| 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 | 63.1 | Low | 76.8 | Confident | 109 Ų | 109 | 77.9 Ų | 77.9 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | 0 | -43 | 0 | -153.1 | 160.5 | 56 | 0 | 0 | 113.5 | I3 A4 S5 E50 I53 D54 | M1-I3 PolarHBondContact O-N 2.9Å; M1-A4 PolarHBondContact O-N 3.48Å; M1-S5 PolarHBondContact O-N 2.93Å; M1-S5 PolarHBondContact O-OG 3.46Å; M1-E50 WeakPolarHBondContact CE-O 3.45Å; M1-I53 HydrophobicContact CB-CG2 4.16Å; M1-I53 HydrophobicContact CE-CB 4.15Å; M1-I53 HydrophobicContact CE-CG2 4.13Å; M1-I53 HydrophobicContact CG-CG2 4.04Å; M1-D54 HydrophobicContact CE-CB 3.62Å; M1-D54 VanDerWaalsContact SD-CA 3.59Å; M1-D54 HydrophobicContact SD-CB 3.53Å; M1-D54 VanDerWaalsContact SD-CB 3.53Å; M1-D54 VanDerWaalsContact SD-OD1 3.4Å | |||
| 2 | V | 67.4 | Low | 77 | Confident | 87 Ų | 87 | 72 Ų | 72 | 53% | 0.527 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.1 | -49.9 | 179.4 | -166.2 | 0 | 0 | 0 | 0 | 113.1 | A4 S5 V6 I53 | V2-A4 VanDerWaalsContact C-N 3.34Å; V2-A4 PolarHBondContact O-N 3.01Å; V2-S5 WeakPolarHBondContact O-CB 3.33Å; V2-S5 PolarHBondContact O-N 3.45Å; V2-S5 VanDerWaalsContact O-N 3.11Å; V2-V6 WeakPolarHBondContact O-CG2 3.36Å; V2-V6 PolarHBondContact O-N 2.7Å; V2-I53 HydrophobicContact CG2-CD1 3.69Å; V2-I53 HydrophobicContact CG2-CG2 4.3Å |
| 3 | I | 73.5 | Confident | 76.8 | Confident | 147 Ų | 147 | 74.4 Ų | 74.4 | 75% | 0.754 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 179.9 | -63.5 | 170.8 | 0 | 0 | 0 | 111.2 | M1 S5 V6 E7 | M1-I3 PolarHBondContact O-N 2.9Å; I3-S5 VanDerWaalsContact C-N 3.28Å; I3-S5 PolarHBondContact O-N 3.31Å; I3-V6 PolarHBondContact O-N 2.87Å; I3-E7 WeakPolarHBondContact O-CB 3.36Å; I3-E7 PolarHBondContact O-N 2.97Å |
| 4 | A | 77.1 | Confident | 77.2 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 V2 C8 H57 | M1-A4 PolarHBondContact O-N 3.48Å; V2-A4 VanDerWaalsContact C-N 3.34Å; V2-A4 PolarHBondContact O-N 3.01Å; A4-C8 WeakPolarHBondContact O-CB 2.99Å; A4-C8 PolarHBondContact O-N 2.86Å; A4-H57 VanDerWaalsContact C-CE1 3.41Å; A4-H57 PolarHBondContact O-CE1 3.05Å; A4-H57 PolarHBondContact O-ND1 3.39Å |
| 5 | S | 76.1 | Confident | 77.3 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67 | -44.6 | 176.3 | -57 | 0 | 0 | 0 | 0 | 112.3 | M1 V2 I3 C8 N9 I53 H57 | M1-S5 PolarHBondContact O-N 2.93Å; M1-S5 PolarHBondContact O-OG 3.46Å; V2-S5 WeakPolarHBondContact O-CB 3.33Å; V2-S5 PolarHBondContact O-N 3.45Å; V2-S5 VanDerWaalsContact O-N 3.11Å; I3-S5 VanDerWaalsContact C-N 3.28Å; I3-S5 PolarHBondContact O-N 3.31Å; S5-C8 PolarHBondContact O-N 3.32Å; S5-N9 PolarHBondContact O-N 3.42Å; S5-I53 PolarHBondContact OG-O 2.87Å; S5-H57 WeakPolarHBondContact CA-ND1 3.44Å; S5-H57 WeakPolarHBondContact OG-CB 3.31Å |
| 6 | V | 72.4 | Confident | 76.7 | Confident | 74 Ų | 74 | 69.9 Ų | 69.9 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V2 I3 N9 K10 | V2-V6 WeakPolarHBondContact O-CG2 3.36Å; V2-V6 PolarHBondContact O-N 2.7Å; I3-V6 PolarHBondContact O-N 2.87Å; V6-N9 PolarHBondContact O-N 3.41Å; V6-K10 WeakPolarHBondContact O-CG 3.45Å; V6-K10 PolarHBondContact O-N 3.4Å |
| 7 | E | 87 | Confident | 76.5 | Confident | 81 Ų | 81 | 77 Ų | 77 | 38% | 0.379 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 178.7 | -172.4 | 56.5 | -152.8 | 0 | 0 | 112.1 | I3 N9 K10 R11 | I3-E7 WeakPolarHBondContact O-CB 3.36Å; I3-E7 PolarHBondContact O-N 2.97Å; E7-N9 VanDerWaalsContact C-N 3.34Å; E7-N9 PolarHBondContact O-N 3.47Å; E7-K10 PolarHBondContact O-N 3.4Å; E7-R11 PolarHBondContact O-N 2.92Å; E7-R11 IonicContact OE1-NE 2.67Å |
| 8 | C | 84.6 | Confident | 76 | Confident | 9 Ų | 9 | 80.8 Ų | 80.8 | 6% | 0.061 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59 | -45.9 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | A4 S5 K10 R11 F12 C60 I61 | A4-C8 WeakPolarHBondContact O-CB 2.99Å; A4-C8 PolarHBondContact O-N 2.86Å; S5-C8 PolarHBondContact O-N 3.32Å; C8-K10 VanDerWaalsContact C-N 3.33Å; C8-K10 PolarHBondContact O-N 3.18Å; C8-R11 PolarHBondContact O-N 3.47Å; C8-F12 WeakPolarHBondContact O-CB 3.42Å; C8-F12 PolarHBondContact O-N 2.76Å; C8-C60 HydrophobicContact CB-CB 3.97Å; C8-C60 WeakPolarHBondContact CB-SG 2.98Å; C8-C60 PolarHBondContact O-SG 3.28Å; C8-C60 VanDerWaalsContact O-SG 3.41Å; C8-C60 WeakPolarHBondContact SG-CB 3.23Å; C8-C60 CovalentContact SG-SG 2.03Å; C8-C60 PolarHBondContact SG-SG 2.99Å; C8-I61 PolarHBondContact SG-N 2.9Å |
| 9 | N | 78.3 | Confident | 75.4 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 179 | -172 | 42.9 | 0 | 0 | 0 | 111.7 | S5 V6 E7 R11 F12 W13 Y56 C60 | S5-N9 PolarHBondContact O-N 3.42Å; V6-N9 PolarHBondContact O-N 3.41Å; E7-N9 VanDerWaalsContact C-N 3.34Å; E7-N9 PolarHBondContact O-N 3.47Å; N9-R11 PolarHBondContact O-N 3.34Å; N9-F12 WeakPolarHBondContact O-CB 3.23Å; N9-F12 PolarHBondContact O-N 3.49Å; N9-W13 PolarHBondContact O-N 3.31Å; N9-W13 VanDerWaalsContact O-N 3.09Å; N9-W13 PolarHBondContact OD1-NE1 3.33Å; N9-Y56 WeakPolarHBondContact CB-OH 3.45Å; N9-Y56 PolarHBondContact OD1-OH 3.38Å; N9-C60 PolarHBondContact N-SG 3.13Å; N9-C60 VanDerWaalsContact N-SG 3.37Å |
| 10 | K | 81.9 | Confident | 74.5 | Confident | 114 Ų | 114 | 82 Ų | 82 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 173.5 | -74 | 177.1 | -177.1 | 174.7 | 0 | 111.4 | V6 E7 C8 W13 Q14 | V6-K10 WeakPolarHBondContact O-CG 3.45Å; V6-K10 PolarHBondContact O-N 3.4Å; E7-K10 PolarHBondContact O-N 3.4Å; C8-K10 VanDerWaalsContact C-N 3.33Å; C8-K10 PolarHBondContact O-N 3.18Å; K10-W13 PolarHBondContact O-N 2.83Å; K10-Q14 VanDerWaalsContact O-CG 3.31Å; K10-Q14 WeakPolarHBondContact O-CG 2.85Å; K10-Q14 PolarHBondContact O-N 3.03Å |
| 11 | R | 82.9 | Confident | 73.8 | Confident | 139 Ų | 139 | 83 Ų | 83 | 53% | 0.525 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 177.1 | -73.5 | -176.6 | 179.1 | -165.6 | -3.7 | 111.9 | E7 C8 N9 W13 Q14 T15 L64 | E7-R11 PolarHBondContact O-N 2.92Å; E7-R11 IonicContact OE1-NE 2.67Å; C8-R11 PolarHBondContact O-N 3.47Å; N9-R11 PolarHBondContact O-N 3.34Å; R11-W13 VanDerWaalsContact C-N 3.34Å; R11-W13 PolarHBondContact O-N 2.89Å; R11-Q14 WeakPolarHBondContact O-CB 3.48Å; R11-Q14 PolarHBondContact O-N 2.88Å; R11-Q14 VanDerWaalsContact O-N 3.13Å; R11-T15 PolarHBondContact O-N 3.49Å; R11-T15 PolarHBondContact O-OG1 3.29Å; R11-L64 HydrophobicContact CB-CD1 4.31Å; R11-L64 HydrophobicContact CB-CD2 4.07Å |
| 12 | F | 80.1 | Confident | 73.9 | Confident | 7 Ų | 7 | 81.9 Ų | 81.9 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -52 | -51.5 | 175.8 | 174.7 | -88.1 | 0 | 0 | 0 | 111.7 | C8 N9 Q14 T15 M16 I67 | C8-F12 WeakPolarHBondContact O-CB 3.42Å; C8-F12 PolarHBondContact O-N 2.76Å; N9-F12 WeakPolarHBondContact O-CB 3.23Å; N9-F12 PolarHBondContact O-N 3.49Å; F12-Q14 PolarHBondContact O-N 3.19Å; F12-T15 PolarHBondContact O-N 3.3Å; F12-M16 HydrophobicContact CD1-CG 4.35Å; F12-M16 HydrophobicContact CE1-CG 4.01Å; F12-M16 HydrophobicContact CZ-CG 4.21Å; F12-M16 WeakPolarHBondContact O-CB 3.35Å; F12-M16 VanDerWaalsContact O-CG 3.3Å; F12-M16 WeakPolarHBondContact O-CG 3.33Å; F12-M16 PolarHBondContact O-N 2.73Å; F12-I67 HydrophobicContact CD2-CD1 3.47Å; F12-I67 VanDerWaalsContact CD2-CD1 3.47Å; F12-I67 HydrophobicContact CE2-CD1 3.13Å; F12-I67 HydrophobicContact CE2-CG1 4.41Å; F12-I67 HydrophobicContact CG-CD1 4.34Å; F12-I67 HydrophobicContact CZ-CD1 3.77Å |
| 13 | W | 74.5 | Confident | 73.7 | Confident | 103 Ų | 103 | 83.8 Ų | 83.8 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70 | -31.6 | 179.1 | -71 | 110.7 | 0 | 0 | 0 | 113.6 | N9 K10 R11 M16 R17 F31 | N9-W13 PolarHBondContact O-N 3.31Å; N9-W13 VanDerWaalsContact O-N 3.09Å; N9-W13 PolarHBondContact OD1-NE1 3.33Å; K10-W13 PolarHBondContact O-N 2.83Å; R11-W13 VanDerWaalsContact C-N 3.34Å; R11-W13 PolarHBondContact O-N 2.89Å; W13-M16 HydrophobicContact CE3-CB 4.49Å; W13-R17 WeakPolarHBondContact O-CG 3.38Å; W13-R17 PolarHBondContact O-N 3.34Å; W13-R17 VanDerWaalsContact O-N 3.16Å; W13-F31 HydrophobicContact CH2-CE2 4.33Å |
| 14 | Q | 82.6 | Confident | 73.5 | Confident | 118 Ų | 118 | 82.2 Ų | 82.2 | 55% | 0.551 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.4 | -48 | 173.3 | -74.8 | 172 | -18.4 | 0 | 0 | 111.3 | K10 R11 F12 M16 R17 L18 | K10-Q14 VanDerWaalsContact O-CG 3.31Å; K10-Q14 WeakPolarHBondContact O-CG 2.85Å; K10-Q14 PolarHBondContact O-N 3.03Å; R11-Q14 WeakPolarHBondContact O-CB 3.48Å; R11-Q14 PolarHBondContact O-N 2.88Å; R11-Q14 VanDerWaalsContact O-N 3.13Å; F12-Q14 PolarHBondContact O-N 3.19Å; Q14-M16 PolarHBondContact O-N 2.56Å; Q14-R17 PolarHBondContact O-N 3.13Å; Q14-R17 VanDerWaalsContact O-N 3.16Å; Q14-L18 PolarHBondContact O-N 3.26Å |
| 15 | T | 77.9 | Confident | 72.9 | Confident | 28 Ų | 28 | 84.4 Ų | 84.4 | 17% | 0.172 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 178 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | R11 F12 R17 L18 S19 I67 I68 | R11-T15 PolarHBondContact O-N 3.49Å; R11-T15 PolarHBondContact O-OG1 3.29Å; F12-T15 PolarHBondContact O-N 3.3Å; T15-R17 VanDerWaalsContact C-N 3.26Å; T15-R17 PolarHBondContact O-N 3.47Å; T15-L18 PolarHBondContact O-N 2.92Å; T15-S19 PolarHBondContact O-OG 2.87Å; T15-I67 HydrophobicContact CG2-CB 4.47Å; T15-I67 HydrophobicContact CG2-CG2 3.53Å; T15-I68 HydrophobicContact CG2-CG1 4.12Å |
| 16 | M | 68.2 | Low | 72.3 | Confident | 6 Ų | 6 | 84.2 Ų | 84.2 | 3% | 0.03 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56.4 | -37 | 173.1 | -80.8 | -66.8 | -67.6 | 0 | 0 | 113.4 | F12 W13 Q14 S19 T26 Q27 L30 I67 | F12-M16 HydrophobicContact CD1-CG 4.35Å; F12-M16 HydrophobicContact CE1-CG 4.01Å; F12-M16 HydrophobicContact CZ-CG 4.21Å; F12-M16 WeakPolarHBondContact O-CB 3.35Å; F12-M16 VanDerWaalsContact O-CG 3.3Å; F12-M16 WeakPolarHBondContact O-CG 3.33Å; F12-M16 PolarHBondContact O-N 2.73Å; W13-M16 HydrophobicContact CE3-CB 4.49Å; Q14-M16 PolarHBondContact O-N 2.56Å; M16-S19 PolarHBondContact O-N 2.99Å; M16-T26 HydrophobicContact CE-CG2 3.81Å; M16-T26 HydrophobicContact SD-CG2 3.27Å; M16-T26 WeakPolarHBondContact SD-CG2 3.25Å; M16-Q27 HydrophobicContact CE-CG 4.16Å; M16-L30 HydrophobicContact SD-CD1 4.47Å; M16-I67 HydrophobicContact CG-CD1 3.77Å; M16-I67 HydrophobicContact SD-CD1 3.61Å; M16-I67 HydrophobicContact SD-CG1 4.2Å |
| 17 | R | 72.2 | Confident | 71.8 | Confident | 190 Ų | 190 | 82.1 Ų | 82.1 | 72% | 0.717 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.6 | -28.2 | -179.4 | -81 | -179.5 | -171.6 | -177.9 | 3.2 | 113.3 | W13 Q14 T15 S19 K20 | W13-R17 WeakPolarHBondContact O-CG 3.38Å; W13-R17 PolarHBondContact O-N 3.34Å; W13-R17 VanDerWaalsContact O-N 3.16Å; Q14-R17 PolarHBondContact O-N 3.13Å; Q14-R17 VanDerWaalsContact O-N 3.16Å; T15-R17 VanDerWaalsContact C-N 3.26Å; T15-R17 PolarHBondContact O-N 3.47Å; R17-S19 VanDerWaalsContact C-N 3.26Å; R17-K20 WeakPolarHBondContact O-CG 3.41Å |
| 18 | L | 67.4 | Low | 70.8 | Confident | 146 Ų | 146 | 83.3 Ų | 83.3 | 76% | 0.764 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.7 | -25.6 | 178.5 | -66.9 | 172.2 | 0 | 0 | 0 | 111.5 | Q14 T15 K20 | Q14-L18 PolarHBondContact O-N 3.26Å; T15-L18 PolarHBondContact O-N 2.92Å; L18-K20 PolarHBondContact O-N 3.06Å |
| 19 | S | 64.5 | Low | 69.7 | Low | 6 Ų | 6 | 86.9 Ų | 86.9 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | trans | -72.6 | 36 | 176.7 | -43 | 0 | 0 | 0 | 0 | 114.5 | T15 M16 R17 S21 Y22 W23 N71 | T15-S19 PolarHBondContact O-OG 2.87Å; M16-S19 PolarHBondContact O-N 2.99Å; R17-S19 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.08Å; S19-Y22 CarbonylContact O-C 3.57Å; S19-Y22 PolarHBondContact O-N 3.43Å; S19-W23 PolarHBondContact O-N 3.39Å; S19-N71 WeakPolarHBondContact CB-OD1 3.27Å; S19-N71 VanDerWaalsContact OG-CG 3.24Å; S19-N71 PolarHBondContact OG-ND2 3.43Å; S19-N71 PolarHBondContact OG-OD1 3.44Å | ||
| 20 | K | 57.8 | Low | 68.9 | Low | 178 Ų | 178 | 85.4 Ų | 85.4 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -37 | -170 | -72.3 | -171.8 | 179.4 | 176.7 | 0 | 114.2 | R17 L18 Y22 | R17-K20 WeakPolarHBondContact O-CG 3.41Å; L18-K20 PolarHBondContact O-N 3.06Å; K20-Y22 VanDerWaalsContact C-N 3.3Å; K20-Y22 PolarHBondContact O-N 3.35Å |
| 21 | S | 59.7 | Low | 68 | Low | 105 Ų | 105 | 84.2 Ų | 84.2 | 73% | 0.734 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -15.5 | -178.3 | -38.1 | 0 | 0 | 0 | 0 | 113.9 | S19 | S19-S21 PolarHBondContact O-N 3.08Š|
| 22 | Y | 65.4 | Low | 67 | Low | 85 Ų | 85 | 83.4 Ų | 83.4 | 33% | 0.333 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 6.4 | -174.3 | -53.5 | -76 | 0 | 0 | 0 | 112.7 | S19 K20 L24 I25 T26 I74 | S19-Y22 CarbonylContact O-C 3.57Å; S19-Y22 PolarHBondContact O-N 3.43Å; K20-Y22 VanDerWaalsContact C-N 3.3Å; K20-Y22 PolarHBondContact O-N 3.35Å; Y22-L24 PolarHBondContact O-N 3.46Å; Y22-I25 PolarHBondContact O-N 2.88Å; Y22-T26 PolarHBondContact O-N 3.46Å; Y22-T26 PolarHBondContact O-OG1 3.05Å; Y22-I74 HydrophobicContact CD1-CD1 3.99Å; Y22-I74 HydrophobicContact CD1-CG2 4.04Å; Y22-I74 HydrophobicContact CD2-CB 4.41Å; Y22-I74 HydrophobicContact CD2-CD1 3.77Å; Y22-I74 HydrophobicContact CD2-CG2 3.55Å; Y22-I74 HydrophobicContact CE1-CG2 3.58Å; Y22-I74 HydrophobicContact CE2-CB 4.26Å; Y22-I74 HydrophobicContact CE2-CD1 4.39Å; Y22-I74 HydrophobicContact CE2-CG2 3.04Å; Y22-I74 HydrophobicContact CG-CD1 3.55Å; Y22-I74 HydrophobicContact CG-CG2 4.02Å; Y22-I74 VanDerWaalsContact OH-CG2 3.31Å; Y22-I74 WeakPolarHBondContact OH-CG2 3.39Å |
| 23 | W | 64.7 | Low | 66 | Low | 126 Ų | 126 | 85.3 Ų | 85.3 | 48% | 0.477 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -47.3 | -40.8 | -174.9 | -175.9 | 85.3 | 0 | 0 | 0 | 112.7 | S19 Q27 | S19-W23 PolarHBondContact O-N 3.39Å; W23-Q27 HydrophobicContact CD2-CG 3.91Å; W23-Q27 HydrophobicContact CE3-CG 4.08Å; W23-Q27 HydrophobicContact CG-CG 4.48Å; W23-Q27 HydrophobicContact CH2-CG 4.17Å; W23-Q27 HydrophobicContact CZ2-CG 3.99Å; W23-Q27 VanDerWaalsContact CZ2-NE2 3.26Å; W23-Q27 HydrophobicContact CZ3-CG 4.21Å; W23-Q27 VanDerWaalsContact O-CB 3.23Å; W23-Q27 WeakPolarHBondContact O-CB 3.42Å; W23-Q27 WeakPolarHBondContact O-CG 3.49Å; W23-Q27 PolarHBondContact O-N 2.87Å |
| 24 | L | 67.3 | Low | 65.6 | Low | 115 Ų | 115 | 80.9 Ų | 80.9 | 60% | 0.602 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68 | -43.4 | 178 | -166.6 | 73.7 | 0 | 0 | 0 | 113.1 | Y22 Q27 I28 | Y22-L24 PolarHBondContact O-N 3.46Å; L24-Q27 PolarHBondContact O-N 3.28Å; L24-I28 HydrophobicContact CG-CD1 4.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.3Å |
| 25 | I | 64.9 | Low | 64.6 | Low | 89 Ų | 89 | 79.7 Ų | 79.7 | 46% | 0.456 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 177.7 | -64.2 | 171.1 | 0 | 0 | 0 | 109.5 | Y22 Q27 I28 T29 F70 | Y22-I25 PolarHBondContact O-N 2.88Å; I25-Q27 VanDerWaalsContact C-N 3.33Å; I25-Q27 PolarHBondContact O-N 3.16Å; I25-I28 PolarHBondContact O-N 3.5Å; I25-T29 WeakPolarHBondContact O-CB 3.27Å; I25-T29 PolarHBondContact O-N 2.96Å; I25-T29 PolarHBondContact O-OG1 3.16Å; I25-F70 HydrophobicContact CG2-CZ 3.77Å |
| 26 | T | 63.8 | Low | 64.1 | Low | 1 Ų | 1 | 88.3 Ų | 88.3 | 1% | 0.006 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 176.2 | -43.9 | 0 | 0 | 0 | 0 | 111.2 | M16 Y22 L30 I67 F70 | M16-T26 HydrophobicContact CE-CG2 3.81Å; M16-T26 HydrophobicContact SD-CG2 3.27Å; M16-T26 WeakPolarHBondContact SD-CG2 3.25Å; Y22-T26 PolarHBondContact O-N 3.46Å; Y22-T26 PolarHBondContact O-OG1 3.05Å; T26-L30 HydrophobicContact CG2-CD1 3.68Å; T26-L30 VanDerWaalsContact O-CB 3.27Å; T26-L30 WeakPolarHBondContact O-CB 3.3Å; T26-L30 WeakPolarHBondContact O-CG 3.14Å; T26-L30 PolarHBondContact O-N 3.35Å; T26-L30 VanDerWaalsContact O-N 3.13Å; T26-I67 HydrophobicContact CG2-CG1 4.46Å; T26-F70 HydrophobicContact CG2-CD1 4.4Å; T26-F70 HydrophobicContact CG2-CE1 4.49Å; T26-F70 WeakPolarHBondContact OG1-CE1 3.34Å |
| 27 | Q | 62.8 | Low | 63.8 | Low | 30 Ų | 30 | 90.3 Ų | 90.3 | 14% | 0.14 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.3 | -52.4 | 172.2 | -74.9 | -93.6 | -21.5 | 0 | 0 | 111.4 | M16 W23 L24 I25 T29 L30 F31 | M16-Q27 HydrophobicContact CE-CG 4.16Å; W23-Q27 HydrophobicContact CD2-CG 3.91Å; W23-Q27 HydrophobicContact CE3-CG 4.08Å; W23-Q27 HydrophobicContact CG-CG 4.48Å; W23-Q27 HydrophobicContact CH2-CG 4.17Å; W23-Q27 HydrophobicContact CZ2-CG 3.99Å; W23-Q27 VanDerWaalsContact CZ2-NE2 3.26Å; W23-Q27 HydrophobicContact CZ3-CG 4.21Å; W23-Q27 VanDerWaalsContact O-CB 3.23Å; W23-Q27 WeakPolarHBondContact O-CB 3.42Å; W23-Q27 WeakPolarHBondContact O-CG 3.49Å; W23-Q27 PolarHBondContact O-N 2.87Å; L24-Q27 PolarHBondContact O-N 3.28Å; I25-Q27 VanDerWaalsContact C-N 3.33Å; I25-Q27 PolarHBondContact O-N 3.16Å; Q27-T29 VanDerWaalsContact C-N 3.3Å; Q27-T29 PolarHBondContact O-N 3.2Å; Q27-L30 PolarHBondContact O-N 3.27Å; Q27-F31 WeakPolarHBondContact O-CA 3.32Å; Q27-F31 WeakPolarHBondContact O-CB 3.26Å; Q27-F31 PolarHBondContact O-N 3.45Å |
| 28 | I | 64.7 | Low | 63.5 | Low | 105 Ų | 105 | 85 Ų | 85 | 54% | 0.538 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | -176.8 | -68.1 | 165.5 | 0 | 0 | 0 | 111.4 | L24 I25 L30 | L24-I28 HydrophobicContact CG-CD1 4.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.3Å; I25-I28 PolarHBondContact O-N 3.5Å; I28-L30 VanDerWaalsContact C-N 3.35Å; I28-L30 PolarHBondContact O-N 3.48Å |
| 29 | T | 61.6 | Low | 63.5 | Low | 84 Ų | 84 | 84.6 Ų | 84.6 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.8 | -28.2 | -174.3 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | I25 Q27 | I25-T29 WeakPolarHBondContact O-CB 3.27Å; I25-T29 PolarHBondContact O-N 2.96Å; I25-T29 PolarHBondContact O-OG1 3.16Å; Q27-T29 VanDerWaalsContact C-N 3.3Å; Q27-T29 PolarHBondContact O-N 3.2Å |
| 30 | L | 61.9 | Low | 63.6 | Low | 18 Ų | 18 | 89.8 Ų | 89.8 | 9% | 0.094 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -116.7 | -29.6 | -171.4 | -56.8 | 170.9 | 0 | 0 | 0 | 113.9 | M16 T26 Q27 I28 P33 S34 Y63 I67 | M16-L30 HydrophobicContact SD-CD1 4.47Å; T26-L30 HydrophobicContact CG2-CD1 3.68Å; T26-L30 VanDerWaalsContact O-CB 3.27Å; T26-L30 WeakPolarHBondContact O-CB 3.3Å; T26-L30 WeakPolarHBondContact O-CG 3.14Å; T26-L30 PolarHBondContact O-N 3.35Å; T26-L30 VanDerWaalsContact O-N 3.13Å; Q27-L30 PolarHBondContact O-N 3.27Å; I28-L30 VanDerWaalsContact C-N 3.35Å; I28-L30 PolarHBondContact O-N 3.48Å; L30-P33 WeakPolarHBondContact O-CD 3.44Å; L30-S34 WeakPolarHBondContact O-CB 3.33Å; L30-S34 PolarHBondContact O-N 3.18Å; L30-S34 PolarHBondContact O-OG 2.97Å; L30-Y63 HydrophobicContact CB-CD1 4.49Å; L30-Y63 HydrophobicContact CD2-CD1 3.79Å; L30-Y63 HydrophobicContact CD2-CE1 3.95Å; L30-I67 HydrophobicContact CD1-CD1 3.81Å; L30-I67 HydrophobicContact CD1-CG1 3.21Å |
| 31 | F | 62.1 | Low | 63.6 | Low | 90 Ų | 90 | 82.1 Ų | 82.1 | 40% | 0.395 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.7 | -38.6 | -176.3 | -159.9 | -101.1 | 0 | 0 | 0 | 112.4 | W13 Q27 S34 L35 | W13-F31 HydrophobicContact CH2-CE2 4.33Å; Q27-F31 WeakPolarHBondContact O-CA 3.32Å; Q27-F31 WeakPolarHBondContact O-CB 3.26Å; Q27-F31 PolarHBondContact O-N 3.45Å; F31-S34 WeakPolarHBondContact O-CB 3.26Å; F31-S34 PolarHBondContact O-N 3.35Å; F31-L35 HydrophobicContact CD1-CD1 3.52Å; F31-L35 HydrophobicContact CD1-CG 4.36Å; F31-L35 HydrophobicContact CE1-CD1 3.36Å; F31-L35 HydrophobicContact CE1-CG 4.18Å; F31-L35 HydrophobicContact CZ-CD1 4.31Å; F31-L35 WeakPolarHBondContact O-CB 3.29Å; F31-L35 PolarHBondContact O-N 2.94Å |
| 32 | L | 62.1 | Low | 63.8 | Low | 121 Ų | 121 | 82.9 Ų | 82.9 | 63% | 0.634 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.5 | -49.2 | 175.9 | -99.2 | 142.3 | 0 | 0 | 0 | 112.5 | R36 | L32-R36 PolarHBondContact O-N 2.87Å |
| 33 | P | 60.2 | Low | 63.6 | Low | 47 Ų | 47 | 82.3 Ų | 82.3 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 171.4 | -24 | 32.7 | 0 | 0 | 0 | 113.5 | L30 R36 L37 Y63 | L30-P33 WeakPolarHBondContact O-CD 3.44Å; P33-R36 PolarHBondContact O-N 3.34Å; P33-L37 WeakPolarHBondContact O-CB 3.47Å; P33-L37 PolarHBondContact O-N 3.36Å; P33-Y63 HydrophobicContact CB-CE1 4.06Å; P33-Y63 WeakPolarHBondContact CB-OH 3.5Å |
| 34 | S | 65.2 | Low | 63.2 | Low | 10 Ų | 10 | 78 Ų | 78 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 177.9 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | L30 F31 L37 I38 W59 | L30-S34 WeakPolarHBondContact O-CB 3.33Å; L30-S34 PolarHBondContact O-N 3.18Å; L30-S34 PolarHBondContact O-OG 2.97Å; F31-S34 WeakPolarHBondContact O-CB 3.26Å; F31-S34 PolarHBondContact O-N 3.35Å; S34-L37 PolarHBondContact O-N 2.76Å; S34-I38 WeakPolarHBondContact O-CB 3.37Å; S34-I38 VanDerWaalsContact O-CG1 3.26Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 3.02Å; S34-W59 VanDerWaalsContact OG-CZ2 3.29Å; S34-W59 WeakPolarHBondContact OG-CZ2 3.45Å |
| 35 | L | 62.7 | Low | 62.6 | Low | 93 Ų | 93 | 77.7 Ų | 77.7 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 179.3 | -98.1 | 162.7 | 0 | 0 | 0 | 111.9 | F31 L37 I38 H39 | F31-L35 HydrophobicContact CD1-CD1 3.52Å; F31-L35 HydrophobicContact CD1-CG 4.36Å; F31-L35 HydrophobicContact CE1-CD1 3.36Å; F31-L35 HydrophobicContact CE1-CG 4.18Å; F31-L35 HydrophobicContact CZ-CD1 4.31Å; F31-L35 WeakPolarHBondContact O-CB 3.29Å; F31-L35 PolarHBondContact O-N 2.94Å; L35-L37 PolarHBondContact O-N 3.36Å; L35-I38 PolarHBondContact O-N 3.06Å; L35-H39 WeakPolarHBondContact O-CB 3.18Å; L35-H39 PolarHBondContact O-N 3.43Å |
| 36 | R | 67.6 | Low | 62.2 | Low | 209 Ų | 209 | 83.2 Ų | 83.2 | 79% | 0.789 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.8 | -36.4 | 179 | -175.7 | 171.8 | -97.6 | 175.1 | -6.8 | 111.1 | L32 P33 H40 | L32-R36 PolarHBondContact O-N 2.87Å; P33-R36 PolarHBondContact O-N 3.34Å; R36-H40 WeakPolarHBondContact O-CB 3.27Å; R36-H40 PolarHBondContact O-N 2.89Å |
| 37 | L | 62 | Low | 61.9 | Low | 49 Ų | 49 | 92.6 Ų | 92.6 | 26% | 0.257 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.3 | -40.1 | 177.7 | -162.6 | 77.4 | 0 | 0 | 0 | 113.3 | P33 S34 L35 H39 H40 M41 W59 | P33-L37 WeakPolarHBondContact O-CB 3.47Å; P33-L37 PolarHBondContact O-N 3.36Å; S34-L37 PolarHBondContact O-N 2.76Å; L35-L37 PolarHBondContact O-N 3.36Å; L37-H39 PolarHBondContact O-N 3.35Å; L37-H40 PolarHBondContact O-N 3.49Å; L37-M41 HydrophobicContact CD1-CE 4.34Å; L37-M41 HydrophobicContact CD2-CE 3.82Å; L37-M41 HydrophobicContact CD2-SD 4.39Å; L37-M41 HydrophobicContact CG-CE 4.01Å; L37-M41 HydrophobicContact CG-CG 4.18Å; L37-M41 HydrophobicContact CG-SD 4.34Å; L37-M41 WeakPolarHBondContact O-CB 3.39Å; L37-M41 VanDerWaalsContact O-CG 3.26Å; L37-M41 WeakPolarHBondContact O-CG 3.47Å; L37-M41 PolarHBondContact O-N 2.67Å; L37-W59 HydrophobicContact CD2-CB 3.76Å; L37-W59 HydrophobicContact CD2-CD2 3.86Å; L37-W59 HydrophobicContact CD2-CG 3.19Å |
| 38 | I | 65.5 | Low | 62.1 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 40% | 0.395 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58 | -42.4 | 172.8 | -70.9 | 165 | 0 | 0 | 0 | 109.7 | S34 L35 M41 Q42 | S34-I38 WeakPolarHBondContact O-CB 3.37Å; S34-I38 VanDerWaalsContact O-CG1 3.26Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 3.02Å; L35-I38 PolarHBondContact O-N 3.06Å; I38-M41 PolarHBondContact O-N 2.92Å; I38-Q42 HydrophobicContact CG2-CG 4.49Å; I38-Q42 WeakPolarHBondContact O-CB 3.38Å; I38-Q42 WeakPolarHBondContact O-CG 3.34Å; I38-Q42 PolarHBondContact O-N 2.84Å |
| 39 | H | 67.6 | Low | 62.2 | Low | 138 Ų | 138 | 96.4 Ų | 96.4 | 64% | 0.639 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.7 | -40.5 | 177.3 | -151.7 | -70.1 | 0 | 0 | 0 | 112.3 | L35 L37 M41 S43 | L35-H39 WeakPolarHBondContact O-CB 3.18Å; L35-H39 PolarHBondContact O-N 3.43Å; L37-H39 PolarHBondContact O-N 3.35Å; H39-M41 VanDerWaalsContact C-N 3.35Å; H39-S43 PolarHBondContact O-N 3Å |
| 40 | H | 65.2 | Low | 62.5 | Low | 116 Ų | 116 | 100.1 Ų | 100.1 | 54% | 0.537 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 173.4 | -177.8 | 57.7 | 0 | 0 | 0 | 111.1 | R36 L37 S43 V44 | R36-H40 WeakPolarHBondContact O-CB 3.27Å; R36-H40 PolarHBondContact O-N 2.89Å; L37-H40 PolarHBondContact O-N 3.49Å; H40-S43 WeakPolarHBondContact O-CB 3.18Å; H40-S43 PolarHBondContact O-N 3.31Å; H40-S43 PolarHBondContact O-OG 2.86Å; H40-V44 PolarHBondContact O-N 2.98Å |
| 41 | M | 58.7 | Low | 63 | Low | 17 Ų | 17 | 104.7 Ų | 104.7 | 8% | 0.084 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -75.2 | -27.8 | -177.7 | -69.9 | -165.7 | 167 | 0 | 0 | 114 | L37 I38 H39 S43 V44 Y45 F52 H55 Y56 | L37-M41 HydrophobicContact CD1-CE 4.34Å; L37-M41 HydrophobicContact CD2-CE 3.82Å; L37-M41 HydrophobicContact CD2-SD 4.39Å; L37-M41 HydrophobicContact CG-CE 4.01Å; L37-M41 HydrophobicContact CG-CG 4.18Å; L37-M41 HydrophobicContact CG-SD 4.34Å; L37-M41 WeakPolarHBondContact O-CB 3.39Å; L37-M41 VanDerWaalsContact O-CG 3.26Å; L37-M41 WeakPolarHBondContact O-CG 3.47Å; L37-M41 PolarHBondContact O-N 2.67Å; I38-M41 PolarHBondContact O-N 2.92Å; H39-M41 VanDerWaalsContact C-N 3.35Å; M41-S43 PolarHBondContact O-N 3.31Å; M41-V44 PolarHBondContact O-N 3.48Å; M41-V44 VanDerWaalsContact O-N 3.09Å; M41-Y45 PolarHBondContact O-N 3.2Å; M41-F52 HydrophobicContact CB-CD2 3.67Å; M41-F52 HydrophobicContact CB-CE2 3.43Å; M41-F52 VanDerWaalsContact CB-CE2 3.43Å; M41-F52 HydrophobicContact CG-CD2 4.26Å; M41-F52 HydrophobicContact CG-CE2 4.19Å; M41-F52 HydrophobicContact SD-CD2 4.09Å; M41-F52 HydrophobicContact SD-CE2 3.86Å; M41-H55 HydrophobicContact CE-CB 3.62Å; M41-Y56 HydrophobicContact SD-CD2 4.4Å |
| 42 | Q | 62.7 | Low | 63.7 | Low | 121 Ų | 121 | 102.4 Ų | 102.4 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.8 | -33.4 | 168.3 | -81.2 | 177.3 | -30.6 | 0 | 0 | 112 | I38 V44 | I38-Q42 HydrophobicContact CG2-CG 4.49Å; I38-Q42 WeakPolarHBondContact O-CB 3.38Å; I38-Q42 WeakPolarHBondContact O-CG 3.34Å; I38-Q42 PolarHBondContact O-N 2.84Å; Q42-V44 VanDerWaalsContact C-N 3.3Å |
| 43 | S | 62.5 | Low | 64.3 | Low | 72 Ų | 72 | 98 Ų | 98 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.3 | -27.5 | 173.8 | 76.8 | 0 | 0 | 0 | 0 | 113.1 | H39 H40 M41 | H39-S43 PolarHBondContact O-N 3Å; H40-S43 WeakPolarHBondContact O-CB 3.18Å; H40-S43 PolarHBondContact O-N 3.31Å; H40-S43 PolarHBondContact O-OG 2.86Å; M41-S43 PolarHBondContact O-N 3.31Å |
| 44 | V | 57 | Low | 65.4 | Low | 37 Ų | 37 | 98 Ų | 98 | 22% | 0.224 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -85.6 | -30.1 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | H40 M41 Q42 Y46 Y47 E48 Y51 | H40-V44 PolarHBondContact O-N 2.98Å; M41-V44 PolarHBondContact O-N 3.48Å; M41-V44 VanDerWaalsContact O-N 3.09Å; Q42-V44 VanDerWaalsContact C-N 3.3Å; V44-Y46 PolarHBondContact O-N 3.36Å; V44-Y47 PolarHBondContact O-N 3.35Å; V44-E48 PolarHBondContact O-N 3.34Å; V44-Y51 HydrophobicContact CG1-CD1 3.94Å; V44-Y51 HydrophobicContact CG1-CE1 4.21Å |
| 45 | Y | 54.6 | Low | 66.1 | Low | 107 Ų | 107 | 100.5 Ų | 100.5 | 42% | 0.42 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -53 | -28.8 | 177.5 | -173 | -94 | 0 | 0 | 0 | 113.3 | M41 Y47 H49 F52 | M41-Y45 PolarHBondContact O-N 3.2Å; Y45-Y47 PolarHBondContact O-N 3.34Å; Y45-H49 AromaticContact CE1-NE2 3.48Å; Y45-H49 WeakPolarHBondContact CE1-NE2 3.47Å; Y45-H49 AromaticContact CE2-CE1 3.16Å; Y45-H49 WeakPolarHBondContact CE2-CE1 3.31Å; Y45-H49 AromaticContact CE2-ND1 3.73Å; Y45-H49 AromaticContact CE2-NE2 3.45Å; Y45-H49 WeakPolarHBondContact CE2-NE2 3.32Å; Y45-H49 AromaticContact CZ-CE1 3.12Å; Y45-H49 AromaticContact CZ-NE2 3.02Å; Y45-H49 PolarHBondContact OH-CE1 3.01Å; Y45-H49 PolarHBondContact OH-NE2 3.09Å; Y45-H49 VanDerWaalsContact OH-NE2 3.1Å; Y45-F52 AromaticContact CD2-CD1 3.55Å; Y45-F52 HydrophobicContact CD2-CD1 3.55Å; Y45-F52 AromaticContact CD2-CE1 3.72Å; Y45-F52 HydrophobicContact CD2-CE1 3.72Å; Y45-F52 HydrophobicContact CD2-CG 4.04Å; Y45-F52 HydrophobicContact CD2-CZ 4.36Å; Y45-F52 HydrophobicContact CE2-CD1 4.07Å; Y45-F52 HydrophobicContact CE2-CE1 4.05Å |
| 46 | Y | 56.3 | Low | 66.8 | Low | 205 Ų | 205 | 98 Ų | 98 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -15.9 | 178 | -111.7 | -85.7 | 0 | 0 | 0 | 114.5 | V44 | V44-Y46 PolarHBondContact O-N 3.36Š|
| 47 | Y | 57.7 | Low | 67.6 | Low | 198 Ų | 198 | 90 Ų | 90 | 78% | 0.776 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -41.5 | -172 | -72.2 | -83.9 | 0 | 0 | 0 | 113.5 | V44 Y45 | V44-Y47 PolarHBondContact O-N 3.35Å; Y45-Y47 PolarHBondContact O-N 3.34Å |
| 48 | E | 65.3 | Low | 68.6 | Low | 117 Ų | 117 | 93 Ų | 93 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | trans | -148.8 | 95.9 | -175.4 | -66.2 | -173.8 | 170.2 | 0 | 0 | 112.9 | V44 E50 Y51 F52 | V44-E48 PolarHBondContact O-N 3.34Å; E48-E50 PolarHBondContact O-N 3.49Å; E48-Y51 PolarHBondContact O-N 2.84Å; E48-F52 PolarHBondContact O-N 3.42Å; E48-F52 VanDerWaalsContact O-N 3.1Å | ||
| 49 | H | 67.5 | Low | 69.4 | Low | 98 Ų | 98 | 90.7 Ų | 90.7 | 45% | 0.454 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | -174.2 | -123.9 | -81.9 | 0 | 0 | 0 | 114.1 | Y45 I53 | Y45-H49 AromaticContact CE1-NE2 3.48Å; Y45-H49 WeakPolarHBondContact CE1-NE2 3.47Å; Y45-H49 AromaticContact CE2-CE1 3.16Å; Y45-H49 WeakPolarHBondContact CE2-CE1 3.31Å; Y45-H49 AromaticContact CE2-ND1 3.73Å; Y45-H49 AromaticContact CE2-NE2 3.45Å; Y45-H49 WeakPolarHBondContact CE2-NE2 3.32Å; Y45-H49 AromaticContact CZ-CE1 3.12Å; Y45-H49 AromaticContact CZ-NE2 3.02Å; Y45-H49 PolarHBondContact OH-CE1 3.01Å; Y45-H49 PolarHBondContact OH-NE2 3.09Å; Y45-H49 VanDerWaalsContact OH-NE2 3.1Å; H49-I53 WeakPolarHBondContact O-CG1 3.4Å; H49-I53 PolarHBondContact O-N 2.86Å |
| 50 | E | 67.4 | Low | 70.2 | Confident | 163 Ų | 163 | 84.1 Ų | 84.1 | 76% | 0.762 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.1 | -41.2 | 179.9 | -67.7 | -170 | 158.7 | 0 | 0 | 112 | M1 E48 F52 I53 D54 | M1-E50 WeakPolarHBondContact CE-O 3.45Å; E48-E50 PolarHBondContact O-N 3.49Å; E50-F52 VanDerWaalsContact C-N 3.31Å; E50-F52 PolarHBondContact O-N 3.09Å; E50-I53 PolarHBondContact O-N 3.4Å; E50-D54 PolarHBondContact O-N 3.42Å |
| 51 | Y | 73.7 | Confident | 71.2 | Confident | 114 Ų | 114 | 81.9 Ų | 81.9 | 45% | 0.447 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 175.8 | 179.7 | -94.7 | 0 | 0 | 0 | 111.8 | V44 E48 I53 D54 H55 | V44-Y51 HydrophobicContact CG1-CD1 3.94Å; V44-Y51 HydrophobicContact CG1-CE1 4.21Å; E48-Y51 PolarHBondContact O-N 2.84Å; Y51-I53 PolarHBondContact O-N 2.84Å; Y51-D54 PolarHBondContact O-N 3.48Å; Y51-H55 AromaticContact CD1-ND1 3.95Å; Y51-H55 AromaticContact CD2-CE1 3.87Å; Y51-H55 AromaticContact CD2-ND1 3.8Å; Y51-H55 AromaticContact CE1-CE1 3.84Å; Y51-H55 AromaticContact CE1-ND1 3.61Å; Y51-H55 AromaticContact CE2-CE1 3.13Å; Y51-H55 WeakPolarHBondContact CE2-CE1 3.47Å; Y51-H55 AromaticContact CE2-ND1 3.46Å; Y51-H55 WeakPolarHBondContact CE2-ND1 3.49Å; Y51-H55 AromaticContact CZ-CE1 3.1Å; Y51-H55 AromaticContact CZ-ND1 3.36Å; Y51-H55 AromaticContact CZ-NE2 3.67Å; Y51-H55 PolarHBondContact O-N 3.36Å; Y51-H55 PolarHBondContact O-ND1 3.13Å; Y51-H55 PolarHBondContact OH-CE1 2.99Å; Y51-H55 PolarHBondContact OH-NE2 3.01Å |
| 52 | F | 75.4 | Confident | 72.4 | Confident | 41 Ų | 41 | 86 Ų | 86 | 18% | 0.18 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 176.1 | 165.7 | -106.4 | 0 | 0 | 0 | 112 | M41 Y45 E48 E50 D54 H55 Y56 | M41-F52 HydrophobicContact CB-CD2 3.67Å; M41-F52 HydrophobicContact CB-CE2 3.43Å; M41-F52 VanDerWaalsContact CB-CE2 3.43Å; M41-F52 HydrophobicContact CG-CD2 4.26Å; M41-F52 HydrophobicContact CG-CE2 4.19Å; M41-F52 HydrophobicContact SD-CD2 4.09Å; M41-F52 HydrophobicContact SD-CE2 3.86Å; Y45-F52 AromaticContact CD2-CD1 3.55Å; Y45-F52 HydrophobicContact CD2-CD1 3.55Å; Y45-F52 AromaticContact CD2-CE1 3.72Å; Y45-F52 HydrophobicContact CD2-CE1 3.72Å; Y45-F52 HydrophobicContact CD2-CG 4.04Å; Y45-F52 HydrophobicContact CD2-CZ 4.36Å; Y45-F52 HydrophobicContact CE2-CD1 4.07Å; Y45-F52 HydrophobicContact CE2-CE1 4.05Å; E48-F52 PolarHBondContact O-N 3.42Å; E48-F52 VanDerWaalsContact O-N 3.1Å; E50-F52 VanDerWaalsContact C-N 3.31Å; E50-F52 PolarHBondContact O-N 3.09Å; F52-D54 VanDerWaalsContact C-N 3.33Å; F52-D54 PolarHBondContact O-N 3.19Å; F52-H55 PolarHBondContact O-N 2.99Å; F52-Y56 VanDerWaalsContact O-CB 3.23Å; F52-Y56 WeakPolarHBondContact O-CB 3.43Å; F52-Y56 PolarHBondContact O-N 3.25Å |
| 53 | I | 76.5 | Confident | 73.2 | Confident | 28 Ų | 28 | 82.1 Ų | 82.1 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.7 | -37.7 | -176.1 | -64.9 | 174.7 | 0 | 0 | 0 | 110.8 | M1 V2 S5 H49 E50 Y51 H57 | M1-I53 HydrophobicContact CB-CG2 4.16Å; M1-I53 HydrophobicContact CE-CB 4.15Å; M1-I53 HydrophobicContact CE-CG2 4.13Å; M1-I53 HydrophobicContact CG-CG2 4.04Å; V2-I53 HydrophobicContact CG2-CD1 3.69Å; V2-I53 HydrophobicContact CG2-CG2 4.3Å; S5-I53 PolarHBondContact OG-O 2.87Å; H49-I53 WeakPolarHBondContact O-CG1 3.4Å; H49-I53 PolarHBondContact O-N 2.86Å; E50-I53 PolarHBondContact O-N 3.4Å; Y51-I53 PolarHBondContact O-N 2.84Å; I53-H57 WeakPolarHBondContact O-CB 3.45Å; I53-H57 PolarHBondContact O-N 3.32Å |
| 54 | D | 82.5 | Confident | 74.2 | Confident | 47 Ų | 47 | 79.9 Ų | 79.9 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 175.6 | -173.3 | 53.3 | 0 | 0 | 0 | 111.9 | M1 E50 Y51 F52 Y56 H57 K58 | M1-D54 HydrophobicContact CE-CB 3.62Å; M1-D54 VanDerWaalsContact SD-CA 3.59Å; M1-D54 HydrophobicContact SD-CB 3.53Å; M1-D54 VanDerWaalsContact SD-CB 3.53Å; M1-D54 VanDerWaalsContact SD-OD1 3.4Å; E50-D54 PolarHBondContact O-N 3.42Å; Y51-D54 PolarHBondContact O-N 3.48Å; F52-D54 VanDerWaalsContact C-N 3.33Å; F52-D54 PolarHBondContact O-N 3.19Å; D54-Y56 PolarHBondContact O-N 3.46Å; D54-H57 WeakPolarHBondContact O-CB 3.46Å; D54-H57 PolarHBondContact O-N 2.6Å; D54-K58 WeakPolarHBondContact O-CG 3.24Å; D54-K58 PolarHBondContact O-N 3.17Å; D54-K58 WeakPolarHBondContact OD2-CE 3.38Å; D54-K58 IonicContact OD2-NZ 3.85Å; D54-K58 PolarHBondContact OD2-NZ 3.26Å |
| 55 | H | 79.2 | Confident | 75.5 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 30% | 0.296 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 179.6 | -85.6 | 72.9 | 0 | 0 | 0 | 112.3 | M41 Y51 F52 H57 K58 W59 | M41-H55 HydrophobicContact CE-CB 3.62Å; Y51-H55 AromaticContact CD1-ND1 3.95Å; Y51-H55 AromaticContact CD2-CE1 3.87Å; Y51-H55 AromaticContact CD2-ND1 3.8Å; Y51-H55 AromaticContact CE1-CE1 3.84Å; Y51-H55 AromaticContact CE1-ND1 3.61Å; Y51-H55 AromaticContact CE2-CE1 3.13Å; Y51-H55 WeakPolarHBondContact CE2-CE1 3.47Å; Y51-H55 AromaticContact CE2-ND1 3.46Å; Y51-H55 WeakPolarHBondContact CE2-ND1 3.49Å; Y51-H55 AromaticContact CZ-CE1 3.1Å; Y51-H55 AromaticContact CZ-ND1 3.36Å; Y51-H55 AromaticContact CZ-NE2 3.67Å; Y51-H55 PolarHBondContact O-N 3.36Å; Y51-H55 PolarHBondContact O-ND1 3.13Å; Y51-H55 PolarHBondContact OH-CE1 2.99Å; Y51-H55 PolarHBondContact OH-NE2 3.01Å; F52-H55 PolarHBondContact O-N 2.99Å; H55-H57 VanDerWaalsContact C-N 3.29Å; H55-H57 PolarHBondContact O-N 3.22Å; H55-K58 PolarHBondContact O-N 3.33Å; H55-W59 WeakPolarHBondContact O-CB 3.16Å; H55-W59 PolarHBondContact O-N 2.92Å |
| 56 | Y | 79.1 | Confident | 76.8 | Confident | 41 Ų | 41 | 82.4 Ų | 82.4 | 16% | 0.161 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 173.1 | 176.2 | -97.1 | 0 | 0 | 0 | 111.3 | N9 M41 F52 D54 W59 C60 | N9-Y56 WeakPolarHBondContact CB-OH 3.45Å; N9-Y56 PolarHBondContact OD1-OH 3.38Å; M41-Y56 HydrophobicContact SD-CD2 4.4Å; F52-Y56 VanDerWaalsContact O-CB 3.23Å; F52-Y56 WeakPolarHBondContact O-CB 3.43Å; F52-Y56 PolarHBondContact O-N 3.25Å; D54-Y56 PolarHBondContact O-N 3.46Å; Y56-W59 HydrophobicContact CD2-CE3 4.31Å; Y56-W59 HydrophobicContact CE2-CE3 4.07Å; Y56-W59 HydrophobicContact CE2-CZ3 4.17Å; Y56-W59 PolarHBondContact O-N 3.42Å; Y56-C60 WeakPolarHBondContact O-CB 3.37Å; Y56-C60 PolarHBondContact O-N 3.48Å |
| 57 | H | 83.1 | Confident | 77.7 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 18% | 0.181 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 177.1 | -166.6 | 47.6 | 0 | 0 | 0 | 112.3 | A4 S5 I53 D54 H55 W59 C60 I61 | A4-H57 VanDerWaalsContact C-CE1 3.41Å; A4-H57 PolarHBondContact O-CE1 3.05Å; A4-H57 PolarHBondContact O-ND1 3.39Å; S5-H57 WeakPolarHBondContact CA-ND1 3.44Å; S5-H57 WeakPolarHBondContact OG-CB 3.31Å; I53-H57 WeakPolarHBondContact O-CB 3.45Å; I53-H57 PolarHBondContact O-N 3.32Å; D54-H57 WeakPolarHBondContact O-CB 3.46Å; D54-H57 PolarHBondContact O-N 2.6Å; H55-H57 VanDerWaalsContact C-N 3.29Å; H55-H57 PolarHBondContact O-N 3.22Å; H57-W59 VanDerWaalsContact C-N 3.31Å; H57-W59 PolarHBondContact O-N 3.09Å; H57-C60 PolarHBondContact O-N 3.06Å; H57-I61 WeakPolarHBondContact O-CG1 3.3Å; H57-I61 PolarHBondContact O-N 3.14Å |
| 58 | K | 84.3 | Confident | 79 | Confident | 114 Ų | 114 | 66.4 Ų | 66.4 | 50% | 0.496 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 175.9 | -74.3 | 170.4 | 176.5 | 162.4 | 0 | 111.6 | D54 H55 I61 F62 | D54-K58 WeakPolarHBondContact O-CG 3.24Å; D54-K58 PolarHBondContact O-N 3.17Å; D54-K58 WeakPolarHBondContact OD2-CE 3.38Å; D54-K58 IonicContact OD2-NZ 3.85Å; D54-K58 PolarHBondContact OD2-NZ 3.26Å; H55-K58 PolarHBondContact O-N 3.33Å; K58-I61 PolarHBondContact O-N 3.05Å; K58-F62 WeakPolarHBondContact O-CB 3.48Å; K58-F62 PolarHBondContact O-N 3.45Å |
| 59 | W | 81.3 | Confident | 79.8 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 10% | 0.102 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 174.4 | 174 | 75.6 | 0 | 0 | 0 | 111.7 | S34 L37 H55 Y56 H57 I61 F62 Y63 | S34-W59 VanDerWaalsContact OG-CZ2 3.29Å; S34-W59 WeakPolarHBondContact OG-CZ2 3.45Å; L37-W59 HydrophobicContact CD2-CB 3.76Å; L37-W59 HydrophobicContact CD2-CD2 3.86Å; L37-W59 HydrophobicContact CD2-CG 3.19Å; H55-W59 WeakPolarHBondContact O-CB 3.16Å; H55-W59 PolarHBondContact O-N 2.92Å; Y56-W59 HydrophobicContact CD2-CE3 4.31Å; Y56-W59 HydrophobicContact CE2-CE3 4.07Å; Y56-W59 HydrophobicContact CE2-CZ3 4.17Å; Y56-W59 PolarHBondContact O-N 3.42Å; H57-W59 VanDerWaalsContact C-N 3.31Å; H57-W59 PolarHBondContact O-N 3.09Å; W59-I61 VanDerWaalsContact C-N 3.31Å; W59-I61 PolarHBondContact O-N 3.03Å; W59-F62 PolarHBondContact O-N 3.1Å; W59-Y63 AromaticContact CD1-CD2 3.27Å; W59-Y63 AromaticContact CD1-CE2 3.19Å; W59-Y63 HydrophobicContact CD2-CD2 4.1Å; W59-Y63 AromaticContact CE2-CD2 3.5Å; W59-Y63 AromaticContact CE2-CE2 3.79Å; W59-Y63 AromaticContact CE2-CG 3.91Å; W59-Y63 HydrophobicContact CG-CD2 4Å; W59-Y63 HydrophobicContact CG-CE2 4.29Å; W59-Y63 HydrophobicContact CZ2-CD1 4.26Å; W59-Y63 HydrophobicContact CZ2-CD2 4.04Å; W59-Y63 HydrophobicContact CZ2-CE2 4.42Å; W59-Y63 AromaticContact CZ2-CG 3.97Å; W59-Y63 HydrophobicContact CZ2-CG 3.97Å; W59-Y63 AromaticContact NE1-CD2 3.05Å; W59-Y63 AromaticContact NE1-CE2 2.89Å; W59-Y63 AromaticContact NE1-CG 3.84Å; W59-Y63 AromaticContact NE1-CZ 3.54Å; W59-Y63 WeakPolarHBondContact O-CD2 3.36Å; W59-Y63 PolarHBondContact O-N 3.42Å |
| 60 | C | 83.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | -178.5 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | C8 N9 Y56 H57 Y63 L64 | C8-C60 HydrophobicContact CB-CB 3.97Å; C8-C60 WeakPolarHBondContact CB-SG 2.98Å; C8-C60 PolarHBondContact O-SG 3.28Å; C8-C60 VanDerWaalsContact O-SG 3.41Å; C8-C60 WeakPolarHBondContact SG-CB 3.23Å; C8-C60 CovalentContact SG-SG 2.03Å; C8-C60 PolarHBondContact SG-SG 2.99Å; N9-C60 PolarHBondContact N-SG 3.13Å; N9-C60 VanDerWaalsContact N-SG 3.37Å; Y56-C60 WeakPolarHBondContact O-CB 3.37Å; Y56-C60 PolarHBondContact O-N 3.48Å; H57-C60 PolarHBondContact O-N 3.06Å; C60-Y63 PolarHBondContact O-N 3.22Å; C60-L64 VanDerWaalsContact O-CB 3.24Å; C60-L64 WeakPolarHBondContact O-CB 3.44Å; C60-L64 PolarHBondContact O-N 3.35Å |
| 61 | I | 86.8 | Confident | 80.6 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 35% | 0.354 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 176.7 | -69.5 | 168.3 | 0 | 0 | 0 | 110.8 | C8 H57 K58 W59 Y63 L64 Q65 | C8-I61 PolarHBondContact SG-N 2.9Å; H57-I61 WeakPolarHBondContact O-CG1 3.3Å; H57-I61 PolarHBondContact O-N 3.14Å; K58-I61 PolarHBondContact O-N 3.05Å; W59-I61 VanDerWaalsContact C-N 3.31Å; W59-I61 PolarHBondContact O-N 3.03Å; I61-Y63 VanDerWaalsContact C-N 3.35Å; I61-Y63 PolarHBondContact O-N 3.34Å; I61-L64 PolarHBondContact O-N 3.42Å; I61-Q65 WeakPolarHBondContact O-CG 2.98Å; I61-Q65 PolarHBondContact O-N 3.43Å |
| 62 | F | 84.5 | Confident | 80.9 | Confident | 105 Ų | 105 | 57.1 Ų | 57.1 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.5 | -47.7 | -179 | -179.9 | -92.9 | 0 | 0 | 0 | 111.6 | K58 W59 Q65 H66 | K58-F62 WeakPolarHBondContact O-CB 3.48Å; K58-F62 PolarHBondContact O-N 3.45Å; W59-F62 PolarHBondContact O-N 3.1Å; F62-Q65 PolarHBondContact O-N 3.31Å; F62-H66 AromaticContact CD1-CD2 3.88Å; F62-H66 AromaticContact CE1-CD2 3.47Å; F62-H66 VanDerWaalsContact CE1-CD2 3.47Å; F62-H66 WeakPolarHBondContact CE1-CD2 3.45Å; F62-H66 AromaticContact CE1-NE2 3.5Å; F62-H66 AromaticContact CE2-NE2 3.79Å; F62-H66 AromaticContact CZ-CD2 3.59Å; F62-H66 AromaticContact CZ-NE2 3.18Å; F62-H66 WeakPolarHBondContact CZ-NE2 3.43Å; F62-H66 PolarHBondContact O-CD2 3.02Å; F62-H66 PolarHBondContact O-N 3.37Å; F62-H66 VanDerWaalsContact O-N 3.14Å |
| 63 | Y | 79.3 | Confident | 81.1 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 15% | 0.153 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.7 | -34.5 | -179.1 | -84.2 | -99.3 | 0 | 0 | 0 | 113.2 | L30 P33 W59 C60 I61 Q65 H66 I67 | L30-Y63 HydrophobicContact CB-CD1 4.49Å; L30-Y63 HydrophobicContact CD2-CD1 3.79Å; L30-Y63 HydrophobicContact CD2-CE1 3.95Å; P33-Y63 HydrophobicContact CB-CE1 4.06Å; P33-Y63 WeakPolarHBondContact CB-OH 3.5Å; W59-Y63 AromaticContact CD1-CD2 3.27Å; W59-Y63 AromaticContact CD1-CE2 3.19Å; W59-Y63 HydrophobicContact CD2-CD2 4.1Å; W59-Y63 AromaticContact CE2-CD2 3.5Å; W59-Y63 AromaticContact CE2-CE2 3.79Å; W59-Y63 AromaticContact CE2-CG 3.91Å; W59-Y63 HydrophobicContact CG-CD2 4Å; W59-Y63 HydrophobicContact CG-CE2 4.29Å; W59-Y63 HydrophobicContact CZ2-CD1 4.26Å; W59-Y63 HydrophobicContact CZ2-CD2 4.04Å; W59-Y63 HydrophobicContact CZ2-CE2 4.42Å; W59-Y63 AromaticContact CZ2-CG 3.97Å; W59-Y63 HydrophobicContact CZ2-CG 3.97Å; W59-Y63 AromaticContact NE1-CD2 3.05Å; W59-Y63 AromaticContact NE1-CE2 2.89Å; W59-Y63 AromaticContact NE1-CG 3.84Å; W59-Y63 AromaticContact NE1-CZ 3.54Å; W59-Y63 WeakPolarHBondContact O-CD2 3.36Å; W59-Y63 PolarHBondContact O-N 3.42Å; C60-Y63 PolarHBondContact O-N 3.22Å; I61-Y63 VanDerWaalsContact C-N 3.35Å; I61-Y63 PolarHBondContact O-N 3.34Å; Y63-Q65 VanDerWaalsContact C-N 3.3Å; Y63-Q65 PolarHBondContact O-N 2.93Å; Y63-H66 PolarHBondContact O-N 3.05Å; Y63-I67 WeakPolarHBondContact O-CG1 3.13Å; Y63-I67 PolarHBondContact O-N 2.03Å |
| 64 | L | 83.1 | Confident | 80.9 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 172.8 | 179.5 | 63.1 | 0 | 0 | 0 | 110.9 | R11 C60 I61 I67 I68 | R11-L64 HydrophobicContact CB-CD1 4.31Å; R11-L64 HydrophobicContact CB-CD2 4.07Å; C60-L64 VanDerWaalsContact O-CB 3.24Å; C60-L64 WeakPolarHBondContact O-CB 3.44Å; C60-L64 PolarHBondContact O-N 3.35Å; I61-L64 PolarHBondContact O-N 3.42Å; L64-I67 PolarHBondContact O-N 3.41Å; L64-I68 HydrophobicContact CD1-CD1 4.28Å; L64-I68 HydrophobicContact CG-CD1 4.08Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.48Å; L64-I68 PolarHBondContact O-N 2.94Å; L64-I68 VanDerWaalsContact O-N 3.09Å |
| 65 | Q | 84.7 | Confident | 80.6 | Confident | 107 Ų | 107 | 61.6 Ų | 61.6 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.3 | -72.5 | 177.7 | -22.2 | 0 | 0 | 112.2 | I61 F62 Y63 I67 I68 H69 | I61-Q65 WeakPolarHBondContact O-CG 2.98Å; I61-Q65 PolarHBondContact O-N 3.43Å; F62-Q65 PolarHBondContact O-N 3.31Å; Y63-Q65 VanDerWaalsContact C-N 3.3Å; Y63-Q65 PolarHBondContact O-N 2.93Å; Q65-I67 VanDerWaalsContact C-N 3.35Å; Q65-I67 PolarHBondContact O-N 3.46Å; Q65-I68 PolarHBondContact O-N 3.49Å; Q65-H69 PolarHBondContact O-N 2.84Å |
| 66 | H | 80.9 | Confident | 80.5 | Confident | 91 Ų | 91 | 65.5 Ų | 65.5 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 176.9 | -92.7 | -87.7 | 0 | 0 | 0 | 112.9 | F62 Y63 F70 | F62-H66 AromaticContact CD1-CD2 3.88Å; F62-H66 AromaticContact CE1-CD2 3.47Å; F62-H66 VanDerWaalsContact CE1-CD2 3.47Å; F62-H66 WeakPolarHBondContact CE1-CD2 3.45Å; F62-H66 AromaticContact CE1-NE2 3.5Å; F62-H66 AromaticContact CE2-NE2 3.79Å; F62-H66 AromaticContact CZ-CD2 3.59Å; F62-H66 AromaticContact CZ-NE2 3.18Å; F62-H66 WeakPolarHBondContact CZ-NE2 3.43Å; F62-H66 PolarHBondContact O-CD2 3.02Å; F62-H66 PolarHBondContact O-N 3.37Å; F62-H66 VanDerWaalsContact O-N 3.14Å; Y63-H66 PolarHBondContact O-N 3.05Å; H66-F70 WeakPolarHBondContact O-CB 3.46Å; H66-F70 PolarHBondContact O-N 2.89Å |
| 67 | I | 76.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.9 | -69 | 164.2 | 0 | 0 | 0 | 111 | F12 T15 M16 T26 L30 Y63 L64 Q65 F70 N71 | F12-I67 HydrophobicContact CD2-CD1 3.47Å; F12-I67 VanDerWaalsContact CD2-CD1 3.47Å; F12-I67 HydrophobicContact CE2-CD1 3.13Å; F12-I67 HydrophobicContact CE2-CG1 4.41Å; F12-I67 HydrophobicContact CG-CD1 4.34Å; F12-I67 HydrophobicContact CZ-CD1 3.77Å; T15-I67 HydrophobicContact CG2-CB 4.47Å; T15-I67 HydrophobicContact CG2-CG2 3.53Å; M16-I67 HydrophobicContact CG-CD1 3.77Å; M16-I67 HydrophobicContact SD-CD1 3.61Å; M16-I67 HydrophobicContact SD-CG1 4.2Å; T26-I67 HydrophobicContact CG2-CG1 4.46Å; L30-I67 HydrophobicContact CD1-CD1 3.81Å; L30-I67 HydrophobicContact CD1-CG1 3.21Å; Y63-I67 WeakPolarHBondContact O-CG1 3.13Å; Y63-I67 PolarHBondContact O-N 2.03Å; L64-I67 PolarHBondContact O-N 3.41Å; Q65-I67 VanDerWaalsContact C-N 3.35Å; Q65-I67 PolarHBondContact O-N 3.46Å; I67-F70 PolarHBondContact O-N 3.39Å; I67-N71 WeakPolarHBondContact O-CB 3.34Å; I67-N71 VanDerWaalsContact O-CG 3.29Å; I67-N71 PolarHBondContact O-N 3.17Å |
| 68 | I | 83.3 | Confident | 79.1 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -52.8 | 179.1 | -68.5 | 165.8 | 0 | 0 | 0 | 109.7 | T15 L64 Q65 F70 N71 E72 | T15-I68 HydrophobicContact CG2-CG1 4.12Å; L64-I68 HydrophobicContact CD1-CD1 4.28Å; L64-I68 HydrophobicContact CG-CD1 4.08Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.48Å; L64-I68 PolarHBondContact O-N 2.94Å; L64-I68 VanDerWaalsContact O-N 3.09Å; Q65-I68 PolarHBondContact O-N 3.49Å; I68-F70 VanDerWaalsContact C-N 3.28Å; I68-F70 PolarHBondContact O-N 3.45Å; I68-N71 PolarHBondContact O-N 3.44Å; I68-E72 WeakPolarHBondContact O-CG 3.46Å; I68-E72 PolarHBondContact O-N 2.96Å |
| 69 | H | 82.2 | Confident | 77.7 | Confident | 118 Ų | 118 | 69.6 Ų | 69.6 | 55% | 0.546 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 177.6 | -68.7 | 160.8 | 0 | 0 | 0 | 112.8 | Q65 E72 A73 | Q65-H69 PolarHBondContact O-N 2.84Å; H69-E72 IonicContact CD2-OE2 3.79Å; H69-E72 PolarHBondContact O-N 3.28Å; H69-A73 VanDerWaalsContact O-CB 3.27Å; H69-A73 WeakPolarHBondContact O-CB 3.48Å; H69-A73 PolarHBondContact O-N 2.94Å |
| 70 | F | 76.8 | Confident | 76.4 | Confident | 64 Ų | 64 | 74 Ų | 74 | 28% | 0.281 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 176.6 | -179.8 | -109.2 | 0 | 0 | 0 | 111.5 | I25 T26 H66 I67 I68 E72 A73 I74 | I25-F70 HydrophobicContact CG2-CZ 3.77Å; T26-F70 HydrophobicContact CG2-CD1 4.4Å; T26-F70 HydrophobicContact CG2-CE1 4.49Å; T26-F70 WeakPolarHBondContact OG1-CE1 3.34Å; H66-F70 WeakPolarHBondContact O-CB 3.46Å; H66-F70 PolarHBondContact O-N 2.89Å; I67-F70 PolarHBondContact O-N 3.39Å; I68-F70 VanDerWaalsContact C-N 3.28Å; I68-F70 PolarHBondContact O-N 3.45Å; F70-E72 VanDerWaalsContact C-N 3.34Å; F70-E72 PolarHBondContact O-N 3.38Å; F70-A73 PolarHBondContact O-N 3.05Å; F70-I74 HydrophobicContact CD1-CD1 3.51Å; F70-I74 HydrophobicContact CD1-CG1 4.47Å; F70-I74 HydrophobicContact CD2-CD1 4.24Å; F70-I74 HydrophobicContact CD2-CG1 4.47Å; F70-I74 HydrophobicContact CE1-CD1 3.07Å; F70-I74 HydrophobicContact CE1-CG1 4.2Å; F70-I74 HydrophobicContact CE2-CD1 3.87Å; F70-I74 HydrophobicContact CE2-CG1 4.17Å; F70-I74 HydrophobicContact CG-CD1 4.08Å; F70-I74 HydrophobicContact CZ-CD1 3.28Å; F70-I74 HydrophobicContact CZ-CG1 4.03Å; F70-I74 VanDerWaalsContact O-CG1 3.25Å; F70-I74 WeakPolarHBondContact O-CG1 3.45Å; F70-I74 PolarHBondContact O-N 2.95Å |
| 71 | N | 75.1 | Confident | 74.8 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 13% | 0.134 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 175.5 | -74.8 | -17.8 | 0 | 0 | 0 | 111.1 | S19 I67 I68 A73 I74 E75 | S19-N71 WeakPolarHBondContact CB-OD1 3.27Å; S19-N71 VanDerWaalsContact OG-CG 3.24Å; S19-N71 PolarHBondContact OG-ND2 3.43Å; S19-N71 PolarHBondContact OG-OD1 3.44Å; I67-N71 WeakPolarHBondContact O-CB 3.34Å; I67-N71 VanDerWaalsContact O-CG 3.29Å; I67-N71 PolarHBondContact O-N 3.17Å; I68-N71 PolarHBondContact O-N 3.44Å; N71-A73 PolarHBondContact O-N 3.2Å; N71-I74 PolarHBondContact O-N 3.3Å; N71-E75 WeakPolarHBondContact O-CG 3.41Å; N71-E75 PolarHBondContact O-N 3.38Å |
| 72 | E | 81.6 | Confident | 73.1 | Confident | 89 Ų | 89 | 82.3 Ų | 82.3 | 42% | 0.416 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.4 | -71.9 | 175.1 | 177.7 | 0 | 0 | 112.4 | I68 H69 F70 I74 E75 K76 | I68-E72 WeakPolarHBondContact O-CG 3.46Å; I68-E72 PolarHBondContact O-N 2.96Å; H69-E72 IonicContact CD2-OE2 3.79Å; H69-E72 PolarHBondContact O-N 3.28Å; F70-E72 VanDerWaalsContact C-N 3.34Å; F70-E72 PolarHBondContact O-N 3.38Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.01Å; E72-E75 PolarHBondContact O-N 2.95Å; E72-K76 WeakPolarHBondContact O-CG 3.37Å; E72-K76 PolarHBondContact O-N 3.11Å |
| 73 | A | 78 | Confident | 71.4 | Confident | 49 Ų | 49 | 84.8 Ų | 84.8 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | H69 F70 N71 K76 V77 | H69-A73 VanDerWaalsContact O-CB 3.27Å; H69-A73 WeakPolarHBondContact O-CB 3.48Å; H69-A73 PolarHBondContact O-N 2.94Å; F70-A73 PolarHBondContact O-N 3.05Å; N71-A73 PolarHBondContact O-N 3.2Å; A73-K76 PolarHBondContact O-N 3.38Å; A73-V77 WeakPolarHBondContact O-CG2 3.34Å; A73-V77 PolarHBondContact O-N 3.34Å; A73-V77 VanDerWaalsContact O-N 3.08Å |
| 74 | I | 73.6 | Confident | 69.9 | Low | 20 Ų | 20 | 91.3 Ų | 91.3 | 10% | 0.103 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 177.2 | -65.9 | 165.4 | 0 | 0 | 0 | 111.9 | Y22 F70 N71 E72 K76 V77 G78 | Y22-I74 HydrophobicContact CD1-CD1 3.99Å; Y22-I74 HydrophobicContact CD1-CG2 4.04Å; Y22-I74 HydrophobicContact CD2-CB 4.41Å; Y22-I74 HydrophobicContact CD2-CD1 3.77Å; Y22-I74 HydrophobicContact CD2-CG2 3.55Å; Y22-I74 HydrophobicContact CE1-CG2 3.58Å; Y22-I74 HydrophobicContact CE2-CB 4.26Å; Y22-I74 HydrophobicContact CE2-CD1 4.39Å; Y22-I74 HydrophobicContact CE2-CG2 3.04Å; Y22-I74 HydrophobicContact CG-CD1 3.55Å; Y22-I74 HydrophobicContact CG-CG2 4.02Å; Y22-I74 VanDerWaalsContact OH-CG2 3.31Å; Y22-I74 WeakPolarHBondContact OH-CG2 3.39Å; F70-I74 HydrophobicContact CD1-CD1 3.51Å; F70-I74 HydrophobicContact CD1-CG1 4.47Å; F70-I74 HydrophobicContact CD2-CD1 4.24Å; F70-I74 HydrophobicContact CD2-CG1 4.47Å; F70-I74 HydrophobicContact CE1-CD1 3.07Å; F70-I74 HydrophobicContact CE1-CG1 4.2Å; F70-I74 HydrophobicContact CE2-CD1 3.87Å; F70-I74 HydrophobicContact CE2-CG1 4.17Å; F70-I74 HydrophobicContact CG-CD1 4.08Å; F70-I74 HydrophobicContact CZ-CD1 3.28Å; F70-I74 HydrophobicContact CZ-CG1 4.03Å; F70-I74 VanDerWaalsContact O-CG1 3.25Å; F70-I74 WeakPolarHBondContact O-CG1 3.45Å; F70-I74 PolarHBondContact O-N 2.95Å; N71-I74 PolarHBondContact O-N 3.3Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.01Å; I74-K76 PolarHBondContact O-N 3.39Å; I74-V77 CarbonylContact O-C 3.48Å; I74-V77 PolarHBondContact O-N 2.96Å; I74-G78 PolarHBondContact O-N 3.49Å |
| 75 | E | 76 | Confident | 68.4 | Low | 141 Ų | 141 | 96.9 Ų | 96.9 | 66% | 0.659 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.4 | -43.3 | 175.6 | -79.2 | -177 | 174.8 | 0 | 0 | 110.7 | N71 E72 V77 G78 Y79 | N71-E75 WeakPolarHBondContact O-CG 3.41Å; N71-E75 PolarHBondContact O-N 3.38Å; E72-E75 PolarHBondContact O-N 2.95Å; E75-V77 PolarHBondContact O-N 3.49Å; E75-G78 PolarHBondContact O-N 3.28Å; E75-Y79 WeakPolarHBondContact O-CB 3.22Å; E75-Y79 PolarHBondContact O-N 2.99Å |
| 76 | K | 76.3 | Confident | 66.6 | Low | 147 Ų | 147 | 98.6 Ų | 98.6 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 173.7 | -70.6 | 174.1 | -173.9 | 176.4 | 0 | 112.7 | E72 A73 I74 N80 | E72-K76 WeakPolarHBondContact O-CG 3.37Å; E72-K76 PolarHBondContact O-N 3.11Å; A73-K76 PolarHBondContact O-N 3.38Å; I74-K76 PolarHBondContact O-N 3.39Å; K76-N80 WeakPolarHBondContact O-CB 3.33Å; K76-N80 PolarHBondContact O-N 3.05Å |
| 77 | V | 70.6 | Confident | 64.7 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | A73 I74 E75 N80 K81 | A73-V77 WeakPolarHBondContact O-CG2 3.34Å; A73-V77 PolarHBondContact O-N 3.34Å; A73-V77 VanDerWaalsContact O-N 3.08Å; I74-V77 CarbonylContact O-C 3.48Å; I74-V77 PolarHBondContact O-N 2.96Å; E75-V77 PolarHBondContact O-N 3.49Å; V77-N80 PolarHBondContact O-N 3.25Å; V77-K81 PolarHBondContact O-N 3.45Å |
| 78 | G | 63 | Low | 64.1 | Low | 28 Ų | 28 | 110.8 Ų | 110.8 | 29% | 0.289 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I74 E75 N80 K81 T82 | I74-G78 PolarHBondContact O-N 3.49Å; E75-G78 PolarHBondContact O-N 3.28Å; G78-N80 VanDerWaalsContact C-N 3.3Å; G78-N80 PolarHBondContact O-N 3.21Å; G78-K81 PolarHBondContact O-N 3.1Å; G78-K81 VanDerWaalsContact O-N 3.13Å; G78-T82 PolarHBondContact O-N 3.48Å; G78-T82 PolarHBondContact O-OG1 3.21Å |
| 79 | Y | 54.1 | Low | 63.1 | Low | 164 Ų | 164 | 113.1 Ų | 113.1 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.1 | -38.2 | 175.4 | -123.9 | -96.3 | 0 | 0 | 0 | 112.2 | E75 K81 T82 F83 | E75-Y79 WeakPolarHBondContact O-CB 3.22Å; E75-Y79 PolarHBondContact O-N 2.99Å; Y79-K81 PolarHBondContact O-N 3.31Å; Y79-T82 PolarHBondContact O-N 3.43Å; Y79-T82 PolarHBondContact O-OG1 2.67Å; Y79-F83 HydrophobicContact CD1-CD2 4.12Å; Y79-F83 AromaticContact CD1-CE2 3.83Å; Y79-F83 HydrophobicContact CD1-CE2 3.83Å; Y79-F83 HydrophobicContact CE1-CD2 4.44Å; Y79-F83 AromaticContact CE1-CE2 3.69Å; Y79-F83 HydrophobicContact CE1-CE2 3.69Å; Y79-F83 PolarHBondContact O-N 3.42Å |
| 80 | N | 54.4 | Low | 62 | Low | 118 Ų | 118 | 112.8 Ų | 112.8 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.2 | -17.5 | 177.2 | -93.6 | -8.8 | 0 | 0 | 0 | 114.3 | K76 V77 G78 | K76-N80 WeakPolarHBondContact O-CB 3.33Å; K76-N80 PolarHBondContact O-N 3.05Å; V77-N80 PolarHBondContact O-N 3.25Å; G78-N80 VanDerWaalsContact C-N 3.3Å; G78-N80 PolarHBondContact O-N 3.21Å |
| 81 | K | 50.7 | Low | 61.2 | Low | 158 Ų | 158 | 115.6 Ų | 115.6 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -84.5 | -28.9 | 173.9 | -77.2 | -174.1 | 176.9 | -177.8 | 0 | 112.8 | V77 G78 Y79 | V77-K81 PolarHBondContact O-N 3.45Å; G78-K81 PolarHBondContact O-N 3.1Å; G78-K81 VanDerWaalsContact O-N 3.13Å; Y79-K81 PolarHBondContact O-N 3.31Å |
| 82 | T | 50.6 | Low | 60.3 | Low | 87 Ų | 87 | 121.3 Ų | 121.3 | 53% | 0.534 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.9 | -30.1 | 178.4 | 28.3 | 0 | 0 | 0 | 0 | 113.5 | G78 Y79 K84 | G78-T82 PolarHBondContact O-N 3.48Å; G78-T82 PolarHBondContact O-OG1 3.21Å; Y79-T82 PolarHBondContact O-N 3.43Å; Y79-T82 PolarHBondContact O-OG1 2.67Å; T82-K84 PolarHBondContact O-N 3.4Å |
| 83 | F | 48.6 | Very low | 58.9 | Low | 156 Ų | 156 | 123.5 Ų | 123.5 | 68% | 0.684 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 1.3 | 179.8 | -84.8 | -85.6 | 0 | 0 | 0 | 115.5 | Y79 | Y79-F83 HydrophobicContact CD1-CD2 4.12Å; Y79-F83 AromaticContact CD1-CE2 3.83Å; Y79-F83 HydrophobicContact CD1-CE2 3.83Å; Y79-F83 HydrophobicContact CE1-CD2 4.44Å; Y79-F83 AromaticContact CE1-CE2 3.69Å; Y79-F83 HydrophobicContact CE1-CE2 3.69Å; Y79-F83 PolarHBondContact O-N 3.42Å |
| 84 | K | 48.5 | Very low | 57.5 | Low | 177 Ų | 177 | 128.8 Ų | 128.8 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 3 | 179.2 | -81.8 | -168.8 | 174.2 | -172.4 | 0 | 114.7 | T82 | T82-K84 PolarHBondContact O-N 3.4Š|
| 85 | N | 51.7 | Low | 56.3 | Low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -116.3 | 4.2 | -177.7 | -80.9 | -3.4 | 0 | 0 | 0 | 114.6 | ||
| 86 | D | 46.6 | Very low | 54.6 | Low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | -116.2 | 11.2 | -175.8 | -78.2 | -19.5 | 0 | 0 | 0 | 114.9 | ||||
| 87 | D | 40.7 | Very low | 52.7 | Low | 236 Ų | 236 | 135.9 Ų | 135.9 | 100% | 1.262 | 69% | 0.686 | S | S | * | * | trans | -139.6 | 0 | 170.8 | -79.2 | -41.7 | 0 | 0 | 0 | 112.6 |
Retrieved 87 of 87 residues in 348.3 ms
(Link to these results)