 F173 L174 | M133-L153 HydrophobicContact CE-CB 3.77Å; M133-L153 HydrophobicContact CE-CD1 4.09Å; M133-L153 HydrophobicContact SD-CB 4.38Å; C149-L153 WeakPolarHBondContact O-CB 3.35Å; C149-L153 PolarHBondContact O-N 3.25Å; F150-L153 PolarHBondContact O-N 2.94Å; L153-F157 HydrophobicContact CD1-CB 4.09Å; L153-F157 HydrophobicContact CD1-CD2 4.17Å; L153-F157 HydrophobicContact CD1-CG 4.47Å; L153-F157 CarbonylContact O-C 3.52Å; L153-F157 WeakPolarHBondContact O-CA 3.45Å; L153-F157 WeakPolarHBondContact O-CB 3.36Å; L153-F157 PolarHBondContact O-N 3.27Å; L153-F169 HydrophobicContact CD1-CD1 4.38Å; L153-F169 HydrophobicContact CD1-CE1 4.14Å; L153-R170 HydrophobicContact CD1-CG 4.37Å; L153-R170 HydrophobicContact CD2-CG 4.08Å; L153-R170 HydrophobicContact CG-CG 4.28Å; L153-F173 HydrophobicContact CD1-CB 4.21Å; L153-F173 HydrophobicContact CD1-CD1 4.28Å; L153-F173 HydrophobicContact CD1-CG 4.38Å; L153-F173 HydrophobicContact CD2-CD1 4.42Å; L153-L174 HydrophobicContact CD2-CD2 3.71Å; L153-L174 HydrophobicContact CD2-CG 4.01Å |
| 154 | N | 94 | Very high | 91.6 | Very high | 80 Ų | 80 | 63.4 Ų | 63.4 | 43% | 0.428 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.4 | -30.8 | 177.7 | -68.9 | -25.8 | 0 | 0 | 0 | 112.7 | F150 T151 K152 P158 R170 | F150-N154 WeakPolarHBondContact O-CB 3.19Å; F150-N154 VanDerWaalsContact O-CG 3.29Å; F150-N154 PolarHBondContact O-N 3.13Å; F150-N154 PolarHBondContact O-ND2 3.17Å; T151-N154 PolarHBondContact O-N 2.71Å; K152-N154 VanDerWaalsContact C-N 3.34Å; K152-N154 PolarHBondContact O-N 3.38Å; N154-P158 WeakPolarHBondContact O-CA 3.33Å; N154-P158 WeakPolarHBondContact O-CB 3.18Å; N154-R170 VanDerWaalsContact OD1-CZ 3.3Å; N154-R170 PolarHBondContact OD1-NH1 2.89Å; N154-R170 PolarHBondContact OD1-NH2 3.23Å |
| 155 | Q | 94.3 | Very high | 92.1 | Very high | 103 Ų | 103 | 66.3 Ų | 66.3 | 48% | 0.481 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.5 | -50.5 | 176.9 | -175.9 | 179.8 | -0.7 | 0 | 0 | 111.9 | T151 K152 | T151-Q155 WeakPolarHBondContact O-CB 3.04Å; T151-Q155 PolarHBondContact O-N 2.7Å; K152-Q155 VanDerWaalsContact NZ-OE1 3.11Å; K152-Q155 PolarHBondContact O-N 3.38Å |
| 156 | Y | 93.8 | Very high | 92.3 | Very high | 23 Ų | 23 | 63.5 Ų | 63.5 | 9% | 0.09 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -95 | -23.1 | -173 | -59.4 | -46.7 | 0 | 0 | 0 | 114.2 | I101 R129 I132 K152 | I101-Y156 HydrophobicContact CG2-CE1 3.76Å; R129-Y156 HydrophobicContact CB-CG 4.27Å; R129-Y156 HydrophobicContact CG-CD1 3.82Å; R129-Y156 HydrophobicContact CG-CD2 4.42Å; R129-Y156 HydrophobicContact CG-CE1 4.35Å; R129-Y156 HydrophobicContact CG-CG 3.86Å; I132-Y156 HydrophobicContact CG2-CD2 3.92Å; I132-Y156 HydrophobicContact CG2-CE2 3.64Å; K152-Y156 HydrophobicContact CB-CD2 4.33Å; K152-Y156 HydrophobicContact CB-CE2 4.33Å; K152-Y156 HydrophobicContact CD-CE2 3.92Å; K152-Y156 WeakPolarHBondContact O-CD2 3.25Å; K152-Y156 PolarHBondContact O-N 3.25Å |
| 157 | F | 94.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 64.9 Ų | 64.9 | 6% | 0.057 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -133.7 | 64.8 | -178.6 | -56.2 | -80.6 | 0 | 0 | 0 | 110 | R129 R130 M133 L153 V166 F169 R170 | R129-F157 HydrophobicContact CB-CE2 4.21Å; R129-F157 HydrophobicContact CB-CZ 3.95Å; R129-F157 WeakPolarHBondContact O-CE2 3.37Å; R130-F157 HydrophobicContact CG-CE1 4.48Å; R130-F157 HydrophobicContact CG-CZ 3.9Å; M133-F157 HydrophobicContact CG-CD2 4.2Å; M133-F157 HydrophobicContact CG-CE2 3.76Å; L153-F157 HydrophobicContact CD1-CB 4.09Å; L153-F157 HydrophobicContact CD1-CD2 4.17Å; L153-F157 HydrophobicContact CD1-CG 4.47Å; L153-F157 CarbonylContact O-C 3.52Å; L153-F157 WeakPolarHBondContact O-CA 3.45Å; L153-F157 WeakPolarHBondContact O-CB 3.36Å; L153-F157 PolarHBondContact O-N 3.27Å; F157-V166 HydrophobicContact CB-CG1 3.9Å; F157-V166 HydrophobicContact CD1-CG1 4.09Å; F157-V166 HydrophobicContact CD1-CG2 4.36Å; F157-F169 AromaticContact CD1-CD1 3.85Å; F157-F169 HydrophobicContact CD1-CD1 3.85Å; F157-F169 HydrophobicContact CD1-CE1 4.4Å; F157-F169 HydrophobicContact CD1-CG 4.48Å; F157-F169 AromaticContact CD2-CD1 3.88Å; F157-F169 HydrophobicContact CD2-CD1 3.88Å; F157-F169 AromaticContact CD2-CE1 3.69Å; F157-F169 HydrophobicContact CD2-CE1 3.69Å; F157-F169 AromaticContact CE1-CD1 3.96Å; F157-F169 HydrophobicContact CE1-CD1 3.96Å; F157-F169 HydrophobicContact CE1-CE1 4.3Å; F157-F169 HydrophobicContact CE1-CG 4.39Å; F157-F169 HydrophobicContact CE2-CD1 4Å; F157-F169 AromaticContact CE2-CE1 3.57Å; F157-F169 HydrophobicContact CE2-CE1 3.57Å; F157-F169 HydrophobicContact CE2-CZ 4.24Å; F157-F169 AromaticContact CG-CD1 3.8Å; F157-F169 HydrophobicContact CG-CD1 3.8Å; F157-F169 HydrophobicContact CG-CE1 4.11Å; F157-F169 HydrophobicContact CZ-CD1 4.04Å; F157-F169 AromaticContact CZ-CE1 3.89Å; F157-F169 HydrophobicContact CZ-CE1 3.89Å; F157-F169 HydrophobicContact CZ-CZ 4.37Å; F157-R170 PolarHBondContact O-NH1 3.5Å; F157-R170 VanDerWaalsContact O-NH1 3.09Å |
| 158 | P | 93.5 | Very high | 92.8 | Very high | 40 Ų | 40 | 64.3 Ų | 64.3 | 26% | 0.26 | 36% | 0.356 | S | S | . | . | trans | -64.7 | 143.4 | -174.2 | 24.1 | -29.4 | 0 | 0 | 0 | 111 | N154 S160 D161 | N154-P158 WeakPolarHBondContact O-CA 3.33Å; N154-P158 WeakPolarHBondContact O-CB 3.18Å; P158-S160 PolarHBondContact O-N 3.28Å; P158-S160 VanDerWaalsContact O-N 3.14Å; P158-D161 HydrophobicContact CG-CB 4.16Å; P158-D161 WeakPolarHBondContact O-CB 3.3Å; P158-D161 PolarHBondContact O-N 3.48Å | ||
| 159 | A | 91.3 | Very high | 93 | Very high | 61 Ų | 61 | 63 Ų | 63 | 50% | 0.504 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D161 Q167 | A159-D161 VanDerWaalsContact C-N 3.32Å; A159-Q167 PolarHBondContact O-NE2 3.44Å |
| 160 | S | 92.9 | Very high | 93.1 | Very high | 110 Ų | 110 | 64.8 Ų | 64.8 | 77% | 0.769 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8.3 | 176.7 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | P158 P162 | P158-S160 PolarHBondContact O-N 3.28Å; P158-S160 VanDerWaalsContact O-N 3.14Å; S160-P162 WeakPolarHBondContact O-CD 3.32Å |
| 161 | D | 90.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | trans | -68.3 | 122.7 | -179.9 | -164.5 | -44.5 | 0 | 0 | 0 | 110.3 | P158 A159 N163 V166 Q167 | P158-D161 HydrophobicContact CG-CB 4.16Å; P158-D161 WeakPolarHBondContact O-CB 3.3Å; P158-D161 PolarHBondContact O-N 3.48Å; A159-D161 VanDerWaalsContact C-N 3.32Å; D161-N163 PolarHBondContact O-N 2.75Å; D161-N163 WeakPolarHBondContact OD1-CB 3.47Å; D161-N163 PolarHBondContact OD1-N 3.33Å; D161-V166 HydrophobicContact CB-CB 4.21Å; D161-V166 HydrophobicContact CB-CG1 3.74Å; D161-Q167 PolarHBondContact O-NE2 3.31Å | ||
| 162 | P | 91.6 | Very high | 93.1 | Very high | 123 Ų | 123 | 68.7 Ų | 68.7 | 80% | 0.799 | 36% | 0.362 | S | S | * | . | trans | -73.1 | -5.7 | -178.7 | 31.2 | -36.5 | 0 | 0 | 0 | 113.8 | S160 D164 | S160-P162 WeakPolarHBondContact O-CD 3.32Å; P162-D164 PolarHBondContact O-N 3.13Å | ||
| 163 | N | 93 | Very high | 93 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | trans | -74.2 | 119.2 | -176.5 | -173.2 | -21.8 | 0 | 0 | 0 | 112.2 | D161 K165 V166 Q167 | D161-N163 PolarHBondContact O-N 2.75Å; D161-N163 WeakPolarHBondContact OD1-CB 3.47Å; D161-N163 PolarHBondContact OD1-N 3.33Å; N163-K165 PolarHBondContact O-N 2.65Å; N163-K165 VanDerWaalsContact O-N 3.12Å; N163-K165 WeakPolarHBondContact OD1-CB 3.35Å; N163-K165 PolarHBondContact OD1-N 3.31Å; N163-V166 HydrophobicContact CB-CB 4.19Å; N163-V166 HydrophobicContact CB-CG2 3.87Å; N163-V166 WeakPolarHBondContact O-CA 3.47Å; N163-V166 WeakPolarHBondContact O-CB 3.24Å; N163-V166 PolarHBondContact O-N 2.54Å; N163-Q167 PolarHBondContact O-N 2.98Å; N163-Q167 VanDerWaalsContact O-N 3.08Å | ||
| 164 | D | 93.3 | Very high | 92.9 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -53.1 | -36.1 | 178.1 | -67.7 | -27.2 | 0 | 0 | 0 | 113.4 | P162 V166 Q167 D168 | P162-D164 PolarHBondContact O-N 3.13Å; D164-V166 VanDerWaalsContact C-N 3.3Å; D164-V166 PolarHBondContact O-N 3.48Å; D164-Q167 PolarHBondContact O-N 3.35Å; D164-D168 VanDerWaalsContact O-CB 3.31Å; D164-D168 WeakPolarHBondContact O-CB 3.41Å; D164-D168 PolarHBondContact O-N 3.5Å |
| 165 | K | 91.2 | Very high | 92.8 | Very high | 151 Ų | 151 | 72.3 Ų | 72.3 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.8 | -34.1 | 178.1 | -65.8 | -176.6 | 177.3 | 179.5 | 0 | 111.9 | N163 F169 | N163-K165 PolarHBondContact O-N 2.65Å; N163-K165 VanDerWaalsContact O-N 3.12Å; N163-K165 WeakPolarHBondContact OD1-CB 3.35Å; N163-K165 PolarHBondContact OD1-N 3.31Å; K165-F169 VanDerWaalsContact O-CB 3.31Å; K165-F169 WeakPolarHBondContact O-CB 3.16Å; K165-F169 PolarHBondContact O-N 3.33Å |
| 166 | V | 91.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.5 | -46 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | F157 D161 N163 D164 F169 R170 | F157-V166 HydrophobicContact CB-CG1 3.9Å; F157-V166 HydrophobicContact CD1-CG1 4.09Å; F157-V166 HydrophobicContact CD1-CG2 4.36Å; D161-V166 HydrophobicContact CB-CB 4.21Å; D161-V166 HydrophobicContact CB-CG1 3.74Å; N163-V166 HydrophobicContact CB-CB 4.19Å; N163-V166 HydrophobicContact CB-CG2 3.87Å; N163-V166 WeakPolarHBondContact O-CA 3.47Å; N163-V166 WeakPolarHBondContact O-CB 3.24Å; N163-V166 PolarHBondContact O-N 2.54Å; D164-V166 VanDerWaalsContact C-N 3.3Å; D164-V166 PolarHBondContact O-N 3.48Å; V166-F169 PolarHBondContact O-N 2.82Å; V166-R170 VanDerWaalsContact O-CB 3.27Å; V166-R170 WeakPolarHBondContact O-CB 3.43Å; V166-R170 PolarHBondContact O-N 3.16Å |
| 167 | Q | 93.5 | Very high | 92.4 | Very high | 70 Ų | 70 | 68.1 Ų | 68.1 | 33% | 0.327 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 178.7 | -64.2 | -59.7 | -27.8 | 0 | 0 | 112.4 | A159 D161 N163 D164 R170 L171 | A159-Q167 PolarHBondContact O-NE2 3.44Å; D161-Q167 PolarHBondContact O-NE2 3.31Å; N163-Q167 PolarHBondContact O-N 2.98Å; N163-Q167 VanDerWaalsContact O-N 3.08Å; D164-Q167 PolarHBondContact O-N 3.35Å; Q167-R170 PolarHBondContact O-N 2.86Å; Q167-L171 WeakPolarHBondContact O-CB 3.34Å; Q167-L171 PolarHBondContact O-N 3.42Å |
| 168 | D | 93.8 | Very high | 92.1 | Very high | 72 Ų | 72 | 71.3 Ų | 71.3 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 176 | 171.6 | 69.5 | 0 | 0 | 0 | 112.2 | D164 R170 L171 R172 | D164-D168 VanDerWaalsContact O-CB 3.31Å; D164-D168 WeakPolarHBondContact O-CB 3.41Å; D164-D168 PolarHBondContact O-N 3.5Å; D168-R170 VanDerWaalsContact C-N 3.33Å; D168-R170 PolarHBondContact O-N 3.44Å; D168-L171 PolarHBondContact O-N 2.62Å; D168-R172 WeakPolarHBondContact O-CG 3.43Å; D168-R172 PolarHBondContact O-N 2.91Å; D168-R172 IonicContact OD1-NE 3.81Å; D168-R172 IonicContact OD2-CZ 2.9Å; D168-R172 IonicContact OD2-NE 2.97Å; D168-R172 PolarHBondContact OD2-NE 3.1Å; D168-R172 IonicContact OD2-NH1 3.76Å; D168-R172 IonicContact OD2-NH2 2.67Å; D168-R172 PolarHBondContact OD2-NH2 2.89Å |
| 169 | F | 93.7 | Very high | 91.8 | Very high | 17 Ų | 17 | 71.4 Ų | 71.4 | 8% | 0.075 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 174.9 | -180 | -92.3 | 0 | 0 | 0 | 110.8 | R130 M133 L153 F157 K165 V166 L171 R172 F173 | R130-F169 HydrophobicContact CB-CE2 4.41Å; R130-F169 HydrophobicContact CG-CD2 4.46Å; R130-F169 HydrophobicContact CG-CE2 4.08Å; R130-F169 HydrophobicContact CG-CZ 4.45Å; M133-F169 HydrophobicContact CB-CE1 4.44Å; M133-F169 HydrophobicContact CB-CZ 4.09Å; M133-F169 HydrophobicContact CG-CE1 4.12Å; M133-F169 HydrophobicContact CG-CZ 4.21Å; L153-F169 HydrophobicContact CD1-CD1 4.38Å; L153-F169 HydrophobicContact CD1-CE1 4.14Å; F157-F169 AromaticContact CD1-CD1 3.85Å; F157-F169 HydrophobicContact CD1-CD1 3.85Å; F157-F169 HydrophobicContact CD1-CE1 4.4Å; F157-F169 HydrophobicContact CD1-CG 4.48Å; F157-F169 AromaticContact CD2-CD1 3.88Å; F157-F169 HydrophobicContact CD2-CD1 3.88Å; F157-F169 AromaticContact CD2-CE1 3.69Å; F157-F169 HydrophobicContact CD2-CE1 3.69Å; F157-F169 AromaticContact CE1-CD1 3.96Å; F157-F169 HydrophobicContact CE1-CD1 3.96Å; F157-F169 HydrophobicContact CE1-CE1 4.3Å; F157-F169 HydrophobicContact CE1-CG 4.39Å; F157-F169 HydrophobicContact CE2-CD1 4Å; F157-F169 AromaticContact CE2-CE1 3.57Å; F157-F169 HydrophobicContact CE2-CE1 3.57Å; F157-F169 HydrophobicContact CE2-CZ 4.24Å; F157-F169 AromaticContact CG-CD1 3.8Å; F157-F169 HydrophobicContact CG-CD1 3.8Å; F157-F169 HydrophobicContact CG-CE1 4.11Å; F157-F169 HydrophobicContact CZ-CD1 4.04Å; F157-F169 AromaticContact CZ-CE1 3.89Å; F157-F169 HydrophobicContact CZ-CE1 3.89Å; F157-F169 HydrophobicContact CZ-CZ 4.37Å; K165-F169 VanDerWaalsContact O-CB 3.31Å; K165-F169 WeakPolarHBondContact O-CB 3.16Å; K165-F169 PolarHBondContact O-N 3.33Å; V166-F169 PolarHBondContact O-N 2.82Å; F169-L171 PolarHBondContact O-N 3.1Å; F169-R172 PolarHBondContact O-N 3.02Å; F169-F173 HydrophobicContact CE1-CB 4.47Å; F169-F173 HydrophobicContact CE1-CD2 4.25Å; F169-F173 HydrophobicContact CE1-CG 4.48Å; F169-F173 AromaticContact CZ-CD2 3.98Å; F169-F173 HydrophobicContact CZ-CD2 3.98Å; F169-F173 HydrophobicContact CZ-CE2 4.49Å; F169-F173 WeakPolarHBondContact O-CB 3.35Å; F169-F173 PolarHBondContact O-N 3.29Å |
| 170 | R | 94 | Very high | 91.6 | Very high | 37 Ų | 37 | 73.2 Ų | 73.2 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 179.1 | -173.5 | -176.6 | 174.1 | 80.3 | 5.8 | 111.6 | L153 N154 F157 V166 Q167 D168 R172 F173 L174 | L153-R170 HydrophobicContact CD1-CG 4.37Å; L153-R170 HydrophobicContact CD2-CG 4.08Å; L153-R170 HydrophobicContact CG-CG 4.28Å; N154-R170 VanDerWaalsContact OD1-CZ 3.3Å; N154-R170 PolarHBondContact OD1-NH1 2.89Å; N154-R170 PolarHBondContact OD1-NH2 3.23Å; F157-R170 PolarHBondContact O-NH1 3.5Å; F157-R170 VanDerWaalsContact O-NH1 3.09Å; V166-R170 VanDerWaalsContact O-CB 3.27Å; V166-R170 WeakPolarHBondContact O-CB 3.43Å; V166-R170 PolarHBondContact O-N 3.16Å; Q167-R170 PolarHBondContact O-N 2.86Å; D168-R170 VanDerWaalsContact C-N 3.33Å; D168-R170 PolarHBondContact O-N 3.44Å; R170-R172 VanDerWaalsContact C-N 3.34Å; R170-R172 PolarHBondContact O-N 3.37Å; R170-F173 PolarHBondContact O-N 3.25Å; R170-L174 HydrophobicContact CG-CD1 3.98Å; R170-L174 HydrophobicContact CG-CG 4.34Å; R170-L174 WeakPolarHBondContact O-CB 3.44Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.45Å; R170-L174 PolarHBondContact O-N 3.48Å |
| 171 | L | 93.6 | Very high | 91.4 | Very high | 87 Ų | 87 | 74.3 Ų | 74.3 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 179.2 | -179.3 | 62.2 | 0 | 0 | 0 | 111.9 | Q167 D168 F169 F173 K175 | Q167-L171 WeakPolarHBondContact O-CB 3.34Å; Q167-L171 PolarHBondContact O-N 3.42Å; D168-L171 PolarHBondContact O-N 2.62Å; F169-L171 PolarHBondContact O-N 3.1Å; L171-F173 VanDerWaalsContact C-N 3.35Å; L171-K175 HydrophobicContact CG-CD 4.37Å; L171-K175 WeakPolarHBondContact O-CB 3.39Å; L171-K175 VanDerWaalsContact O-CG 3.31Å; L171-K175 WeakPolarHBondContact O-CG 3.41Å; L171-K175 PolarHBondContact O-N 2.93Å |
| 172 | R | 92.4 | Very high | 91.4 | Very high | 147 Ų | 147 | 76.3 Ų | 76.3 | 56% | 0.555 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 176.4 | -72.5 | -174.3 | -68.2 | -178.9 | -2.7 | 111.4 | D168 F169 R170 K175 L176 | D168-R172 WeakPolarHBondContact O-CG 3.43Å; D168-R172 PolarHBondContact O-N 2.91Å; D168-R172 IonicContact OD1-NE 3.81Å; D168-R172 IonicContact OD2-CZ 2.9Å; D168-R172 IonicContact OD2-NE 2.97Å; D168-R172 PolarHBondContact OD2-NE 3.1Å; D168-R172 IonicContact OD2-NH1 3.76Å; D168-R172 IonicContact OD2-NH2 2.67Å; D168-R172 PolarHBondContact OD2-NH2 2.89Å; F169-R172 PolarHBondContact O-N 3.02Å; R170-R172 VanDerWaalsContact C-N 3.34Å; R170-R172 PolarHBondContact O-N 3.37Å; R172-K175 PolarHBondContact O-N 2.92Å; R172-L176 PolarHBondContact O-N 3.3Å; R172-L176 VanDerWaalsContact O-N 3.13Å |
| 173 | F | 91.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | -179.6 | -148.2 | -92.7 | 0 | 0 | 0 | 112.4 | M133 L137 C149 L153 F169 R170 L171 K175 L176 L177 | M133-F173 HydrophobicContact CB-CE2 3.86Å; M133-F173 HydrophobicContact CB-CZ 3.89Å; M133-F173 HydrophobicContact CE-CD1 3.81Å; M133-F173 HydrophobicContact CE-CE1 3.32Å; M133-F173 HydrophobicContact CE-CE2 4.41Å; M133-F173 HydrophobicContact CE-CZ 3.67Å; M133-F173 VanDerWaalsContact O-CZ 3.31Å; M133-F173 WeakPolarHBondContact O-CZ 3.34Å; L137-F173 HydrophobicContact CB-CZ 4.09Å; L137-F173 HydrophobicContact CD1-CZ 4.2Å; C149-F173 HydrophobicContact CB-CE1 4.46Å; L153-F173 HydrophobicContact CD1-CB 4.21Å; L153-F173 HydrophobicContact CD1-CD1 4.28Å; L153-F173 HydrophobicContact CD1-CG 4.38Å; L153-F173 HydrophobicContact CD2-CD1 4.42Å; F169-F173 HydrophobicContact CE1-CB 4.47Å; F169-F173 HydrophobicContact CE1-CD2 4.25Å; F169-F173 HydrophobicContact CE1-CG 4.48Å; F169-F173 AromaticContact CZ-CD2 3.98Å; F169-F173 HydrophobicContact CZ-CD2 3.98Å; F169-F173 HydrophobicContact CZ-CE2 4.49Å; F169-F173 WeakPolarHBondContact O-CB 3.35Å; F169-F173 PolarHBondContact O-N 3.29Å; R170-F173 PolarHBondContact O-N 3.25Å; L171-F173 VanDerWaalsContact C-N 3.35Å; F173-K175 PolarHBondContact O-N 3.4Å; F173-L176 WeakPolarHBondContact O-CB 3.38Å; F173-L176 PolarHBondContact O-N 3.1Å; F173-L177 HydrophobicContact CD1-CD1 3.74Å; F173-L177 HydrophobicContact CD1-CG 4.07Å; F173-L177 HydrophobicContact CE1-CD1 3.89Å; F173-L177 HydrophobicContact CE1-CD2 4.29Å; F173-L177 HydrophobicContact CE1-CG 4.11Å; F173-L177 WeakPolarHBondContact O-CG 3.47Å; F173-L177 PolarHBondContact O-N 2.89Å |
| 174 | L | 92.2 | Very high | 91.3 | Very high | 58 Ų | 58 | 70 Ų | 70 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 174.6 | -70 | 174.9 | 0 | 0 | 0 | 112.3 | F150 L153 R170 L176 L177 A178 | F150-L174 HydrophobicContact CD1-CD2 4.18Å; F150-L174 HydrophobicContact CE1-CD2 3.54Å; L153-L174 HydrophobicContact CD2-CD2 3.71Å; L153-L174 HydrophobicContact CD2-CG 4.01Å; R170-L174 HydrophobicContact CG-CD1 3.98Å; R170-L174 HydrophobicContact CG-CG 4.34Å; R170-L174 WeakPolarHBondContact O-CB 3.44Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.45Å; R170-L174 PolarHBondContact O-N 3.48Å; L174-L176 PolarHBondContact O-N 3.5Å; L174-L177 PolarHBondContact O-N 2.97Å; L174-A178 PolarHBondContact O-N 3.02Å; L174-A178 VanDerWaalsContact O-N 3.11Å |
| 175 | K | 92.1 | Very high | 91.3 | Very high | 124 Ų | 124 | 69.3 Ų | 69.3 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -31.7 | 175 | -77.5 | 175.3 | 178.9 | 175.5 | 0 | 112.6 | L171 R172 F173 | L171-K175 HydrophobicContact CG-CD 4.37Å; L171-K175 WeakPolarHBondContact O-CB 3.39Å; L171-K175 VanDerWaalsContact O-CG 3.31Å; L171-K175 WeakPolarHBondContact O-CG 3.41Å; L171-K175 PolarHBondContact O-N 2.93Å; R172-K175 PolarHBondContact O-N 2.92Å; F173-K175 PolarHBondContact O-N 3.4Å |
| 176 | L | 90.9 | Very high | 91.4 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.3 | -48.2 | 177.4 | -177.7 | 56.9 | 0 | 0 | 0 | 111 | L137 R172 F173 L174 A178 S179 K182 V183 Y186 | L137-L176 HydrophobicContact CD1-CD2 4.46Å; L137-L176 HydrophobicContact CD2-CD2 3.43Å; L137-L176 VanDerWaalsContact CD2-CD2 3.43Å; L137-L176 HydrophobicContact CD2-CG 4.21Å; R172-L176 PolarHBondContact O-N 3.3Å; R172-L176 VanDerWaalsContact O-N 3.13Å; F173-L176 WeakPolarHBondContact O-CB 3.38Å; F173-L176 PolarHBondContact O-N 3.1Å; L174-L176 PolarHBondContact O-N 3.5Å; L176-A178 PolarHBondContact O-N 3.16Å; L176-S179 PolarHBondContact O-N 2.76Å; L176-K182 HydrophobicContact CD1-CB 4.13Å; L176-K182 WeakPolarHBondContact CD1-O 3.34Å; L176-V183 HydrophobicContact CD1-CG2 4.26Å; L176-V183 HydrophobicContact CG-CG2 4.13Å; L176-V183 WeakPolarHBondContact O-CG2 3.41Å; L176-Y186 HydrophobicContact CD1-CD1 4.43Å; L176-Y186 HydrophobicContact CD1-CD2 4.45Å; L176-Y186 HydrophobicContact CD1-CG 3.89Å; L176-Y186 HydrophobicContact CD2-CD1 3.61Å; L176-Y186 HydrophobicContact CD2-CD2 4.16Å; L176-Y186 HydrophobicContact CD2-CE1 3.97Å; L176-Y186 HydrophobicContact CD2-CE2 4.49Å; L176-Y186 HydrophobicContact CD2-CG 3.72Å; L176-Y186 HydrophobicContact CG-CG 4.46Å |
| 177 | L | 89.5 | Confident | 91.5 | Very high | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -19.8 | 178 | -68.4 | 175.1 | 0 | 0 | 0 | 114 | L137 F140 C149 F150 F173 L174 S179 | L137-L177 HydrophobicContact CD1-CD2 3.63Å; F140-L177 HydrophobicContact CD1-CD2 4.13Å; F140-L177 HydrophobicContact CE1-CD2 4.32Å; C149-L177 HydrophobicContact CB-CD1 4.09Å; C149-L177 HydrophobicContact CB-CD2 4.18Å; F150-L177 HydrophobicContact CD1-CD1 4.4Å; F150-L177 HydrophobicContact CE1-CD1 4.02Å; F150-L177 HydrophobicContact CE2-CD1 4.43Å; F150-L177 HydrophobicContact CZ-CB 4.41Å; F150-L177 HydrophobicContact CZ-CD1 4.04Å; F173-L177 HydrophobicContact CD1-CD1 3.74Å; F173-L177 HydrophobicContact CD1-CG 4.07Å; F173-L177 HydrophobicContact CE1-CD1 3.89Å; F173-L177 HydrophobicContact CE1-CD2 4.29Å; F173-L177 HydrophobicContact CE1-CG 4.11Å; F173-L177 WeakPolarHBondContact O-CG 3.47Å; F173-L177 PolarHBondContact O-N 2.89Å; L174-L177 PolarHBondContact O-N 2.97Å; L177-S179 PolarHBondContact O-N 3.17Å; L177-S179 VanDerWaalsContact O-N 3.09Å |
| 178 | A | 87.5 | Confident | 91.4 | Very high | 80 Ų | 80 | 65.4 Ų | 65.4 | 66% | 0.661 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L174 L176 | L174-A178 PolarHBondContact O-N 3.02Å; L174-A178 VanDerWaalsContact O-N 3.11Å; L176-A178 PolarHBondContact O-N 3.16Å |
| 179 | S | 86.7 | Confident | 91.3 | Very high | 42 Ų | 42 | 68 Ų | 68 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | trans | -152.2 | 126 | 177.8 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | L176 L177 H181 K182 V183 | L176-S179 PolarHBondContact O-N 2.76Å; L177-S179 PolarHBondContact O-N 3.17Å; L177-S179 VanDerWaalsContact O-N 3.09Å; S179-H181 PolarHBondContact O-N 3.22Å; S179-H181 PolarHBondContact OG-N 3.45Å; S179-K182 WeakPolarHBondContact O-CB 3.46Å; S179-K182 PolarHBondContact O-N 3.14Å; S179-V183 PolarHBondContact O-N 3.22Å | ||
| 180 | K | 87.1 | Confident | 91.3 | Very high | 99 Ų | 99 | 75 Ų | 75 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53.6 | -38.6 | 173.8 | -174.7 | 175 | -172.9 | 170.2 | 0 | 112.6 | V183 H184 | K180-V183 PolarHBondContact O-N 2.74Å; K180-H184 WeakPolarHBondContact CE-CE1 3.29Å; K180-H184 PolarHBondContact O-N 2.73Å; K180-H184 PolarHBondContact O-ND1 2.93Å |
| 181 | H | 89.9 | Confident | 91.2 | Very high | 133 Ų | 133 | 73.6 Ų | 73.6 | 62% | 0.616 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | 178.1 | -177.1 | 69 | 0 | 0 | 0 | 112 | S179 V183 H184 R185 | S179-H181 PolarHBondContact O-N 3.22Å; S179-H181 PolarHBondContact OG-N 3.45Å; H181-V183 VanDerWaalsContact C-N 3.32Å; H181-V183 PolarHBondContact O-N 3.3Å; H181-H184 PolarHBondContact O-N 3.32Å; H181-R185 WeakPolarHBondContact O-CB 3.41Å; H181-R185 PolarHBondContact O-N 3.19Å |
| 182 | K | 91.4 | Very high | 91.1 | Very high | 91 Ų | 91 | 71.6 Ų | 71.6 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 174.4 | -69.3 | -179 | -176.4 | 174.7 | 0 | 111.4 | L176 S179 Y186 | L176-K182 HydrophobicContact CD1-CB 4.13Å; L176-K182 WeakPolarHBondContact CD1-O 3.34Å; S179-K182 WeakPolarHBondContact O-CB 3.46Å; S179-K182 PolarHBondContact O-N 3.14Å; K182-Y186 VanDerWaalsContact O-CB 3.28Å; K182-Y186 WeakPolarHBondContact O-CB 3.14Å; K182-Y186 PolarHBondContact O-N 3.14Å |
| 183 | V | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.3 | -53.8 | 174.9 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L137 F140 L176 S179 K180 H181 R185 Y186 L187 | L137-V183 HydrophobicContact CD1-CB 4.37Å; L137-V183 HydrophobicContact CD1-CG1 3.65Å; L137-V183 HydrophobicContact CD1-CG2 3.83Å; L137-V183 HydrophobicContact CD2-CG1 4.2Å; L137-V183 HydrophobicContact CG-CG1 3.71Å; F140-V183 HydrophobicContact CD1-CB 4.47Å; F140-V183 HydrophobicContact CD1-CG1 4.04Å; F140-V183 HydrophobicContact CD1-CG2 4.08Å; F140-V183 HydrophobicContact CE1-CB 4.29Å; F140-V183 HydrophobicContact CE1-CG1 4.33Å; F140-V183 HydrophobicContact CE1-CG2 3.75Å; L176-V183 HydrophobicContact CD1-CG2 4.26Å; L176-V183 HydrophobicContact CG-CG2 4.13Å; L176-V183 WeakPolarHBondContact O-CG2 3.41Å; S179-V183 PolarHBondContact O-N 3.22Å; K180-V183 PolarHBondContact O-N 2.74Å; H181-V183 VanDerWaalsContact C-N 3.32Å; H181-V183 PolarHBondContact O-N 3.3Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 2.8Å; V183-Y186 PolarHBondContact O-N 2.99Å; V183-L187 HydrophobicContact CG1-CD1 3.73Å; V183-L187 HydrophobicContact CG1-CG 4.17Å; V183-L187 WeakPolarHBondContact O-CG 3.38Å; V183-L187 PolarHBondContact O-N 3.29Å |
| 184 | H | 90.1 | Very high | 91 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | -179.4 | -77.4 | 66.7 | 0 | 0 | 0 | 111.7 | K180 H181 L187 N188 | K180-H184 WeakPolarHBondContact CE-CE1 3.29Å; K180-H184 PolarHBondContact O-N 2.73Å; K180-H184 PolarHBondContact O-ND1 2.93Å; H181-H184 PolarHBondContact O-N 3.32Å; H184-L187 PolarHBondContact O-N 3.17Å; H184-N188 WeakPolarHBondContact O-CB 3.46Å; H184-N188 PolarHBondContact O-N 3.25Å; H184-N188 PolarHBondContact O-ND2 3.47Å |
| 185 | R | 93 | Very high | 90.9 | Very high | 120 Ų | 120 | 68 Ų | 68 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 176.6 | -173.7 | 178.2 | 60.5 | -176.3 | 0.7 | 111.7 | H181 V183 L187 N188 E189 | H181-R185 WeakPolarHBondContact O-CB 3.41Å; H181-R185 PolarHBondContact O-N 3.19Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 2.8Å; R185-L187 VanDerWaalsContact C-N 3.34Å; R185-L187 PolarHBondContact O-N 2.95Å; R185-N188 PolarHBondContact O-N 3.16Å; R185-E189 WeakPolarHBondContact CD-OE1 3.02Å; R185-E189 HydrophobicContact CG-CG 4.09Å; R185-E189 WeakPolarHBondContact CG-OE1 3.48Å; R185-E189 VanDerWaalsContact CG-OE2 3.31Å; R185-E189 WeakPolarHBondContact CG-OE2 3.09Å; R185-E189 VanDerWaalsContact O-CB 3.25Å; R185-E189 WeakPolarHBondContact O-CB 2.96Å; R185-E189 WeakPolarHBondContact O-CG 3.34Å; R185-E189 PolarHBondContact O-N 3.09Å |
| 186 | Y | 94.3 | Very high | 90.7 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 21% | 0.212 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 178.5 | 174.3 | -91.9 | 0 | 0 | 0 | 112.5 | H134 L137 L176 K182 V183 R190 W191 | H134-Y186 AromaticContact CD2-CE1 3.84Å; H134-Y186 AromaticContact CD2-CZ 3.91Å; H134-Y186 PolarHBondContact CD2-OH 3.29Å; H134-Y186 PolarHBondContact NE2-OH 3.26Å; L137-Y186 HydrophobicContact CD2-CD1 3.64Å; L137-Y186 HydrophobicContact CD2-CE1 3.88Å; L176-Y186 HydrophobicContact CD1-CD1 4.43Å; L176-Y186 HydrophobicContact CD1-CD2 4.45Å; L176-Y186 HydrophobicContact CD1-CG 3.89Å; L176-Y186 HydrophobicContact CD2-CD1 3.61Å; L176-Y186 HydrophobicContact CD2-CD2 4.16Å; L176-Y186 HydrophobicContact CD2-CE1 3.97Å; L176-Y186 HydrophobicContact CD2-CE2 4.49Å; L176-Y186 HydrophobicContact CD2-CG 3.72Å; L176-Y186 HydrophobicContact CG-CG 4.46Å; K182-Y186 VanDerWaalsContact O-CB 3.28Å; K182-Y186 WeakPolarHBondContact O-CB 3.14Å; K182-Y186 PolarHBondContact O-N 3.14Å; V183-Y186 PolarHBondContact O-N 2.99Å; Y186-R190 HydrophobicContact CD2-CB 4.23Å; Y186-R190 HydrophobicContact CD2-CG 4.45Å; Y186-R190 HydrophobicContact CE2-CB 4.08Å; Y186-R190 WeakPolarHBondContact O-CB 3.48Å; Y186-R190 PolarHBondContact O-N 2.97Å; Y186-W191 HydrophobicContact CD1-CB 4.39Å; Y186-W191 HydrophobicContact CE1-CB 3.93Å; Y186-W191 PolarHBondContact O-N 3.48Å; Y186-W191 VanDerWaalsContact O-N 3.12Å |
| 187 | L | 92.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -61 | -49.1 | 178.7 | -71.7 | 173.6 | 0 | 0 | 0 | 110.9 | L137 E138 S141 V183 H184 R185 W191 F192 | L137-L187 HydrophobicContact CB-CD2 4.37Å; L137-L187 HydrophobicContact CD2-CD2 3.92Å; L137-L187 HydrophobicContact CD2-CG 4.27Å; L137-L187 HydrophobicContact CG-CD2 4.11Å; L137-L187 HydrophobicContact CG-CG 4.43Å; E138-L187 HydrophobicContact CG-CD2 3.99Å; S141-L187 VanDerWaalsContact CB-CD1 3.44Å; V183-L187 HydrophobicContact CG1-CD1 3.73Å; V183-L187 HydrophobicContact CG1-CG 4.17Å; V183-L187 WeakPolarHBondContact O-CG 3.38Å; V183-L187 PolarHBondContact O-N 3.29Å; H184-L187 PolarHBondContact O-N 3.17Å; R185-L187 VanDerWaalsContact C-N 3.34Å; R185-L187 PolarHBondContact O-N 2.95Å; L187-W191 HydrophobicContact CD2-CB 4.1Å; L187-W191 VanDerWaalsContact CD2-CD1 3.5Å; L187-W191 HydrophobicContact CD2-CG 4.06Å; L187-W191 PolarHBondContact O-N 3.34Å; L187-F192 HydrophobicContact CB-CD2 4.22Å; L187-F192 HydrophobicContact CB-CE2 3.76Å; L187-F192 HydrophobicContact CB-CZ 4Å; L187-F192 HydrophobicContact CD1-CZ 4.47Å; L187-F192 WeakPolarHBondContact O-CB 3.47Å; L187-F192 VanDerWaalsContact O-CD2 3.24Å; L187-F192 WeakPolarHBondContact O-CD2 3.3Å; L187-F192 VanDerWaalsContact O-CG 3.3Å; L187-F192 WeakPolarHBondContact O-CG 3.34Å; L187-F192 PolarHBondContact O-N 2.74Å |
| 188 | N | 91.7 | Very high | 90.8 | Very high | 98 Ų | 98 | 67.8 Ų | 67.8 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -71 | -39.6 | -178.5 | -68.7 | -28.5 | 0 | 0 | 0 | 113.9 | H184 R185 F192 | H184-N188 WeakPolarHBondContact O-CB 3.46Å; H184-N188 PolarHBondContact O-N 3.25Å; H184-N188 PolarHBondContact O-ND2 3.47Å; R185-N188 PolarHBondContact O-N 3.16Å; N188-F192 WeakPolarHBondContact OD1-CD2 3.27Å; N188-F192 WeakPolarHBondContact OD1-CE2 3.45Å |
| 189 | E | 93 | Very high | 91 | Very high | 126 Ų | 126 | 64 Ų | 64 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | I | π-helix | trans | -89.8 | -20.6 | -172.7 | -67.1 | 177.4 | -178.9 | 0 | 0 | 114.1 | R185 T193 | R185-E189 WeakPolarHBondContact CD-OE1 3.02Å; R185-E189 HydrophobicContact CG-CG 4.09Å; R185-E189 WeakPolarHBondContact CG-OE1 3.48Å; R185-E189 VanDerWaalsContact CG-OE2 3.31Å; R185-E189 WeakPolarHBondContact CG-OE2 3.09Å; R185-E189 VanDerWaalsContact O-CB 3.25Å; R185-E189 WeakPolarHBondContact O-CB 2.96Å; R185-E189 WeakPolarHBondContact O-CG 3.34Å; R185-E189 PolarHBondContact O-N 3.09Å; E189-T193 PolarHBondContact O-OG1 3.44Å |
| 190 | R | 92.4 | Very high | 91.3 | Very high | 166 Ų | 166 | 65.7 Ų | 65.7 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | I | π-helix | trans | -130.7 | -54.1 | -173.3 | -64.1 | -171.1 | 174.3 | -165 | -4.3 | 113.2 | Y186 T193 A194 | Y186-R190 HydrophobicContact CD2-CB 4.23Å; Y186-R190 HydrophobicContact CD2-CG 4.45Å; Y186-R190 HydrophobicContact CE2-CB 4.08Å; Y186-R190 WeakPolarHBondContact O-CB 3.48Å; Y186-R190 PolarHBondContact O-N 2.97Å; R190-T193 VanDerWaalsContact C-OG1 3.28Å; R190-T193 WeakPolarHBondContact CA-OG1 3.26Å; R190-T193 PolarHBondContact O-OG1 3.23Å; R190-A194 VanDerWaalsContact O-CB 3.24Å; R190-A194 WeakPolarHBondContact O-CB 3.26Å; R190-A194 PolarHBondContact O-N 3.21Å |
| 191 | W | 93.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -73.5 | -55.1 | -170 | 173 | -116 | 0 | 0 | 0 | 112.1 | V131 H134 L135 E138 Y186 L187 T193 A194 K195 V198 | V131-W191 HydrophobicContact CG1-CH2 4.21Å; H134-W191 HydrophobicContact CB-CD2 3.59Å; H134-W191 HydrophobicContact CB-CE3 3.69Å; H134-W191 HydrophobicContact CB-CG 4.3Å; H134-W191 HydrophobicContact CB-CH2 3.74Å; H134-W191 HydrophobicContact CB-CZ2 3.61Å; H134-W191 HydrophobicContact CB-CZ3 3.77Å; H134-W191 AromaticContact CD2-CE3 3.69Å; H134-W191 AromaticContact CG-CE3 3.75Å; H134-W191 AromaticContact CG-CZ3 3.88Å; L135-W191 HydrophobicContact CD2-CZ2 4.11Å; E138-W191 VanDerWaalsContact CD-NE1 3.33Å; E138-W191 PolarHBondContact OE1-NE1 3.08Å; Y186-W191 HydrophobicContact CD1-CB 4.39Å; Y186-W191 HydrophobicContact CE1-CB 3.93Å; Y186-W191 PolarHBondContact O-N 3.48Å; Y186-W191 VanDerWaalsContact O-N 3.12Å; L187-W191 HydrophobicContact CD2-CB 4.1Å; L187-W191 VanDerWaalsContact CD2-CD1 3.5Å; L187-W191 HydrophobicContact CD2-CG 4.06Å; L187-W191 PolarHBondContact O-N 3.34Å; W191-T193 PolarHBondContact O-N 3.03Å; W191-A194 CarbonylContact O-C 3.55Å; W191-A194 PolarHBondContact O-N 3.25Å; W191-K195 HydrophobicContact CD2-CB 4.48Å; W191-K195 HydrophobicContact CH2-CG 4.16Å; W191-K195 HydrophobicContact CZ2-CB 4.26Å; W191-K195 HydrophobicContact CZ2-CD 4.03Å; W191-K195 HydrophobicContact CZ2-CG 3.7Å; W191-K195 WeakPolarHBondContact O-CA 3.28Å; W191-K195 VanDerWaalsContact O-CB 3.31Å; W191-K195 WeakPolarHBondContact O-CB 3.5Å; W191-K195 PolarHBondContact O-N 3.48Å; W191-V198 HydrophobicContact CH2-CG1 4.3Å; W191-V198 HydrophobicContact CZ3-CB 4.17Å; W191-V198 HydrophobicContact CZ3-CG1 4.01Å; W191-V198 HydrophobicContact CZ3-CG2 4.32Å |
| 192 | F | 90.8 | Very high | 91.9 | Very high | 45 Ų | 45 | 59 Ų | 59 | 20% | 0.197 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -33 | -178.8 | -64.9 | -37.3 | 0 | 0 | 0 | 112.6 | E138 L187 N188 | E138-F192 HydrophobicContact CG-CE1 3.76Å; E138-F192 HydrophobicContact CG-CZ 4.35Å; L187-F192 HydrophobicContact CB-CD2 4.22Å; L187-F192 HydrophobicContact CB-CE2 3.76Å; L187-F192 HydrophobicContact CB-CZ 4Å; L187-F192 HydrophobicContact CD1-CZ 4.47Å; L187-F192 WeakPolarHBondContact O-CB 3.47Å; L187-F192 VanDerWaalsContact O-CD2 3.24Å; L187-F192 WeakPolarHBondContact O-CD2 3.3Å; L187-F192 VanDerWaalsContact O-CG 3.3Å; L187-F192 WeakPolarHBondContact O-CG 3.34Å; L187-F192 PolarHBondContact O-N 2.74Å; N188-F192 WeakPolarHBondContact OD1-CD2 3.27Å; N188-F192 WeakPolarHBondContact OD1-CE2 3.45Å |
| 193 | T | 90.4 | Very high | 91.9 | Very high | 98 Ų | 98 | 56 Ų | 56 | 60% | 0.601 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.8 | -32 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | E189 R190 W191 | E189-T193 PolarHBondContact O-OG1 3.44Å; R190-T193 VanDerWaalsContact C-OG1 3.28Å; R190-T193 WeakPolarHBondContact CA-OG1 3.26Å; R190-T193 PolarHBondContact O-OG1 3.23Å; W191-T193 PolarHBondContact O-N 3.03Å |
| 194 | A | 91.4 | Very high | 92 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -100.3 | -9.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R190 W191 S196 D197 V198 | R190-A194 VanDerWaalsContact O-CB 3.24Å; R190-A194 WeakPolarHBondContact O-CB 3.26Å; R190-A194 PolarHBondContact O-N 3.21Å; W191-A194 CarbonylContact O-C 3.55Å; W191-A194 PolarHBondContact O-N 3.25Å; A194-S196 VanDerWaalsContact C-N 3.35Å; A194-S196 PolarHBondContact O-N 3.46Å; A194-D197 PolarHBondContact O-N 2.87Å; A194-D197 VanDerWaalsContact O-N 3.08Å; A194-V198 HydrophobicContact CB-CG2 4.34Å; A194-V198 WeakPolarHBondContact O-CG2 3.47Å; A194-V198 PolarHBondContact O-N 3.21Å |
| 195 | K | 90 | Very high | 92.4 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.2 | -46.5 | -168.7 | -177.6 | 172.5 | -174.1 | -176.8 | 0 | 112.6 | E138 W191 D197 V198 L199 | E138-K195 WeakPolarHBondContact OE1-CE 3.25Å; E138-K195 IonicContact OE1-NZ 2.74Å; E138-K195 PolarHBondContact OE1-NZ 3.03Å; E138-K195 IonicContact OE2-NZ 2.81Å; E138-K195 PolarHBondContact OE2-NZ 3.25Å; W191-K195 HydrophobicContact CD2-CB 4.48Å; W191-K195 HydrophobicContact CH2-CG 4.16Å; W191-K195 HydrophobicContact CZ2-CB 4.26Å; W191-K195 HydrophobicContact CZ2-CD 4.03Å; W191-K195 HydrophobicContact CZ2-CG 3.7Å; W191-K195 WeakPolarHBondContact O-CA 3.28Å; W191-K195 VanDerWaalsContact O-CB 3.31Å; W191-K195 WeakPolarHBondContact O-CB 3.5Å; W191-K195 PolarHBondContact O-N 3.48Å; K195-D197 PolarHBondContact O-N 3.28Å; K195-V198 PolarHBondContact O-N 2.83Å; K195-L199 HydrophobicContact CG-CD1 3.85Å; K195-L199 WeakPolarHBondContact O-CB 3.24Å; K195-L199 WeakPolarHBondContact O-CD1 3.43Å; K195-L199 WeakPolarHBondContact O-CG 3.34Å; K195-L199 PolarHBondContact O-N 3.34Å |
| 196 | S | 88.3 | Confident | 92.5 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 178.9 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | A194 L199 K200 | A194-S196 VanDerWaalsContact C-N 3.35Å; A194-S196 PolarHBondContact O-N 3.46Å; S196-L199 PolarHBondContact O-N 3.38Å; S196-K200 WeakPolarHBondContact O-CG 3.42Å; S196-K200 PolarHBondContact O-N 2.97Å |
| 197 | D | 90.6 | Very high | 92.5 | Very high | 103 Ų | 103 | 56.4 Ų | 56.4 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | -178.5 | -65.5 | -25.4 | 0 | 0 | 0 | 111.9 | A194 K195 L199 K200 E201 | A194-D197 PolarHBondContact O-N 2.87Å; A194-D197 VanDerWaalsContact O-N 3.08Å; K195-D197 PolarHBondContact O-N 3.28Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-L199 PolarHBondContact O-N 3.22Å; D197-K200 WeakPolarHBondContact O-CB 3.41Å; D197-K200 PolarHBondContact O-N 3.37Å; D197-E201 PolarHBondContact O-N 3.05Å |
| 198 | V | 92.6 | Very high | 92.7 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | V131 W191 A194 K195 E201 L202 | V131-V198 HydrophobicContact CG2-CG1 3.35Å; W191-V198 HydrophobicContact CH2-CG1 4.3Å; W191-V198 HydrophobicContact CZ3-CB 4.17Å; W191-V198 HydrophobicContact CZ3-CG1 4.01Å; W191-V198 HydrophobicContact CZ3-CG2 4.32Å; A194-V198 HydrophobicContact CB-CG2 4.34Å; A194-V198 WeakPolarHBondContact O-CG2 3.47Å; A194-V198 PolarHBondContact O-N 3.21Å; K195-V198 PolarHBondContact O-N 2.83Å; V198-E201 WeakPolarHBondContact O-CB 3.49Å; V198-E201 PolarHBondContact O-N 3.15Å; V198-L202 PolarHBondContact O-N 2.98Å |
| 199 | L | 91.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.7 | -35.9 | 175.1 | -68.6 | 168.7 | 0 | 0 | 0 | 111.7 | F71 P72 T83 W93 V131 K195 S196 D197 E201 L202 Q203 | F71-L199 HydrophobicContact CE1-CD2 3.69Å; F71-L199 HydrophobicContact CZ-CD2 4.19Å; P72-L199 HydrophobicContact CG-CB 4.42Å; P72-L199 HydrophobicContact CG-CD1 4.21Å; T83-L199 HydrophobicContact CG2-CD1 3.97Å; W93-L199 HydrophobicContact CZ3-CD1 4.25Å; V131-L199 HydrophobicContact CG1-CD2 3.98Å; K195-L199 HydrophobicContact CG-CD1 3.85Å; K195-L199 WeakPolarHBondContact O-CB 3.24Å; K195-L199 WeakPolarHBondContact O-CD1 3.43Å; K195-L199 WeakPolarHBondContact O-CG 3.34Å; K195-L199 PolarHBondContact O-N 3.34Å; S196-L199 PolarHBondContact O-N 3.38Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-L199 PolarHBondContact O-N 3.22Å; L199-E201 VanDerWaalsContact C-N 3.34Å; L199-L202 PolarHBondContact O-N 3.07Å; L199-Q203 PolarHBondContact O-N 2.85Å |
| 200 | K | 91.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 48.6 Ų | 48.6 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -36.8 | 170.3 | -72.1 | 172.2 | -176.4 | 170.2 | 0 | 112 | S196 D197 L202 Q203 Y204 | S196-K200 WeakPolarHBondContact O-CG 3.42Å; S196-K200 PolarHBondContact O-N 2.97Å; D197-K200 WeakPolarHBondContact O-CB 3.41Å; D197-K200 PolarHBondContact O-N 3.37Å; K200-L202 VanDerWaalsContact C-N 3.31Å; K200-L202 PolarHBondContact O-N 2.97Å; K200-Q203 WeakPolarHBondContact O-CB 3.31Å; K200-Q203 PolarHBondContact O-N 2.92Å; K200-Y204 HydrophobicContact CB-CE2 4.12Å; K200-Y204 WeakPolarHBondContact O-CD2 3.24Å; K200-Y204 PolarHBondContact O-N 3.47Å |
| 201 | E | 94.1 | Very high | 92.9 | Very high | 91 Ų | 91 | 46.8 Ų | 46.8 | 43% | 0.425 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 174.1 | -173.2 | 177.5 | 177.9 | 0 | 0 | 111.5 | D197 V198 L199 Q203 Y204 L205 | D197-E201 PolarHBondContact O-N 3.05Å; V198-E201 WeakPolarHBondContact O-CB 3.49Å; V198-E201 PolarHBondContact O-N 3.15Å; L199-E201 VanDerWaalsContact C-N 3.34Å; E201-Q203 VanDerWaalsContact C-N 3.29Å; E201-Q203 PolarHBondContact O-N 3.16Å; E201-Y204 PolarHBondContact O-N 2.87Å; E201-L205 HydrophobicContact CG-CD1 4.44Å; E201-L205 WeakPolarHBondContact O-CG 3.47Å; E201-L205 PolarHBondContact O-N 2.74Å |
| 202 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 172.8 | -72.5 | 180 | 0 | 0 | 0 | 112.6 | F71 L97 Y124 E127 A128 V131 V198 L199 K200 L205 A206 | F71-L202 HydrophobicContact CD1-CD1 4.28Å; F71-L202 HydrophobicContact CE1-CD1 3.88Å; L97-L202 HydrophobicContact CD1-CD1 4.26Å; Y124-L202 HydrophobicContact CD2-CD2 4.49Å; Y124-L202 WeakPolarHBondContact CD2-O 3.14Å; Y124-L202 HydrophobicContact CE2-CB 4.22Å; Y124-L202 HydrophobicContact CE2-CD2 4.33Å; Y124-L202 VanDerWaalsContact CE2-O 3.25Å; Y124-L202 WeakPolarHBondContact CE2-O 3.26Å; E127-L202 HydrophobicContact CB-CD2 3.84Å; E127-L202 HydrophobicContact CG-CD2 3.99Å; A128-L202 HydrophobicContact CB-CD2 4.14Å; V131-L202 HydrophobicContact CB-CD1 3.97Å; V131-L202 HydrophobicContact CG1-CD1 3.95Å; V131-L202 HydrophobicContact CG2-CD1 3.75Å; V131-L202 HydrophobicContact CG2-CD2 4.4Å; V131-L202 HydrophobicContact CG2-CG 4.09Å; V198-L202 PolarHBondContact O-N 2.98Å; L199-L202 PolarHBondContact O-N 3.07Å; K200-L202 VanDerWaalsContact C-N 3.31Å; K200-L202 PolarHBondContact O-N 2.97Å; L202-L205 PolarHBondContact O-N 3.47Å; L202-A206 PolarHBondContact O-N 3.07Å |
| 203 | Q | 92 | Very high | 92.9 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.2 | -68.9 | 178.1 | 2.3 | 0 | 0 | 112 | F71 F79 L199 K200 E201 L205 A206 F207 | F71-Q203 WeakPolarHBondContact O-CG 3.3Å; F71-Q203 PolarHBondContact O-NE2 3.22Å; F79-Q203 VanDerWaalsContact CD2-NE2 3.26Å; L199-Q203 PolarHBondContact O-N 2.85Å; K200-Q203 WeakPolarHBondContact O-CB 3.31Å; K200-Q203 PolarHBondContact O-N 2.92Å; E201-Q203 VanDerWaalsContact C-N 3.29Å; E201-Q203 PolarHBondContact O-N 3.16Å; Q203-L205 VanDerWaalsContact C-N 3.28Å; Q203-L205 PolarHBondContact O-N 3.22Å; Q203-A206 CarbonylContact O-C 3.56Å; Q203-A206 WeakPolarHBondContact O-CA 3.47Å; Q203-A206 WeakPolarHBondContact O-CB 3.36Å; Q203-A206 PolarHBondContact O-N 2.93Å; Q203-F207 WeakPolarHBondContact O-CD2 3.01Å; Q203-F207 PolarHBondContact O-N 3.48Å |
| 204 | Y | 94.1 | Very high | 92.9 | Very high | 155 Ų | 155 | 43.2 Ų | 43.2 | 61% | 0.608 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.8 | -43.3 | 175.7 | -68 | -54.5 | 0 | 0 | 0 | 111.1 | K200 E201 A206 F207 D208 | K200-Y204 HydrophobicContact CB-CE2 4.12Å; K200-Y204 WeakPolarHBondContact O-CD2 3.24Å; K200-Y204 PolarHBondContact O-N 3.47Å; E201-Y204 PolarHBondContact O-N 2.87Å; Y204-A206 VanDerWaalsContact C-N 3.28Å; Y204-A206 PolarHBondContact O-N 2.73Å; Y204-F207 PolarHBondContact O-N 3.41Å; Y204-F207 VanDerWaalsContact O-N 3.13Å; Y204-D208 PolarHBondContact O-N 3.47Å |
| 205 | L | 97.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.131 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -32.9 | 174.3 | -68.2 | 173.4 | 0 | 0 | 0 | 112.8 | N123 Y124 E127 E201 L202 Q203 I209 | N123-L205 HydrophobicContact CB-CD2 4.22Å; Y124-L205 HydrophobicContact CD2-CB 3.91Å; E127-L205 HydrophobicContact CB-CD1 3.79Å; E127-L205 HydrophobicContact CG-CD1 4.2Å; E201-L205 HydrophobicContact CG-CD1 4.44Å; E201-L205 WeakPolarHBondContact O-CG 3.47Å; E201-L205 PolarHBondContact O-N 2.74Å; L202-L205 PolarHBondContact O-N 3.47Å; Q203-L205 VanDerWaalsContact C-N 3.28Å; Q203-L205 PolarHBondContact O-N 3.22Å; L205-I209 WeakPolarHBondContact O-CG1 3.21Å; L205-I209 PolarHBondContact O-N 3.15Å |
| 206 | A | 95.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.3 | -40.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A68 V69 Y124 L202 Q203 Y204 I209 V210 | A68-A206 HydrophobicContact CB-CB 3.79Å; V69-A206 HydrophobicContact CG2-CB 3.86Å; Y124-A206 HydrophobicContact CD2-CB 4.15Å; Y124-A206 HydrophobicContact CE2-CB 3.93Å; L202-A206 PolarHBondContact O-N 3.07Å; Q203-A206 CarbonylContact O-C 3.56Å; Q203-A206 WeakPolarHBondContact O-CA 3.47Å; Q203-A206 WeakPolarHBondContact O-CB 3.36Å; Q203-A206 PolarHBondContact O-N 2.93Å; Y204-A206 VanDerWaalsContact C-N 3.28Å; Y204-A206 PolarHBondContact O-N 2.73Å; A206-I209 WeakPolarHBondContact O-CB 3.2Å; A206-I209 PolarHBondContact O-N 3.43Å; A206-V210 WeakPolarHBondContact O-CG2 3.36Å; A206-V210 PolarHBondContact O-N 3.41Å; A206-V210 VanDerWaalsContact O-N 3.08Å |
| 207 | F | 94.3 | Very high | 93.2 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 173.9 | -80.6 | -65.7 | 0 | 0 | 0 | 112.1 | V69 Q203 Y204 I209 V210 E211 | V69-F207 HydrophobicContact CG1-CD1 4.49Å; V69-F207 HydrophobicContact CG1-CE1 3.72Å; V69-F207 HydrophobicContact CG1-CE2 3.89Å; V69-F207 HydrophobicContact CG1-CZ 3.38Å; V69-F207 HydrophobicContact CG2-CD1 4.29Å; V69-F207 HydrophobicContact CG2-CE1 4.26Å; Q203-F207 WeakPolarHBondContact O-CD2 3.01Å; Q203-F207 PolarHBondContact O-N 3.48Å; Y204-F207 PolarHBondContact O-N 3.41Å; Y204-F207 VanDerWaalsContact O-N 3.13Å; F207-I209 PolarHBondContact O-N 2.84Å; F207-V210 CarbonylContact O-C 3.08Å; F207-V210 WeakPolarHBondContact O-CA 3.18Å; F207-V210 WeakPolarHBondContact O-CB 3.01Å; F207-V210 PolarHBondContact O-N 3.2Å; F207-E211 WeakPolarHBondContact O-CG 3.32Å; F207-E211 PolarHBondContact O-N 2.83Å |
| 208 | D | 95.2 | Very high | 93.4 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.7 | -37.5 | 174 | -74.7 | -7.5 | 0 | 0 | 0 | 112 | Y204 Q212 | Y204-D208 PolarHBondContact O-N 3.47Å; D208-Q212 WeakPolarHBondContact O-CG 3.42Å; D208-Q212 PolarHBondContact O-NE2 3.49Å |
| 209 | I | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.8 | -44.4 | 175.9 | -61.5 | 165.1 | 0 | 0 | 0 | 110.3 | F61 W64 H120 L121 Y124 L205 A206 F207 E211 Q212 | F61-I209 HydrophobicContact CE1-CG2 4.34Å; F61-I209 HydrophobicContact CZ-CG2 3.68Å; W64-I209 HydrophobicContact CH2-CD1 3.59Å; W64-I209 HydrophobicContact CZ3-CD1 3.62Å; W64-I209 HydrophobicContact CZ3-CG2 4.39Å; H120-I209 HydrophobicContact CB-CB 4.42Å; H120-I209 HydrophobicContact CB-CG1 3.52Å; L121-I209 HydrophobicContact CB-CD1 4.43Å; L121-I209 HydrophobicContact CD1-CD1 4.21Å; Y124-I209 HydrophobicContact CG-CD1 4.27Å; L205-I209 WeakPolarHBondContact O-CG1 3.21Å; L205-I209 PolarHBondContact O-N 3.15Å; A206-I209 WeakPolarHBondContact O-CB 3.2Å; A206-I209 PolarHBondContact O-N 3.43Å; F207-I209 PolarHBondContact O-N 2.84Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-E211 PolarHBondContact O-N 3.27Å; I209-Q212 WeakPolarHBondContact O-CB 3.45Å; I209-Q212 PolarHBondContact O-N 2.63Å; I209-Q212 VanDerWaalsContact O-N 3.14Å |
| 210 | V | 93.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | -179.8 | 164.5 | 0 | 0 | 0 | 0 | 112.1 | L36 C65 V69 A206 F207 Q212 L213 | L36-V210 HydrophobicContact CB-CG1 3.97Å; L36-V210 HydrophobicContact CD2-CG2 4.32Å; L36-V210 WeakPolarHBondContact O-CG1 3.35Å; C65-V210 HydrophobicContact CB-CG2 3.78Å; V69-V210 HydrophobicContact CG2-CG2 3.93Å; A206-V210 WeakPolarHBondContact O-CG2 3.36Å; A206-V210 PolarHBondContact O-N 3.41Å; A206-V210 VanDerWaalsContact O-N 3.08Å; F207-V210 CarbonylContact O-C 3.08Å; F207-V210 WeakPolarHBondContact O-CA 3.18Å; F207-V210 WeakPolarHBondContact O-CB 3.01Å; F207-V210 PolarHBondContact O-N 3.2Å; V210-Q212 PolarHBondContact O-N 2.94Å; V210-L213 HydrophobicContact CG1-CD1 4.22Å; V210-L213 WeakPolarHBondContact O-CB 3.22Å; V210-L213 WeakPolarHBondContact O-CG 3.2Å; V210-L213 PolarHBondContact O-N 3.43Å |
| 211 | E | 92.4 | Very high | 93.7 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 60% | 0.598 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -59.8 | -28.9 | 174.1 | -76.2 | -173 | 171.9 | 0 | 0 | 112.3 | F207 I209 L213 | F207-E211 WeakPolarHBondContact O-CG 3.32Å; F207-E211 PolarHBondContact O-N 2.83Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-E211 PolarHBondContact O-N 3.27Å; E211-L213 PolarHBondContact O-N 3.34Å |
| 212 | Q | 93.2 | Very high | 93.5 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 23% | 0.234 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -8.9 | 174.9 | -54.3 | -46.5 | -56.9 | 0 | 0 | 113 | R116 Y117 D208 I209 V210 | R116-Q212 HydrophobicContact CG-CB 4.39Å; R116-Q212 PolarHBondContact NE-O 3.36Å; R116-Q212 PolarHBondContact NH1-O 3.3Å; R116-Q212 PolarHBondContact NH2-O 2.9Å; Y117-Q212 HydrophobicContact CD1-CB 3.68Å; Y117-Q212 HydrophobicContact CE1-CB 3.66Å; Y117-Q212 WeakPolarHBondContact CE1-O 3.3Å; D208-Q212 WeakPolarHBondContact O-CG 3.42Å; D208-Q212 PolarHBondContact O-NE2 3.49Å; I209-Q212 WeakPolarHBondContact O-CB 3.45Å; I209-Q212 PolarHBondContact O-N 2.63Å; I209-Q212 VanDerWaalsContact O-N 3.14Å; V210-Q212 PolarHBondContact O-N 2.94Å |
| 213 | L | 92.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -63.9 | 147.6 | 176.7 | -68.2 | 173.1 | 0 | 0 | 0 | 110.8 | L16 I33 L36 R37 F61 Y117 V210 E211 | L16-L213 HydrophobicContact CD1-CD2 4.05Å; L16-L213 HydrophobicContact CD2-CD2 4.49Å; I33-L213 HydrophobicContact CG2-CB 3.99Å; I33-L213 HydrophobicContact CG2-CD1 4.49Å; L36-L213 HydrophobicContact CB-CD1 3.91Å; L36-L213 HydrophobicContact CD1-CD1 3.96Å; R37-L213 WeakPolarHBondContact CD-O 3.41Å; R37-L213 HydrophobicContact CG-CB 3.77Å; R37-L213 HydrophobicContact CG-CD1 4.36Å; R37-L213 PolarHBondContact NE-O 2.87Å; R37-L213 VanDerWaalsContact NE-O 3.16Å; F61-L213 HydrophobicContact CD1-CD2 4.12Å; F61-L213 HydrophobicContact CE1-CD2 3.85Å; Y117-L213 HydrophobicContact CE1-CD2 4.28Å; V210-L213 HydrophobicContact CG1-CD1 4.22Å; V210-L213 WeakPolarHBondContact O-CB 3.22Å; V210-L213 WeakPolarHBondContact O-CG 3.2Å; V210-L213 PolarHBondContact O-N 3.43Å; E211-L213 PolarHBondContact O-N 3.34Å |
| 214 | P | 90.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 13% | 0.13 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 151.4 | -176.7 | 28.7 | -34.4 | 0 | 0 | 0 | 111.8 | I33 R37 | I33-P214 HydrophobicContact CD1-CG 4.36Å; I33-P214 WeakPolarHBondContact CG2-O 3.45Å; R37-P214 VanDerWaalsContact CD-O 3.29Å; R37-P214 WeakPolarHBondContact CD-O 3.38Å |
| 215 | E | 91.6 | Very high | 93.2 | Very high | 117 Ų | 117 | 45.8 Ų | 45.8 | 55% | 0.547 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 145 | 162.8 | -65.6 | -169 | 168.3 | 0 | 0 | 110.6 | K220 | E215-K220 WeakPolarHBondContact OE2-CE 3.44Å; E215-K220 IonicContact OE2-NZ 2.58Å; E215-K220 PolarHBondContact OE2-NZ 3.23Å |
| 216 | V | 92.4 | Very high | 92.9 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | trans | -130.2 | 173.7 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 111 | T30 I33 F34 L218 D219 | T30-V216 HydrophobicContact CG2-CB 3.63Å; T30-V216 HydrophobicContact CG2-CG1 4.4Å; T30-V216 HydrophobicContact CG2-CG2 3.83Å; T30-V216 WeakPolarHBondContact O-CG2 3.49Å; I33-V216 HydrophobicContact CB-CG1 3.99Å; I33-V216 HydrophobicContact CD1-CG1 4.26Å; I33-V216 HydrophobicContact CG2-CG1 3.63Å; F34-V216 HydrophobicContact CB-CG2 3.76Å; F34-V216 HydrophobicContact CD2-CG2 4.36Å; V216-L218 PolarHBondContact O-N 3.46Å; V216-L218 VanDerWaalsContact O-N 3.07Å; V216-D219 WeakPolarHBondContact CG2-OD2 3.25Å; V216-D219 PolarHBondContact N-OD2 3.27Å; V216-D219 WeakPolarHBondContact O-CB 3.36Å; V216-D219 PolarHBondContact O-N 2.91Å | ||
| 217 | L | 91.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -51.8 | -38.6 | -174.3 | -59.6 | 171 | 0 | 0 | 0 | 113 | F26 L27 T30 D219 K220 W226 N229 I232 | F26-L217 HydrophobicContact CE1-CD1 3.76Å; F26-L217 HydrophobicContact CZ-CD1 4.34Å; L27-L217 HydrophobicContact CD2-CD1 4.28Å; T30-L217 HydrophobicContact CG2-CB 4.14Å; T30-L217 HydrophobicContact CG2-CG 4.43Å; L217-D219 VanDerWaalsContact C-N 3.28Å; L217-D219 PolarHBondContact O-N 2.99Å; L217-K220 PolarHBondContact O-N 3.41Å; L217-W226 WeakPolarHBondContact O-CZ3 3.23Å; L217-N229 WeakPolarHBondContact CA-ND2 3.23Å; L217-N229 HydrophobicContact CB-CB 4.45Å; L217-N229 HydrophobicContact CD2-CB 4.11Å; L217-N229 VanDerWaalsContact CD2-CG 3.44Å; L217-N229 WeakPolarHBondContact CD2-OD1 3.31Å; L217-N229 PolarHBondContact O-ND2 3.45Å; L217-I232 HydrophobicContact CD2-CD1 4.12Å |
| 218 | L | 94.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -70.6 | -20.8 | -177 | -60.2 | 178.7 | 0 | 0 | 0 | 113.7 | T30 I31 F34 V216 K220 V221 W226 I244 L248 I259 | T30-L218 HydrophobicContact CG2-CD1 4.43Å; T30-L218 HydrophobicContact CG2-CG 4.16Å; I31-L218 HydrophobicContact CB-CD1 4.41Å; I31-L218 HydrophobicContact CG1-CD1 3.75Å; F34-L218 HydrophobicContact CB-CB 4.15Å; F34-L218 HydrophobicContact CB-CD1 3.98Å; F34-L218 HydrophobicContact CD1-CB 4.07Å; F34-L218 HydrophobicContact CD1-CD1 3.95Å; F34-L218 HydrophobicContact CD2-CB 3.57Å; F34-L218 HydrophobicContact CE1-CB 4.35Å; F34-L218 HydrophobicContact CE2-CB 3.88Å; F34-L218 HydrophobicContact CG-CB 3.66Å; F34-L218 HydrophobicContact CG-CD1 3.98Å; F34-L218 HydrophobicContact CG-CG 4.47Å; F34-L218 HydrophobicContact CZ-CB 4.27Å; V216-L218 PolarHBondContact O-N 3.46Å; V216-L218 VanDerWaalsContact O-N 3.07Å; L218-K220 PolarHBondContact O-N 3.27Å; L218-V221 VanDerWaalsContact O-CG2 3.25Å; L218-V221 WeakPolarHBondContact O-CG2 3.48Å; L218-V221 PolarHBondContact O-N 3.36Å; L218-W226 HydrophobicContact CD2-CH2 4.47Å; L218-I244 HydrophobicContact CD2-CG2 4.03Å; L218-L248 HydrophobicContact CD2-CD1 3.6Å; L218-I259 HydrophobicContact CD1-CD1 3.98Å |
| 219 | D | 93.6 | Very high | 92.2 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -68.2 | -18 | 174.4 | -69.8 | -66.3 | 0 | 0 | 0 | 112.7 | R37 K38 V216 L217 | R37-D219 IonicContact NH1-OD1 2.78Å; R37-D219 PolarHBondContact NH1-OD1 3.13Å; R37-D219 VanDerWaalsContact NH1-OD1 3.16Å; R37-D219 IonicContact NH1-OD2 3.24Å; R37-D219 PolarHBondContact NH1-OD2 2.95Å; K38-D219 WeakPolarHBondContact CE-OD1 3.23Å; K38-D219 IonicContact NZ-OD1 3.66Å; V216-D219 WeakPolarHBondContact CG2-OD2 3.25Å; V216-D219 PolarHBondContact N-OD2 3.27Å; V216-D219 WeakPolarHBondContact O-CB 3.36Å; V216-D219 PolarHBondContact O-N 2.91Å; L217-D219 VanDerWaalsContact C-N 3.28Å; L217-D219 PolarHBondContact O-N 2.99Å |
| 220 | K | 94 | Very high | 91.9 | Very high | 50 Ų | 50 | 55 Ų | 55 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -95.7 | 2.4 | -178.3 | -49.7 | -53.6 | -175.2 | 172.2 | 0 | 113.3 | E215 L217 L218 G222 S223 E225 W226 N229 | E215-K220 WeakPolarHBondContact OE2-CE 3.44Å; E215-K220 IonicContact OE2-NZ 2.58Å; E215-K220 PolarHBondContact OE2-NZ 3.23Å; L217-K220 PolarHBondContact O-N 3.41Å; L218-K220 PolarHBondContact O-N 3.27Å; K220-G222 PolarHBondContact O-N 3.11Å; K220-S223 PolarHBondContact O-N 3.24Å; K220-S223 PolarHBondContact O-OG 3.33Å; K220-E225 HydrophobicContact CB-CB 4.24Å; K220-E225 WeakPolarHBondContact CD-OE2 3.47Å; K220-E225 WeakPolarHBondContact CE-OE2 3.49Å; K220-E225 HydrophobicContact CG-CB 4.37Å; K220-E225 IonicContact NZ-OE2 3.53Å; K220-E225 PolarHBondContact NZ-OE2 3.26Å; K220-W226 WeakPolarHBondContact O-CB 3.26Å; K220-N229 WeakPolarHBondContact CB-ND2 3.18Å |
| 221 | V | 94 | Very high | 91.7 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 125.3 | 178.7 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | L218 S223 W226 L248 K251 C254 | L218-V221 VanDerWaalsContact O-CG2 3.25Å; L218-V221 WeakPolarHBondContact O-CG2 3.48Å; L218-V221 PolarHBondContact O-N 3.36Å; V221-S223 VanDerWaalsContact C-N 3.33Å; V221-W226 HydrophobicContact CB-CE3 4.28Å; V221-W226 HydrophobicContact CB-CZ3 4.46Å; V221-W226 HydrophobicContact CG2-CD2 4.17Å; V221-W226 HydrophobicContact CG2-CE3 3.58Å; V221-W226 HydrophobicContact CG2-CH2 3.68Å; V221-W226 HydrophobicContact CG2-CZ2 4.23Å; V221-W226 HydrophobicContact CG2-CZ3 3.32Å; V221-L248 HydrophobicContact CG1-CB 4.3Å; V221-L248 HydrophobicContact CG2-CD1 3.8Å; V221-K251 HydrophobicContact CG1-CB 4.09Å; V221-C254 HydrophobicContact CB-CB 4.17Å; V221-C254 HydrophobicContact CG1-CB 4.32Å; V221-C254 HydrophobicContact CG2-CB 4.03Å |
| 222 | G | 91.9 | Very high | 91.5 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -2.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K220 K251 | K220-G222 PolarHBondContact O-N 3.11Å; G222-K251 VanDerWaalsContact CA-O 3.26Å; G222-K251 WeakPolarHBondContact CA-O 3.48Å; G222-K251 PolarHBondContact N-O 2.97Å |
| 223 | S | 93.1 | Very high | 91.4 | Very high | 50 Ų | 50 | 52.4 Ų | 52.4 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -93.3 | 165.6 | 169 | 83.1 | 0 | 0 | 0 | 0 | 111.5 | K220 V221 E225 W226 | K220-S223 PolarHBondContact O-N 3.24Å; K220-S223 PolarHBondContact O-OG 3.33Å; V221-S223 VanDerWaalsContact C-N 3.33Å; S223-E225 PolarHBondContact O-N 3.07Å; S223-E225 VanDerWaalsContact O-N 3.15Å; S223-E225 PolarHBondContact OG-N 3.48Å; S223-W226 VanDerWaalsContact O-CB 3.3Å; S223-W226 WeakPolarHBondContact O-CB 3.3Å; S223-W226 PolarHBondContact O-N 3.03Å |
| 224 | D | 91.4 | Very high | 91.2 | Very high | 156 Ų | 156 | 56.2 Ų | 56.2 | 83% | 0.834 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.4 | 174.4 | -61.4 | -31.2 | 0 | 0 | 0 | 112.5 | W226 | D224-W226 VanDerWaalsContact C-N 3.29Å; D224-W226 PolarHBondContact O-N 3.47Å |
| 225 | E | 89.8 | Confident | 91.2 | Very high | 98 Ų | 98 | 64.3 Ų | 64.3 | 46% | 0.458 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -16.5 | 177.4 | -61.3 | -178.3 | 170.3 | 0 | 0 | 112.8 | K220 S223 V227 Y228 | K220-E225 HydrophobicContact CB-CB 4.24Å; K220-E225 WeakPolarHBondContact CD-OE2 3.47Å; K220-E225 WeakPolarHBondContact CE-OE2 3.49Å; K220-E225 HydrophobicContact CG-CB 4.37Å; K220-E225 IonicContact NZ-OE2 3.53Å; K220-E225 PolarHBondContact NZ-OE2 3.26Å; S223-E225 PolarHBondContact O-N 3.07Å; S223-E225 VanDerWaalsContact O-N 3.15Å; S223-E225 PolarHBondContact OG-N 3.48Å; E225-V227 PolarHBondContact O-N 3.47Å; E225-V227 VanDerWaalsContact O-N 3.16Å; E225-Y228 PolarHBondContact O-N 2.83Å; E225-Y228 VanDerWaalsContact O-N 3.07Å |
| 226 | W | 91.4 | Very high | 91 | Very high | 28 Ų | 28 | 60.5 Ų | 60.5 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.9 | -31.7 | 179.7 | -175.2 | -116.1 | 0 | 0 | 0 | 112.7 | L217 L218 K220 V221 S223 D224 Y228 N229 D230 L233 I244 L248 | L217-W226 WeakPolarHBondContact O-CZ3 3.23Å; L218-W226 HydrophobicContact CD2-CH2 4.47Å; K220-W226 WeakPolarHBondContact O-CB 3.26Å; V221-W226 HydrophobicContact CB-CE3 4.28Å; V221-W226 HydrophobicContact CB-CZ3 4.46Å; V221-W226 HydrophobicContact CG2-CD2 4.17Å; V221-W226 HydrophobicContact CG2-CE3 3.58Å; V221-W226 HydrophobicContact CG2-CH2 3.68Å; V221-W226 HydrophobicContact CG2-CZ2 4.23Å; V221-W226 HydrophobicContact CG2-CZ3 3.32Å; S223-W226 VanDerWaalsContact O-CB 3.3Å; S223-W226 WeakPolarHBondContact O-CB 3.3Å; S223-W226 PolarHBondContact O-N 3.03Å; D224-W226 VanDerWaalsContact C-N 3.29Å; D224-W226 PolarHBondContact O-N 3.47Å; W226-Y228 PolarHBondContact O-N 2.62Å; W226-N229 HydrophobicContact CD2-CB 4.43Å; W226-N229 HydrophobicContact CE3-CB 3.79Å; W226-N229 HydrophobicContact CZ3-CB 3.93Å; W226-N229 CarbonylContact O-C 3.59Å; W226-N229 WeakPolarHBondContact O-CB 3.32Å; W226-N229 PolarHBondContact O-N 3.23Å; W226-D230 PolarHBondContact O-N 3.48Å; W226-L233 HydrophobicContact CH2-CD1 3.9Å; W226-L233 HydrophobicContact CZ2-CD1 4.18Å; W226-I244 HydrophobicContact CH2-CG2 4.25Å; W226-L248 HydrophobicContact CH2-CB 4.44Å; W226-L248 HydrophobicContact CH2-CD1 3.93Å; W226-L248 HydrophobicContact CZ2-CB 3.94Å; W226-L248 HydrophobicContact CZ2-CD1 4.26Å |
| 227 | V | 89.8 | Confident | 90.8 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.6 | -38 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | E225 D230 V231 | E225-V227 PolarHBondContact O-N 3.47Å; E225-V227 VanDerWaalsContact O-N 3.16Å; V227-D230 PolarHBondContact O-N 2.94Å; V227-V231 WeakPolarHBondContact O-CG2 3.22Å; V227-V231 PolarHBondContact O-N 3.36Å |
| 228 | Y | 89.6 | Confident | 90.7 | Very high | 169 Ų | 169 | 65.4 Ų | 65.4 | 66% | 0.663 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.4 | -38.7 | 176.4 | -60 | -69.1 | 0 | 0 | 0 | 111.8 | E225 W226 D230 V231 I232 | E225-Y228 PolarHBondContact O-N 2.83Å; E225-Y228 VanDerWaalsContact O-N 3.07Å; W226-Y228 PolarHBondContact O-N 2.62Å; Y228-D230 VanDerWaalsContact C-N 3.34Å; Y228-V231 PolarHBondContact O-N 3.24Å; Y228-I232 WeakPolarHBondContact O-CG1 3.3Å; Y228-I232 PolarHBondContact O-N 2.95Å; Y228-I232 VanDerWaalsContact O-N 3.07Å |
| 229 | N | 90.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.08 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.3 | -37 | 176.7 | -65.8 | -9.4 | 0 | 0 | 0 | 111.4 | L217 K220 W226 V231 I232 L233 | L217-N229 WeakPolarHBondContact CA-ND2 3.23Å; L217-N229 HydrophobicContact CB-CB 4.45Å; L217-N229 HydrophobicContact CD2-CB 4.11Å; L217-N229 VanDerWaalsContact CD2-CG 3.44Å; L217-N229 WeakPolarHBondContact CD2-OD1 3.31Å; L217-N229 PolarHBondContact O-ND2 3.45Å; K220-N229 WeakPolarHBondContact CB-ND2 3.18Å; W226-N229 HydrophobicContact CD2-CB 4.43Å; W226-N229 HydrophobicContact CE3-CB 3.79Å; W226-N229 HydrophobicContact CZ3-CB 3.93Å; W226-N229 CarbonylContact O-C 3.59Å; W226-N229 WeakPolarHBondContact O-CB 3.32Å; W226-N229 PolarHBondContact O-N 3.23Å; N229-V231 VanDerWaalsContact C-N 3.31Å; N229-V231 PolarHBondContact O-N 2.91Å; N229-I232 WeakPolarHBondContact O-CB 3.43Å; N229-I232 PolarHBondContact O-N 3.04Å; N229-I232 VanDerWaalsContact O-N 3.13Å; N229-L233 VanDerWaalsContact O-CG 3.27Å; N229-L233 WeakPolarHBondContact O-CG 3.38Å; N229-L233 PolarHBondContact O-N 3.46Å |
| 230 | D | 88.8 | Confident | 90.4 | Very high | 35 Ų | 35 | 65.7 Ų | 65.7 | 19% | 0.187 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 174 | -167.1 | 65.9 | 0 | 0 | 0 | 111.6 | W226 V227 Y228 L233 L234 R245 | W226-D230 PolarHBondContact O-N 3.48Å; V227-D230 PolarHBondContact O-N 2.94Å; Y228-D230 VanDerWaalsContact C-N 3.34Å; D230-L233 PolarHBondContact O-N 3.5Å; D230-L234 WeakPolarHBondContact O-CB 3.49Å; D230-L234 PolarHBondContact O-N 3.3Å; D230-R245 IonicContact OD1-CZ 2.76Å; D230-R245 IonicContact OD1-NE 2.74Å; D230-R245 PolarHBondContact OD1-NE 3.14Å; D230-R245 IonicContact OD1-NH2 3.22Å; D230-R245 PolarHBondContact OD1-NH2 3.37Å; D230-R245 IonicContact OD2-CZ 3.16Å; D230-R245 IonicContact OD2-NE 3.98Å; D230-R245 IonicContact OD2-NH2 2.74Å; D230-R245 PolarHBondContact OD2-NH2 3.35Å |
| 231 | V | 89.5 | Confident | 90.3 | Very high | 63 Ų | 63 | 63.3 Ų | 63.3 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | V227 Y228 N229 L234 R235 | V227-V231 WeakPolarHBondContact O-CG2 3.22Å; V227-V231 PolarHBondContact O-N 3.36Å; Y228-V231 PolarHBondContact O-N 3.24Å; N229-V231 VanDerWaalsContact C-N 3.31Å; N229-V231 PolarHBondContact O-N 2.91Å; V231-L234 WeakPolarHBondContact O-CB 3.36Å; V231-L234 PolarHBondContact O-N 3.07Å; V231-R235 VanDerWaalsContact O-CG 3.3Å; V231-R235 WeakPolarHBondContact O-CG 3.43Å; V231-R235 PolarHBondContact O-N 3.42Å |
| 232 | I | 88.7 | Confident | 90.3 | Very high | 62 Ų | 62 | 64.3 Ų | 64.3 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.1 | -67.9 | 167 | 0 | 0 | 0 | 110.4 | L217 Y228 N229 L234 R235 F236 | L217-I232 HydrophobicContact CD2-CD1 4.12Å; Y228-I232 WeakPolarHBondContact O-CG1 3.3Å; Y228-I232 PolarHBondContact O-N 2.95Å; Y228-I232 VanDerWaalsContact O-N 3.07Å; N229-I232 WeakPolarHBondContact O-CB 3.43Å; N229-I232 PolarHBondContact O-N 3.04Å; N229-I232 VanDerWaalsContact O-N 3.13Å; I232-L234 VanDerWaalsContact C-N 3.35Å; I232-L234 PolarHBondContact O-N 3.27Å; I232-R235 WeakPolarHBondContact O-CB 3.24Å; I232-R235 PolarHBondContact O-N 3.34Å; I232-R235 VanDerWaalsContact O-N 3.12Å; I232-F236 HydrophobicContact CG2-CD2 4.34Å; I232-F236 HydrophobicContact CG2-CE1 4.08Å; I232-F236 HydrophobicContact CG2-CE2 3.84Å; I232-F236 HydrophobicContact CG2-CZ 3.7Å; I232-F236 PolarHBondContact O-N 2.91Å |
| 233 | L | 90.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 179.3 | -67.7 | 168.5 | 0 | 0 | 0 | 111.5 | L27 W226 N229 D230 R235 F236 N237 A241 I244 R245 | L27-L233 HydrophobicContact CD1-CD2 4.33Å; L27-L233 HydrophobicContact CD2-CD2 3.56Å; W226-L233 HydrophobicContact CH2-CD1 3.9Å; W226-L233 HydrophobicContact CZ2-CD1 4.18Å; N229-L233 VanDerWaalsContact O-CG 3.27Å; N229-L233 WeakPolarHBondContact O-CG 3.38Å; N229-L233 PolarHBondContact O-N 3.46Å; D230-L233 PolarHBondContact O-N 3.5Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 2.83Å; L233-F236 PolarHBondContact O-N 3.04Å; L233-N237 PolarHBondContact O-N 2.79Å; L233-A241 HydrophobicContact CB-CB 4.35Å; L233-A241 HydrophobicContact CD2-CB 4.13Å; L233-A241 WeakPolarHBondContact O-CB 3.29Å; L233-I244 HydrophobicContact CD1-CG2 3.78Å; L233-I244 HydrophobicContact CD2-CD1 4.43Å; L233-I244 HydrophobicContact CD2-CG2 4.39Å; L233-R245 HydrophobicContact CB-CG 3.54Å; L233-R245 HydrophobicContact CD1-CG 3.64Å; L233-R245 HydrophobicContact CG-CG 4.21Å |
| 234 | L | 89.6 | Confident | 90.5 | Very high | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.1 | -47 | 170.3 | -90.2 | 166.1 | 0 | 0 | 0 | 112.4 | D230 V231 I232 F236 N237 | D230-L234 WeakPolarHBondContact O-CB 3.49Å; D230-L234 PolarHBondContact O-N 3.3Å; V231-L234 WeakPolarHBondContact O-CB 3.36Å; V231-L234 PolarHBondContact O-N 3.07Å; I232-L234 VanDerWaalsContact C-N 3.35Å; I232-L234 PolarHBondContact O-N 3.27Å; L234-F236 VanDerWaalsContact C-N 3.29Å; L234-F236 PolarHBondContact O-N 3.24Å; L234-N237 PolarHBondContact O-N 2.76Å |
| 235 | R | 89.5 | Confident | 90.6 | Very high | 191 Ų | 191 | 55.2 Ų | 55.2 | 72% | 0.721 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.7 | -31.8 | -179.5 | -73.3 | 175.5 | 179.9 | -165.5 | 1.5 | 112.3 | R23 V231 I232 L233 N237 | R23-R235 PolarHBondContact NH1-O 3.24Å; V231-R235 VanDerWaalsContact O-CG 3.3Å; V231-R235 WeakPolarHBondContact O-CG 3.43Å; V231-R235 PolarHBondContact O-N 3.42Å; I232-R235 WeakPolarHBondContact O-CB 3.24Å; I232-R235 PolarHBondContact O-N 3.34Å; I232-R235 VanDerWaalsContact O-N 3.12Å; L233-R235 VanDerWaalsContact C-N 3.33Å; L233-R235 PolarHBondContact O-N 2.83Å; R235-N237 VanDerWaalsContact C-N 3.31Å |
| 236 | F | 88.2 | Confident | 90.7 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 174.1 | -72.4 | -12.6 | 0 | 0 | 0 | 111.9 | R23 F26 L27 I232 L233 L234 T238 A241 | R23-F236 HydrophobicContact CB-CB 4.27Å; R23-F236 HydrophobicContact CB-CD1 4.34Å; R23-F236 HydrophobicContact CB-CG 4.14Å; R23-F236 VanDerWaalsContact CD-O 3.3Å; R23-F236 WeakPolarHBondContact CD-O 3.41Å; R23-F236 HydrophobicContact CG-CB 4.44Å; R23-F236 HydrophobicContact CG-CD1 3.92Å; R23-F236 HydrophobicContact CG-CE1 4.41Å; R23-F236 HydrophobicContact CG-CG 4.21Å; R23-F236 PolarHBondContact NH1-O 3.33Å; F26-F236 AromaticContact CD1-CE2 3.51Å; F26-F236 HydrophobicContact CD1-CE2 3.51Å; F26-F236 AromaticContact CD1-CZ 3.76Å; F26-F236 HydrophobicContact CD1-CZ 3.76Å; F26-F236 AromaticContact CE1-CE2 3.63Å; F26-F236 HydrophobicContact CE1-CE2 3.63Å; F26-F236 AromaticContact CE1-CZ 3.8Å; F26-F236 HydrophobicContact CE1-CZ 3.8Å; F26-F236 HydrophobicContact CG-CE2 4.48Å; F26-F236 HydrophobicContact CG-CZ 4.41Å; F26-F236 HydrophobicContact CZ-CZ 4.44Å; L27-F236 HydrophobicContact CD1-CD2 4.06Å; L27-F236 HydrophobicContact CD2-CD2 3.97Å; L27-F236 HydrophobicContact CD2-CE2 3.9Å; L27-F236 HydrophobicContact CG-CD2 4.03Å; L27-F236 HydrophobicContact CG-CE2 4.17Å; I232-F236 HydrophobicContact CG2-CD2 4.34Å; I232-F236 HydrophobicContact CG2-CE1 4.08Å; I232-F236 HydrophobicContact CG2-CE2 3.84Å; I232-F236 HydrophobicContact CG2-CZ 3.7Å; I232-F236 PolarHBondContact O-N 2.91Å; L233-F236 PolarHBondContact O-N 3.04Å; L234-F236 VanDerWaalsContact C-N 3.29Å; L234-F236 PolarHBondContact O-N 3.24Å; F236-T238 WeakPolarHBondContact O-CG2 3.48Å; F236-T238 PolarHBondContact O-N 3.04Å; F236-A241 HydrophobicContact CB-CB 4.08Å |
| 237 | N | 87.3 | Confident | 90.8 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 61% | 0.61 | 26% | 0.264 | S | S | * | . | trans | 46.8 | 45.7 | 176 | -165.9 | 33.9 | 0 | 0 | 0 | 113 | L233 L234 R235 | L233-N237 PolarHBondContact O-N 2.79Å; L234-N237 PolarHBondContact O-N 2.76Å; R235-N237 VanDerWaalsContact C-N 3.31Å | ||
| 238 | T | 89.5 | Confident | 91 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | trans | -109 | 161 | 173.4 | 67.3 | 0 | 0 | 0 | 0 | 110.3 | R23 D24 F236 L240 A241 L242 | R23-T238 HydrophobicContact CB-CG2 3.79Å; D24-T238 WeakPolarHBondContact OD1-CB 3.4Å; D24-T238 WeakPolarHBondContact OD1-CG2 3.35Å; D24-T238 PolarHBondContact OD1-OG1 3.13Å; F236-T238 WeakPolarHBondContact O-CG2 3.48Å; F236-T238 PolarHBondContact O-N 3.04Å; T238-L240 VanDerWaalsContact C-N 3.27Å; T238-L240 PolarHBondContact O-N 3.32Å; T238-A241 WeakPolarHBondContact O-CB 3.45Å; T238-A241 PolarHBondContact O-N 3.38Å; T238-A241 VanDerWaalsContact O-N 3.12Å; T238-A241 WeakPolarHBondContact OG1-CB 3.47Å; T238-A241 PolarHBondContact OG1-N 2.98Å; T238-L242 WeakPolarHBondContact O-CG 3.32Å; T238-L242 PolarHBondContact O-N 3.32Å | ||
| 239 | L | 89.9 | Confident | 91.1 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54 | -46.4 | 176.9 | 176.8 | 59.7 | 0 | 0 | 0 | 111.5 | A241 L242 I243 Y266 C271 | L239-A241 PolarHBondContact O-N 3.49Å; L239-L242 PolarHBondContact O-N 3.02Å; L239-I243 HydrophobicContact CD1-CD1 3.82Å; L239-I243 HydrophobicContact CD1-CG1 4.19Å; L239-I243 HydrophobicContact CG-CD1 3.79Å; L239-I243 VanDerWaalsContact O-CG1 3.28Å; L239-I243 WeakPolarHBondContact O-CG1 2.87Å; L239-I243 PolarHBondContact O-N 3.49Å; L239-Y266 HydrophobicContact CB-CD2 4.46Å; L239-Y266 HydrophobicContact CB-CE2 4.14Å; L239-Y266 HydrophobicContact CD2-CD2 4.06Å; L239-Y266 HydrophobicContact CD2-CE2 4.11Å; L239-Y266 HydrophobicContact CG-CD2 3.97Å; L239-Y266 HydrophobicContact CG-CE2 4.1Å; L239-C271 WeakPolarHBondContact CD1-SG 3.16Å |
| 240 | L | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 178.7 | -176 | 54.3 | 0 | 0 | 0 | 111.5 | D24 L27 L28 I31 T238 L242 I243 I244 I262 M263 Y266 | D24-L240 WeakPolarHBondContact OD1-CB 2.99Å; L27-L240 HydrophobicContact CB-CD2 3.62Å; L27-L240 HydrophobicContact CB-CG 4.14Å; L27-L240 HydrophobicContact CD1-CB 4.22Å; L27-L240 HydrophobicContact CD1-CD2 4.35Å; L27-L240 HydrophobicContact CD1-CG 4.11Å; L28-L240 HydrophobicContact CD2-CD2 3.93Å; L28-L240 HydrophobicContact CG-CD2 4.1Å; I31-L240 HydrophobicContact CD1-CD1 4.18Å; I31-L240 HydrophobicContact CD1-CD2 4.34Å; T238-L240 VanDerWaalsContact C-N 3.27Å; T238-L240 PolarHBondContact O-N 3.32Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L242 PolarHBondContact O-N 2.7Å; L240-I243 PolarHBondContact O-N 3Å; L240-I244 HydrophobicContact CD1-CD1 4.16Å; L240-I244 HydrophobicContact CD1-CG1 4.26Å; L240-I244 HydrophobicContact CG-CD1 3.96Å; L240-I244 WeakPolarHBondContact O-CG1 3.45Å; L240-I244 PolarHBondContact O-N 3.26Å; L240-I262 HydrophobicContact CD1-CG2 3.82Å; L240-M263 HydrophobicContact CD1-CE 4.22Å; L240-Y266 HydrophobicContact CB-CD2 3.84Å; L240-Y266 HydrophobicContact CB-CE2 3.63Å; L240-Y266 HydrophobicContact CD1-CD2 4.08Å; L240-Y266 HydrophobicContact CD1-CG 4.26Å; L240-Y266 HydrophobicContact CG-CD2 4.49Å |
| 241 | A | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L27 L233 F236 T238 L239 I244 R245 | L27-A241 HydrophobicContact CD1-CB 3.78Å; L233-A241 HydrophobicContact CB-CB 4.35Å; L233-A241 HydrophobicContact CD2-CB 4.13Å; L233-A241 WeakPolarHBondContact O-CB 3.29Å; F236-A241 HydrophobicContact CB-CB 4.08Å; T238-A241 WeakPolarHBondContact O-CB 3.45Å; T238-A241 PolarHBondContact O-N 3.38Å; T238-A241 VanDerWaalsContact O-N 3.12Å; T238-A241 WeakPolarHBondContact OG1-CB 3.47Å; T238-A241 PolarHBondContact OG1-N 2.98Å; L239-A241 PolarHBondContact O-N 3.49Å; A241-I244 PolarHBondContact O-N 2.91Å; A241-R245 VanDerWaalsContact O-CG 3.3Å; A241-R245 WeakPolarHBondContact O-CG 3.03Å; A241-R245 PolarHBondContact O-N 2.91Å; A241-R245 VanDerWaalsContact O-N 3.08Å |
| 242 | L | 92.8 | Very high | 91.5 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 179.5 | -66.4 | 170.8 | 0 | 0 | 0 | 111.8 | T238 L239 L240 R245 Q246 L275 | T238-L242 WeakPolarHBondContact O-CG 3.32Å; T238-L242 PolarHBondContact O-N 3.32Å; L239-L242 PolarHBondContact O-N 3.02Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L242 PolarHBondContact O-N 2.7Å; L242-R245 PolarHBondContact O-N 2.66Å; L242-Q246 WeakPolarHBondContact O-CB 3.5Å; L242-Q246 PolarHBondContact O-N 3.41Å; L242-L275 HydrophobicContact CB-CD1 4Å; L242-L275 HydrophobicContact CB-CD2 4.15Å; L242-L275 HydrophobicContact CD1-CD1 4.08Å; L242-L275 HydrophobicContact CD1-CD2 4.13Å; L242-L275 HydrophobicContact CD2-CD2 4.05Å; L242-L275 HydrophobicContact CG-CD2 4.32Å |
| 243 | I | 93.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 176.2 | -66 | 163.9 | 0 | 0 | 0 | 110.8 | L239 L240 R245 Q246 Q247 I262 I265 Y266 | L239-I243 HydrophobicContact CD1-CD1 3.82Å; L239-I243 HydrophobicContact CD1-CG1 4.19Å; L239-I243 HydrophobicContact CG-CD1 3.79Å; L239-I243 VanDerWaalsContact O-CG1 3.28Å; L239-I243 WeakPolarHBondContact O-CG1 2.87Å; L239-I243 PolarHBondContact O-N 3.49Å; L240-I243 PolarHBondContact O-N 3Å; I243-R245 VanDerWaalsContact C-N 3.31Å; I243-R245 PolarHBondContact O-N 3.49Å; I243-Q246 PolarHBondContact O-N 3.06Å; I243-Q247 VanDerWaalsContact O-CB 3.23Å; I243-Q247 WeakPolarHBondContact O-CB 3.28Å; I243-Q247 PolarHBondContact O-N 3.4Å; I243-I262 HydrophobicContact CG2-CB 4.2Å; I243-I262 HydrophobicContact CG2-CG1 4.24Å; I243-I262 HydrophobicContact CG2-CG2 3.89Å; I243-I265 HydrophobicContact CD1-CB 4.29Å; I243-I265 HydrophobicContact CD1-CG2 3.68Å; I243-I265 HydrophobicContact CG1-CG2 3.8Å; I243-I265 HydrophobicContact CG2-CB 4.06Å; I243-I265 HydrophobicContact CG2-CD1 4.29Å; I243-I265 HydrophobicContact CG2-CG2 4.07Å; I243-Y266 HydrophobicContact CD1-CD2 4Å; I243-Y266 HydrophobicContact CD1-CG 4.5Å |
| 244 | I | 94.5 | Very high | 92 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 178 | -70.1 | 166.4 | 0 | 0 | 0 | 110.3 | L27 I31 L218 W226 L233 L240 A241 Q247 L248 I262 | L27-I244 HydrophobicContact CB-CD1 4.39Å; L27-I244 HydrophobicContact CD1-CD1 4.21Å; L27-I244 HydrophobicContact CD2-CD1 4.14Å; L27-I244 HydrophobicContact CG-CD1 4.49Å; I31-I244 HydrophobicContact CD1-CD1 4.19Å; L218-I244 HydrophobicContact CD2-CG2 4.03Å; W226-I244 HydrophobicContact CH2-CG2 4.25Å; L233-I244 HydrophobicContact CD1-CG2 3.78Å; L233-I244 HydrophobicContact CD2-CD1 4.43Å; L233-I244 HydrophobicContact CD2-CG2 4.39Å; L240-I244 HydrophobicContact CD1-CD1 4.16Å; L240-I244 HydrophobicContact CD1-CG1 4.26Å; L240-I244 HydrophobicContact CG-CD1 3.96Å; L240-I244 WeakPolarHBondContact O-CG1 3.45Å; L240-I244 PolarHBondContact O-N 3.26Å; A241-I244 PolarHBondContact O-N 2.91Å; I244-Q247 PolarHBondContact O-N 2.93Å; I244-L248 HydrophobicContact CG2-CD1 3.75Å; I244-L248 WeakPolarHBondContact O-CB 3.33Å; I244-L248 VanDerWaalsContact O-CG 3.3Å; I244-L248 WeakPolarHBondContact O-CG 3.4Å; I244-L248 PolarHBondContact O-N 3.01Å; I244-I262 HydrophobicContact CG1-CD1 4.24Å; I244-I262 HydrophobicContact CG1-CG2 3.96Å |
| 245 | R | 93.8 | Very high | 92.3 | Very high | 55 Ų | 55 | 55 Ų | 55 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -50.4 | -179.6 | -71.1 | 179.5 | 71.8 | -142.6 | 1.4 | 112 | D230 L233 A241 L242 I243 Q247 L248 L249 | D230-R245 IonicContact OD1-CZ 2.76Å; D230-R245 IonicContact OD1-NE 2.74Å; D230-R245 PolarHBondContact OD1-NE 3.14Å; D230-R245 IonicContact OD1-NH2 3.22Å; D230-R245 PolarHBondContact OD1-NH2 3.37Å; D230-R245 IonicContact OD2-CZ 3.16Å; D230-R245 IonicContact OD2-NE 3.98Å; D230-R245 IonicContact OD2-NH2 2.74Å; D230-R245 PolarHBondContact OD2-NH2 3.35Å; L233-R245 HydrophobicContact CB-CG 3.54Å; L233-R245 HydrophobicContact CD1-CG 3.64Å; L233-R245 HydrophobicContact CG-CG 4.21Å; A241-R245 VanDerWaalsContact O-CG 3.3Å; A241-R245 WeakPolarHBondContact O-CG 3.03Å; A241-R245 PolarHBondContact O-N 2.91Å; A241-R245 VanDerWaalsContact O-N 3.08Å; L242-R245 PolarHBondContact O-N 2.66Å; I243-R245 VanDerWaalsContact C-N 3.31Å; I243-R245 PolarHBondContact O-N 3.49Å; R245-Q247 VanDerWaalsContact C-N 3.32Å; R245-Q247 PolarHBondContact O-N 3.07Å; R245-L248 PolarHBondContact O-N 3.34Å; R245-L249 WeakPolarHBondContact O-CB 3.3Å; R245-L249 PolarHBondContact O-N 3.37Å; R245-L249 VanDerWaalsContact O-N 3.07Å |
| 246 | Q | 92.3 | Very high | 92.6 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 43% | 0.425 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | -178.6 | -178.9 | 174.7 | -0.2 | 0 | 0 | 111.2 | L242 I243 L248 | L242-Q246 WeakPolarHBondContact O-CB 3.5Å; L242-Q246 PolarHBondContact O-N 3.41Å; I243-Q246 PolarHBondContact O-N 3.06Å; Q246-L248 VanDerWaalsContact C-N 3.35Å; Q246-L248 PolarHBondContact O-N 3.26Å |
| 247 | Q | 93.8 | Very high | 92.9 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.5 | -29.9 | -174.7 | -173.4 | 57.6 | 11.9 | 0 | 0 | 113.4 | I243 I244 R245 E261 I262 | I243-Q247 VanDerWaalsContact O-CB 3.23Å; I243-Q247 WeakPolarHBondContact O-CB 3.28Å; I243-Q247 PolarHBondContact O-N 3.4Å; I244-Q247 PolarHBondContact O-N 2.93Å; R245-Q247 VanDerWaalsContact C-N 3.32Å; R245-Q247 PolarHBondContact O-N 3.07Å; Q247-E261 PolarHBondContact NE2-OE2 3.05Å; Q247-I262 HydrophobicContact CB-CD1 4.41Å; Q247-I262 HydrophobicContact CB-CG1 3.88Å; Q247-I262 HydrophobicContact CG-CD1 4.34Å; Q247-I262 HydrophobicContact CG-CG1 3.8Å |
| 248 | L | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -100 | 2.6 | -177.5 | -56.9 | 178 | 0 | 0 | 0 | 113.4 | L218 V221 W226 I244 R245 Q246 G250 K251 C254 D258 I262 | L218-L248 HydrophobicContact CD2-CD1 3.6Å; V221-L248 HydrophobicContact CG1-CB 4.3Å; V221-L248 HydrophobicContact CG2-CD1 3.8Å; W226-L248 HydrophobicContact CH2-CB 4.44Å; W226-L248 HydrophobicContact CH2-CD1 3.93Å; W226-L248 HydrophobicContact CZ2-CB 3.94Å; W226-L248 HydrophobicContact CZ2-CD1 4.26Å; I244-L248 HydrophobicContact CG2-CD1 3.75Å; I244-L248 WeakPolarHBondContact O-CB 3.33Å; I244-L248 VanDerWaalsContact O-CG 3.3Å; I244-L248 WeakPolarHBondContact O-CG 3.4Å; I244-L248 PolarHBondContact O-N 3.01Å; R245-L248 PolarHBondContact O-N 3.34Å; Q246-L248 VanDerWaalsContact C-N 3.35Å; Q246-L248 PolarHBondContact O-N 3.26Å; L248-G250 PolarHBondContact O-N 3.38Å; L248-K251 PolarHBondContact O-N 3.08Å; L248-C254 HydrophobicContact CD1-CB 4.5Å; L248-C254 HydrophobicContact CD2-CB 4.05Å; L248-D258 HydrophobicContact CD2-CB 3.89Å; L248-I262 HydrophobicContact CD1-CD1 4.37Å; L248-I262 HydrophobicContact CD2-CD1 4.48Å; L248-I262 HydrophobicContact CG-CD1 4.36Å |
| 249 | L | 91.4 | Very high | 93.6 | Very high | 132 Ų | 132 | 47.1 Ų | 47.1 | 69% | 0.691 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 122.9 | 179.1 | -173.8 | 65.6 | 0 | 0 | 0 | 110.9 | R245 K251 | R245-L249 WeakPolarHBondContact O-CB 3.3Å; R245-L249 PolarHBondContact O-N 3.37Å; R245-L249 VanDerWaalsContact O-N 3.07Å; L249-K251 PolarHBondContact O-N 3.45Å |
| 250 | G | 89.6 | Confident | 93.8 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 85% | 0.845 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 6.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | L248 | L248-G250 PolarHBondContact O-N 3.38Š|
| 251 | K | 93.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | trans | -76.5 | 142.4 | 175.7 | -64.9 | -75.9 | -177.9 | 130.9 | 0 | 110.6 | V221 G222 L248 L249 S253 D258 | V221-K251 HydrophobicContact CG1-CB 4.09Å; G222-K251 VanDerWaalsContact CA-O 3.26Å; G222-K251 WeakPolarHBondContact CA-O 3.48Å; G222-K251 PolarHBondContact N-O 2.97Å; L248-K251 PolarHBondContact O-N 3.08Å; L249-K251 PolarHBondContact O-N 3.45Å; K251-S253 VanDerWaalsContact C-N 3.32Å; K251-D258 IonicContact NZ-OD1 3.57Å; K251-D258 PolarHBondContact NZ-OD1 3.01Å | ||
| 252 | S | 93.6 | Very high | 93.9 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 73% | 0.734 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -78.8 | -15.7 | 173.9 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 253 | S | 94.5 | Very high | 93.9 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 42% | 0.42 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -168.3 | 158.5 | 179.6 | 56.9 | 0 | 0 | 0 | 0 | 110 | K251 | K251-S253 VanDerWaalsContact C-N 3.32Š|
| 254 | C | 95.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | trans | -93.3 | 120.2 | 171.4 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | F34 Y40 V221 L248 I259 | F34-C254 HydrophobicContact CE1-CB 3.93Å; F34-C254 HydrophobicContact CZ-CB 3.69Å; F34-C254 WeakPolarHBondContact CZ-O 3.42Å; Y40-C254 PolarHBondContact OH-O 3.39Å; V221-C254 HydrophobicContact CB-CB 4.17Å; V221-C254 HydrophobicContact CG1-CB 4.32Å; V221-C254 HydrophobicContact CG2-CB 4.03Å; L248-C254 HydrophobicContact CD1-CB 4.5Å; L248-C254 HydrophobicContact CD2-CB 4.05Å; C254-I259 WeakPolarHBondContact SG-CD1 3.42Å | ||
| 255 | T | 95.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 59 Ų | 59 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | trans | -99 | 165.7 | -179.9 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | K257 D258 I259 | T255-K257 PolarHBondContact O-N 3Å; T255-D258 WeakPolarHBondContact CB-OD2 3.27Å; T255-D258 PolarHBondContact N-OD2 3Å; T255-D258 WeakPolarHBondContact O-CB 3.46Å; T255-D258 PolarHBondContact O-N 3.37Å; T255-D258 VanDerWaalsContact O-N 3.09Å; T255-D258 VanDerWaalsContact OG1-CG 3.24Å; T255-D258 PolarHBondContact OG1-N 3.45Å; T255-D258 PolarHBondContact OG1-OD2 3.23Å; T255-I259 PolarHBondContact O-N 3.08Å; T255-I259 VanDerWaalsContact O-N 3.16Å | ||
| 256 | E | 95 | Very high | 93.3 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.1 | -38.5 | 174.8 | -172.9 | 163.6 | -149.3 | 0 | 0 | 112.4 | Y40 T41 S42 V43 D258 I259 F260 | Y40-E256 VanDerWaalsContact CA-OE1 3.24Å; Y40-E256 WeakPolarHBondContact CA-OE1 3.38Å; Y40-E256 WeakPolarHBondContact CB-OE1 3.48Å; Y40-E256 HydrophobicContact CD1-CB 3.77Å; Y40-E256 HydrophobicContact CD1-CG 4.29Å; Y40-E256 HydrophobicContact CD2-CB 3.81Å; Y40-E256 HydrophobicContact CD2-CG 4.32Å; Y40-E256 HydrophobicContact CE1-CB 4.08Å; Y40-E256 HydrophobicContact CE2-CB 4.12Å; Y40-E256 VanDerWaalsContact CE2-N 3.27Å; Y40-E256 HydrophobicContact CG-CB 3.63Å; Y40-E256 HydrophobicContact CG-CG 3.9Å; T41-E256 PolarHBondContact N-OE1 3.12Å; S42-E256 VanDerWaalsContact CB-OE1 3.3Å; S42-E256 WeakPolarHBondContact CB-OE1 3.43Å; S42-E256 PolarHBondContact N-OE1 3.27Å; S42-E256 PolarHBondContact OG-OE1 3Å; V43-E256 HydrophobicContact CB-CG 4.47Å; V43-E256 HydrophobicContact CG1-CG 3.64Å; V43-E256 HydrophobicContact CG2-CG 4.02Å; E256-D258 VanDerWaalsContact C-N 3.34Å; E256-D258 PolarHBondContact O-N 3Å; E256-I259 PolarHBondContact O-N 3.29Å; E256-F260 PolarHBondContact O-N 3.46Å |
| 257 | K | 95.1 | Very high | 92.9 | Very high | 144 Ų | 144 | 56.4 Ų | 56.4 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 175.4 | -175.9 | 179.1 | 175.3 | -176.9 | 0 | 112.1 | T255 I259 F260 E261 | T255-K257 PolarHBondContact O-N 3Å; K257-I259 VanDerWaalsContact C-N 3.32Å; K257-I259 PolarHBondContact O-N 2.78Å; K257-F260 PolarHBondContact O-N 3.24Å; K257-E261 WeakPolarHBondContact CE-OE1 3.3Å; K257-E261 IonicContact NZ-OE1 2.7Å; K257-E261 WeakPolarHBondContact O-CG 3.35Å; K257-E261 PolarHBondContact O-N 2.71Å |
| 258 | D | 96 | Very high | 92.4 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.2 | -57.5 | -58.5 | 0 | 0 | 0 | 110.7 | L248 K251 T255 E256 E261 I262 | L248-D258 HydrophobicContact CD2-CB 3.89Å; K251-D258 IonicContact NZ-OD1 3.57Å; K251-D258 PolarHBondContact NZ-OD1 3.01Å; T255-D258 WeakPolarHBondContact CB-OD2 3.27Å; T255-D258 PolarHBondContact N-OD2 3Å; T255-D258 WeakPolarHBondContact O-CB 3.46Å; T255-D258 PolarHBondContact O-N 3.37Å; T255-D258 VanDerWaalsContact O-N 3.09Å; T255-D258 VanDerWaalsContact OG1-CG 3.24Å; T255-D258 PolarHBondContact OG1-N 3.45Å; T255-D258 PolarHBondContact OG1-OD2 3.23Å; E256-D258 VanDerWaalsContact C-N 3.34Å; E256-D258 PolarHBondContact O-N 3Å; D258-E261 PolarHBondContact O-N 3.38Å; D258-I262 VanDerWaalsContact O-CG1 3.25Å; D258-I262 WeakPolarHBondContact O-CG1 3.45Å; D258-I262 PolarHBondContact O-N 2.93Å |
| 259 | I | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -49 | 174.2 | -60 | -58.4 | 0 | 0 | 0 | 110.5 | I31 F34 V35 V43 V47 L218 C254 T255 E256 K257 E261 I262 M263 | I31-I259 HydrophobicContact CG2-CD1 4.41Å; I31-I259 HydrophobicContact CG2-CG2 3.99Å; F34-I259 HydrophobicContact CD1-CD1 4.03Å; F34-I259 HydrophobicContact CD1-CG1 4.32Å; F34-I259 HydrophobicContact CE1-CD1 4.17Å; F34-I259 HydrophobicContact CE1-CG1 4.28Å; V35-I259 HydrophobicContact CG2-CG1 4.23Å; V35-I259 HydrophobicContact CG2-CG2 3.89Å; V43-I259 HydrophobicContact CB-CG2 4.35Å; V43-I259 HydrophobicContact CG2-CB 4.37Å; V43-I259 HydrophobicContact CG2-CG2 3.94Å; V47-I259 HydrophobicContact CG2-CG2 4.15Å; L218-I259 HydrophobicContact CD1-CD1 3.98Å; C254-I259 WeakPolarHBondContact SG-CD1 3.42Å; T255-I259 PolarHBondContact O-N 3.08Å; T255-I259 VanDerWaalsContact O-N 3.16Å; E256-I259 PolarHBondContact O-N 3.29Å; K257-I259 VanDerWaalsContact C-N 3.32Å; K257-I259 PolarHBondContact O-N 2.78Å; I259-E261 VanDerWaalsContact C-N 3.28Å; I259-E261 PolarHBondContact O-N 2.88Å; I259-I262 HydrophobicContact CD1-CD1 4.47Å; I259-I262 PolarHBondContact O-N 3.09Å; I259-I262 VanDerWaalsContact O-N 3.13Å; I259-M263 HydrophobicContact CG2-CG 4.15Å; I259-M263 VanDerWaalsContact O-CG 3.26Å; I259-M263 WeakPolarHBondContact O-CG 3.19Å; I259-M263 PolarHBondContact O-N 3.11Å |
| 260 | F | 93.9 | Very high | 89.3 | Confident | 100 Ų | 100 | 62 Ų | 62 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.6 | -44.8 | 178.3 | -174.8 | -95.3 | 0 | 0 | 0 | 112 | V43 E46 E256 K257 M263 H264 | V43-F260 HydrophobicContact CG1-CB 3.86Å; V43-F260 HydrophobicContact CG1-CD2 4.16Å; E46-F260 HydrophobicContact CG-CE2 4.43Å; E256-F260 PolarHBondContact O-N 3.46Å; K257-F260 PolarHBondContact O-N 3.24Å; F260-M263 PolarHBondContact O-N 3.42Å; F260-H264 WeakPolarHBondContact O-CB 3.37Å; F260-H264 PolarHBondContact O-N 2.86Å |
| 261 | E | 93.2 | Very high | 87.1 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.3 | -72.2 | 179.1 | -158.2 | 0 | 0 | 112.3 | Q247 K257 D258 I259 M263 H264 I265 | Q247-E261 PolarHBondContact NE2-OE2 3.05Å; K257-E261 WeakPolarHBondContact CE-OE1 3.3Å; K257-E261 IonicContact NZ-OE1 2.7Å; K257-E261 WeakPolarHBondContact O-CG 3.35Å; K257-E261 PolarHBondContact O-N 2.71Å; D258-E261 PolarHBondContact O-N 3.38Å; I259-E261 VanDerWaalsContact C-N 3.28Å; I259-E261 PolarHBondContact O-N 2.88Å; E261-M263 VanDerWaalsContact C-N 3.34Å; E261-M263 PolarHBondContact O-N 2.95Å; E261-H264 PolarHBondContact O-N 3.12Å; E261-I265 WeakPolarHBondContact O-CD1 3.49Å; E261-I265 VanDerWaalsContact O-CG1 3.23Å; E261-I265 WeakPolarHBondContact O-CG1 3.48Å; E261-I265 PolarHBondContact O-N 3.13Å |
| 262 | I | 94.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 174.5 | -65.7 | 163.7 | 0 | 0 | 0 | 110.5 | L240 I243 I244 Q247 L248 D258 I259 H264 Y266 | L240-I262 HydrophobicContact CD1-CG2 3.82Å; I243-I262 HydrophobicContact CG2-CB 4.2Å; I243-I262 HydrophobicContact CG2-CG1 4.24Å; I243-I262 HydrophobicContact CG2-CG2 3.89Å; I244-I262 HydrophobicContact CG1-CD1 4.24Å; I244-I262 HydrophobicContact CG1-CG2 3.96Å; Q247-I262 HydrophobicContact CB-CD1 4.41Å; Q247-I262 HydrophobicContact CB-CG1 3.88Å; Q247-I262 HydrophobicContact CG-CD1 4.34Å; Q247-I262 HydrophobicContact CG-CG1 3.8Å; L248-I262 HydrophobicContact CD1-CD1 4.37Å; L248-I262 HydrophobicContact CD2-CD1 4.48Å; L248-I262 HydrophobicContact CG-CD1 4.36Å; D258-I262 VanDerWaalsContact O-CG1 3.25Å; D258-I262 WeakPolarHBondContact O-CG1 3.45Å; D258-I262 PolarHBondContact O-N 2.93Å; I259-I262 HydrophobicContact CD1-CD1 4.47Å; I259-I262 PolarHBondContact O-N 3.09Å; I259-I262 VanDerWaalsContact O-N 3.13Å; I262-H264 VanDerWaalsContact C-N 3.35Å; I262-Y266 WeakPolarHBondContact O-CB 3.47Å; I262-Y266 PolarHBondContact O-N 3.35Å |
| 263 | M | 91.6 | Very high | 82.4 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 179.8 | -57 | -60.8 | 78.9 | 0 | 0 | 111.6 | I31 V47 L50 L240 I259 F260 E261 N267 | I31-M263 HydrophobicContact CD1-CE 3.62Å; I31-M263 HydrophobicContact CG2-CE 4.44Å; I31-M263 HydrophobicContact CG2-SD 4.34Å; V47-M263 HydrophobicContact CB-SD 4.4Å; V47-M263 HydrophobicContact CG2-CG 4.14Å; V47-M263 HydrophobicContact CG2-SD 3.74Å; L50-M263 HydrophobicContact CD1-CB 4.28Å; L50-M263 HydrophobicContact CD1-CE 3.73Å; L50-M263 HydrophobicContact CD1-CG 4.28Å; L50-M263 HydrophobicContact CD1-SD 3.18Å; L50-M263 WeakPolarHBondContact CD1-SD 3.41Å; L50-M263 HydrophobicContact CG-SD 4.24Å; L240-M263 HydrophobicContact CD1-CE 4.22Å; I259-M263 HydrophobicContact CG2-CG 4.15Å; I259-M263 VanDerWaalsContact O-CG 3.26Å; I259-M263 WeakPolarHBondContact O-CG 3.19Å; I259-M263 PolarHBondContact O-N 3.11Å; F260-M263 PolarHBondContact O-N 3.42Å; E261-M263 VanDerWaalsContact C-N 3.34Å; E261-M263 PolarHBondContact O-N 2.95Å; M263-N267 WeakPolarHBondContact O-CB 3.22Å; M263-N267 PolarHBondContact O-N 2.97Å; M263-N267 PolarHBondContact O-ND2 2.98Å |
| 264 | H | 90.4 | Very high | 80 | Confident | 121 Ų | 121 | 65.1 Ų | 65.1 | 56% | 0.56 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.1 | -48 | 178.6 | -171.6 | 68.7 | 0 | 0 | 0 | 112 | F260 E261 I262 Y266 N267 S268 | F260-H264 WeakPolarHBondContact O-CB 3.37Å; F260-H264 PolarHBondContact O-N 2.86Å; E261-H264 PolarHBondContact O-N 3.12Å; I262-H264 VanDerWaalsContact C-N 3.35Å; H264-Y266 PolarHBondContact O-N 3.2Å; H264-N267 PolarHBondContact O-N 3.32Å; H264-S268 PolarHBondContact O-N 3.23Å; H264-S268 PolarHBondContact O-OG 3.5Å |
| 265 | I | 90.3 | Very high | 77.6 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 178.8 | -63.1 | 164 | 0 | 0 | 0 | 110.9 | I243 E261 N267 S268 | I243-I265 HydrophobicContact CD1-CB 4.29Å; I243-I265 HydrophobicContact CD1-CG2 3.68Å; I243-I265 HydrophobicContact CG1-CG2 3.8Å; I243-I265 HydrophobicContact CG2-CB 4.06Å; I243-I265 HydrophobicContact CG2-CD1 4.29Å; I243-I265 HydrophobicContact CG2-CG2 4.07Å; E261-I265 WeakPolarHBondContact O-CD1 3.49Å; E261-I265 VanDerWaalsContact O-CG1 3.23Å; E261-I265 WeakPolarHBondContact O-CG1 3.48Å; E261-I265 PolarHBondContact O-N 3.13Å; I265-N267 VanDerWaalsContact C-N 3.35Å; I265-N267 PolarHBondContact O-N 2.57Å; I265-S268 PolarHBondContact O-N 3.46Å; I265-S268 PolarHBondContact O-OG 2.91Å; I265-S268 VanDerWaalsContact O-OG 3.04Å |
| 266 | Y | 89.1 | Confident | 74.7 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 11% | 0.106 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 178.3 | -172.8 | -102.6 | 0 | 0 | 0 | 111.5 | D24 L50 L54 L239 L240 I243 I262 H264 Q269 | D24-Y266 PolarHBondContact OD2-OH 3.29Å; D24-Y266 VanDerWaalsContact OD2-OH 3.04Å; L50-Y266 HydrophobicContact CD1-CD1 3.98Å; L50-Y266 HydrophobicContact CD2-CD1 3.91Å; L50-Y266 HydrophobicContact CD2-CE1 4.43Å; L54-Y266 VanDerWaalsContact CD2-OH 3.31Å; L54-Y266 WeakPolarHBondContact CD2-OH 3.46Å; L239-Y266 HydrophobicContact CB-CD2 4.46Å; L239-Y266 HydrophobicContact CB-CE2 4.14Å; L239-Y266 HydrophobicContact CD2-CD2 4.06Å; L239-Y266 HydrophobicContact CD2-CE2 4.11Å; L239-Y266 HydrophobicContact CG-CD2 3.97Å; L239-Y266 HydrophobicContact CG-CE2 4.1Å; L240-Y266 HydrophobicContact CB-CD2 3.84Å; L240-Y266 HydrophobicContact CB-CE2 3.63Å; L240-Y266 HydrophobicContact CD1-CD2 4.08Å; L240-Y266 HydrophobicContact CD1-CG 4.26Å; L240-Y266 HydrophobicContact CG-CD2 4.49Å; I243-Y266 HydrophobicContact CD1-CD2 4Å; I243-Y266 HydrophobicContact CD1-CG 4.5Å; I262-Y266 WeakPolarHBondContact O-CB 3.47Å; I262-Y266 PolarHBondContact O-N 3.35Å; H264-Y266 PolarHBondContact O-N 3.2Å; Y266-Q269 PolarHBondContact O-N 3.44Å |
| 267 | N | 84.8 | Confident | 73.7 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 35% | 0.353 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 176.6 | -87.8 | -33.9 | 0 | 0 | 0 | 113.8 | L50 H53 M263 H264 I265 Q269 | L50-N267 VanDerWaalsContact CD2-CG 3.42Å; L50-N267 WeakPolarHBondContact CD2-ND2 2.98Å; L50-N267 WeakPolarHBondContact CD2-OD1 3.31Å; H53-N267 PolarHBondContact CE1-OD1 3.19Å; H53-N267 PolarHBondContact ND1-OD1 3.04Å; M263-N267 WeakPolarHBondContact O-CB 3.22Å; M263-N267 PolarHBondContact O-N 2.97Å; M263-N267 PolarHBondContact O-ND2 2.98Å; H264-N267 PolarHBondContact O-N 3.32Å; I265-N267 VanDerWaalsContact C-N 3.35Å; I265-N267 PolarHBondContact O-N 2.57Å; N267-Q269 PolarHBondContact O-N 3.2Å |
| 268 | S | 82.8 | Confident | 72.6 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -1.4 | -179.1 | 67 | 0 | 0 | 0 | 0 | 113.2 | H264 I265 S270 | H264-S268 PolarHBondContact O-N 3.23Å; H264-S268 PolarHBondContact O-OG 3.5Å; I265-S268 PolarHBondContact O-N 3.46Å; I265-S268 PolarHBondContact O-OG 2.91Å; I265-S268 VanDerWaalsContact O-OG 3.04Å; S268-S270 WeakPolarHBondContact CB-OG 3.45Å; S268-S270 PolarHBondContact O-N 2.75Å; S268-S270 PolarHBondContact O-OG 3.45Å; S268-S270 PolarHBondContact OG-OG 3.24Å |
| 269 | Q | 67.6 | Low | 71.3 | Confident | 166 Ų | 166 | 78.1 Ų | 78.1 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 18.5 | -175.5 | -63.1 | -173.8 | 0.3 | 0 | 0 | 113.8 | Y266 N267 C271 | Y266-Q269 PolarHBondContact O-N 3.44Å; N267-Q269 PolarHBondContact O-N 3.2Å; Q269-C271 PolarHBondContact O-N 3.3Å; Q269-C271 VanDerWaalsContact O-N 3.11Å |
| 270 | S | 51.7 | Low | 69.8 | Low | 63 Ų | 63 | 82.6 Ų | 82.6 | 44% | 0.441 | 44% | 0.443 | S | S | . | . | trans | -86.7 | 91 | -176.6 | -19.8 | 0 | 0 | 0 | 0 | 106.2 | S268 P272 | S268-S270 WeakPolarHBondContact CB-OG 3.45Å; S268-S270 PolarHBondContact O-N 2.75Å; S268-S270 PolarHBondContact O-OG 3.45Å; S268-S270 PolarHBondContact OG-OG 3.24Å; S270-P272 WeakPolarHBondContact O-CD 3.3Å | ||
| 271 | C | 45.3 | Very low | 68.3 | Low | 72 Ų | 72 | 81.6 Ų | 81.6 | 49% | 0.486 | 44% | 0.443 | S | S | . | . | trans | -55.7 | 121.8 | 161.9 | -106.3 | 0 | 0 | 0 | 0 | 107.3 | L239 Q269 S273 | L239-C271 WeakPolarHBondContact CD1-SG 3.16Å; Q269-C271 PolarHBondContact O-N 3.3Å; Q269-C271 VanDerWaalsContact O-N 3.11Å; C271-S273 PolarHBondContact O-N 3.14Å; C271-S273 VanDerWaalsContact O-N 3.14Å | ||
| 272 | P | 44.8 | Very low | 66.7 | Low | 36 Ų | 36 | 82.7 Ų | 82.7 | 23% | 0.234 | 45% | 0.452 | C | S | . | . | trans | -54.8 | 125.2 | 164.7 | -25.2 | 38.2 | 0 | 0 | 0 | 107.4 | S270 Q274 L275 | S270-P272 WeakPolarHBondContact O-CD 3.3Å; P272-Q274 PolarHBondContact O-N 3.28Å; P272-L275 PolarHBondContact O-N 2.8Å | ||
| 273 | S | 42.4 | Very low | 64.7 | Low | 125 Ų | 125 | 88.6 Ų | 88.6 | 87% | 0.874 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 7.5 | -173.1 | 38.9 | 0 | 0 | 0 | 0 | 114.8 | C271 | C271-S273 PolarHBondContact O-N 3.14Å; C271-S273 VanDerWaalsContact O-N 3.14Å |
| 274 | Q | 43.7 | Very low | 62.7 | Low | 165 Ų | 165 | 95.2 Ų | 95.2 | 77% | 0.771 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 16 | 175.1 | -63.3 | -173.9 | -28.5 | 0 | 0 | 113.1 | P272 | P272-Q274 PolarHBondContact O-N 3.28Š|
| 275 | L | 45.2 | Very low | 60.3 | Low | 63 Ų | 63 | 93.1 Ų | 93.1 | 33% | 0.33 | 52% | 0.518 | S | S | . | . | trans | -100.8 | 19.3 | -177.3 | -73.5 | 172.6 | 0 | 0 | 0 | 115.3 | L242 P272 | L242-L275 HydrophobicContact CB-CD1 4Å; L242-L275 HydrophobicContact CB-CD2 4.15Å; L242-L275 HydrophobicContact CD1-CD1 4.08Å; L242-L275 HydrophobicContact CD1-CD2 4.13Å; L242-L275 HydrophobicContact CD2-CD2 4.05Å; L242-L275 HydrophobicContact CG-CD2 4.32Å; P272-L275 PolarHBondContact O-N 2.8Å | ||
| 276 | L | 36.5 | Very low | 57.6 | Low | 236 Ų | 236 | 97.6 Ų | 97.6 | 100% | 1.236 | 55% | 0.545 | S | S | * | . | trans | -122.2 | 0 | 160.7 | -77.8 | 168.7 | 0 | 0 | 0 | 108.8 |
Retrieved 276 of 276 residues in 259.5 ms
(Link to these results)